A0A5K4FAG4_SCHMA Loading...

Enoyl-[acyl-carrier-protein] reductase, mitochondrial

AlphaFold DB , UniProt , Accession A0A5K4FAG4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 356 aa.

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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
1M33.5Very low43Very low242 Ų242130.3 Ų130.3100%1.19269%0.685SS**  093.80-75-179.7-163.900109.8
2L34.1Very low43.9Very low162 Ų162129.7 Ų129.785%0.84867%0.673SS**  trans-77.5121.6168.1-81.1150.8000107.8S4L2-S4 PolarHBondContact O-N 3.22Å
3R34Very low45.2Very low200 Ų200120.2 Ų120.276%0.75562%0.623SS**  trans-59.7133.8-176.7-72-178.8175.3-163.2-0.7110.5S5 F6R3-S5 PolarHBondContact O-N 3.45Å; R3-F6 HydrophobicContact CB-CD2 4.11Å; R3-F6 HydrophobicContact CB-CE2 4.35Å; R3-F6 PolarHBondContact O-N 3.34Å; R3-F6 VanDerWaalsContact O-N 3.17Å
4S44.3Very low46.1Very low117 Ų117117.6 Ų117.682%0.81861%0.61SS**G310 helixtrans-54.8-20.2-176.751.80000115.1L2 F6L2-S4 PolarHBondContact O-N 3.22Å; S4-F6 VanDerWaalsContact C-N 3.31Å; S4-F6 PolarHBondContact O-N 3.06Å
5S41.7Very low47Very low87 Ų87119.3 Ų119.361%0.60862%0.62SS**G310 helixtrans-75-11.5179.357.90000115.1R3 L7R3-S5 PolarHBondContact O-N 3.45Å; S5-L7 VanDerWaalsContact C-N 3.34Å; S5-L7 PolarHBondContact O-N 2.68Å
6F41.2Very low48Very low125 Ų125115.8 Ų115.855%0.54860%0.602SS.*G310 helixtrans-77.8-11.8-175.2-86.2-88.9000115.2R3 S4 C8R3-F6 HydrophobicContact CB-CD2 4.11Å; R3-F6 HydrophobicContact CB-CE2 4.35Å; R3-F6 PolarHBondContact O-N 3.34Å; R3-F6 VanDerWaalsContact O-N 3.17Å; S4-F6 VanDerWaalsContact C-N 3.31Å; S4-F6 PolarHBondContact O-N 3.06Å; F6-C8 VanDerWaalsContact C-N 3.28Å; F6-C8 PolarHBondContact O-N 3.28Å
7L44.4Very low49.1Very low47 Ų47110.4 Ų110.425%0.24657%0.573CS.*G310 helixtrans-88.813.6-173.3-63.6175.8000114.4S5 N9 W13 L16S5-L7 VanDerWaalsContact C-N 3.34Å; S5-L7 PolarHBondContact O-N 2.68Å; L7-N9 PolarHBondContact O-N 3.2Å; L7-W13 HydrophobicContact CD1-CE3 4.11Å; L7-W13 HydrophobicContact CD1-CZ3 3.83Å; L7-W13 HydrophobicContact CD2-CE3 3.54Å; L7-W13 HydrophobicContact CD2-CZ3 3.83Å; L7-W13 HydrophobicContact CG-CE3 4.28Å; L7-W13 HydrophobicContact CG-CZ3 4.41Å; L7-L16 HydrophobicContact CD2-CD1 4.34Å
8C46Very low50Low108 Ų108114.8 Ų114.873%0.7358%0.581SS**  trans-67.48.2-166.3-155.10000116.8F6F6-C8 VanDerWaalsContact C-N 3.28Å; F6-C8 PolarHBondContact O-N 3.28Å
9N47.5Very low51.3Low102 Ų102115.7 Ų115.755%0.54559%0.587SS.*  trans-150.7130.8-179.4-97.5-44.4000111.5L7 K11 K12 W13L7-N9 PolarHBondContact O-N 3.2Å; N9-K11 PolarHBondContact O-N 2.93Å; N9-K11 VanDerWaalsContact O-N 3.09Å; N9-K12 PolarHBondContact O-N 3.24Å; N9-W13 PolarHBondContact O-N 3Å; N9-W13 VanDerWaalsContact O-N 3.07Å
10S54.5Low53Low72 Ų72111.8 Ų111.850%0.50357%0.568SS.*Hα-helixtrans-49.9-36.8173.559.90000112K12 W13 N14S10-K12 PolarHBondContact O-N 3.09Å; S10-W13 PolarHBondContact O-N 3.08Å; S10-N14 WeakPolarHBondContact O-CB 3.26Å; S10-N14 PolarHBondContact O-N 3.09Å; S10-N14 PolarHBondContact O-ND2 3.4Å; S10-N14 PolarHBondContact O-OD1 3.16Å
11K52.2Low54.8Low171 Ų171110.6 Ų110.674%0.74356%0.56SS**Hα-helixtrans-60.4-37.3174.6-72.6-172.7177.1-178.80114.2N9N9-K11 PolarHBondContact O-N 2.93Å; N9-K11 VanDerWaalsContact O-N 3.09Å
12K53.4Low57.7Low123 Ų12399.4 Ų99.454%0.53551%0.506SS..Hα-helixtrans-83.2-36.8179.4-73.1-171.4178.5-177.80112N9 S10 N14 L15 L16N9-K12 PolarHBondContact O-N 3.24Å; S10-K12 PolarHBondContact O-N 3.09Å; K12-N14 PolarHBondContact O-N 2.74Å; K12-L15 PolarHBondContact O-N 2.88Å; K12-L15 VanDerWaalsContact O-N 3.1Å; K12-L16 PolarHBondContact O-N 2.72Å; K12-L16 VanDerWaalsContact O-N 3.11Å
13W60.6Low60.7Low6 Ų694.1 Ų94.12%0.02348%0.477CS..Hα-helixtrans-58.5-39.5169.7-177.4-98.3000111.2L7 N9 S10 L15 L16 H17 V20 V44 F47 L53L7-W13 HydrophobicContact CD1-CE3 4.11Å; L7-W13 HydrophobicContact CD1-CZ3 3.83Å; L7-W13 HydrophobicContact CD2-CE3 3.54Å; L7-W13 HydrophobicContact CD2-CZ3 3.83Å; L7-W13 HydrophobicContact CG-CE3 4.28Å; L7-W13 HydrophobicContact CG-CZ3 4.41Å; N9-W13 PolarHBondContact O-N 3Å; N9-W13 VanDerWaalsContact O-N 3.07Å; S10-W13 PolarHBondContact O-N 3.08Å; W13-L15 PolarHBondContact O-N 2.92Å; W13-L15 VanDerWaalsContact O-N 3.13Å; W13-L16 PolarHBondContact O-N 2.89Å; W13-L16 VanDerWaalsContact O-N 3.09Å; W13-H17 HydrophobicContact CD2-CB 4.46Å; W13-H17 HydrophobicContact CZ2-CB 3.97Å; W13-H17 WeakPolarHBondContact O-CB 3.28Å; W13-H17 PolarHBondContact O-N 3.11Å; W13-H17 PolarHBondContact O-ND1 3.4Å; W13-V20 HydrophobicContact CH2-CG2 4.22Å; W13-V44 HydrophobicContact CZ2-CG1 4.01Å; W13-F47 AromaticContact CD1-CD1 3.77Å; W13-F47 AromaticContact CD1-CE1 3.32Å; W13-F47 HydrophobicContact CD2-CE1 4.09Å; W13-F47 AromaticContact CG-CE1 3.73Å; W13-F47 HydrophobicContact CG-CE1 3.73Å; W13-F47 HydrophobicContact CG-CZ 4.5Å; W13-F47 AromaticContact NE1-CD1 3.55Å; W13-F47 AromaticContact NE1-CE1 3.48Å; W13-L53 HydrophobicContact CD2-CD2 4.46Å; W13-L53 HydrophobicContact CH2-CD2 3.22Å; W13-L53 HydrophobicContact CZ2-CD2 3.07Å; W13-L53 HydrophobicContact CZ2-CG 4.49Å; W13-L53 HydrophobicContact CZ3-CD2 3.97Å
14N58.2Low63.7Low84 Ų8484.9 Ų84.945%0.44944%0.443SS..Hα-helixtrans-58.3-26.1175.4-72.9-13.5000113.9S10 K12 H17S10-N14 WeakPolarHBondContact O-CB 3.26Å; S10-N14 PolarHBondContact O-N 3.09Å; S10-N14 PolarHBondContact O-ND2 3.4Å; S10-N14 PolarHBondContact O-OD1 3.16Å; K12-N14 PolarHBondContact O-N 2.74Å; N14-H17 PolarHBondContact O-CE1 2.76Å; N14-H17 PolarHBondContact O-ND1 3.01Å
15L59.5Low66.2Low144 Ų14479.3 Ų79.375%0.75440%0.404SS*.Hα-helixtrans-86.5-38.7171.5-9699.4000113.2K12 W13K12-L15 PolarHBondContact O-N 2.88Å; K12-L15 VanDerWaalsContact O-N 3.1Å; W13-L15 PolarHBondContact O-N 2.92Å; W13-L15 VanDerWaalsContact O-N 3.13Å
16L63Low68.9Low63 Ų6376.5 Ų76.533%0.3338%0.384SS..Hα-helixtrans-85.8-23.4-170.8-74.9159.1000114.3L7 K12 W13 R18 L19L7-L16 HydrophobicContact CD2-CD1 4.34Å; K12-L16 PolarHBondContact O-N 2.72Å; K12-L16 VanDerWaalsContact O-N 3.11Å; W13-L16 PolarHBondContact O-N 2.89Å; W13-L16 VanDerWaalsContact O-N 3.09Å; L16-R18 PolarHBondContact O-N 3.32Å; L16-R18 VanDerWaalsContact O-N 3.14Å; L16-L19 HydrophobicContact CD2-CD1 4.19Å; L16-L19 WeakPolarHBondContact O-CB 3.33Å; L16-L19 PolarHBondContact O-N 3.47Å
17H66.7Low71.6Confident23 Ų2370.7 Ų70.711%0.10636%0.358CS..G310 helixtrans-57.7-32.4-175.975.3-81.2000113W13 N14 L19 V20 V44W13-H17 HydrophobicContact CD2-CB 4.46Å; W13-H17 HydrophobicContact CZ2-CB 3.97Å; W13-H17 WeakPolarHBondContact O-CB 3.28Å; W13-H17 PolarHBondContact O-N 3.11Å; W13-H17 PolarHBondContact O-ND1 3.4Å; N14-H17 PolarHBondContact O-CE1 2.76Å; N14-H17 PolarHBondContact O-ND1 3.01Å; H17-L19 PolarHBondContact O-N 3.07Å; H17-L19 VanDerWaalsContact O-N 3.12Å; H17-V20 PolarHBondContact O-N 2.8Å; H17-V20 VanDerWaalsContact O-O 3.1Å; H17-V44 PolarHBondContact CD2-O 3.26Å; H17-V44 VanDerWaalsContact CD2-O 3.29Å
18R66Low74.2Confident190 Ų19073.5 Ų73.572%0.71738%0.378SS*.G310 helixtrans-62.5-18.8177.3-64.4-172.9178.5-176.4-0.9113.5L16L16-R18 PolarHBondContact O-N 3.32Å; L16-R18 VanDerWaalsContact O-N 3.14Å
19L74.8Confident76.6Confident133 Ų13374 Ų7470%0.69637%0.369SS*.G310 helixtrans-93.3-18.1177.6-58.6176.1000112.3L16 H17L16-L19 HydrophobicContact CD2-CD1 4.19Å; L16-L19 WeakPolarHBondContact O-CB 3.33Å; L16-L19 PolarHBondContact O-N 3.47Å; H17-L19 PolarHBondContact O-N 3.07Å; H17-L19 VanDerWaalsContact O-N 3.12Å
20V84.1Confident79Confident36 Ų3672.4 Ų72.422%0.21836%0.358CS..PPolyproline II helixtrans-93.6121-179.6-173.40000108.5W13 H17 V44 Y120W13-V20 HydrophobicContact CH2-CG2 4.22Å; H17-V20 PolarHBondContact O-N 2.8Å; H17-V20 VanDerWaalsContact O-O 3.1Å; V20-V44 HydrophobicContact CB-CG2 4.28Å; V20-V44 HydrophobicContact CG1-CG2 3.81Å; V20-V44 PolarHBondContact O-N 3.37Å; V20-Y120 HydrophobicContact CG1-CD2 4.35Å; V20-Y120 HydrophobicContact CG1-CE2 3.63Å
21H90.9Very high81Confident87 Ų8770 Ų7040%0.40335%0.345SS..EExtended strand (participates in β ladder)trans-103.9139.4175.1-70.262.2000110S41 T42H21-S41 WeakPolarHBondContact CB-OG 3.37Å; H21-T42 CarbonylContact C-O 3.55Å; H21-T42 VanDerWaalsContact CA-O 3.25Å; H21-T42 WeakPolarHBondContact CA-O 3.41Å
22S94.1Very high83.1Confident8 Ų865.2 Ų65.26%0.05633%0.328CS..EExtended strand (participates in β ladder)trans-89.2122.4164.4-163.30000108.6S41 T42 T119 Y120S22-S41 WeakPolarHBondContact O-CA 3.16Å; S22-T42 PolarHBondContact N-O 3.14Å; S22-T42 PolarHBondContact O-N 3.5Å; S22-T119 WeakPolarHBondContact CA-OG1 3.48Å; S22-Y120 PolarHBondContact OG-N 3.12Å
23E96.6Very high85.2Confident51 Ų5159.4 Ų59.424%0.23830%0.302CS..EExtended strand (participates in β ladder)trans-91.1138.9170.1-57.2-174.915300108.4F39 S40 Q118 T119 F327 K328E23-F39 HydrophobicContact CB-CE2 3.77Å; E23-F39 HydrophobicContact CB-CZ 3.78Å; E23-F39 HydrophobicContact CG-CE2 4.22Å; E23-F39 HydrophobicContact CG-CZ 3.76Å; E23-S40 CarbonylContact C-O 3.45Å; E23-S40 WeakPolarHBondContact CA-O 3.46Å; E23-Q118 CarbonylContact O-C 3.57Å; E23-Q118 WeakPolarHBondContact O-CA 3.33Å; E23-Q118 WeakPolarHBondContact O-CB 3.34Å; E23-T119 HydrophobicContact CB-CG2 3.93Å; E23-T119 PolarHBondContact N-OG1 3.16Å; E23-T119 PolarHBondContact O-N 2.86Å; E23-F327 HydrophobicContact CB-CE1 3.88Å; E23-K328 IonicContact OE1-NZ 2.77Å; E23-K328 PolarHBondContact OE1-NZ 2.87Å; E23-K328 WeakPolarHBondContact OE2-CE 3.41Å; E23-K328 IonicContact OE2-NZ 2.89Å; E23-K328 PolarHBondContact OE2-NZ 2.79Å
24A97.5Very high86.9Confident5 Ų562.9 Ų62.94%0.04132%0.319CS..EExtended strand (participates in β ladder)trans-147153.3-173.300000111.6T26 S40 V82 W117 Q118A24-T26 HydrophobicContact CB-CG2 4.12Å; A24-S40 PolarHBondContact N-O 3.22Å; A24-S40 PolarHBondContact O-N 3.42Å; A24-S40 PolarHBondContact O-OG 3.36Å; A24-V82 HydrophobicContact CB-CG1 4.14Å; A24-V82 HydrophobicContact CB-CG2 4.15Å; A24-W117 CarbonylContact C-O 3.56Å; A24-W117 WeakPolarHBondContact CA-O 3.43Å; A24-Q118 HydrophobicContact CB-CB 3.63Å
25I98.1Very high88.8Confident0 Ų064.8 Ų64.80%033%0.325CS..EExtended strand (participates in β ladder)trans-99.9115.8167.2-50.3-49.8000108.3L37 R38 F39 A83 W117 F327 W330I25-L37 HydrophobicContact CG2-CB 3.86Å; I25-L37 HydrophobicContact CG2-CD1 4.13Å; I25-L37 HydrophobicContact CG2-CD2 3.78Å; I25-L37 HydrophobicContact CG2-CG 4.14Å; I25-R38 CarbonylContact C-O 3.57Å; I25-R38 WeakPolarHBondContact CA-O 3.43Å; I25-F39 HydrophobicContact CD1-CB 4.35Å; I25-F39 HydrophobicContact CD1-CD2 4.01Å; I25-A83 PolarHBondContact O-N 2.88Å; I25-W117 HydrophobicContact CB-CB 4.22Å; I25-W117 HydrophobicContact CB-CE3 4.21Å; I25-W117 HydrophobicContact CG1-CB 4.35Å; I25-W117 HydrophobicContact CG2-CE3 4.24Å; I25-W117 PolarHBondContact N-O 3.09Å; I25-F327 HydrophobicContact CD1-CE2 4.11Å; I25-F327 HydrophobicContact CD1-CZ 3.84Å; I25-F327 HydrophobicContact CG1-CE2 3.68Å; I25-F327 HydrophobicContact CG1-CZ 3.78Å; I25-W330 HydrophobicContact CD1-CB 4.27Å; I25-W330 VanDerWaalsContact CD1-CD1 3.41Å; I25-W330 HydrophobicContact CD1-CD2 3.64Å; I25-W330 HydrophobicContact CD1-CE3 4.44Å; I25-W330 HydrophobicContact CD1-CG 3.52Å; I25-W330 HydrophobicContact CD1-CZ2 4.29Å; I25-W330 HydrophobicContact CG1-CB 4.27Å; I25-W330 HydrophobicContact CG1-CD2 4.03Å; I25-W330 HydrophobicContact CG1-CE3 4.45Å; I25-W330 HydrophobicContact CG1-CG 3.95Å; I25-W330 HydrophobicContact CG2-CD2 4.24Å; I25-W330 HydrophobicContact CG2-CE3 3.97Å; I25-W330 HydrophobicContact CG2-CH2 4.25Å; I25-W330 HydrophobicContact CG2-CZ2 4.5Å; I25-W330 HydrophobicContact CG2-CZ3 3.99Å
26T97.9Very high90.7Very high29 Ų2958.4 Ų58.418%0.17829%0.292CS..EExtended strand (participates in β ladder)trans-123.3163-170.653.50000112.3A24 L37 R38 S40 A81 V82A24-T26 HydrophobicContact CB-CG2 4.12Å; T26-L37 CarbonylContact O-C 3.56Å; T26-L37 WeakPolarHBondContact O-CA 3.43Å; T26-R38 PolarHBondContact N-O 2.95Å; T26-R38 PolarHBondContact O-N 3.48Å; T26-R38 PolarHBondContact OG1-O 2.81Å; T26-S40 WeakPolarHBondContact CG2-OG 3.36Å; T26-S40 PolarHBondContact OG1-OG 3.25Å; T26-A81 CarbonylContact C-O 3.42Å; T26-A81 WeakPolarHBondContact CA-O 3.4Å; T26-A81 WeakPolarHBondContact CB-O 3.42Å; T26-V82 HydrophobicContact CG2-CB 4.49Å; T26-V82 HydrophobicContact CG2-CG2 3.88Å
27Y97.9Very high92.4Very high3 Ų355.4 Ų55.41%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-148.3141.4177.160.7-66.2000110E29 L37 I69 P77 L79 P80 A81 A83Y27-E29 WeakPolarHBondContact CD2-O 3.38Å; Y27-L37 HydrophobicContact CD1-CD2 4.09Å; Y27-L37 HydrophobicContact CG-CD2 4.31Å; Y27-I69 HydrophobicContact CD2-CG2 4.36Å; Y27-I69 HydrophobicContact CE1-CG1 4.4Å; Y27-P77 WeakPolarHBondContact OH-CG 3.46Å; Y27-L79 HydrophobicContact CD2-CD2 3.69Å; Y27-L79 HydrophobicContact CE2-CD2 3.49Å; Y27-L79 VanDerWaalsContact CE2-CD2 3.49Å; Y27-L79 HydrophobicContact CG-CD2 4.45Å; Y27-P80 WeakPolarHBondContact O-CA 3.4Å; Y27-A81 HydrophobicContact CD1-CB 4.33Å; Y27-A81 VanDerWaalsContact CD1-O 3.29Å; Y27-A81 WeakPolarHBondContact CD1-O 3.33Å; Y27-A81 HydrophobicContact CE1-CB 3.64Å; Y27-A81 PolarHBondContact N-O 2.98Å; Y27-A81 PolarHBondContact O-N 2.85Å; Y27-A83 HydrophobicContact CD1-CB 4.27Å; Y27-A83 HydrophobicContact CE1-CB 4.19Å
28T97.9Very high93.9Very high106 Ų10660.6 Ų60.665%0.6530%0.295SS*.SBendtrans-105.4-11.5-17750.80000112.9P80T28-P80 HydrophobicContact CG2-CB 4.03Å
29E97.7Very high95.4Very high119 Ų11955.4 Ų55.456%0.55628%0.278SS*.SBendtrans-147.9157.1179.765.4-173.5171.400109.8Y27 V36Y27-E29 WeakPolarHBondContact CD2-O 3.38Å; E29-V36 HydrophobicContact CG-CB 4.39Å; E29-V36 HydrophobicContact CG-CG1 3.94Å
30H97.7Very high96.4Very high67 Ų6750.6 Ų50.631%0.3126%0.256SS..  trans-80.8142.2173.4-66.6-64000110.7T68 I69H30-T68 PolarHBondContact ND1-O 3.23Å; H30-I69 VanDerWaalsContact CA-O 3.26Å; H30-I69 WeakPolarHBondContact CA-O 3.33Å; H30-I69 PolarHBondContact ND1-O 2.91Å; H30-I69 VanDerWaalsContact ND1-O 3.15Å
31G96.7Very high96.9Very high23 Ų2351.7 Ų51.724%0.23727%0.265CS..SBendtrans168.3-162.7177.800000113.2P33 I69 Q70G31-P33 WeakPolarHBondContact O-CD 3.2Å; G31-I69 PolarHBondContact N-O 3.42Å; G31-Q70 WeakPolarHBondContact O-CA 3.27Å; G31-Q70 VanDerWaalsContact O-CG 3.32Å; G31-Q70 WeakPolarHBondContact O-CG 3.3Å
32D96.8Very high96.9Very high70 Ų7050.9 Ų50.937%0.37427%0.266SS..  trans-56.9117.9173.2180-3.1000110.1E34 Q35 V36D32-E34 PolarHBondContact O-N 2.71Å; D32-E34 VanDerWaalsContact O-N 3.16Å; D32-E34 PolarHBondContact OD1-N 3.39Å; D32-E34 VanDerWaalsContact OD1-N 3.1Å; D32-Q35 HydrophobicContact CB-CB 4.18Å; D32-Q35 HydrophobicContact CB-CG 3.95Å; D32-Q35 WeakPolarHBondContact O-CA 3.27Å; D32-Q35 PolarHBondContact O-N 3.31Å; D32-V36 WeakPolarHBondContact O-CG2 3.34Å; D32-V36 PolarHBondContact O-N 3.25Å
33P97.2Very high96.7Very high0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-54.1-34.5-178.5-28.337.1000114.2G31 Q35 L37 I66 I69 Q70 L334G31-P33 WeakPolarHBondContact O-CD 3.2Å; P33-Q35 PolarHBondContact O-N 3.19Å; P33-L37 HydrophobicContact CB-CD1 3.91Å; P33-L37 HydrophobicContact CB-CG 4.45Å; P33-L37 VanDerWaalsContact O-CB 3.27Å; P33-L37 WeakPolarHBondContact O-CB 3.34Å; P33-L37 WeakPolarHBondContact O-CD1 3.45Å; P33-L37 VanDerWaalsContact O-CG 3.27Å; P33-L37 WeakPolarHBondContact O-CG 3.5Å; P33-L37 PolarHBondContact O-N 2.77Å; P33-I66 HydrophobicContact CG-CD1 4.38Å; P33-I66 HydrophobicContact CG-CG2 4.04Å; P33-I69 HydrophobicContact CB-CD1 4.38Å; P33-I69 HydrophobicContact CB-CG2 4.02Å; P33-I69 HydrophobicContact CG-CB 4.15Å; P33-I69 HydrophobicContact CG-CG2 3.86Å; P33-Q70 HydrophobicContact CG-CG 4.2Å; P33-L334 HydrophobicContact CB-CD1 3.9Å; P33-L334 HydrophobicContact CB-CD2 4.03Å; P33-L334 HydrophobicContact CB-CG 4.46Å
34E96.7Very high96.3Very high79 Ų7951.5 Ų51.537%0.36927%0.274SS..Hα-helixtrans-67.1-25.3178.2-68.5-172148.800111.9D32 L334 H335 L338D32-E34 PolarHBondContact O-N 2.71Å; D32-E34 VanDerWaalsContact O-N 3.16Å; D32-E34 PolarHBondContact OD1-N 3.39Å; D32-E34 VanDerWaalsContact OD1-N 3.1Å; E34-L334 HydrophobicContact CG-CD2 4Å; E34-H335 IonicContact OE1-CG 3.09Å; E34-H335 IonicContact OE1-ND1 2.74Å; E34-H335 PolarHBondContact OE1-ND1 3.09Å; E34-L338 HydrophobicContact CG-CD1 3.96Å; E34-L338 WeakPolarHBondContact OE1-CD1 3.35Å
35Q97.7Very high95.7Very high125 Ų12557.9 Ų57.958%0.58430%0.303SS*.Hα-helixtrans-97-32.7-177.7-57-60.2-900113.9D32 P33 R38D32-Q35 HydrophobicContact CB-CB 4.18Å; D32-Q35 HydrophobicContact CB-CG 3.95Å; D32-Q35 WeakPolarHBondContact O-CA 3.27Å; D32-Q35 PolarHBondContact O-N 3.31Å; P33-Q35 PolarHBondContact O-N 3.19Å; Q35-R38 VanDerWaalsContact O-CZ 3.24Å; Q35-R38 PolarHBondContact O-NH1 3.39Å; Q35-R38 PolarHBondContact O-NH2 3.2Å
36V98.2Very high95.1Very high10 Ų1061 Ų616%0.06132%0.323CS..Hα-helixtrans-97.4-23.6-173.6-55.70000114.1E29 D32 I69E29-V36 HydrophobicContact CG-CB 4.39Å; E29-V36 HydrophobicContact CG-CG1 3.94Å; D32-V36 WeakPolarHBondContact O-CG2 3.34Å; D32-V36 PolarHBondContact O-N 3.25Å; V36-I69 HydrophobicContact CG2-CG2 3.55Å
37L98.4Very high94.6Very high0 Ų061.1 Ų61.10%032%0.321CS..  trans-74.8138.1-178.1-69.5170.8000111.9I25 T26 Y27 P33 I69 A83 W117 W330 L334I25-L37 HydrophobicContact CG2-CB 3.86Å; I25-L37 HydrophobicContact CG2-CD1 4.13Å; I25-L37 HydrophobicContact CG2-CD2 3.78Å; I25-L37 HydrophobicContact CG2-CG 4.14Å; T26-L37 CarbonylContact O-C 3.56Å; T26-L37 WeakPolarHBondContact O-CA 3.43Å; Y27-L37 HydrophobicContact CD1-CD2 4.09Å; Y27-L37 HydrophobicContact CG-CD2 4.31Å; P33-L37 HydrophobicContact CB-CD1 3.91Å; P33-L37 HydrophobicContact CB-CG 4.45Å; P33-L37 VanDerWaalsContact O-CB 3.27Å; P33-L37 WeakPolarHBondContact O-CB 3.34Å; P33-L37 WeakPolarHBondContact O-CD1 3.45Å; P33-L37 VanDerWaalsContact O-CG 3.27Å; P33-L37 WeakPolarHBondContact O-CG 3.5Å; P33-L37 PolarHBondContact O-N 2.77Å; L37-I69 HydrophobicContact CD1-CD1 4Å; L37-I69 HydrophobicContact CD2-CD1 4.04Å; L37-I69 HydrophobicContact CD2-CG1 4.27Å; L37-I69 HydrophobicContact CD2-CG2 4.32Å; L37-I69 HydrophobicContact CG-CD1 4.4Å; L37-I69 HydrophobicContact CG-CG2 4.39Å; L37-A83 HydrophobicContact CD2-CB 3.84Å; L37-W117 HydrophobicContact CD1-CZ3 3.97Å; L37-W330 HydrophobicContact CB-CH2 3.68Å; L37-W330 HydrophobicContact CB-CZ3 3.65Å; L37-W330 HydrophobicContact CD1-CZ3 3.94Å; L37-W330 HydrophobicContact CG-CZ3 4.48Å; L37-L334 HydrophobicContact CD1-CD1 4.23Å; L37-L334 HydrophobicContact CD1-CD2 3.72Å
38R98.2Very high94.4Very high131 Ų13163 Ų6349%0.49434%0.337SS..EExtended strand (participates in β ladder)trans-130.7145.1178-62.6-66.4177.5-86.3-4.6110I25 T26 Q35I25-R38 CarbonylContact C-O 3.57Å; I25-R38 WeakPolarHBondContact CA-O 3.43Å; T26-R38 PolarHBondContact N-O 2.95Å; T26-R38 PolarHBondContact O-N 3.48Å; T26-R38 PolarHBondContact OG1-O 2.81Å; Q35-R38 VanDerWaalsContact O-CZ 3.24Å; Q35-R38 PolarHBondContact O-NH1 3.39Å; Q35-R38 PolarHBondContact O-NH2 3.2Å
39F97.9Very high94.3Very high81 Ų8161.5 Ų61.536%0.35533%0.325SS..EExtended strand (participates in β ladder)trans-78134.5166176.1-87.7000108.5E23 I25 F327E23-F39 HydrophobicContact CB-CE2 3.77Å; E23-F39 HydrophobicContact CB-CZ 3.78Å; E23-F39 HydrophobicContact CG-CE2 4.22Å; E23-F39 HydrophobicContact CG-CZ 3.76Å; I25-F39 HydrophobicContact CD1-CB 4.35Å; I25-F39 HydrophobicContact CD1-CD2 4.01Å; F39-F327 HydrophobicContact CE2-CE1 4.27Å
40S96.2Very high94.2Very high33 Ų3358.9 Ų58.923%0.23132%0.315CS..EExtended strand (participates in β ladder)trans-133.8151.4174.655.20000110.2E23 A24 T26E23-S40 CarbonylContact C-O 3.45Å; E23-S40 WeakPolarHBondContact CA-O 3.46Å; A24-S40 PolarHBondContact N-O 3.22Å; A24-S40 PolarHBondContact O-N 3.42Å; A24-S40 PolarHBondContact O-OG 3.36Å; T26-S40 WeakPolarHBondContact CG2-OG 3.36Å; T26-S40 PolarHBondContact OG1-OG 3.25Å
41S95.2Very high94.2Very high58 Ų5857.8 Ų57.841%0.40631%0.31SS..EExtended strand (participates in β ladder)trans-133.4123.4173.6-178.70000108.9H21 S22H21-S41 WeakPolarHBondContact CB-OG 3.37Å; S22-S41 WeakPolarHBondContact O-CA 3.16Å
42T91.4Very high94.1Very high71 Ų7156.7 Ų56.744%0.43630%0.299SS..EExtended strand (participates in β ladder)trans-132.6148.6-177.858.10000110.8H21 S22 V44H21-T42 CarbonylContact C-O 3.55Å; H21-T42 VanDerWaalsContact CA-O 3.25Å; H21-T42 WeakPolarHBondContact CA-O 3.41Å; S22-T42 PolarHBondContact N-O 3.14Å; S22-T42 PolarHBondContact O-N 3.5Å; T42-V44 PolarHBondContact O-N 2.91Å
43P89.9Confident94Very high64 Ų6453.4 Ų53.442%0.41628%0.281SS..EExtended strand (participates in β ladder)trans-58.2137.7174.5-23.733.5000111.7H45P43-H45 PolarHBondContact O-N 3.04Å
44V88.1Confident94Very high8 Ų853.4 Ų53.45%0.04828%0.281CS..PPolyproline II helixtrans-66.4121.9173.8176.30000108.8W13 H17 V20 T42 L53 Y120W13-V44 HydrophobicContact CZ2-CG1 4.01Å; H17-V44 PolarHBondContact CD2-O 3.26Å; H17-V44 VanDerWaalsContact CD2-O 3.29Å; V20-V44 HydrophobicContact CB-CG2 4.28Å; V20-V44 HydrophobicContact CG1-CG2 3.81Å; V20-V44 PolarHBondContact O-N 3.37Å; T42-V44 PolarHBondContact O-N 2.91Å; V44-L53 HydrophobicContact CG1-CD1 3.73Å; V44-L53 HydrophobicContact CG1-CD2 4.4Å; V44-Y120 HydrophobicContact CG2-CD2 3.72Å; V44-Y120 HydrophobicContact CG2-CE2 4.33Å; V44-Y120 HydrophobicContact CG2-CG 4.01Å
45H84.3Confident94Very high139 Ų13952.7 Ų52.764%0.64428%0.277SS*.PPolyproline II helixtrans-68.4149.8178.1-63.4-68.5000111.7P43 F47P43-H45 PolarHBondContact O-N 3.04Å; H45-F47 PolarHBondContact O-N 2.96Å
46P84.4Confident94Very high65 Ų6546.8 Ų46.842%0.42225%0.249SC..PPolyproline II helixtrans-56.9135.8168.8-22.333.2000111
47F88.7Confident93.9Very high31 Ų3147.6 Ų47.614%0.13626%0.255CS..PPolyproline II helixtrans-87146.6174.761.5-91000110.8W13 H45 E51 L53 A93 C94 C122W13-F47 AromaticContact CD1-CD1 3.77Å; W13-F47 AromaticContact CD1-CE1 3.32Å; W13-F47 HydrophobicContact CD2-CE1 4.09Å; W13-F47 AromaticContact CG-CE1 3.73Å; W13-F47 HydrophobicContact CG-CE1 3.73Å; W13-F47 HydrophobicContact CG-CZ 4.5Å; W13-F47 AromaticContact NE1-CD1 3.55Å; W13-F47 AromaticContact NE1-CE1 3.48Å; H45-F47 PolarHBondContact O-N 2.96Å; F47-E51 WeakPolarHBondContact CA-OE2 3.45Å; F47-E51 HydrophobicContact CB-CB 4.01Å; F47-L53 HydrophobicContact CD1-CB 4.04Å; F47-L53 HydrophobicContact CE1-CB 4.45Å; F47-A93 HydrophobicContact CD1-CB 4.46Å; F47-A93 HydrophobicContact CE1-CB 3.52Å; F47-A93 HydrophobicContact CE2-CB 4.4Å; F47-A93 HydrophobicContact CZ-CB 3.51Å; F47-C94 VanDerWaalsContact CE2-C 3.49Å; F47-C122 WeakPolarHBondContact CB-SG 3.38Å
48A93.2Very high93.9Very high43 Ų4347.6 Ų47.636%0.35526%0.255SS..  trans-77.6174.9177.700000112.7D50 E51A48-D50 PolarHBondContact O-N 3.15Å; A48-E51 HydrophobicContact CB-CB 4.45Å; A48-E51 HydrophobicContact CB-CG 3.91Å; A48-E51 PolarHBondContact N-OE2 2.99Å; A48-E51 PolarHBondContact O-N 3.27Å
49N95.4Very high93.9Very high74 Ų7441.3 Ų41.340%0.39623%0.232SC..THydrogen-bonded Turntrans-67.6-21.8-175-68.1-45.3000113.8G95 K96 N97N49-G95 CarbonylContact O-C 3.04Å; N49-G95 WeakPolarHBondContact O-CA 3.39Å; N49-K96 HydrophobicContact CB-CD 4.45Å; N49-K96 HydrophobicContact CB-CG 3.86Å; N49-K96 WeakPolarHBondContact ND2-CE 3.46Å; N49-K96 PolarHBondContact O-N 3.24Å; N49-K96 WeakPolarHBondContact OD1-CD 3.36Å; N49-K96 WeakPolarHBondContact OD1-CE 3.49Å; N49-K96 WeakPolarHBondContact OD1-CG 3.46Å; N49-N97 HydrophobicContact CB-CB 4.45Å; N49-N97 WeakPolarHBondContact O-CA 3.4Å; N49-N97 WeakPolarHBondContact O-CB 3.46Å; N49-N97 PolarHBondContact O-N 2.87Å
50D96.2Very high93.7Very high64 Ų6437.5 Ų37.534%0.34222%0.215SC..THydrogen-bonded Turntrans-102.76.3177.761.5-33.2000113A48 K124 A125A48-D50 PolarHBondContact O-N 3.15Å; D50-K124 VanDerWaalsContact OD2-CE 3.31Å; D50-K124 WeakPolarHBondContact OD2-CE 3.32Å; D50-K124 IonicContact OD2-NZ 3.21Å; D50-A125 PolarHBondContact O-N 3.43Å; D50-A125 VanDerWaalsContact O-N 3.11Å
51E96.5Very high93.7Very high45 Ų4536 Ų3621%0.2120%0.204CC..EExtended strand (participates in β ladder)trans-106.2155.5-176.3-65.6-173.8146.500112.7F47 A48 G95 V98 G123 K124F47-E51 WeakPolarHBondContact CA-OE2 3.45Å; F47-E51 HydrophobicContact CB-CB 4.01Å; A48-E51 HydrophobicContact CB-CB 4.45Å; A48-E51 HydrophobicContact CB-CG 3.91Å; A48-E51 PolarHBondContact N-OE2 2.99Å; A48-E51 PolarHBondContact O-N 3.27Å; E51-G95 PolarHBondContact O-N 3.4Å; E51-V98 WeakPolarHBondContact O-CG2 3.39Å; E51-G123 CarbonylContact C-O 3.55Å; E51-G123 VanDerWaalsContact CA-O 3.22Å; E51-G123 WeakPolarHBondContact CA-O 3.47Å; E51-G123 WeakPolarHBondContact CB-O 3.45Å; E51-K124 HydrophobicContact CG-CG 4.38Å
52I95.7Very high93.7Very high0 Ų033.3 Ų33.30%019%0.185CC..EExtended strand (participates in β ladder)trans-114.1149.1170.561.2173000110.2V54 I91 C94 V98 C122 G123 A125 F128I52-V54 HydrophobicContact CD1-CG2 3.86Å; I52-V54 HydrophobicContact CG1-CG2 4.08Å; I52-I91 HydrophobicContact CB-CG2 4.43Å; I52-I91 HydrophobicContact CD1-CD1 3.71Å; I52-I91 HydrophobicContact CD1-CG1 4.07Å; I52-I91 HydrophobicContact CG2-CD1 4.38Å; I52-C94 HydrophobicContact CG2-CB 4.48Å; I52-V98 HydrophobicContact CG2-CB 4.44Å; I52-V98 HydrophobicContact CG2-CG1 3.72Å; I52-V98 HydrophobicContact CG2-CG2 4Å; I52-C122 WeakPolarHBondContact O-CA 3.37Å; I52-G123 PolarHBondContact N-O 3.18Å; I52-G123 PolarHBondContact O-N 3.34Å; I52-A125 HydrophobicContact CG2-CB 4.15Å; I52-F128 HydrophobicContact CD1-CB 4.21Å; I52-F128 HydrophobicContact CD1-CD1 4.42Å; I52-F128 HydrophobicContact CD1-CD2 3.43Å; I52-F128 VanDerWaalsContact CD1-CD2 3.43Å; I52-F128 HydrophobicContact CD1-CE2 3.82Å; I52-F128 HydrophobicContact CD1-CG 3.77Å; I52-F128 HydrophobicContact CD1-CZ 4.46Å; I52-F128 HydrophobicContact CG1-CD2 3.74Å; I52-F128 HydrophobicContact CG1-CE2 3.64Å; I52-F128 HydrophobicContact CG1-CZ 4.36Å
53L95.4Very high93.7Very high0 Ų031.8 Ų31.80%018%0.176CC..EExtended strand (participates in β ladder)trans-106.3125.4168.3-17968.2000109.3W13 V44 F47 I92 A93 Y120 C122W13-L53 HydrophobicContact CD2-CD2 4.46Å; W13-L53 HydrophobicContact CH2-CD2 3.22Å; W13-L53 HydrophobicContact CZ2-CD2 3.07Å; W13-L53 HydrophobicContact CZ2-CG 4.49Å; W13-L53 HydrophobicContact CZ3-CD2 3.97Å; V44-L53 HydrophobicContact CG1-CD1 3.73Å; V44-L53 HydrophobicContact CG1-CD2 4.4Å; F47-L53 HydrophobicContact CD1-CB 4.04Å; F47-L53 HydrophobicContact CE1-CB 4.45Å; L53-I92 HydrophobicContact CB-CG1 4.22Å; L53-I92 HydrophobicContact CD2-CD1 3.55Å; L53-I92 HydrophobicContact CD2-CG1 3.83Å; L53-I92 HydrophobicContact CG-CD1 3.85Å; L53-I92 HydrophobicContact CG-CG1 3.76Å; L53-I92 WeakPolarHBondContact O-CG1 3.44Å; L53-I92 PolarHBondContact O-N 2.9Å; L53-A93 HydrophobicContact CB-CB 4.15Å; L53-A93 PolarHBondContact N-O 2.99Å; L53-A93 PolarHBondContact O-N 3.14Å; L53-Y120 HydrophobicContact CD1-CD1 4.42Å; L53-C122 HydrophobicContact CD1-CB 4.36Å
54V96Very high93.9Very high0 Ų030 Ų300%016%0.163CC..EExtended strand (participates in β ladder)trans-115.2125.2-176.5-175.60000108.8I52 K90 I91 V107 Y120 W121 F128I52-V54 HydrophobicContact CD1-CG2 3.86Å; I52-V54 HydrophobicContact CG1-CG2 4.08Å; V54-K90 CarbonylContact C-O 3.59Å; V54-K90 WeakPolarHBondContact CA-O 3.43Å; V54-I91 HydrophobicContact CG2-CG1 4.44Å; V54-V107 HydrophobicContact CB-CG2 4.39Å; V54-V107 HydrophobicContact CG1-CG2 3.76Å; V54-V107 HydrophobicContact CG2-CG2 3.66Å; V54-Y120 CarbonylContact O-C 3.54Å; V54-Y120 VanDerWaalsContact O-CA 3.24Å; V54-Y120 WeakPolarHBondContact O-CA 3.27Å; V54-W121 HydrophobicContact CB-CB 4.19Å; V54-W121 HydrophobicContact CB-CE3 4.22Å; V54-W121 HydrophobicContact CG1-CE3 3.87Å; V54-W121 HydrophobicContact CG1-CZ3 4.34Å; V54-W121 PolarHBondContact N-O 3.39Å; V54-W121 PolarHBondContact O-N 2.91Å; V54-F128 HydrophobicContact CG2-CE1 4.09Å; V54-F128 HydrophobicContact CG2-CZ 4.26Å
55K96.4Very high94.2Very high65 Ų6529.6 Ų29.628%0.28316%0.161SC..EExtended strand (participates in β ladder)trans-79.6115.3161.8-175-178179-1740107.4G89 K90 I92 Y120 E356K55-G89 CarbonylContact O-C 3.55Å; K55-G89 WeakPolarHBondContact O-CA 3.49Å; K55-K90 PolarHBondContact N-O 3.05Å; K55-K90 PolarHBondContact O-N 3.23Å; K55-I92 HydrophobicContact CB-CD1 4.42Å; K55-I92 HydrophobicContact CB-CG2 3.8Å; K55-Y120 HydrophobicContact CB-CD1 4.2Å; K55-Y120 HydrophobicContact CB-CE1 3.89Å; K55-Y120 HydrophobicContact CG-CD1 4.46Å; K55-Y120 HydrophobicContact CG-CE1 3.92Å; K55-E356 PolarHBondContact NZ-OXT 2.8Å
56V97.4Very high94.7Very high0 Ų023.6 Ų23.60%013%0.133CC..EExtended strand (participates in β ladder)trans-68.7138.8176-1720000108Q118 T119 W121 M355V56-Q118 VanDerWaalsContact CB-O 3.23Å; V56-Q118 WeakPolarHBondContact CB-O 3.45Å; V56-Q118 WeakPolarHBondContact CG2-O 3.5Å; V56-T119 PolarHBondContact N-O 2.99Å; V56-W121 HydrophobicContact CB-CZ2 4.25Å; V56-W121 HydrophobicContact CG1-CH2 3.97Å; V56-W121 HydrophobicContact CG1-CZ2 3.58Å; V56-W121 HydrophobicContact CG2-CD2 3.46Å; V56-W121 VanDerWaalsContact CG2-CD2 3.46Å; V56-W121 HydrophobicContact CG2-CE3 4.05Å; V56-W121 HydrophobicContact CG2-CG 3.77Å; V56-W121 HydrophobicContact CG2-CH2 4.16Å; V56-W121 HydrophobicContact CG2-CZ2 3.59Å; V56-W121 HydrophobicContact CG2-CZ3 4.37Å; V56-M355 HydrophobicContact CB-CG 4.04Å; V56-M355 HydrophobicContact CG1-CE 4.27Å; V56-M355 HydrophobicContact CG1-CG 3.8Å; V56-M355 WeakPolarHBondContact O-CB 3.41Å
57C97.8Very high95.2Very high27 Ų2722.1 Ų22.118%0.18212%0.122CC..EExtended strand (participates in β ladder)trans-110.3-40.8179.1-610000111A88 M137 M355C57-A88 PolarHBondContact N-O 3.5Å; C57-M137 HydrophobicContact CB-CB 4.06Å; C57-M137 HydrophobicContact CB-CG 3.72Å; C57-M137 HydrophobicContact CB-SD 3.93Å; C57-M355 PolarHBondContact O-N 3.18Å
58A97.9Very high95.5Very high0 Ų020.8 Ų20.80%012%0.116CC..EExtended strand (participates in β ladder)trans-146.9143.9-179.700000111.4G87 A88 M137 A141 V352 L353 I354A58-G87 CarbonylContact O-C 3.46Å; A58-G87 WeakPolarHBondContact O-CA 3.31Å; A58-A88 PolarHBondContact N-O 3.3Å; A58-A88 VanDerWaalsContact N-O 3.17Å; A58-A88 PolarHBondContact O-N 3.36Å; A58-M137 HydrophobicContact CB-CB 4.38Å; A58-A141 HydrophobicContact CB-CB 3.65Å; A58-V352 HydrophobicContact CB-CG1 3.88Å; A58-L353 CarbonylContact C-O 3.45Å; A58-L353 WeakPolarHBondContact CA-O 3.37Å; A58-I354 HydrophobicContact CB-CD1 4.06Å
59A97.2Very high95.7Very high0 Ų018.9 Ų18.90%010%0.1CC..EExtended strand (participates in β ladder)trans-136.5140.9173.900000111.1E86 L353 M355A59-E86 WeakPolarHBondContact CA-O 3.31Å; A59-L353 PolarHBondContact N-O 3.11Å; A59-L353 PolarHBondContact O-N 3.26Å; A59-M355 HydrophobicContact CB-CE 3.72Å
60L95.3Very high95.7Very high1 Ų118.1 Ų18.11%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-94.2149-176.1-153.168.4000111.2E86 W117 T142 K350 V352L60-E86 HydrophobicContact CB-CB 4.32Å; L60-E86 VanDerWaalsContact CD2-OE2 3.25Å; L60-E86 WeakPolarHBondContact CD2-OE2 3.31Å; L60-E86 PolarHBondContact N-O 3.07Å; L60-E86 VanDerWaalsContact N-O 3.09Å; L60-W117 PolarHBondContact O-NE1 3.39Å; L60-T142 HydrophobicContact CD1-CG2 3.92Å; L60-T142 HydrophobicContact CD2-CG2 3.89Å; L60-K350 HydrophobicContact CD1-CB 4.32Å; L60-V352 HydrophobicContact CD1-CB 4.35Å; L60-V352 HydrophobicContact CD1-CG2 3.57Å
61I95.8Very high95.6Very high2 Ų215.8 Ų15.81%0.019%0.085CC..  trans-104.1108.2166.2-51.1-175.1000109.3I66 W117 A333 S337 S351 L353I61-I66 HydrophobicContact CG2-CD1 4.26Å; I61-W117 HydrophobicContact CB-CZ2 3.97Å; I61-W117 HydrophobicContact CD1-CH2 4.4Å; I61-W117 HydrophobicContact CD1-CZ2 4.29Å; I61-W117 HydrophobicContact CG1-CH2 4.21Å; I61-W117 HydrophobicContact CG1-CZ2 3.64Å; I61-W117 HydrophobicContact CG2-CH2 3.92Å; I61-W117 HydrophobicContact CG2-CZ2 3.71Å; I61-A333 HydrophobicContact CD1-CB 3.68Å; I61-S337 WeakPolarHBondContact CB-OG 3.44Å; I61-S337 WeakPolarHBondContact CG2-OG 3.4Å; I61-S351 PolarHBondContact N-O 3.07Å; I61-S351 VanDerWaalsContact N-O 3.12Å; I61-L353 HydrophobicContact CD1-CD1 4.17Å; I61-L353 HydrophobicContact CD1-CD2 4.31Å; I61-L353 HydrophobicContact CD1-CG 4.19Å; I61-L353 HydrophobicContact CG1-CD1 4.2Å; I61-L353 HydrophobicContact CG1-CG 4.27Å
62N94.3Very high95.5Very high1 Ų118.5 Ų18.51%0.00510%0.101CC..  trans-104.2157.2176.5-69.6-68.3000111.6L64 D65 I66 E86 N146N62-L64 HydrophobicContact CB-CD2 3.53Å; N62-L64 HydrophobicContact CB-CG 3.88Å; N62-L64 PolarHBondContact O-N 3.29Å; N62-D65 WeakPolarHBondContact CA-OD2 3.09Å; N62-D65 WeakPolarHBondContact CB-OD2 3.47Å; N62-D65 PolarHBondContact N-OD2 3.42Å; N62-D65 WeakPolarHBondContact O-CB 3.23Å; N62-D65 PolarHBondContact O-N 3.26Å; N62-I66 PolarHBondContact O-N 3.37Å; N62-E86 PolarHBondContact ND2-OE2 2.84Å; N62-N146 PolarHBondContact OD1-ND2 2.66Å
63P92.8Very high95.3Very high38 Ų3820.2 Ų20.225%0.24711%0.108CC..Hα-helixtrans-54.6-33.9172-27.735.5000113.3D65 I66 D67 M265 K350P63-D65 VanDerWaalsContact C-N 3.26Å; P63-D65 PolarHBondContact O-N 2.75Å; P63-I66 WeakPolarHBondContact O-CB 3.27Å; P63-I66 PolarHBondContact O-N 2.78Å; P63-D67 PolarHBondContact O-N 3.16Å; P63-M265 HydrophobicContact CB-CE 4.22Å; P63-M265 HydrophobicContact CB-SD 4.29Å; P63-M265 HydrophobicContact CG-CE 4.27Å; P63-M265 HydrophobicContact CG-SD 4.48Å; P63-K350 VanDerWaalsContact CD-NZ 3.34Å
64L92.8Very high95.1Very high26 Ų2624.6 Ų24.614%0.13614%0.136CC..Hα-helixtrans-66.1-26.2176.471.2115.7000113.4N62 T68 Y73 N85 I145N62-L64 HydrophobicContact CB-CD2 3.53Å; N62-L64 HydrophobicContact CB-CG 3.88Å; N62-L64 PolarHBondContact O-N 3.29Å; L64-T68 WeakPolarHBondContact O-CB 3.31Å; L64-T68 PolarHBondContact O-N 3.04Å; L64-T68 PolarHBondContact O-OG1 3.4Å; L64-Y73 HydrophobicContact CB-CD2 4.41Å; L64-Y73 HydrophobicContact CB-CE2 4.05Å; L64-N85 HydrophobicContact CD1-CB 3.68Å; L64-N85 VanDerWaalsContact CD1-CG 3.48Å; L64-I145 HydrophobicContact CD1-CD1 4.04Å; L64-I145 HydrophobicContact CD2-CD1 3.71Å; L64-I145 HydrophobicContact CD2-CG2 3.79Å; L64-I145 HydrophobicContact CG-CD1 4.45Å
65D95.3Very high94.7Very high1 Ų126.4 Ų26.41%0.00515%0.145CC..Hα-helixtrans-68.3-44.4174.8-60.5-58.2000109.3N62 P63 T68 I69 G84 N85 W117N62-D65 WeakPolarHBondContact CA-OD2 3.09Å; N62-D65 WeakPolarHBondContact CB-OD2 3.47Å; N62-D65 PolarHBondContact N-OD2 3.42Å; N62-D65 WeakPolarHBondContact O-CB 3.23Å; N62-D65 PolarHBondContact O-N 3.26Å; P63-D65 VanDerWaalsContact C-N 3.26Å; P63-D65 PolarHBondContact O-N 2.75Å; D65-T68 PolarHBondContact O-N 2.89Å; D65-I69 VanDerWaalsContact O-CD1 3.3Å; D65-I69 WeakPolarHBondContact O-CD1 3.23Å; D65-I69 VanDerWaalsContact O-CG1 3.24Å; D65-I69 WeakPolarHBondContact O-CG1 3.21Å; D65-I69 PolarHBondContact O-N 3.1Å; D65-G84 VanDerWaalsContact OD1-CA 3.3Å; D65-G84 WeakPolarHBondContact OD1-CA 3.42Å; D65-N85 WeakPolarHBondContact OD1-CB 3.37Å; D65-N85 PolarHBondContact OD1-N 3.02Å; D65-N85 PolarHBondContact OD1-ND2 3Å; D65-W117 HydrophobicContact CB-CH2 4Å; D65-W117 HydrophobicContact CB-CZ2 3.59Å
66I95.3Very high94.4Very high12 Ų1229.8 Ų29.86%0.06216%0.16CC..Hα-helixtrans-58-49.8174.1-52.6-51.8000110.1P33 I61 N62 P63 T68 I69 Q70 L334 L338P33-I66 HydrophobicContact CG-CD1 4.38Å; P33-I66 HydrophobicContact CG-CG2 4.04Å; I61-I66 HydrophobicContact CG2-CD1 4.26Å; N62-I66 PolarHBondContact O-N 3.37Å; P63-I66 WeakPolarHBondContact O-CB 3.27Å; P63-I66 PolarHBondContact O-N 2.78Å; I66-T68 VanDerWaalsContact C-N 3.3Å; I66-T68 PolarHBondContact O-N 2.81Å; I66-I69 PolarHBondContact O-N 3.08Å; I66-Q70 WeakPolarHBondContact O-CB 3.45Å; I66-Q70 VanDerWaalsContact O-CG 3.3Å; I66-Q70 WeakPolarHBondContact O-CG 3.48Å; I66-Q70 PolarHBondContact O-N 3.22Å; I66-L334 HydrophobicContact CD1-CD1 3.54Å; I66-L338 HydrophobicContact CD1-CD2 4.14Å; I66-L338 HydrophobicContact CG1-CD2 4.5Å; I66-L338 HydrophobicContact CG2-CD2 4.12Å
67D94.1Very high94.2Very high34 Ų3431 Ų3118%0.18217%0.168CC..Hα-helixtrans-63.5-34.5177.9-74-38.7000112.7P63 G71 N72 Y73 R267P63-D67 PolarHBondContact O-N 3.16Å; D67-G71 PolarHBondContact O-N 3.35Å; D67-G71 VanDerWaalsContact O-N 3.15Å; D67-N72 HydrophobicContact CB-CB 4.37Å; D67-N72 PolarHBondContact O-N 2.65Å; D67-Y73 HydrophobicContact CB-CD2 4.43Å; D67-Y73 PolarHBondContact O-N 3.05Å; D67-R267 IonicContact OD1-CZ 3.37Å; D67-R267 IonicContact OD1-NH1 3.61Å; D67-R267 PolarHBondContact OD1-NH1 2.86Å; D67-R267 IonicContact OD1-NH2 2.72Å; D67-R267 PolarHBondContact OD1-NH2 3.34Å
68T95.5Very high94Very high4 Ų438.9 Ų38.93%0.02520%0.199CC..Hα-helixtrans-67.5-44.4176.8-59.20000111.1H30 L64 D65 I66 G71 Y73 P77H30-T68 PolarHBondContact ND1-O 3.23Å; L64-T68 WeakPolarHBondContact O-CB 3.31Å; L64-T68 PolarHBondContact O-N 3.04Å; L64-T68 PolarHBondContact O-OG1 3.4Å; D65-T68 PolarHBondContact O-N 2.89Å; I66-T68 VanDerWaalsContact C-N 3.3Å; I66-T68 PolarHBondContact O-N 2.81Å; T68-G71 PolarHBondContact O-N 3.49Å; T68-Y73 WeakPolarHBondContact OG1-CD1 3.33Å; T68-P77 HydrophobicContact CG2-CG 4.04Å
69I96.7Very high93.9Very high2 Ų241.4 Ų41.41%0.0121%0.212CC..Hα-helixtrans-64.5-43.3177.7-65.2155.2000110.3Y27 H30 G31 P33 V36 L37 D65 I66 G71 A83 W117Y27-I69 HydrophobicContact CD2-CG2 4.36Å; Y27-I69 HydrophobicContact CE1-CG1 4.4Å; H30-I69 VanDerWaalsContact CA-O 3.26Å; H30-I69 WeakPolarHBondContact CA-O 3.33Å; H30-I69 PolarHBondContact ND1-O 2.91Å; H30-I69 VanDerWaalsContact ND1-O 3.15Å; G31-I69 PolarHBondContact N-O 3.42Å; P33-I69 HydrophobicContact CB-CD1 4.38Å; P33-I69 HydrophobicContact CB-CG2 4.02Å; P33-I69 HydrophobicContact CG-CB 4.15Å; P33-I69 HydrophobicContact CG-CG2 3.86Å; V36-I69 HydrophobicContact CG2-CG2 3.55Å; L37-I69 HydrophobicContact CD1-CD1 4Å; L37-I69 HydrophobicContact CD2-CD1 4.04Å; L37-I69 HydrophobicContact CD2-CG1 4.27Å; L37-I69 HydrophobicContact CD2-CG2 4.32Å; L37-I69 HydrophobicContact CG-CD1 4.4Å; L37-I69 HydrophobicContact CG-CG2 4.39Å; D65-I69 VanDerWaalsContact O-CD1 3.3Å; D65-I69 WeakPolarHBondContact O-CD1 3.23Å; D65-I69 VanDerWaalsContact O-CG1 3.24Å; D65-I69 WeakPolarHBondContact O-CG1 3.21Å; D65-I69 PolarHBondContact O-N 3.1Å; I66-I69 PolarHBondContact O-N 3.08Å; I69-G71 PolarHBondContact O-N 2.89Å; I69-A83 HydrophobicContact CD1-CB 4.07Å; I69-A83 HydrophobicContact CG1-CB 4.28Å; I69-W117 HydrophobicContact CD1-CH2 3.98Å; I69-W117 HydrophobicContact CD1-CZ3 3.97Å
70Q95.8Very high93.8Very high59 Ų5946.2 Ų46.228%0.27624%0.244SC..THydrogen-bonded Turntrans-68-12.5176.4-70.8177.1-21.800114.1G31 P33 I66 N72G31-Q70 WeakPolarHBondContact O-CA 3.27Å; G31-Q70 VanDerWaalsContact O-CG 3.32Å; G31-Q70 WeakPolarHBondContact O-CG 3.3Å; P33-Q70 HydrophobicContact CG-CG 4.2Å; I66-Q70 WeakPolarHBondContact O-CB 3.45Å; I66-Q70 VanDerWaalsContact O-CG 3.3Å; I66-Q70 WeakPolarHBondContact O-CG 3.48Å; I66-Q70 PolarHBondContact O-N 3.22Å; Q70-N72 VanDerWaalsContact C-N 3.29Å; Q70-N72 PolarHBondContact OE1-ND2 3.35Å
71G94.8Very high93.9Very high14 Ų1446.6 Ų46.614%0.14425%0.247CC..THydrogen-bonded Turntrans78.711.7-177.200000114.4D67 T68 I69 K76D67-G71 PolarHBondContact O-N 3.35Å; D67-G71 VanDerWaalsContact O-N 3.15Å; T68-G71 PolarHBondContact O-N 3.49Å; I69-G71 PolarHBondContact O-N 2.89Å; G71-K76 WeakPolarHBondContact O-CE 3.42Å
72N93.1Very high93.9Very high103 Ų10348.3 Ų48.355%0.55126%0.257SS*.  trans-87.4-17178.9-68.7-32.8000113D67 Q70D67-N72 HydrophobicContact CB-CB 4.37Å; D67-N72 PolarHBondContact O-N 2.65Å; Q70-N72 VanDerWaalsContact C-N 3.29Å; Q70-N72 PolarHBondContact OE1-ND2 3.35Å
73Y91.8Very high94.1Very high35 Ų3548.3 Ų48.314%0.13726%0.258CS..SBendtrans-81.2145.8177.9-161-116.2000111.7L64 D67 T68 I75 W288 S290L64-Y73 HydrophobicContact CB-CD2 4.41Å; L64-Y73 HydrophobicContact CB-CE2 4.05Å; D67-Y73 HydrophobicContact CB-CD2 4.43Å; D67-Y73 PolarHBondContact O-N 3.05Å; T68-Y73 WeakPolarHBondContact OG1-CD1 3.33Å; Y73-I75 HydrophobicContact CD1-CB 3.95Å; Y73-I75 HydrophobicContact CE1-CB 4.11Å; Y73-I75 HydrophobicContact CE1-CD1 4.23Å; Y73-I75 HydrophobicContact CE1-CG1 4.27Å; Y73-I75 PolarHBondContact O-N 2.9Å; Y73-W288 HydrophobicContact CE1-CZ2 4.37Å; Y73-W288 AromaticContact CZ-NE1 3.63Å; Y73-W288 PolarHBondContact OH-NE1 3.14Å; Y73-S290 PolarHBondContact OH-OG 2.98Å
74P91.3Very high94.2Very high93 Ų9346.7 Ų46.760%0.60425%0.248SC*.SBendtrans-60.9-28.2-178.7-27.236.1000114.7W288P74-W288 HydrophobicContact CB-CH2 4.09Å; P74-W288 HydrophobicContact CB-CZ2 4.4Å
75I88Confident94.3Very high37 Ų3746.2 Ų46.219%0.1925%0.246CC..  trans-92.4120.2176.4-62.5174.3000108.6Y73 L112 A113 W288Y73-I75 HydrophobicContact CD1-CB 3.95Å; Y73-I75 HydrophobicContact CE1-CB 4.11Å; Y73-I75 HydrophobicContact CE1-CD1 4.23Å; Y73-I75 HydrophobicContact CE1-CG1 4.27Å; Y73-I75 PolarHBondContact O-N 2.9Å; I75-L112 HydrophobicContact CD1-CB 3.79Å; I75-L112 HydrophobicContact CD1-CD1 3.56Å; I75-L112 HydrophobicContact CD1-CG 4.19Å; I75-A113 HydrophobicContact CG2-CB 4Å; I75-W288 HydrophobicContact CD1-CH2 3.95Å; I75-W288 HydrophobicContact CD1-CZ2 3.51Å; I75-W288 HydrophobicContact CG1-CH2 3.83Å; I75-W288 HydrophobicContact CG1-CZ2 3.69Å
76K90.1Very high94.3Very high136 Ų13646.2 Ų46.259%0.59125%0.246SC*.  trans-113.7109.7177.2-63.9-177.6-178.4-178.20109.7G71G71-K76 WeakPolarHBondContact O-CE 3.42Å
77P91.6Very high94.4Very high25 Ų2545.7 Ų45.716%0.16224%0.243CC..PPolyproline II helixtrans-59.1149.2171-27.238.8000111.4Y27 T68 L79 A81 A113Y27-P77 WeakPolarHBondContact OH-CG 3.46Å; T68-P77 HydrophobicContact CG2-CG 4.04Å; P77-L79 PolarHBondContact O-N 3.09Å; P77-A81 HydrophobicContact CB-CB 3.66Å; P77-A113 HydrophobicContact CG-CB 3.66Å
78K94.1Very high94.5Very high193 Ų19344 Ų4484%0.83923%0.234SC*.PPolyproline II helixtrans-66.7127.1168.6-177.3179.3177.9-177.90108.6P80K78-P80 CarbonylContact O-C 3.58Å
79L96.3Very high94.6Very high53 Ų5343.9 Ų43.928%0.27723%0.233SC..SBendtrans-84.7147.3178.9-59.4173000111.1Y27 P77 A81Y27-L79 HydrophobicContact CD2-CD2 3.69Å; Y27-L79 HydrophobicContact CE2-CD2 3.49Å; Y27-L79 VanDerWaalsContact CE2-CD2 3.49Å; Y27-L79 HydrophobicContact CG-CD2 4.45Å; P77-L79 PolarHBondContact O-N 3.09Å; L79-A81 HydrophobicContact CD2-CB 4.04Å
80P96.1Very high94.7Very high101 Ų10147.2 Ų47.266%0.65625%0.247SC*.SBendcis-66.8144.3-6.729.4-34.9000112.1Y27 T28 K78Y27-P80 WeakPolarHBondContact O-CA 3.4Å; T28-P80 HydrophobicContact CG2-CB 4.03Å; K78-P80 CarbonylContact O-C 3.58Å
81A96.2Very high94.8Very high10 Ų1044.4 Ų44.48%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-127.1153.9-177.500000111.8T26 Y27 P77 L79T26-A81 CarbonylContact C-O 3.42Å; T26-A81 WeakPolarHBondContact CA-O 3.4Å; T26-A81 WeakPolarHBondContact CB-O 3.42Å; Y27-A81 HydrophobicContact CD1-CB 4.33Å; Y27-A81 VanDerWaalsContact CD1-O 3.29Å; Y27-A81 WeakPolarHBondContact CD1-O 3.33Å; Y27-A81 HydrophobicContact CE1-CB 3.64Å; Y27-A81 PolarHBondContact N-O 2.98Å; Y27-A81 PolarHBondContact O-N 2.85Å; P77-A81 HydrophobicContact CB-CB 3.66Å; L79-A81 HydrophobicContact CD2-CB 4.04Å
82V96.9Very high94.8Very high37 Ų3745.7 Ų45.722%0.22424%0.237CC..EExtended strand (participates in β ladder)trans-84.5136.6165.2-1790000108.2A24 T26 G115 Q118A24-V82 HydrophobicContact CB-CG1 4.14Å; A24-V82 HydrophobicContact CB-CG2 4.15Å; T26-V82 HydrophobicContact CG2-CB 4.49Å; T26-V82 HydrophobicContact CG2-CG2 3.88Å; V82-G115 VanDerWaalsContact CG1-O 3.29Å; V82-G115 WeakPolarHBondContact CG1-O 3.38Å; V82-G115 VanDerWaalsContact O-CA 3.3Å; V82-G115 WeakPolarHBondContact O-CA 3.46Å; V82-Q118 HydrophobicContact CG1-CB 4.04Å; V82-Q118 HydrophobicContact CG1-CG 4.22Å
83A97.3Very high94.8Very high2 Ų241 Ų412%0.01721%0.213CC..  trans-77.4163.8178.600000112.6I25 Y27 L37 I69 G115 T116 W117I25-A83 PolarHBondContact O-N 2.88Å; Y27-A83 HydrophobicContact CD1-CB 4.27Å; Y27-A83 HydrophobicContact CE1-CB 4.19Å; L37-A83 HydrophobicContact CD2-CB 3.84Å; I69-A83 HydrophobicContact CD1-CB 4.07Å; I69-A83 HydrophobicContact CG1-CB 4.28Å; A83-G115 CarbonylContact O-C 3.46Å; A83-G115 WeakPolarHBondContact O-CA 3.21Å; A83-T116 PolarHBondContact O-N 3.14Å; A83-T116 VanDerWaalsContact O-N 3.11Å; A83-W117 HydrophobicContact CB-CD2 3.94Å; A83-W117 HydrophobicContact CB-CE3 3.39Å; A83-W117 HydrophobicContact CB-CZ3 3.74Å; A83-W117 VanDerWaalsContact O-CB 3.3Å; A83-W117 WeakPolarHBondContact O-CB 3.41Å; A83-W117 PolarHBondContact O-N 3.49Å
84G96Very high95Very high4 Ų441.2 Ų41.24%0.04122%0.219CC..  trans96.5142.317600000114.8D65 G115 T116D65-G84 VanDerWaalsContact OD1-CA 3.3Å; D65-G84 WeakPolarHBondContact OD1-CA 3.42Å; G84-G115 VanDerWaalsContact O-CA 3.3Å; G84-G115 WeakPolarHBondContact O-CA 3.39Å; G84-G115 PolarHBondContact O-N 2.77Å; G84-T116 WeakPolarHBondContact CA-OG1 3.4Å; G84-T116 PolarHBondContact O-N 2.88Å
85N94.4Very high95.1Very high15 Ų1537.1 Ų37.18%0.0819%0.194CC..SBendtrans-116.9-16.6-179.9-76.2-96.9000113.6L64 D65 A113 S114 T116 I145L64-N85 HydrophobicContact CD1-CB 3.68Å; L64-N85 VanDerWaalsContact CD1-CG 3.48Å; D65-N85 WeakPolarHBondContact OD1-CB 3.37Å; D65-N85 PolarHBondContact OD1-N 3.02Å; D65-N85 PolarHBondContact OD1-ND2 3Å; N85-A113 WeakPolarHBondContact OD1-CA 3.42Å; N85-A113 PolarHBondContact OD1-N 3.27Å; N85-S114 PolarHBondContact O-OG 3.1Å; N85-T116 PolarHBondContact N-OG1 2.85Å; N85-I145 HydrophobicContact CB-CD1 4.06Å
86E94.7Very high95.5Very high2 Ų243 Ų431%0.00922%0.218CC..  trans-137140.8-169.8-162.3175.4-146.900112.2A59 L60 N62 T116 A141 A144 I145A59-E86 WeakPolarHBondContact CA-O 3.31Å; L60-E86 HydrophobicContact CB-CB 4.32Å; L60-E86 VanDerWaalsContact CD2-OE2 3.25Å; L60-E86 WeakPolarHBondContact CD2-OE2 3.31Å; L60-E86 PolarHBondContact N-O 3.07Å; L60-E86 VanDerWaalsContact N-O 3.09Å; N62-E86 PolarHBondContact ND2-OE2 2.84Å; E86-T116 PolarHBondContact N-OG1 3.49Å; E86-T116 VanDerWaalsContact N-OG1 3.08Å; E86-T116 WeakPolarHBondContact O-CB 3.42Å; E86-T116 PolarHBondContact O-OG1 3.48Å; E86-A141 VanDerWaalsContact CG-O 3.25Å; E86-A141 WeakPolarHBondContact CG-O 3.46Å; E86-A144 HydrophobicContact CG-CB 3.99Å; E86-A144 WeakPolarHBondContact OE1-CA 3.38Å; E86-A144 PolarHBondContact OE1-N 3.37Å; E86-I145 HydrophobicContact CB-CD1 3.81Å; E86-I145 HydrophobicContact CB-CG1 4.22Å; E86-I145 HydrophobicContact CG-CD1 4.28Å; E86-I145 HydrophobicContact CG-CG1 4.15Å; E86-I145 WeakPolarHBondContact OE1-CB 3.42Å; E86-I145 PolarHBondContact OE1-N 3.07Å
87G96.7Very high95.8Very high0 Ų041.3 Ų41.30%022%0.216CC..EExtended strand (participates in β ladder)trans175.1177.317600000112A58 I108A58-G87 CarbonylContact O-C 3.46Å; A58-G87 WeakPolarHBondContact O-CA 3.31Å; G87-I108 VanDerWaalsContact O-CG2 3.31Å; G87-I108 WeakPolarHBondContact O-CG2 3.29Å
88A97.8Very high96Very high0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-136.8150.1174.100000111.7C57 A58 V107 I108 A140 A141C57-A88 PolarHBondContact N-O 3.5Å; A58-A88 PolarHBondContact N-O 3.3Å; A58-A88 VanDerWaalsContact N-O 3.17Å; A58-A88 PolarHBondContact O-N 3.36Å; A88-V107 WeakPolarHBondContact CA-O 3.38Å; A88-I108 HydrophobicContact CB-CG2 3.97Å; A88-A140 HydrophobicContact CB-CB 3.56Å; A88-A141 HydrophobicContact CB-CB 4.23Å
89G97.8Very high95.9Very high0 Ų038.8 Ų38.80%021%0.21CC..EExtended strand (participates in β ladder)trans-151.1173.117800000113.3K55 T106 V107K55-G89 CarbonylContact O-C 3.55Å; K55-G89 WeakPolarHBondContact O-CA 3.49Å; G89-T106 CarbonylContact O-C 3.51Å; G89-T106 WeakPolarHBondContact O-CA 3.45Å; G89-V107 PolarHBondContact N-O 2.92Å; G89-V107 PolarHBondContact O-N 3.4Å
90K97.8Very high95.8Very high72 Ų7239.2 Ų39.231%0.31323%0.228SC..EExtended strand (participates in β ladder)trans-107.1131.8179-72.7-74.3-173.3-177.80110.5V54 K55 I92 G104 D105 T106V54-K90 CarbonylContact C-O 3.59Å; V54-K90 WeakPolarHBondContact CA-O 3.43Å; K55-K90 PolarHBondContact N-O 3.05Å; K55-K90 PolarHBondContact O-N 3.23Å; K90-I92 PolarHBondContact O-N 3.27Å; K90-G104 WeakPolarHBondContact CD-O 3.37Å; K90-G104 PolarHBondContact NZ-O 3.22Å; K90-D105 WeakPolarHBondContact CA-O 3.31Å; K90-T106 VanDerWaalsContact CE-OG1 3.3Å; K90-T106 WeakPolarHBondContact CE-OG1 3.48Å; K90-T106 PolarHBondContact NZ-OG1 2.77Å
91I97.2Very high95.8Very high1 Ų136 Ų361%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-64.5126.6171.8-57.6-172.3000108.9I52 V54 C94 F101 G104 D105 V107I52-I91 HydrophobicContact CB-CG2 4.43Å; I52-I91 HydrophobicContact CD1-CD1 3.71Å; I52-I91 HydrophobicContact CD1-CG1 4.07Å; I52-I91 HydrophobicContact CG2-CD1 4.38Å; V54-I91 HydrophobicContact CG2-CG1 4.44Å; I91-C94 VanDerWaalsContact CG2-SG 3.55Å; I91-F101 HydrophobicContact CD1-CB 3.76Å; I91-F101 HydrophobicContact CD1-CD1 3.68Å; I91-F101 HydrophobicContact CD1-CG 4.1Å; I91-G104 PolarHBondContact O-N 3.17Å; I91-D105 HydrophobicContact CD1-CB 3.98Å; I91-D105 HydrophobicContact CG1-CB 4.24Å; I91-D105 PolarHBondContact N-O 3.29Å; I91-V107 HydrophobicContact CD1-CG1 3.83Å; I91-V107 HydrophobicContact CG1-CG1 3.95Å; I91-V107 HydrophobicContact CG1-CG2 4.1Å
92I95.3Very high95.9Very high40 Ų4038.9 Ų38.921%0.20522%0.223CC..EExtended strand (participates in β ladder)trans-113.1-17.2177.259.2162000113.1L53 K55 K90 Y120L53-I92 HydrophobicContact CB-CG1 4.22Å; L53-I92 HydrophobicContact CD2-CD1 3.55Å; L53-I92 HydrophobicContact CD2-CG1 3.83Å; L53-I92 HydrophobicContact CG-CD1 3.85Å; L53-I92 HydrophobicContact CG-CG1 3.76Å; L53-I92 WeakPolarHBondContact O-CG1 3.44Å; L53-I92 PolarHBondContact O-N 2.9Å; K55-I92 HydrophobicContact CB-CD1 4.42Å; K55-I92 HydrophobicContact CB-CG2 3.8Å; K90-I92 PolarHBondContact O-N 3.27Å; I92-Y120 HydrophobicContact CD1-CD1 4.06Å; I92-Y120 HydrophobicContact CD1-CE1 3.67Å
93A94Very high95.8Very high5 Ų542.3 Ų42.34%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-154.1149.4170.700000111F47 L53F47-A93 HydrophobicContact CD1-CB 4.46Å; F47-A93 HydrophobicContact CE1-CB 3.52Å; F47-A93 HydrophobicContact CE2-CB 4.4Å; F47-A93 HydrophobicContact CZ-CB 3.51Å; L53-A93 HydrophobicContact CB-CB 4.15Å; L53-A93 PolarHBondContact N-O 2.99Å; L53-A93 PolarHBondContact O-N 3.14Å
94C95Very high95.8Very high39 Ų3944 Ų4426%0.26426%0.257SS..EExtended strand (participates in β ladder)trans-124.1141.3174.7-61.60000110F47 I52 I91 V98F47-C94 VanDerWaalsContact CE2-C 3.49Å; I52-C94 HydrophobicContact CG2-CB 4.48Å; I91-C94 VanDerWaalsContact CG2-SG 3.55Å; C94-V98 HydrophobicContact CB-CB 4.17Å; C94-V98 HydrophobicContact CB-CG1 4.32Å
95G94.7Very high95.9Very high7 Ų745.6 Ų45.67%0.07226%0.264CS..  trans-62.8153.5164.100000111.5N49 E51 N97 V98N49-G95 CarbonylContact O-C 3.04Å; N49-G95 WeakPolarHBondContact O-CA 3.39Å; E51-G95 PolarHBondContact O-N 3.4Å; G95-N97 PolarHBondContact O-N 3.37Å; G95-V98 WeakPolarHBondContact O-CB 3.36Å; G95-V98 PolarHBondContact O-N 3.18Å; G95-V98 VanDerWaalsContact O-N 3.11Å
96K95Very high96.1Very high162 Ų16245.6 Ų45.670%0.70427%0.265SS*.THydrogen-bonded Turntrans-64.9-18.2-17567.4180-167.4-175.40115N49N49-K96 HydrophobicContact CB-CD 4.45Å; N49-K96 HydrophobicContact CB-CG 3.86Å; N49-K96 WeakPolarHBondContact ND2-CE 3.46Å; N49-K96 PolarHBondContact O-N 3.24Å; N49-K96 WeakPolarHBondContact OD1-CD 3.36Å; N49-K96 WeakPolarHBondContact OD1-CE 3.49Å; N49-K96 WeakPolarHBondContact OD1-CG 3.46Å
97N96.1Very high96.3Very high100 Ų10045.5 Ų45.554%0.53527%0.265SS..THydrogen-bonded Turntrans-105.214178.9-60.2-11.1000111.5N49 G95N49-N97 HydrophobicContact CB-CB 4.45Å; N49-N97 WeakPolarHBondContact O-CA 3.4Å; N49-N97 WeakPolarHBondContact O-CB 3.46Å; N49-N97 PolarHBondContact O-N 2.87Å; G95-N97 PolarHBondContact O-N 3.37Å
98V96.5Very high96.3Very high19 Ų1945.6 Ų45.612%0.11527%0.265CS..  trans-84.9113.5176.6171.70000109.3E51 I52 C94 G95 F101 A125E51-V98 WeakPolarHBondContact O-CG2 3.39Å; I52-V98 HydrophobicContact CG2-CB 4.44Å; I52-V98 HydrophobicContact CG2-CG1 3.72Å; I52-V98 HydrophobicContact CG2-CG2 4Å; C94-V98 HydrophobicContact CB-CB 4.17Å; C94-V98 HydrophobicContact CB-CG1 4.32Å; G95-V98 WeakPolarHBondContact O-CB 3.36Å; G95-V98 PolarHBondContact O-N 3.18Å; G95-V98 VanDerWaalsContact O-N 3.11Å; V98-F101 HydrophobicContact CG1-CB 3.86Å; V98-F101 HydrophobicContact CG1-CD2 4.46Å; V98-A125 HydrophobicContact CB-CB 4.47Å; V98-A125 HydrophobicContact CG1-CB 3.71Å; V98-A125 HydrophobicContact CG2-CB 4.15Å
99D93.1Very high96.2Very high145 Ų14546.2 Ų46.278%0.77527%0.269SS*.  trans-101152.7173-66.7-43.6000111.5F101D99-F101 PolarHBondContact O-N 3.46Å; D99-F101 VanDerWaalsContact O-N 3.15Å
100G93.7Very high95.9Very high63 Ų6347.3 Ų47.365%0.64928%0.275SS*.SBendtrans74.8-2.4173.700000115.6K130G100-K130 WeakPolarHBondContact O-CE 3.41Å; G100-K130 PolarHBondContact O-NZ 3.32Å
101F96.6Very high95.1Very high34 Ų3445.9 Ų45.915%0.14928%0.28CS..  trans-125.5149.5175.2-69.7-88.6000111.6I91 V98 D99 V107 A125 F128 K130I91-F101 HydrophobicContact CD1-CB 3.76Å; I91-F101 HydrophobicContact CD1-CD1 3.68Å; I91-F101 HydrophobicContact CD1-CG 4.1Å; V98-F101 HydrophobicContact CG1-CB 3.86Å; V98-F101 HydrophobicContact CG1-CD2 4.46Å; D99-F101 PolarHBondContact O-N 3.46Å; D99-F101 VanDerWaalsContact O-N 3.15Å; F101-V107 HydrophobicContact CD1-CG1 3.93Å; F101-V107 HydrophobicContact CE1-CG1 3.76Å; F101-A125 HydrophobicContact CD2-CB 3.83Å; F101-A125 HydrophobicContact CE2-CB 4.07Å; F101-A125 VanDerWaalsContact CE2-O 3.29Å; F101-A125 WeakPolarHBondContact CE2-O 3.3Å; F101-A125 WeakPolarHBondContact CZ-O 3.2Å; F101-F128 HydrophobicContact CE1-CB 4.44Å; F101-F128 HydrophobicContact CZ-CB 4.42Å; F101-K130 HydrophobicContact CE1-CB 4Å
102S96.4Very high94.1Very high69 Ų6948.1 Ų48.148%0.48329%0.292SS..  trans-140.5152.6-177.7-64.80000111.2G104 D105S102-G104 PolarHBondContact O-N 3.14Å; S102-D105 PolarHBondContact N-OD2 3.41Å; S102-D105 VanDerWaalsContact O-CB 3.23Å; S102-D105 WeakPolarHBondContact O-CB 3.39Å; S102-D105 VanDerWaalsContact O-CG 3.26Å; S102-D105 PolarHBondContact O-N 3.19Å; S102-D105 VanDerWaalsContact O-N 3.07Å
103I96.4Very high93.2Very high110 Ų11047.3 Ų47.356%0.56429%0.291SS*.THydrogen-bonded Turntrans-55.6134.2173-61.7177.1000109.2
104G96.9Very high92.6Very high38 Ų3848.9 Ų48.939%0.39230%0.302SS..THydrogen-bonded Turntrans91.2-12.6-176.600000114.8K90 I91 S102K90-G104 WeakPolarHBondContact CD-O 3.37Å; K90-G104 PolarHBondContact NZ-O 3.22Å; I91-G104 PolarHBondContact O-N 3.17Å; S102-G104 PolarHBondContact O-N 3.14Å
105D98Very high92.6Very high36 Ų3647.2 Ų47.219%0.19329%0.291CS..  trans-59.6138.8171.1-76.7-24.8000110.6K90 I91 S102 K130K90-D105 WeakPolarHBondContact CA-O 3.31Å; I91-D105 HydrophobicContact CD1-CB 3.98Å; I91-D105 HydrophobicContact CG1-CB 4.24Å; I91-D105 PolarHBondContact N-O 3.29Å; S102-D105 PolarHBondContact N-OD2 3.41Å; S102-D105 VanDerWaalsContact O-CB 3.23Å; S102-D105 WeakPolarHBondContact O-CB 3.39Å; S102-D105 VanDerWaalsContact O-CG 3.26Å; S102-D105 PolarHBondContact O-N 3.19Å; S102-D105 VanDerWaalsContact O-N 3.07Å; D105-K130 HydrophobicContact CB-CD 4.41Å; D105-K130 HydrophobicContact CB-CG 4.4Å; D105-K130 IonicContact OD1-NZ 3.73Å; D105-K130 WeakPolarHBondContact OD2-CE 3.5Å; D105-K130 IonicContact OD2-NZ 2.68Å; D105-K130 PolarHBondContact OD2-NZ 3.15Å
106T98.4Very high92.7Very high16 Ų1646.9 Ų46.910%0.09829%0.288CS..EExtended strand (participates in β ladder)trans-83.9130.6168.5-49.30000108.9G89 K90 I131 M137 A140G89-T106 CarbonylContact O-C 3.51Å; G89-T106 WeakPolarHBondContact O-CA 3.45Å; K90-T106 VanDerWaalsContact CE-OG1 3.3Å; K90-T106 WeakPolarHBondContact CE-OG1 3.48Å; K90-T106 PolarHBondContact NZ-OG1 2.77Å; T106-I131 HydrophobicContact CG2-CB 4.27Å; T106-I131 HydrophobicContact CG2-CD1 3.95Å; T106-I131 PolarHBondContact O-N 2.88Å; T106-M137 HydrophobicContact CG2-CE 3.69Å; T106-M137 HydrophobicContact CG2-SD 4.03Å; T106-A140 HydrophobicContact CG2-CB 4.32Å
107V98.1Very high92.8Very high0 Ų039.3 Ų39.30%026%0.255CS..EExtended strand (participates in β ladder)trans-133.2155179.3-63.80000112.7V54 A88 G89 I91 F101 F128 L129V54-V107 HydrophobicContact CB-CG2 4.39Å; V54-V107 HydrophobicContact CG1-CG2 3.76Å; V54-V107 HydrophobicContact CG2-CG2 3.66Å; A88-V107 WeakPolarHBondContact CA-O 3.38Å; G89-V107 PolarHBondContact N-O 2.92Å; G89-V107 PolarHBondContact O-N 3.4Å; I91-V107 HydrophobicContact CD1-CG1 3.83Å; I91-V107 HydrophobicContact CG1-CG1 3.95Å; I91-V107 HydrophobicContact CG1-CG2 4.1Å; F101-V107 HydrophobicContact CD1-CG1 3.93Å; F101-V107 HydrophobicContact CE1-CG1 3.76Å; V107-F128 HydrophobicContact CB-CB 4.21Å; V107-F128 HydrophobicContact CB-CD1 4.41Å; V107-F128 HydrophobicContact CG2-CD1 4.1Å; V107-L129 VanDerWaalsContact CA-O 3.23Å; V107-L129 WeakPolarHBondContact CA-O 3.28Å
108I97.3Very high92.8Very high2 Ų236.4 Ų36.41%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-125151.5169.764.5179.1000109.5G87 A88 F128 L129 I131 L143 A144 V305G87-I108 VanDerWaalsContact O-CG2 3.31Å; G87-I108 WeakPolarHBondContact O-CG2 3.29Å; A88-I108 HydrophobicContact CB-CG2 3.97Å; I108-F128 WeakPolarHBondContact O-CA 3.41Å; I108-L129 HydrophobicContact CD1-CB 4.49Å; I108-L129 HydrophobicContact CG1-CB 3.93Å; I108-L129 PolarHBondContact N-O 2.87Å; I108-L129 PolarHBondContact O-N 2.83Å; I108-I131 HydrophobicContact CG2-CD1 3.65Å; I108-I131 HydrophobicContact CG2-CG1 4.34Å; I108-L143 HydrophobicContact CD1-CB 4.38Å; I108-A144 HydrophobicContact CD1-CB 4.14Å; I108-V305 HydrophobicContact CD1-CG1 4.27Å; I108-V305 HydrophobicContact CD1-CG2 3.8Å
109P95.3Very high92.8Very high12 Ų1236.1 Ų36.18%0.07824%0.237CC..EExtended strand (participates in β ladder)trans-63.7138.6176.5-2133.6000112.1T116 W121P109-T116 HydrophobicContact CG-CG2 3.97Å; P109-W121 HydrophobicContact CG-CD2 4.43Å; P109-W121 HydrophobicContact CG-CE3 4.08Å; P109-W121 HydrophobicContact CG-CH2 3.9Å; P109-W121 HydrophobicContact CG-CZ2 4.27Å; P109-W121 HydrophobicContact CG-CZ3 3.79Å
110L91.8Very high92.9Very high24 Ų2431.4 Ų31.413%0.12621%0.208CC..  trans-78.3-38.4167.4-172.173.6000110.3D126 S127 L129 P298 R301L110-D126 VanDerWaalsContact CD2-O 3.25Å; L110-D126 WeakPolarHBondContact CD2-O 3.43Å; L110-S127 VanDerWaalsContact CB-C 3.45Å; L110-S127 VanDerWaalsContact CB-O 3.23Å; L110-S127 WeakPolarHBondContact CB-O 3.34Å; L110-S127 PolarHBondContact N-O 2.98Å; L110-L129 HydrophobicContact CD1-CD1 3.76Å; L110-L129 HydrophobicContact CD1-CD2 3.69Å; L110-L129 HydrophobicContact CD1-CG 3.62Å; L110-P298 HydrophobicContact CD2-CB 4.41Å; L110-P298 HydrophobicContact CD2-CG 4.3Å; L110-R301 HydrophobicContact CD1-CB 4.33Å; L110-R301 VanDerWaalsContact CD1-NH1 3.27Å; L110-R301 PolarHBondContact O-NH1 3.25Å; L110-R301 PolarHBondContact O-NH2 3.49Å
111G81.9Confident93Very high41 Ų4129 Ų2942%0.42318%0.179SC..SBendtrans-64.4164.9-175.100000114.8
112L75Confident92.8Very high49 Ų4930.1 Ų30.126%0.25719%0.191SC..SBendtrans-98.1147.3174-56.9169.6000108.8I75 S114 S290 L294I75-L112 HydrophobicContact CD1-CB 3.79Å; I75-L112 HydrophobicContact CD1-CD1 3.56Å; I75-L112 HydrophobicContact CD1-CG 4.19Å; L112-S114 PolarHBondContact O-N 3.12Å; L112-S290 WeakPolarHBondContact CD2-OG 3.39Å; L112-L294 HydrophobicContact CD1-CD1 3.75Å; L112-L294 HydrophobicContact CD1-CD2 4.01Å; L112-L294 HydrophobicContact CD1-CG 3.8Å
113A77.2Confident92.7Very high23 Ų2327.4 Ų27.419%0.1917%0.174CC..SBendtrans46.248.5-175.800000112.4I75 P77 N85 G115I75-A113 HydrophobicContact CG2-CB 4Å; P77-A113 HydrophobicContact CG-CB 3.66Å; N85-A113 WeakPolarHBondContact OD1-CA 3.42Å; N85-A113 PolarHBondContact OD1-N 3.27Å; A113-G115 PolarHBondContact O-N 2.91Å; A113-G115 VanDerWaalsContact O-N 3.16Å
114S81.8Confident92.6Very high38 Ų3827.1 Ų27.127%0.26617%0.169SC..  trans-69.7-6.3-173.741.60000113.9N85 L112 T116N85-S114 PolarHBondContact O-OG 3.1Å; L112-S114 PolarHBondContact O-N 3.12Å; S114-T116 WeakPolarHBondContact OG-CG2 3.33Å
115G93.9Very high92.6Very high4 Ų425.9 Ų25.94%0.04116%0.155CC..  trans67.155.9-178.300000110.9V82 A83 G84 A113 W117 Q118V82-G115 VanDerWaalsContact CG1-O 3.29Å; V82-G115 WeakPolarHBondContact CG1-O 3.38Å; V82-G115 VanDerWaalsContact O-CA 3.3Å; V82-G115 WeakPolarHBondContact O-CA 3.46Å; A83-G115 CarbonylContact O-C 3.46Å; A83-G115 WeakPolarHBondContact O-CA 3.21Å; G84-G115 VanDerWaalsContact O-CA 3.3Å; G84-G115 WeakPolarHBondContact O-CA 3.39Å; G84-G115 PolarHBondContact O-N 2.77Å; A113-G115 PolarHBondContact O-N 2.91Å; A113-G115 VanDerWaalsContact O-N 3.16Å; G115-W117 VanDerWaalsContact C-N 3.33Å; G115-W117 PolarHBondContact O-N 2.77Å; G115-Q118 WeakPolarHBondContact O-CG 3.27Å; G115-Q118 PolarHBondContact O-NE2 2.76Å
116T96.4Very high92.3Very high0 Ų029.3 Ų29.30%017%0.173CC..  trans-76.7-14.5-17059.50000115A83 G84 N85 E86 P109 S114 Q118 W121A83-T116 PolarHBondContact O-N 3.14Å; A83-T116 VanDerWaalsContact O-N 3.11Å; G84-T116 WeakPolarHBondContact CA-OG1 3.4Å; G84-T116 PolarHBondContact O-N 2.88Å; N85-T116 PolarHBondContact N-OG1 2.85Å; E86-T116 PolarHBondContact N-OG1 3.49Å; E86-T116 VanDerWaalsContact N-OG1 3.08Å; E86-T116 WeakPolarHBondContact O-CB 3.42Å; E86-T116 PolarHBondContact O-OG1 3.48Å; P109-T116 HydrophobicContact CG-CG2 3.97Å; S114-T116 WeakPolarHBondContact OG-CG2 3.33Å; T116-Q118 PolarHBondContact O-N 2.89Å; T116-W121 HydrophobicContact CG2-CH2 4.41Å; T116-W121 HydrophobicContact CG2-CZ2 3.76Å
117W97.4Very high92.1Very high2 Ų231 Ų311%0.00819%0.186CC..SBendtrans-82.158.6179.9-58.2-3.7000111.2A24 I25 L37 L60 I61 D65 I69 A83 G115 F327 L353A24-W117 CarbonylContact C-O 3.56Å; A24-W117 WeakPolarHBondContact CA-O 3.43Å; I25-W117 HydrophobicContact CB-CB 4.22Å; I25-W117 HydrophobicContact CB-CE3 4.21Å; I25-W117 HydrophobicContact CG1-CB 4.35Å; I25-W117 HydrophobicContact CG2-CE3 4.24Å; I25-W117 PolarHBondContact N-O 3.09Å; L37-W117 HydrophobicContact CD1-CZ3 3.97Å; L60-W117 PolarHBondContact O-NE1 3.39Å; I61-W117 HydrophobicContact CB-CZ2 3.97Å; I61-W117 HydrophobicContact CD1-CH2 4.4Å; I61-W117 HydrophobicContact CD1-CZ2 4.29Å; I61-W117 HydrophobicContact CG1-CH2 4.21Å; I61-W117 HydrophobicContact CG1-CZ2 3.64Å; I61-W117 HydrophobicContact CG2-CH2 3.92Å; I61-W117 HydrophobicContact CG2-CZ2 3.71Å; D65-W117 HydrophobicContact CB-CH2 4Å; D65-W117 HydrophobicContact CB-CZ2 3.59Å; I69-W117 HydrophobicContact CD1-CH2 3.98Å; I69-W117 HydrophobicContact CD1-CZ3 3.97Å; A83-W117 HydrophobicContact CB-CD2 3.94Å; A83-W117 HydrophobicContact CB-CE3 3.39Å; A83-W117 HydrophobicContact CB-CZ3 3.74Å; A83-W117 VanDerWaalsContact O-CB 3.3Å; A83-W117 WeakPolarHBondContact O-CB 3.41Å; A83-W117 PolarHBondContact O-N 3.49Å; G115-W117 VanDerWaalsContact C-N 3.33Å; G115-W117 PolarHBondContact O-N 2.77Å; W117-F327 HydrophobicContact CB-CE2 4.44Å; W117-L353 HydrophobicContact CB-CD1 4.42Å; W117-L353 HydrophobicContact CD2-CD1 4.16Å; W117-L353 HydrophobicContact CG-CD1 3.96Å
118Q96.6Very high92Very high39 Ų3931.8 Ų31.818%0.18219%0.189CC..BIsolated β-bridgetrans-146.5159.5174.762.4-176.5-46.300110.9E23 A24 V56 V82 G115 T116 Y120E23-Q118 CarbonylContact O-C 3.57Å; E23-Q118 WeakPolarHBondContact O-CA 3.33Å; E23-Q118 WeakPolarHBondContact O-CB 3.34Å; A24-Q118 HydrophobicContact CB-CB 3.63Å; V56-Q118 VanDerWaalsContact CB-O 3.23Å; V56-Q118 WeakPolarHBondContact CB-O 3.45Å; V56-Q118 WeakPolarHBondContact CG2-O 3.5Å; V82-Q118 HydrophobicContact CG1-CB 4.04Å; V82-Q118 HydrophobicContact CG1-CG 4.22Å; G115-Q118 WeakPolarHBondContact O-CG 3.27Å; G115-Q118 PolarHBondContact O-NE2 2.76Å; T116-Q118 PolarHBondContact O-N 2.89Å; Q118-Y120 VanDerWaalsContact CD-O 3.23Å; Q118-Y120 WeakPolarHBondContact CG-O 3.29Å; Q118-Y120 PolarHBondContact OE1-O 2.87Å; Q118-Y120 VanDerWaalsContact OE1-O 3.1Å
119T96.6Very high92Very high14 Ų1432 Ų329%0.08619%0.19CC..SBendtrans-82.3-19.6-173.657.70000113.9S22 E23 V56 F327 M355S22-T119 WeakPolarHBondContact CA-OG1 3.48Å; E23-T119 HydrophobicContact CB-CG2 3.93Å; E23-T119 PolarHBondContact N-OG1 3.16Å; E23-T119 PolarHBondContact O-N 2.86Å; V56-T119 PolarHBondContact N-O 2.99Å; T119-F327 HydrophobicContact CG2-CD1 4.1Å; T119-F327 HydrophobicContact CG2-CE1 4.08Å; T119-M355 HydrophobicContact CG2-SD 4.18Å
120Y95.8Very high92.1Very high45 Ų4533.4 Ų33.418%0.17620%0.195CC..EExtended strand (participates in β ladder)trans-135.1141.9175.5-64.5-81.5000112.4V20 S22 V44 L53 V54 K55 I92 Q118V20-Y120 HydrophobicContact CG1-CD2 4.35Å; V20-Y120 HydrophobicContact CG1-CE2 3.63Å; S22-Y120 PolarHBondContact OG-N 3.12Å; V44-Y120 HydrophobicContact CG2-CD2 3.72Å; V44-Y120 HydrophobicContact CG2-CE2 4.33Å; V44-Y120 HydrophobicContact CG2-CG 4.01Å; L53-Y120 HydrophobicContact CD1-CD1 4.42Å; V54-Y120 CarbonylContact O-C 3.54Å; V54-Y120 VanDerWaalsContact O-CA 3.24Å; V54-Y120 WeakPolarHBondContact O-CA 3.27Å; K55-Y120 HydrophobicContact CB-CD1 4.2Å; K55-Y120 HydrophobicContact CB-CE1 3.89Å; K55-Y120 HydrophobicContact CG-CD1 4.46Å; K55-Y120 HydrophobicContact CG-CE1 3.92Å; I92-Y120 HydrophobicContact CD1-CD1 4.06Å; I92-Y120 HydrophobicContact CD1-CE1 3.67Å; Q118-Y120 VanDerWaalsContact CD-O 3.23Å; Q118-Y120 WeakPolarHBondContact CG-O 3.29Å; Q118-Y120 PolarHBondContact OE1-O 2.87Å; Q118-Y120 VanDerWaalsContact OE1-O 3.1Å
121W94.8Very high92.4Very high12 Ų1232.7 Ų32.75%0.04519%0.191CC..EExtended strand (participates in β ladder)trans-114.2141.1165.8-53.3-36.2000110.5V54 V56 P109 T116 F128V54-W121 HydrophobicContact CB-CB 4.19Å; V54-W121 HydrophobicContact CB-CE3 4.22Å; V54-W121 HydrophobicContact CG1-CE3 3.87Å; V54-W121 HydrophobicContact CG1-CZ3 4.34Å; V54-W121 PolarHBondContact N-O 3.39Å; V54-W121 PolarHBondContact O-N 2.91Å; V56-W121 HydrophobicContact CB-CZ2 4.25Å; V56-W121 HydrophobicContact CG1-CH2 3.97Å; V56-W121 HydrophobicContact CG1-CZ2 3.58Å; V56-W121 HydrophobicContact CG2-CD2 3.46Å; V56-W121 VanDerWaalsContact CG2-CD2 3.46Å; V56-W121 HydrophobicContact CG2-CE3 4.05Å; V56-W121 HydrophobicContact CG2-CG 3.77Å; V56-W121 HydrophobicContact CG2-CH2 4.16Å; V56-W121 HydrophobicContact CG2-CZ2 3.59Å; V56-W121 HydrophobicContact CG2-CZ3 4.37Å; P109-W121 HydrophobicContact CG-CD2 4.43Å; P109-W121 HydrophobicContact CG-CE3 4.08Å; P109-W121 HydrophobicContact CG-CH2 3.9Å; P109-W121 HydrophobicContact CG-CZ2 4.27Å; P109-W121 HydrophobicContact CG-CZ3 3.79Å; T116-W121 HydrophobicContact CG2-CH2 4.41Å; T116-W121 HydrophobicContact CG2-CZ2 3.76Å; W121-F128 HydrophobicContact CB-CE1 4.26Å; W121-F128 HydrophobicContact CB-CZ 4.23Å; W121-F128 AromaticContact CE3-CE1 3.94Å; W121-F128 HydrophobicContact CE3-CE1 3.94Å
122C93.5Very high93Very high58 Ų5836.9 Ų36.939%0.39220%0.198SC..EExtended strand (participates in β ladder)trans-129131.5172-173.30000108.2F47 I52 L53F47-C122 WeakPolarHBondContact CB-SG 3.38Å; I52-C122 WeakPolarHBondContact O-CA 3.37Å; L53-C122 HydrophobicContact CD1-CB 4.36Å
123G93.4Very high94.1Very high13 Ų1338.7 Ų38.713%0.13420%0.202CC..EExtended strand (participates in β ladder)trans176.4174.1176.500000112.6E51 I52E51-G123 CarbonylContact C-O 3.55Å; E51-G123 VanDerWaalsContact CA-O 3.22Å; E51-G123 WeakPolarHBondContact CA-O 3.47Å; E51-G123 WeakPolarHBondContact CB-O 3.45Å; I52-G123 PolarHBondContact N-O 3.18Å; I52-G123 PolarHBondContact O-N 3.34Å
124K94.9Very high95Very high104 Ų10442.8 Ų42.845%0.45223%0.226SC..EExtended strand (participates in β ladder)trans-56.9141-179.9-67.6-173.1173.9-171.10111.3D50 E51 D126 S127 F128D50-K124 VanDerWaalsContact OD2-CE 3.31Å; D50-K124 WeakPolarHBondContact OD2-CE 3.32Å; D50-K124 IonicContact OD2-NZ 3.21Å; E51-K124 HydrophobicContact CG-CG 4.38Å; K124-D126 WeakPolarHBondContact CB-OD1 3.32Å; K124-D126 PolarHBondContact O-N 3.26Å; K124-S127 VanDerWaalsContact O-CB 3.24Å; K124-S127 WeakPolarHBondContact O-CB 3.37Å; K124-S127 PolarHBondContact O-N 2.82Å; K124-F128 VanDerWaalsContact O-CD2 3.24Å; K124-F128 WeakPolarHBondContact O-CD2 3.41Å; K124-F128 WeakPolarHBondContact O-CE2 3.42Å
125A95.4Very high95.7Very high11 Ų1142.2 Ų42.29%0.09122%0.22CC..G310 helixtrans-56.1-35.4-178.800000113.2D50 I52 V98 F101 S127 F128D50-A125 PolarHBondContact O-N 3.43Å; D50-A125 VanDerWaalsContact O-N 3.11Å; I52-A125 HydrophobicContact CG2-CB 4.15Å; V98-A125 HydrophobicContact CB-CB 4.47Å; V98-A125 HydrophobicContact CG1-CB 3.71Å; V98-A125 HydrophobicContact CG2-CB 4.15Å; F101-A125 HydrophobicContact CD2-CB 3.83Å; F101-A125 HydrophobicContact CE2-CB 4.07Å; F101-A125 VanDerWaalsContact CE2-O 3.29Å; F101-A125 WeakPolarHBondContact CE2-O 3.3Å; F101-A125 WeakPolarHBondContact CZ-O 3.2Å; A125-S127 PolarHBondContact O-N 3.11Å; A125-F128 PolarHBondContact O-N 3.36Å
126D93.1Very high95.8Very high109 Ų10945 Ų4558%0.58324%0.239SC*.G310 helixtrans-69.3-10.5177.367.82.3000114.6L110 K124 F128L110-D126 VanDerWaalsContact CD2-O 3.25Å; L110-D126 WeakPolarHBondContact CD2-O 3.43Å; K124-D126 WeakPolarHBondContact CB-OD1 3.32Å; K124-D126 PolarHBondContact O-N 3.26Å; D126-F128 PolarHBondContact O-N 3.31Å
127S93.8Very high95.7Very high51 Ų5147.3 Ų47.336%0.35725%0.251SS..G310 helixtrans-86.28.9175.9-590000112.3L110 K124 A125L110-S127 VanDerWaalsContact CB-C 3.45Å; L110-S127 VanDerWaalsContact CB-O 3.23Å; L110-S127 WeakPolarHBondContact CB-O 3.34Å; L110-S127 PolarHBondContact N-O 2.98Å; K124-S127 VanDerWaalsContact O-CB 3.24Å; K124-S127 WeakPolarHBondContact O-CB 3.37Å; K124-S127 PolarHBondContact O-N 2.82Å; A125-S127 PolarHBondContact O-N 3.11Å
128F96.1Very high95.6Very high16 Ų1647.5 Ų47.57%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-130.7154.2-179.8-60.9-88.5000111.8I52 V54 F101 V107 I108 W121 K124 A125 D126I52-F128 HydrophobicContact CD1-CB 4.21Å; I52-F128 HydrophobicContact CD1-CD1 4.42Å; I52-F128 HydrophobicContact CD1-CD2 3.43Å; I52-F128 VanDerWaalsContact CD1-CD2 3.43Å; I52-F128 HydrophobicContact CD1-CE2 3.82Å; I52-F128 HydrophobicContact CD1-CG 3.77Å; I52-F128 HydrophobicContact CD1-CZ 4.46Å; I52-F128 HydrophobicContact CG1-CD2 3.74Å; I52-F128 HydrophobicContact CG1-CE2 3.64Å; I52-F128 HydrophobicContact CG1-CZ 4.36Å; V54-F128 HydrophobicContact CG2-CE1 4.09Å; V54-F128 HydrophobicContact CG2-CZ 4.26Å; F101-F128 HydrophobicContact CE1-CB 4.44Å; F101-F128 HydrophobicContact CZ-CB 4.42Å; V107-F128 HydrophobicContact CB-CB 4.21Å; V107-F128 HydrophobicContact CB-CD1 4.41Å; V107-F128 HydrophobicContact CG2-CD1 4.1Å; I108-F128 WeakPolarHBondContact O-CA 3.41Å; W121-F128 HydrophobicContact CB-CE1 4.26Å; W121-F128 HydrophobicContact CB-CZ 4.23Å; W121-F128 AromaticContact CE3-CE1 3.94Å; W121-F128 HydrophobicContact CE3-CE1 3.94Å; K124-F128 VanDerWaalsContact O-CD2 3.24Å; K124-F128 WeakPolarHBondContact O-CD2 3.41Å; K124-F128 WeakPolarHBondContact O-CE2 3.42Å; A125-F128 PolarHBondContact O-N 3.36Å; D126-F128 PolarHBondContact O-N 3.31Å
129L96.6Very high95.5Very high7 Ų746.2 Ų46.24%0.03725%0.248CC..EExtended strand (participates in β ladder)trans-112.1139.6168.5-65.1174.2000109V107 I108 L110 R301 Q302 V305V107-L129 VanDerWaalsContact CA-O 3.23Å; V107-L129 WeakPolarHBondContact CA-O 3.28Å; I108-L129 HydrophobicContact CD1-CB 4.49Å; I108-L129 HydrophobicContact CG1-CB 3.93Å; I108-L129 PolarHBondContact N-O 2.87Å; I108-L129 PolarHBondContact O-N 2.83Å; L110-L129 HydrophobicContact CD1-CD1 3.76Å; L110-L129 HydrophobicContact CD1-CD2 3.69Å; L110-L129 HydrophobicContact CD1-CG 3.62Å; L129-R301 HydrophobicContact CD1-CB 3.91Å; L129-R301 HydrophobicContact CD2-CB 4.48Å; L129-Q302 HydrophobicContact CD2-CB 4.1Å; L129-V305 HydrophobicContact CD1-CG2 3.74Å
130K97.4Very high95.6Very high41 Ų4145.6 Ų45.618%0.17824%0.244CC..EExtended strand (participates in β ladder)trans-86.2138.7177.7-169.6-178.6-55-158.10110.2G100 F101 D105 Q302G100-K130 WeakPolarHBondContact O-CE 3.41Å; G100-K130 PolarHBondContact O-NZ 3.32Å; F101-K130 HydrophobicContact CE1-CB 4Å; D105-K130 HydrophobicContact CB-CD 4.41Å; D105-K130 HydrophobicContact CB-CG 4.4Å; D105-K130 IonicContact OD1-NZ 3.73Å; D105-K130 WeakPolarHBondContact OD2-CE 3.5Å; D105-K130 IonicContact OD2-NZ 2.68Å; D105-K130 PolarHBondContact OD2-NZ 3.15Å; K130-Q302 PolarHBondContact O-NE2 3.26Å
131I98.1Very high95.5Very high10 Ų1043.5 Ų43.55%0.05124%0.236CC..EExtended strand (participates in β ladder)trans-96.3111.1166.6-61.6171.5000107.8T106 I108 Y133 I135 A140 L143 V305T106-I131 HydrophobicContact CG2-CB 4.27Å; T106-I131 HydrophobicContact CG2-CD1 3.95Å; T106-I131 PolarHBondContact O-N 2.88Å; I108-I131 HydrophobicContact CG2-CD1 3.65Å; I108-I131 HydrophobicContact CG2-CG1 4.34Å; I131-Y133 WeakPolarHBondContact CG2-O 3.24Å; I131-I135 HydrophobicContact CG2-CD1 4Å; I131-I135 HydrophobicContact CG2-CG1 4.09Å; I131-A140 HydrophobicContact CD1-CB 3.47Å; I131-A140 VanDerWaalsContact CD1-CB 3.47Å; I131-L143 HydrophobicContact CD1-CD1 3.64Å; I131-L143 HydrophobicContact CG1-CD1 4.02Å; I131-V305 HydrophobicContact CG1-CG1 3.99Å
132K95.9Very high95.5Very high129 Ų12943.2 Ų43.256%0.56124%0.235SC*.  trans-83.6-28.7-175-61.8174.7-173.9159.60113.6D306K132-D306 IonicContact NZ-OD1 2.76Å; K132-D306 IonicContact NZ-OD2 3.94Å; K132-D306 PolarHBondContact NZ-OD2 2.88Å
133Y97.4Very high95.6Very high86 Ų8640.4 Ų40.434%0.33722%0.216SC..SBendtrans-90.2139.9-178.5-65-84.8000111.1I131 I135 D306 S309 K310 C313I131-Y133 WeakPolarHBondContact CG2-O 3.24Å; Y133-I135 PolarHBondContact O-N 3.1Å; Y133-I135 VanDerWaalsContact O-N 3.17Å; Y133-D306 WeakPolarHBondContact CE2-O 3.43Å; Y133-S309 WeakPolarHBondContact CD2-OG 3.38Å; Y133-K310 HydrophobicContact CD1-CB 4.36Å; Y133-K310 HydrophobicContact CD1-CG 4.47Å; Y133-K310 HydrophobicContact CD2-CB 3.92Å; Y133-K310 HydrophobicContact CE1-CB 4.14Å; Y133-K310 HydrophobicContact CE1-CD 4.45Å; Y133-K310 HydrophobicContact CE1-CG 4Å; Y133-K310 HydrophobicContact CE2-CB 3.67Å; Y133-K310 HydrophobicContact CE2-CG 4.33Å; Y133-K310 HydrophobicContact CG-CB 4.26Å; Y133-C313 HydrophobicContact CD1-CB 4.5Å
134P95.3Very high95.6Very high109 Ų10940.6 Ų40.671%0.70822%0.216SC*.  trans-71.8110.4179.229.5-33.5000110.4
135I97.2Very high95.6Very high26 Ų2636.9 Ų36.913%0.13320%0.201CC..  trans-133.6160.3174.961.6173.9000109.6I131 Y133 C139 A140 L143 F312 C313I131-I135 HydrophobicContact CG2-CD1 4Å; I131-I135 HydrophobicContact CG2-CG1 4.09Å; Y133-I135 PolarHBondContact O-N 3.1Å; Y133-I135 VanDerWaalsContact O-N 3.17Å; I135-C139 HydrophobicContact CB-CB 4.42Å; I135-C139 HydrophobicContact CD1-CB 4.25Å; I135-A140 HydrophobicContact CD1-CB 3.96Å; I135-A140 HydrophobicContact CG1-CB 4.15Å; I135-L143 HydrophobicContact CD1-CD1 3.73Å; I135-L143 HydrophobicContact CD1-CG 4.41Å; I135-F312 HydrophobicContact CG2-CB 3.7Å; I135-C313 HydrophobicContact CG2-CB 4.05Å
136S95.8Very high95.6Very high64 Ų6437 Ų3745%0.44820%0.2SC..  trans-60.3151.5175.271.80000111.1S138 C139 A140S136-S138 PolarHBondContact O-N 3.42Å; S136-C139 PolarHBondContact O-N 2.79Å; S136-C139 WeakPolarHBondContact OG-CB 3.31Å; S136-C139 PolarHBondContact OG-N 3.16Å; S136-C139 VanDerWaalsContact OG-N 3.17Å; S136-C139 PolarHBondContact OG-SG 2.79Å; S136-A140 WeakPolarHBondContact O-CB 3.17Å; S136-A140 PolarHBondContact O-N 2.92Å
137M95.7Very high95.8Very high47 Ų4731.8 Ų31.823%0.23217%0.172CC..Hα-helixtrans-61.7-32.8177.9-70.1-60.4106.800112C57 A58 T106 A140 A141C57-M137 HydrophobicContact CB-CB 4.06Å; C57-M137 HydrophobicContact CB-CG 3.72Å; C57-M137 HydrophobicContact CB-SD 3.93Å; A58-M137 HydrophobicContact CB-CB 4.38Å; T106-M137 HydrophobicContact CG2-CE 3.69Å; T106-M137 HydrophobicContact CG2-SD 4.03Å; M137-A140 PolarHBondContact O-N 3.16Å; M137-A141 VanDerWaalsContact O-CB 3.27Å; M137-A141 WeakPolarHBondContact O-CB 3.48Å; M137-A141 PolarHBondContact O-N 3.16Å
138S94.3Very high96Very high6 Ų629.6 Ų29.64%0.04216%0.157CC..Hα-helixtrans-68.1-38.4176.9-52.10000112S136 T142 E324S136-S138 PolarHBondContact O-N 3.42Å; S138-T142 WeakPolarHBondContact O-CG2 3.39Å; S138-E324 WeakPolarHBondContact CB-OE1 3.3Å; S138-E324 PolarHBondContact OG-OE1 3.12Å
139C95.6Very high96.1Very high13 Ų1329.4 Ų29.49%0.08816%0.158CC..Hα-helixtrans-66.7-46.9170.4-70.40000111.2I135 S136 A141 T142 F312I135-C139 HydrophobicContact CB-CB 4.42Å; I135-C139 HydrophobicContact CD1-CB 4.25Å; S136-C139 PolarHBondContact O-N 2.79Å; S136-C139 WeakPolarHBondContact OG-CB 3.31Å; S136-C139 PolarHBondContact OG-N 3.16Å; S136-C139 VanDerWaalsContact OG-N 3.17Å; S136-C139 PolarHBondContact OG-SG 2.79Å; C139-A141 VanDerWaalsContact C-N 3.26Å; C139-A141 PolarHBondContact O-N 2.99Å; C139-T142 PolarHBondContact O-N 2.85Å; C139-T142 PolarHBondContact O-OG1 2.89Å; C139-F312 HydrophobicContact CB-CD1 4.08Å; C139-F312 HydrophobicContact CB-CE1 4.16Å; C139-F312 HydrophobicContact CB-CG 4.38Å
140A96.9Very high96.2Very high1 Ų129.1 Ų29.11%0.00816%0.156CC..Hα-helixtrans-55.2-41.9178.400000112.4A88 T106 I131 I135 S136 M137 T142 L143A88-A140 HydrophobicContact CB-CB 3.56Å; T106-A140 HydrophobicContact CG2-CB 4.32Å; I131-A140 HydrophobicContact CD1-CB 3.47Å; I131-A140 VanDerWaalsContact CD1-CB 3.47Å; I135-A140 HydrophobicContact CD1-CB 3.96Å; I135-A140 HydrophobicContact CG1-CB 4.15Å; S136-A140 WeakPolarHBondContact O-CB 3.17Å; S136-A140 PolarHBondContact O-N 2.92Å; M137-A140 PolarHBondContact O-N 3.16Å; A140-T142 PolarHBondContact O-N 2.9Å; A140-T142 VanDerWaalsContact O-N 3.1Å; A140-L143 PolarHBondContact O-N 2.93Å
141A95.4Very high96.3Very high0 Ų027.6 Ų27.60%015%0.15CC..THydrogen-bonded Turntrans-69.3-0.8178.700000114.6A58 E86 A88 M137 C139A58-A141 HydrophobicContact CB-CB 3.65Å; E86-A141 VanDerWaalsContact CG-O 3.25Å; E86-A141 WeakPolarHBondContact CG-O 3.46Å; A88-A141 HydrophobicContact CB-CB 4.23Å; M137-A141 VanDerWaalsContact O-CB 3.27Å; M137-A141 WeakPolarHBondContact O-CB 3.48Å; M137-A141 PolarHBondContact O-N 3.16Å; C139-A141 VanDerWaalsContact C-N 3.26Å; C139-A141 PolarHBondContact O-N 2.99Å
142T93.5Very high96.3Very high6 Ų627.9 Ų27.94%0.03715%0.151CC..THydrogen-bonded Turntrans-112.1-6.4177.368.90000113.7L60 S138 C139 A140 A144 P147L60-T142 HydrophobicContact CD1-CG2 3.92Å; L60-T142 HydrophobicContact CD2-CG2 3.89Å; S138-T142 WeakPolarHBondContact O-CG2 3.39Å; C139-T142 PolarHBondContact O-N 2.85Å; C139-T142 PolarHBondContact O-OG1 2.89Å; A140-T142 PolarHBondContact O-N 2.9Å; A140-T142 VanDerWaalsContact O-N 3.1Å; T142-A144 PolarHBondContact O-N 2.71Å; T142-P147 WeakPolarHBondContact O-CD 3.44Å; T142-P147 WeakPolarHBondContact O-CG 3.41Å
143L95.1Very high96.4Very high0 Ų021.7 Ų21.70%012%0.124CC..THydrogen-bonded Turntrans-68.8-33.9-167.7-76.1177.4000114.2I108 I131 I135 A140 I145 S148 V305 L308 F312I108-L143 HydrophobicContact CD1-CB 4.38Å; I131-L143 HydrophobicContact CD1-CD1 3.64Å; I131-L143 HydrophobicContact CG1-CD1 4.02Å; I135-L143 HydrophobicContact CD1-CD1 3.73Å; I135-L143 HydrophobicContact CD1-CG 4.41Å; A140-L143 PolarHBondContact O-N 2.93Å; L143-I145 VanDerWaalsContact C-N 3.32Å; L143-I145 PolarHBondContact O-N 3.01Å; L143-S148 PolarHBondContact O-OG 2.94Å; L143-V305 HydrophobicContact CD1-CG1 4.32Å; L143-L308 HydrophobicContact CD2-CB 3.65Å; L143-F312 HydrophobicContact CD2-CD2 3.71Å; L143-F312 HydrophobicContact CD2-CE2 3.61Å
144A93.6Very high96.5Very high16 Ų1617.7 Ų17.713%0.13211%0.108CC..THydrogen-bonded Turntrans-72.4-27.2-164.800000112.9E86 I108 T142 L289E86-A144 HydrophobicContact CG-CB 3.99Å; E86-A144 WeakPolarHBondContact OE1-CA 3.38Å; E86-A144 PolarHBondContact OE1-N 3.37Å; I108-A144 HydrophobicContact CD1-CB 4.14Å; T142-A144 PolarHBondContact O-N 2.71Å; A144-L289 WeakPolarHBondContact O-CD2 3.15Å
145I95.2Very high96.5Very high26 Ų2616.5 Ų16.513%0.13310%0.096CC..THydrogen-bonded Turntrans-117.8-69.3-170.2-57.1-174.1000111.7L64 N85 E86 L143 T149 L289L64-I145 HydrophobicContact CD1-CD1 4.04Å; L64-I145 HydrophobicContact CD2-CD1 3.71Å; L64-I145 HydrophobicContact CD2-CG2 3.79Å; L64-I145 HydrophobicContact CG-CD1 4.45Å; N85-I145 HydrophobicContact CB-CD1 4.06Å; E86-I145 HydrophobicContact CB-CD1 3.81Å; E86-I145 HydrophobicContact CB-CG1 4.22Å; E86-I145 HydrophobicContact CG-CD1 4.28Å; E86-I145 HydrophobicContact CG-CG1 4.15Å; E86-I145 WeakPolarHBondContact OE1-CB 3.42Å; E86-I145 PolarHBondContact OE1-N 3.07Å; L143-I145 VanDerWaalsContact C-N 3.32Å; L143-I145 PolarHBondContact O-N 3.01Å; I145-T149 WeakPolarHBondContact O-CB 3.34Å; I145-T149 PolarHBondContact O-N 3.3Å; I145-T149 PolarHBondContact O-OG1 3.42Å; I145-L289 WeakPolarHBondContact O-CD2 3.35Å
146N96.5Very high96.5Very high13 Ų1319 Ų197%0.0711%0.11CC..Hα-helixtrans-73.1-52.5-163.9-63.6-57.3000113.5N62 S148 T149 A150 A174 V175 Y178N62-N146 PolarHBondContact OD1-ND2 2.66Å; N146-S148 VanDerWaalsContact C-N 3.35Å; N146-T149 PolarHBondContact O-N 3.47Å; N146-A150 PolarHBondContact O-N 3.28Å; N146-A174 HydrophobicContact CB-CB 3.91Å; N146-V175 HydrophobicContact CB-CG2 4.17Å; N146-V175 WeakPolarHBondContact OD1-CG2 3.3Å; N146-Y178 HydrophobicContact CB-CD2 3.95Å; N146-Y178 HydrophobicContact CB-CE2 4Å
147P97.6Very high96.6Very high0 Ų018 Ų180%010%0.097CC..Hα-helixtrans-65.7-37.4174.7-12.926.4000112.1T142 T149 A150 L151 Y178 L308 F312T142-P147 WeakPolarHBondContact O-CD 3.44Å; T142-P147 WeakPolarHBondContact O-CG 3.41Å; P147-T149 PolarHBondContact O-N 3.27Å; P147-A150 PolarHBondContact O-N 3.06Å; P147-L151 PolarHBondContact O-N 3.42Å; P147-Y178 HydrophobicContact CB-CD1 4.16Å; P147-Y178 HydrophobicContact CB-CD2 4.12Å; P147-Y178 HydrophobicContact CB-CE1 4.45Å; P147-Y178 HydrophobicContact CB-CE2 4.43Å; P147-Y178 HydrophobicContact CB-CG 4Å; P147-Y178 HydrophobicContact CG-CD1 4.14Å; P147-Y178 HydrophobicContact CG-CD2 3.72Å; P147-Y178 HydrophobicContact CG-CE1 3.99Å; P147-Y178 HydrophobicContact CG-CE2 3.57Å; P147-Y178 HydrophobicContact CG-CG 4.02Å; P147-L308 HydrophobicContact CB-CD1 3.97Å; P147-L308 HydrophobicContact CB-CD2 3.76Å; P147-L308 HydrophobicContact CB-CG 4.4Å; P147-F312 HydrophobicContact CG-CE2 4.35Å
148S97.4Very high96.7Very high6 Ų617 Ų174%0.0429%0.094CC..Hα-helixtrans-61.6-42.2175.1-71.60000112L143 N146 H152 L308L143-S148 PolarHBondContact O-OG 2.94Å; N146-S148 VanDerWaalsContact C-N 3.35Å; S148-H152 PolarHBondContact O-CD2 2.77Å; S148-H152 PolarHBondContact O-N 3.08Å; S148-H152 VanDerWaalsContact O-N 3.14Å; S148-L308 WeakPolarHBondContact OG-CD1 3.24Å
149T98.1Very high96.8Very high12 Ų1224.4 Ų24.47%0.07413%0.128CC..Hα-helixtrans-61.7-49.3174.4-62.10000110.4I145 N146 P147 L151 H152 L153 V175 Y262 F287 L289I145-T149 WeakPolarHBondContact O-CB 3.34Å; I145-T149 PolarHBondContact O-N 3.3Å; I145-T149 PolarHBondContact O-OG1 3.42Å; N146-T149 PolarHBondContact O-N 3.47Å; P147-T149 PolarHBondContact O-N 3.27Å; T149-L151 PolarHBondContact O-N 3.28Å; T149-H152 PolarHBondContact O-N 3.41Å; T149-L153 HydrophobicContact CG2-CD1 3.92Å; T149-L153 HydrophobicContact CG2-CG 4.26Å; T149-L153 VanDerWaalsContact O-CG 3.26Å; T149-L153 WeakPolarHBondContact O-CG 3.21Å; T149-L153 PolarHBondContact O-N 2.86Å; T149-V175 HydrophobicContact CG2-CG1 3.85Å; T149-V175 HydrophobicContact CG2-CG2 4.09Å; T149-Y262 HydrophobicContact CG2-CD2 4.08Å; T149-Y262 HydrophobicContact CG2-CG 4.45Å; T149-F287 HydrophobicContact CG2-CD1 4.14Å; T149-F287 HydrophobicContact CG2-CE1 3.95Å; T149-L289 VanDerWaalsContact OG1-CD2 3.32Å; T149-L289 WeakPolarHBondContact OG1-CD2 3.48Å
150A98.7Very high96.9Very high0 Ų024.2 Ų24.20%013%0.126CC..Hα-helixtrans-58-46.1179.600000112.8N146 P147 H152 L153 L154 V175 V179 I182N146-A150 PolarHBondContact O-N 3.28Å; P147-A150 PolarHBondContact O-N 3.06Å; A150-H152 PolarHBondContact O-N 3.48Å; A150-L153 PolarHBondContact O-N 2.86Å; A150-L154 WeakPolarHBondContact O-CG 3.4Å; A150-L154 PolarHBondContact O-N 3.27Å; A150-V175 HydrophobicContact CB-CG1 4.22Å; A150-V179 HydrophobicContact CB-CG2 3.74Å; A150-I182 HydrophobicContact CB-CD1 3.95Å
151L98.4Very high96.9Very high10 Ų1029.1 Ų29.15%0.05215%0.148CC..Hα-helixtrans-60.4-45.6178.2-176.861.7000111.8P147 T149 L154 N155 I182 T304 L308 W311P147-L151 PolarHBondContact O-N 3.42Å; T149-L151 PolarHBondContact O-N 3.28Å; L151-L154 PolarHBondContact O-N 3.38Å; L151-N155 WeakPolarHBondContact CD1-ND2 3.28Å; L151-N155 WeakPolarHBondContact O-CB 3.47Å; L151-N155 PolarHBondContact O-N 3.32Å; L151-I182 HydrophobicContact CB-CD1 4.12Å; L151-I182 HydrophobicContact CD1-CG2 3.97Å; L151-T304 HydrophobicContact CD2-CG2 4.07Å; L151-L308 HydrophobicContact CB-CD2 4.5Å; L151-L308 HydrophobicContact CD2-CD2 4.4Å; L151-L308 HydrophobicContact CD2-CG 4.36Å; L151-W311 HydrophobicContact CD1-CH2 3.89Å; L151-W311 HydrophobicContact CD1-CZ3 3.93Å
152H98Very high97Very high15 Ų1537.8 Ų37.87%0.06919%0.186CC..Hα-helixtrans-70.8-31.7-179.7-71.7-45000113.3S148 T149 A150 L154 N155 N156 F287 F292S148-H152 PolarHBondContact O-CD2 2.77Å; S148-H152 PolarHBondContact O-N 3.08Å; S148-H152 VanDerWaalsContact O-N 3.14Å; T149-H152 PolarHBondContact O-N 3.41Å; A150-H152 PolarHBondContact O-N 3.48Å; H152-L154 VanDerWaalsContact C-N 3.27Å; H152-L154 PolarHBondContact O-N 3.06Å; H152-N155 PolarHBondContact O-N 2.85Å; H152-N156 PolarHBondContact ND1-ND2 3.06Å; H152-N156 WeakPolarHBondContact O-CB 3.37Å; H152-N156 PolarHBondContact O-N 3.4Å; H152-N156 VanDerWaalsContact O-N 3.11Å; H152-F287 HydrophobicContact CB-CE1 3.98Å; H152-F287 HydrophobicContact CB-CE2 4.31Å; H152-F287 HydrophobicContact CB-CZ 3.49Å; H152-F287 VanDerWaalsContact CB-CZ 3.49Å; H152-F292 AromaticContact CD2-CE1 3.83Å; H152-F292 AromaticContact CE1-CE1 3.47Å; H152-F292 VanDerWaalsContact CE1-CE1 3.47Å; H152-F292 WeakPolarHBondContact CE1-CE1 3.38Å; H152-F292 AromaticContact CG-CE1 3.95Å; H152-F292 AromaticContact ND1-CE1 3.74Å; H152-F292 AromaticContact ND1-CZ 3.94Å; H152-F292 AromaticContact NE2-CE1 3.51Å
153L98.7Very high97.1Very high0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-62-36.7172.8-73.7174.2000112T149 A150 F157 V175 L238 V260 Y262 F287T149-L153 HydrophobicContact CG2-CD1 3.92Å; T149-L153 HydrophobicContact CG2-CG 4.26Å; T149-L153 VanDerWaalsContact O-CG 3.26Å; T149-L153 WeakPolarHBondContact O-CG 3.21Å; T149-L153 PolarHBondContact O-N 2.86Å; A150-L153 PolarHBondContact O-N 2.86Å; L153-F157 HydrophobicContact CD2-CE2 4.16Å; L153-V175 HydrophobicContact CD1-CG1 3.95Å; L153-L238 HydrophobicContact CB-CD1 4.19Å; L153-L238 HydrophobicContact CB-CD2 3.98Å; L153-L238 HydrophobicContact CD1-CD1 4.33Å; L153-L238 HydrophobicContact CD1-CD2 4.4Å; L153-L238 HydrophobicContact CD2-CD2 4.13Å; L153-L238 HydrophobicContact CG-CD2 4.4Å; L153-V260 HydrophobicContact CD2-CB 4.1Å; L153-V260 HydrophobicContact CD2-CG1 3.45Å; L153-V260 VanDerWaalsContact CD2-CG1 3.45Å; L153-Y262 HydrophobicContact CD1-CD1 3.46Å; L153-Y262 VanDerWaalsContact CD1-CD1 3.46Å; L153-Y262 HydrophobicContact CD1-CD2 4.29Å; L153-Y262 HydrophobicContact CD1-CE1 3.74Å; L153-Y262 HydrophobicContact CD1-CG 3.75Å; L153-Y262 HydrophobicContact CD2-CD1 4.22Å; L153-Y262 HydrophobicContact CD2-CG 4.42Å; L153-Y262 HydrophobicContact CG-CD1 4.49Å; L153-F287 HydrophobicContact CD2-CB 4.02Å; L153-F287 HydrophobicContact CD2-CD1 3.57Å; L153-F287 HydrophobicContact CD2-CE1 4.36Å; L153-F287 HydrophobicContact CD2-CG 4.05Å; L153-F287 HydrophobicContact CG-CD1 3.99Å; L153-F287 HydrophobicContact CG-CE1 4.36Å
154L98.6Very high97.2Very high2 Ų240.9 Ų40.91%0.0121%0.212CC..Hα-helixtrans-80.3-31.1179.9-67.6171.1000113.1A150 L151 H152 L166 V179 I182 A183 L186 Y188 L236A150-L154 WeakPolarHBondContact O-CG 3.4Å; A150-L154 PolarHBondContact O-N 3.27Å; L151-L154 PolarHBondContact O-N 3.38Å; H152-L154 VanDerWaalsContact C-N 3.27Å; H152-L154 PolarHBondContact O-N 3.06Å; L154-L166 HydrophobicContact CD2-CD1 4.17Å; L154-L166 HydrophobicContact CD2-CD2 3.65Å; L154-V179 HydrophobicContact CD2-CG1 4.42Å; L154-I182 HydrophobicContact CD1-CB 3.73Å; L154-I182 HydrophobicContact CD1-CG2 3.53Å; L154-A183 HydrophobicContact CD1-CB 4.28Å; L154-L186 HydrophobicContact CB-CD1 4.24Å; L154-L186 HydrophobicContact CD1-CD1 4.39Å; L154-Y188 HydrophobicContact CD2-CD2 4.37Å; L154-L236 HydrophobicContact CD2-CD2 4.47Å
155N97.1Very high97.4Very high83 Ų8341.3 Ų41.344%0.44421%0.211SC..Hα-helixtrans-99-21.9-171.2-70.7-4.3000115.5L151 H152L151-N155 WeakPolarHBondContact CD1-ND2 3.28Å; L151-N155 WeakPolarHBondContact O-CB 3.47Å; L151-N155 PolarHBondContact O-N 3.32Å; H152-N155 PolarHBondContact O-N 2.85Å
156N96.6Very high97.5Very high79 Ų7940 Ų4042%0.42221%0.205SC..SBendtrans-114.95.7-163.1-66.2-31.9000115.8H152 F292H152-N156 PolarHBondContact ND1-ND2 3.06Å; H152-N156 WeakPolarHBondContact O-CB 3.37Å; H152-N156 PolarHBondContact O-N 3.4Å; H152-N156 VanDerWaalsContact O-N 3.11Å; N156-F292 VanDerWaalsContact ND2-CZ 3.34Å; N156-F292 WeakPolarHBondContact ND2-CZ 3.49Å
157F97.7Very high97.6Very high43 Ų4339.4 Ų39.419%0.18920%0.201CC..SBendtrans-123.3-47.1-173.2-70.3-85.3000113.9L153 L236 V260 R285 F287L153-F157 HydrophobicContact CD2-CE2 4.16Å; F157-L236 HydrophobicContact CB-CD1 4.41Å; F157-V260 HydrophobicContact CB-CG2 3.72Å; F157-V260 HydrophobicContact CD1-CB 4.48Å; F157-V260 HydrophobicContact CD1-CG1 4.08Å; F157-V260 HydrophobicContact CD1-CG2 3.52Å; F157-V260 HydrophobicContact CD2-CG1 4.19Å; F157-V260 HydrophobicContact CD2-CG2 3.97Å; F157-V260 HydrophobicContact CE1-CG1 3.79Å; F157-V260 HydrophobicContact CE1-CG2 4.1Å; F157-V260 HydrophobicContact CE2-CG1 3.91Å; F157-V260 HydrophobicContact CG-CG1 4.28Å; F157-V260 HydrophobicContact CG-CG2 3.45Å; F157-V260 VanDerWaalsContact CG-CG2 3.45Å; F157-V260 HydrophobicContact CZ-CG1 3.71Å; F157-R285 HydrophobicContact CD1-CB 4.15Å; F157-R285 HydrophobicContact CD1-CG 4.43Å; F157-R285 HydrophobicContact CE1-CB 4.01Å; F157-F287 HydrophobicContact CE2-CB 4.14Å; F157-F287 AromaticContact CE2-CD2 3.84Å; F157-F287 HydrophobicContact CE2-CD2 3.84Å; F157-F287 HydrophobicContact CE2-CE2 4.38Å; F157-F287 AromaticContact CE2-CG 3.92Å; F157-F287 HydrophobicContact CE2-CG 3.92Å; F157-F287 HydrophobicContact CZ-CB 3.62Å; F157-F287 AromaticContact CZ-CD2 3.52Å; F157-F287 HydrophobicContact CZ-CD2 3.52Å; F157-F287 HydrophobicContact CZ-CE2 4.38Å; F157-F287 AromaticContact CZ-CG 3.72Å; F157-F287 HydrophobicContact CZ-CG 3.72Å
158V97.6Very high97.6Very high25 Ų2539.4 Ų39.415%0.15220%0.201CC..SBendtrans-137.2129.5-178.9176.10000107.3L160 K235 L236V158-L160 HydrophobicContact CG1-CD2 3.89Å; V158-L160 HydrophobicContact CG1-CG 4.35Å; V158-L160 PolarHBondContact O-N 3.18Å; V158-L160 VanDerWaalsContact O-N 3.15Å; V158-K235 HydrophobicContact CG1-CB 3.81Å; V158-L236 HydrophobicContact CB-CB 4.25Å; V158-L236 HydrophobicContact CB-CD1 4.41Å; V158-L236 HydrophobicContact CG2-CB 4.28Å; V158-L236 HydrophobicContact CG2-CD1 3.97Å
159E96.6Very high97.6Very high163 Ų16339.2 Ų39.276%0.76220%0.2SC*.  trans-74.3103172.8-170.5-178.1163.800109.4Q161E159-Q161 PolarHBondContact OE1-NE2 3.35Å
160L97.1Very high97.5Very high8 Ų839 Ų394%0.04220%0.201CC..PPolyproline II helixtrans-93.3138.8177.2-64.5176.9000110.7V158 D164 L166 Y188 K235 L236V158-L160 HydrophobicContact CG1-CD2 3.89Å; V158-L160 HydrophobicContact CG1-CG 4.35Å; V158-L160 PolarHBondContact O-N 3.18Å; V158-L160 VanDerWaalsContact O-N 3.15Å; L160-D164 HydrophobicContact CB-CB 4.3Å; L160-D164 HydrophobicContact CD2-CB 4.03Å; L160-L166 HydrophobicContact CD1-CB 4.36Å; L160-L166 HydrophobicContact CD1-CD2 3.89Å; L160-Y188 HydrophobicContact CB-CD1 3.97Å; L160-Y188 HydrophobicContact CB-CD2 4.32Å; L160-Y188 HydrophobicContact CB-CE1 3.56Å; L160-Y188 HydrophobicContact CB-CE2 3.93Å; L160-Y188 HydrophobicContact CB-CG 4.34Å; L160-Y188 HydrophobicContact CD1-CD2 3.92Å; L160-Y188 HydrophobicContact CD1-CE2 4.03Å; L160-Y188 HydrophobicContact CD1-CG 4.28Å; L160-Y188 WeakPolarHBondContact O-CE1 3.47Å; L160-Y188 PolarHBondContact O-OH 3.15Å; L160-Y188 VanDerWaalsContact O-OH 3.06Å; L160-K235 HydrophobicContact CD2-CB 4.04Å; L160-K235 HydrophobicContact CD2-CD 4.38Å; L160-L236 HydrophobicContact CD1-CB 4.33Å; L160-L236 HydrophobicContact CD1-CD2 3.91Å; L160-L236 HydrophobicContact CD2-CB 4.29Å
161Q96.8Very high97.5Very high104 Ų10439 Ų3949%0.48620%0.201SC..PPolyproline II helixtrans-94.8157.2174-57-59.2-49.500110.4E159 G163 D164 Y188E159-Q161 PolarHBondContact OE1-NE2 3.35Å; Q161-G163 PolarHBondContact O-N 3.3Å; Q161-D164 PolarHBondContact N-OD2 2.91Å; Q161-D164 WeakPolarHBondContact O-CB 3.41Å; Q161-D164 PolarHBondContact O-N 3.37Å; Q161-Y188 WeakPolarHBondContact O-CD1 3.37Å
162K97.4Very high97.3Very high183 Ų18341.1 Ų41.180%0.79621%0.214SC*.THydrogen-bonded Turntrans-54.4130.6173.3-177176.6-179.5179.20110.1D164K162-D164 VanDerWaalsContact C-N 3.34Å
163G96.3Very high97.2Very high38 Ų3841.8 Ų41.839%0.39222%0.22SC..THydrogen-bonded Turntrans90.3-16.7-17600000114.6Q161 G187 N189Q161-G163 PolarHBondContact O-N 3.3Å; G163-G187 PolarHBondContact N-O 3.2Å; G163-N189 PolarHBondContact O-ND2 2.79Å
164D96.9Very high97Very high33 Ų3342 Ų4218%0.17622%0.222CC..  trans-57.5149.5173.8-81.4-18.5000110.6L160 Q161 K162 N189 K235L160-D164 HydrophobicContact CB-CB 4.3Å; L160-D164 HydrophobicContact CD2-CB 4.03Å; Q161-D164 PolarHBondContact N-OD2 2.91Å; Q161-D164 WeakPolarHBondContact O-CB 3.41Å; Q161-D164 PolarHBondContact O-N 3.37Å; K162-D164 VanDerWaalsContact C-N 3.34Å; D164-N189 PolarHBondContact O-N 3.44Å; D164-K235 VanDerWaalsContact CG-NZ 3.34Å; D164-K235 IonicContact OD1-NZ 2.65Å; D164-K235 PolarHBondContact OD1-NZ 3.03Å; D164-K235 VanDerWaalsContact OD1-NZ 3.14Å; D164-K235 IonicContact OD2-NZ 2.63Å; D164-K235 PolarHBondContact OD2-NZ 3.31Å
165I97.3Very high97Very high24 Ų2442.5 Ų42.512%0.12323%0.225CC..EExtended strand (participates in β ladder)trans-109.8126.9-177.5-42.4175.2000109.1N189 V191 W217 F234I165-N189 WeakPolarHBondContact CA-O 3.48Å; I165-N189 HydrophobicContact CB-CB 4.37Å; I165-N189 HydrophobicContact CG1-CB 4Å; I165-N189 HydrophobicContact CG2-CB 4.16Å; I165-V191 HydrophobicContact CG2-CG2 3.98Å; I165-W217 HydrophobicContact CD1-CH2 3.89Å; I165-W217 HydrophobicContact CD1-CZ3 3.92Å; I165-W217 HydrophobicContact CG1-CZ3 4.24Å; I165-W217 HydrophobicContact CG2-CE3 4.29Å; I165-W217 HydrophobicContact CG2-CZ3 3.74Å; I165-F234 HydrophobicContact CB-CD1 4.13Å; I165-F234 HydrophobicContact CB-CE1 4.21Å; I165-F234 HydrophobicContact CG2-CD1 3.87Å; I165-F234 HydrophobicContact CG2-CE1 3.58Å
166L98.2Very high97Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-109.1154.7166.768.9118000110.7L154 L160 V179 A183 Y188 N189 T190 V191 L236 L238L154-L166 HydrophobicContact CD2-CD1 4.17Å; L154-L166 HydrophobicContact CD2-CD2 3.65Å; L160-L166 HydrophobicContact CD1-CB 4.36Å; L160-L166 HydrophobicContact CD1-CD2 3.89Å; L166-V179 HydrophobicContact CD1-CG1 3.89Å; L166-A183 HydrophobicContact CD2-CB 4.15Å; L166-Y188 HydrophobicContact CD2-CD2 4.23Å; L166-N189 PolarHBondContact N-O 3.21Å; L166-T190 HydrophobicContact CD1-CG2 4.23Å; L166-T190 HydrophobicContact CD2-CG2 4.06Å; L166-T190 HydrophobicContact CG-CG2 4Å; L166-T190 WeakPolarHBondContact O-CA 3.43Å; L166-V191 PolarHBondContact O-N 2.86Å; L166-L236 WeakPolarHBondContact CA-O 3.45Å; L166-L236 HydrophobicContact CB-CB 4.12Å; L166-L236 HydrophobicContact CB-CD2 4.47Å; L166-L236 HydrophobicContact CB-CG 4.45Å; L166-L236 WeakPolarHBondContact CB-O 3.42Å; L166-L238 HydrophobicContact CD1-CD1 3.86Å; L166-L238 HydrophobicContact CD1-CG 4.3Å
167I98.4Very high97.1Very high0 Ų034.9 Ų34.90%018%0.184CC..EExtended strand (participates in β ladder)trans-116.9141.5176.7-172.9168.2000110.5V191 L193 Y224 F234 L236 A237 L238 L249I167-V191 CarbonylContact C-O 3.56Å; I167-V191 WeakPolarHBondContact CA-O 3.48Å; I167-V191 HydrophobicContact CB-CB 4.15Å; I167-V191 HydrophobicContact CD1-CB 4.33Å; I167-V191 HydrophobicContact CD1-CG1 3.91Å; I167-V191 HydrophobicContact CG1-CB 3.89Å; I167-V191 HydrophobicContact CG1-CG1 3.85Å; I167-L193 HydrophobicContact CD1-CD1 4.12Å; I167-L193 HydrophobicContact CD1-CG 4.43Å; I167-L193 HydrophobicContact CG1-CD1 4.44Å; I167-L193 HydrophobicContact CG1-CG 4.42Å; I167-Y224 HydrophobicContact CD1-CD2 4.42Å; I167-Y224 HydrophobicContact CD1-CE1 4.16Å; I167-Y224 HydrophobicContact CD1-CE2 3.66Å; I167-Y224 WeakPolarHBondContact CD1-OH 3.4Å; I167-F234 HydrophobicContact CB-CD1 3.86Å; I167-F234 HydrophobicContact CB-CD2 4.23Å; I167-F234 HydrophobicContact CB-CE1 4.04Å; I167-F234 HydrophobicContact CB-CE2 4.43Å; I167-F234 HydrophobicContact CB-CG 3.96Å; I167-F234 HydrophobicContact CB-CZ 4.33Å; I167-F234 HydrophobicContact CD1-CD2 4.43Å; I167-F234 HydrophobicContact CD1-CE2 4.06Å; I167-F234 HydrophobicContact CD1-CZ 4.2Å; I167-F234 HydrophobicContact CG2-CB 3.94Å; I167-F234 HydrophobicContact CG2-CD1 4.14Å; I167-F234 HydrophobicContact CG2-CD2 3.94Å; I167-F234 HydrophobicContact CG2-CG 3.73Å; I167-L236 PolarHBondContact N-O 2.93Å; I167-L236 VanDerWaalsContact N-O 3.12Å; I167-A237 HydrophobicContact CG2-CB 3.63Å; I167-A237 CarbonylContact O-C 3.53Å; I167-A237 WeakPolarHBondContact O-CA 3.3Å; I167-L238 PolarHBondContact O-N 2.74Å; I167-L249 HydrophobicContact CB-CD2 4.44Å; I167-L249 HydrophobicContact CD1-CD2 3.94Å; I167-L249 HydrophobicContact CG1-CD2 3.7Å; I167-L249 HydrophobicContact CG2-CD2 4.05Å
168Q98.5Very high97.2Very high0 Ų032.8 Ų32.80%018%0.175CC..EExtended strand (participates in β ladder)trans-137.3149.5174.764.8172.2-38.700112.3A171 G176 V191 N192 L193 L238Q168-A171 HydrophobicContact CG-CB 4.42Å; Q168-G176 PolarHBondContact NE2-O 3.01Å; Q168-V191 PolarHBondContact N-O 3.27Å; Q168-N192 PolarHBondContact NE2-OD1 3.41Å; Q168-L193 WeakPolarHBondContact O-CB 3.33Å; Q168-L193 PolarHBondContact O-N 3.3Å; Q168-L238 VanDerWaalsContact CA-O 3.31Å; Q168-L238 WeakPolarHBondContact CA-O 3.27Å; Q168-L238 HydrophobicContact CB-CB 3.91Å
169N97.3Very high97.2Very high1 Ų131.6 Ų31.61%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-106161.8164.271.621.4000111A171 L193 L238 N239 C240 L241 L249N169-A171 VanDerWaalsContact C-N 3.32Å; N169-L193 HydrophobicContact CB-CB 4.43Å; N169-L238 PolarHBondContact N-O 2.68Å; N169-L238 VanDerWaalsContact N-O 3.11Å; N169-N239 PolarHBondContact ND2-OD1 3.41Å; N169-N239 WeakPolarHBondContact OD1-CA 3.34Å; N169-N239 PolarHBondContact OD1-OD1 3.43Å; N169-C240 PolarHBondContact OD1-N 2.85Å; N169-L241 HydrophobicContact CB-CD1 4.05Å; N169-L241 HydrophobicContact CB-CG 4.39Å; N169-L241 PolarHBondContact OD1-N 3.39Å; N169-L249 HydrophobicContact CB-CD1 4.25Å; N169-L249 HydrophobicContact CB-CD2 4.43Å; N169-L249 WeakPolarHBondContact ND2-CD1 3.27Å
170G95.5Very high97.3Very high9 Ų923.9 Ų23.99%0.09313%0.132CC..  trans65.837.4-174.900000112.1T172 S173 L193G170-T172 PolarHBondContact O-N 3Å; G170-T172 VanDerWaalsContact O-N 3.09Å; G170-S173 WeakPolarHBondContact O-CB 3.33Å; G170-S173 PolarHBondContact O-N 3.05Å; G170-S173 PolarHBondContact O-OG 3.5Å; G170-L193 PolarHBondContact N-O 3.34Å
171A97.5Very high97.4Very high0 Ų023.9 Ų23.90%013%0.132CC..THydrogen-bonded Turntrans-59.6-23.1-174.900000114.1Q168 N169 S173 G176 I177 N192 L193 L210Q168-A171 HydrophobicContact CG-CB 4.42Å; N169-A171 VanDerWaalsContact C-N 3.32Å; A171-S173 VanDerWaalsContact C-N 3.29Å; A171-G176 CarbonylContact O-C 3.02Å; A171-I177 PolarHBondContact O-N 3.14Å; A171-N192 HydrophobicContact CB-CB 3.7Å; A171-L193 WeakPolarHBondContact CB-O 3.35Å; A171-L193 PolarHBondContact N-O 3.44Å; A171-L193 VanDerWaalsContact N-O 3.1Å; A171-L210 HydrophobicContact CB-CD1 3.95Å; A171-L210 HydrophobicContact CB-CD2 4.22Å; A171-L210 WeakPolarHBondContact O-CD2 3.36Å
172T95.7Very high97.5Very high53 Ų5319 Ų1933%0.32511%0.109SC..THydrogen-bonded Turntrans-83.1-0.9175.159.30000113.9G170 F194 T206 L210G170-T172 PolarHBondContact O-N 3Å; G170-T172 VanDerWaalsContact O-N 3.09Å; T172-F194 HydrophobicContact CG2-CB 4.05Å; T172-T206 HydrophobicContact CG2-CG2 3.57Å; T172-L210 HydrophobicContact CG2-CD1 4.29Å; T172-L210 HydrophobicContact CG2-CD2 4.15Å; T172-L210 HydrophobicContact CG2-CG 4.45Å
173S95Very high97.6Very high30 Ų3010.2 Ų10.221%0.217%0.071CC..SBendtrans-68.5156170.569.10000110.4G170 A171 V175 G176 I177G170-S173 WeakPolarHBondContact O-CB 3.33Å; G170-S173 PolarHBondContact O-N 3.05Å; G170-S173 PolarHBondContact O-OG 3.5Å; A171-S173 VanDerWaalsContact C-N 3.29Å; S173-V175 VanDerWaalsContact C-N 3.28Å; S173-V175 PolarHBondContact O-N 3.32Å; S173-G176 PolarHBondContact O-N 3.22Å; S173-G176 PolarHBondContact OG-N 3.07Å; S173-I177 WeakPolarHBondContact O-CG1 3.24Å; S173-I177 PolarHBondContact O-N 2.95Å
174A95.5Very high97.7Very high5 Ų514.9 Ų14.94%0.0418%0.08CC..Hα-helixtrans-56.9-43.4177.300000111.8N146 G176 I177 Y178 K350N146-A174 HydrophobicContact CB-CB 3.91Å; A174-G176 PolarHBondContact O-N 3.32Å; A174-I177 PolarHBondContact O-N 2.95Å; A174-Y178 WeakPolarHBondContact O-CD2 3.26Å; A174-Y178 PolarHBondContact O-N 2.74Å; A174-Y178 VanDerWaalsContact O-N 3.15Å; A174-K350 HydrophobicContact CB-CG 4.46Å
175V97.7Very high97.8Very high11 Ų1116.1 Ų16.17%0.0679%0.086CC..Hα-helixtrans-59.8-46.9173.6-179.90000110.9N146 T149 A150 L153 S173 I177 Y178 V179 Y262N146-V175 HydrophobicContact CB-CG2 4.17Å; N146-V175 WeakPolarHBondContact OD1-CG2 3.3Å; T149-V175 HydrophobicContact CG2-CG1 3.85Å; T149-V175 HydrophobicContact CG2-CG2 4.09Å; A150-V175 HydrophobicContact CB-CG1 4.22Å; L153-V175 HydrophobicContact CD1-CG1 3.95Å; S173-V175 VanDerWaalsContact C-N 3.28Å; S173-V175 PolarHBondContact O-N 3.32Å; V175-I177 VanDerWaalsContact C-N 3.34Å; V175-I177 PolarHBondContact O-N 3.42Å; V175-Y178 CarbonylContact O-C 3.45Å; V175-Y178 PolarHBondContact O-N 2.88Å; V175-Y178 VanDerWaalsContact O-N 3.12Å; V175-V179 HydrophobicContact CG1-CG2 4.21Å; V175-V179 WeakPolarHBondContact O-CG2 3.3Å; V175-V179 PolarHBondContact O-N 3.23Å; V175-Y262 HydrophobicContact CB-CE2 3.62Å; V175-Y262 HydrophobicContact CG1-CD2 4.16Å; V175-Y262 HydrophobicContact CG1-CE1 4.45Å; V175-Y262 HydrophobicContact CG1-CE2 3.47Å; V175-Y262 VanDerWaalsContact CG1-CE2 3.47Å; V175-Y262 HydrophobicContact CG2-CD2 4.47Å; V175-Y262 HydrophobicContact CG2-CE2 3.89Å
176G98.1Very high97.8Very high0 Ų017.6 Ų17.60%09%0.094CC..Hα-helixtrans-61.3-38.6-179.300000114Q168 A171 S173 A174 V179 I180Q168-G176 PolarHBondContact NE2-O 3.01Å; A171-G176 CarbonylContact O-C 3.02Å; S173-G176 PolarHBondContact O-N 3.22Å; S173-G176 PolarHBondContact OG-N 3.07Å; A174-G176 PolarHBondContact O-N 3.32Å; G176-V179 WeakPolarHBondContact O-CB 3.49Å; G176-V179 PolarHBondContact O-N 2.84Å; G176-I180 WeakPolarHBondContact O-CG1 3.32Å; G176-I180 PolarHBondContact O-N 2.78Å; G176-I180 VanDerWaalsContact O-N 3.07Å
177I98.3Very high97.8Very high2 Ų218.6 Ų18.61%0.0111%0.105CC..Hα-helixtrans-62.8-42.9172.9-63.9-61.8000111.2A171 S173 A174 V175 I180 Q181 L210 Y213A171-I177 PolarHBondContact O-N 3.14Å; S173-I177 WeakPolarHBondContact O-CG1 3.24Å; S173-I177 PolarHBondContact O-N 2.95Å; A174-I177 PolarHBondContact O-N 2.95Å; V175-I177 VanDerWaalsContact C-N 3.34Å; V175-I177 PolarHBondContact O-N 3.42Å; I177-I180 PolarHBondContact O-N 2.82Å; I177-Q181 WeakPolarHBondContact O-CG 3.36Å; I177-Q181 PolarHBondContact O-N 3.21Å; I177-Q181 PolarHBondContact O-NE2 3.35Å; I177-L210 HydrophobicContact CD1-CD2 3.42Å; I177-L210 VanDerWaalsContact CD1-CD2 3.42Å; I177-Y213 HydrophobicContact CD1-CD2 3.82Å; I177-Y213 HydrophobicContact CD1-CE2 3.98Å; I177-Y213 HydrophobicContact CG2-CD1 3.93Å; I177-Y213 HydrophobicContact CG2-CD2 3.82Å; I177-Y213 HydrophobicContact CG2-CE1 3.87Å; I177-Y213 HydrophobicContact CG2-CE2 3.78Å; I177-Y213 HydrophobicContact CG2-CG 3.89Å
178Y98.7Very high97.8Very high0 Ų020.1 Ų20.10%011%0.11CC..Hα-helixtrans-71.6-32.4176-68.3-61.1000112.8N146 P147 A174 V175 I180 Q181 I182 F312 K318 P319 S320N146-Y178 HydrophobicContact CB-CD2 3.95Å; N146-Y178 HydrophobicContact CB-CE2 4Å; P147-Y178 HydrophobicContact CB-CD1 4.16Å; P147-Y178 HydrophobicContact CB-CD2 4.12Å; P147-Y178 HydrophobicContact CB-CE1 4.45Å; P147-Y178 HydrophobicContact CB-CE2 4.43Å; P147-Y178 HydrophobicContact CB-CG 4Å; P147-Y178 HydrophobicContact CG-CD1 4.14Å; P147-Y178 HydrophobicContact CG-CD2 3.72Å; P147-Y178 HydrophobicContact CG-CE1 3.99Å; P147-Y178 HydrophobicContact CG-CE2 3.57Å; P147-Y178 HydrophobicContact CG-CG 4.02Å; A174-Y178 WeakPolarHBondContact O-CD2 3.26Å; A174-Y178 PolarHBondContact O-N 2.74Å; A174-Y178 VanDerWaalsContact O-N 3.15Å; V175-Y178 CarbonylContact O-C 3.45Å; V175-Y178 PolarHBondContact O-N 2.88Å; V175-Y178 VanDerWaalsContact O-N 3.12Å; Y178-I180 VanDerWaalsContact C-N 3.32Å; Y178-I180 PolarHBondContact O-N 3.22Å; Y178-Q181 PolarHBondContact O-N 3.49Å; Y178-I182 WeakPolarHBondContact O-CB 3.32Å; Y178-I182 VanDerWaalsContact O-CG1 3.23Å; Y178-I182 WeakPolarHBondContact O-CG1 3.4Å; Y178-I182 PolarHBondContact O-N 2.94Å; Y178-F312 HydrophobicContact CE1-CE1 4.36Å; Y178-F312 HydrophobicContact CE1-CE2 4.45Å; Y178-F312 AromaticContact CE1-CZ 3.64Å; Y178-F312 HydrophobicContact CE1-CZ 3.64Å; Y178-F312 AromaticContact CZ-CZ 4Å; Y178-K318 WeakPolarHBondContact CE1-O 3.43Å; Y178-P319 WeakPolarHBondContact OH-CA 3.46Å; Y178-S320 PolarHBondContact OH-N 3.03Å
179V98.9Very high97.8Very high0 Ų022.6 Ų22.60%012%0.124CC..Hα-helixtrans-57.7-46.8171.7164.70000110.1A150 L154 L166 V175 G176 Q181 A183 L238A150-V179 HydrophobicContact CB-CG2 3.74Å; L154-V179 HydrophobicContact CD2-CG1 4.42Å; L166-V179 HydrophobicContact CD1-CG1 3.89Å; V175-V179 HydrophobicContact CG1-CG2 4.21Å; V175-V179 WeakPolarHBondContact O-CG2 3.3Å; V175-V179 PolarHBondContact O-N 3.23Å; G176-V179 WeakPolarHBondContact O-CB 3.49Å; G176-V179 PolarHBondContact O-N 2.84Å; V179-Q181 PolarHBondContact O-N 3.18Å; V179-A183 WeakPolarHBondContact O-CB 3.35Å; V179-A183 PolarHBondContact O-N 2.89Å; V179-L238 HydrophobicContact CB-CD1 4.45Å; V179-L238 HydrophobicContact CG1-CD1 3.73Å; V179-L238 HydrophobicContact CG2-CD1 3.8Å
180I98.9Very high97.8Very high0 Ų022.6 Ų22.60%012%0.124CC..Hα-helixtrans-56.4-50.9178.3-71.7167.6000111.1G176 I177 Y178 K184 N192 L210 G214G176-I180 WeakPolarHBondContact O-CG1 3.32Å; G176-I180 PolarHBondContact O-N 2.78Å; G176-I180 VanDerWaalsContact O-N 3.07Å; I177-I180 PolarHBondContact O-N 2.82Å; Y178-I180 VanDerWaalsContact C-N 3.32Å; Y178-I180 PolarHBondContact O-N 3.22Å; I180-K184 PolarHBondContact O-N 2.93Å; I180-N192 HydrophobicContact CD1-CB 4.29Å; I180-N192 WeakPolarHBondContact CG1-OD1 3.39Å; I180-L210 HydrophobicContact CD1-CB 4.28Å; I180-L210 HydrophobicContact CD1-CD2 3.79Å; I180-G214 VanDerWaalsContact CG2-C 3.43Å
181Q98.8Very high97.9Very high9 Ų922.2 Ų22.24%0.04212%0.12CC..Hα-helixtrans-68.4-45-174.2-64.8-179.392.900111.8I177 Y178 V179 K184 I185 Y213 I317 K318I177-Q181 WeakPolarHBondContact O-CG 3.36Å; I177-Q181 PolarHBondContact O-N 3.21Å; I177-Q181 PolarHBondContact O-NE2 3.35Å; Y178-Q181 PolarHBondContact O-N 3.49Å; V179-Q181 PolarHBondContact O-N 3.18Å; Q181-K184 WeakPolarHBondContact O-CB 3.43Å; Q181-K184 PolarHBondContact O-N 3.38Å; Q181-I185 WeakPolarHBondContact O-CG1 3.45Å; Q181-I185 PolarHBondContact O-N 2.89Å; Q181-I185 VanDerWaalsContact O-N 3.09Å; Q181-Y213 VanDerWaalsContact CD-CD1 3.43Å; Q181-Y213 HydrophobicContact CG-CD1 3.92Å; Q181-Y213 HydrophobicContact CG-CG 4.33Å; Q181-Y213 WeakPolarHBondContact CG-O 3.47Å; Q181-I317 HydrophobicContact CB-CB 4.42Å; Q181-I317 HydrophobicContact CB-CG2 3.9Å; Q181-K318 PolarHBondContact NE2-O 2.97Å; Q181-K318 PolarHBondContact OE1-O 2.87Å
182I98.8Very high98Very high0 Ų022.2 Ų22.20%012%0.12CC..Hα-helixtrans-68.6-40.9179.4-62.6169.9000110.2A150 L151 L154 Y178 K184 I185 L186 L308 W311 I317A150-I182 HydrophobicContact CB-CD1 3.95Å; L151-I182 HydrophobicContact CB-CD1 4.12Å; L151-I182 HydrophobicContact CD1-CG2 3.97Å; L154-I182 HydrophobicContact CD1-CB 3.73Å; L154-I182 HydrophobicContact CD1-CG2 3.53Å; Y178-I182 WeakPolarHBondContact O-CB 3.32Å; Y178-I182 VanDerWaalsContact O-CG1 3.23Å; Y178-I182 WeakPolarHBondContact O-CG1 3.4Å; Y178-I182 PolarHBondContact O-N 2.94Å; I182-K184 VanDerWaalsContact C-N 3.28Å; I182-K184 PolarHBondContact O-N 3.2Å; I182-I185 PolarHBondContact O-N 3.04Å; I182-I185 VanDerWaalsContact O-N 3.13Å; I182-L186 HydrophobicContact CG2-CD1 3.84Å; I182-L186 HydrophobicContact CG2-CG 4.21Å; I182-L186 VanDerWaalsContact O-CG 3.31Å; I182-L186 WeakPolarHBondContact O-CG 3.15Å; I182-L186 PolarHBondContact O-N 2.87Å; I182-L308 HydrophobicContact CD1-CD2 4.14Å; I182-W311 HydrophobicContact CB-CZ3 4.46Å; I182-W311 HydrophobicContact CD1-CZ3 4.25Å; I182-W311 HydrophobicContact CG1-CE3 4.32Å; I182-W311 HydrophobicContact CG1-CZ3 3.88Å; I182-W311 HydrophobicContact CG2-CH2 4.06Å; I182-W311 HydrophobicContact CG2-CZ3 3.89Å; I182-I317 HydrophobicContact CG1-CG2 4.44Å
183A98.8Very high98.1Very high0 Ų019.8 Ų19.80%011%0.105CC..Hα-helixtrans-57-43.3174.100000111.5L154 L166 V179 I185 L186 G187 Y188 T190L154-A183 HydrophobicContact CD1-CB 4.28Å; L166-A183 HydrophobicContact CD2-CB 4.15Å; V179-A183 WeakPolarHBondContact O-CB 3.35Å; V179-A183 PolarHBondContact O-N 2.89Å; A183-I185 PolarHBondContact O-N 2.71Å; A183-L186 CarbonylContact O-C 3.51Å; A183-L186 PolarHBondContact O-N 2.95Å; A183-G187 PolarHBondContact O-N 3.3Å; A183-Y188 HydrophobicContact CB-CD2 4.41Å; A183-Y188 PolarHBondContact O-N 3.18Å; A183-T190 HydrophobicContact CB-CG2 3.47Å; A183-T190 VanDerWaalsContact CB-CG2 3.47Å
184K98.6Very high98.1Very high136 Ų13618.5 Ų18.559%0.59110%0.095SC*.Hα-helixtrans-60.3-44.7174.7179.6179.4175.4-174.60112.4I180 Q181 I182 L186 G187I180-K184 PolarHBondContact O-N 2.93Å; Q181-K184 WeakPolarHBondContact O-CB 3.43Å; Q181-K184 PolarHBondContact O-N 3.38Å; I182-K184 VanDerWaalsContact C-N 3.28Å; I182-K184 PolarHBondContact O-N 3.2Å; K184-L186 VanDerWaalsContact C-N 3.3Å; K184-L186 PolarHBondContact O-N 3.15Å; K184-G187 PolarHBondContact O-N 2.69Å; K184-G187 VanDerWaalsContact O-N 3.11Å
185I98.4Very high98Very high58 Ų5821.4 Ų21.430%0.29711%0.105SC..Hα-helixtrans-60.3-42.4176.6-67.8167.6000110.8Q181 I182 A183 G187 W311 L316 I317Q181-I185 WeakPolarHBondContact O-CG1 3.45Å; Q181-I185 PolarHBondContact O-N 2.89Å; Q181-I185 VanDerWaalsContact O-N 3.09Å; I182-I185 PolarHBondContact O-N 3.04Å; I182-I185 VanDerWaalsContact O-N 3.13Å; A183-I185 PolarHBondContact O-N 2.71Å; I185-G187 PolarHBondContact O-N 2.87Å; I185-W311 HydrophobicContact CD1-CD2 3.93Å; I185-W311 HydrophobicContact CD1-CE3 4.21Å; I185-W311 HydrophobicContact CD1-CG 4.16Å; I185-W311 HydrophobicContact CG2-CZ2 3.86Å; I185-L316 HydrophobicContact CD1-CB 3.84Å; I185-L316 HydrophobicContact CG1-CB 4.42Å; I185-I317 HydrophobicContact CD1-CG2 3.46Å; I185-I317 VanDerWaalsContact CD1-CG2 3.46Å
186L98.1Very high97.8Very high55 Ų5526.4 Ų26.429%0.28813%0.128SC..Hα-helixtrans-76.9-5.7178.6-60.6177000113.2L154 I182 A183 K184 Y188L154-L186 HydrophobicContact CB-CD1 4.24Å; L154-L186 HydrophobicContact CD1-CD1 4.39Å; I182-L186 HydrophobicContact CG2-CD1 3.84Å; I182-L186 HydrophobicContact CG2-CG 4.21Å; I182-L186 VanDerWaalsContact O-CG 3.31Å; I182-L186 WeakPolarHBondContact O-CG 3.15Å; I182-L186 PolarHBondContact O-N 2.87Å; A183-L186 CarbonylContact O-C 3.51Å; A183-L186 PolarHBondContact O-N 2.95Å; K184-L186 VanDerWaalsContact C-N 3.3Å; K184-L186 PolarHBondContact O-N 3.15Å; L186-Y188 HydrophobicContact CB-CD2 3.85Å; L186-Y188 HydrophobicContact CB-CE1 4.25Å; L186-Y188 HydrophobicContact CB-CE2 3.54Å; L186-Y188 HydrophobicContact CB-CG 4.34Å; L186-Y188 HydrophobicContact CD1-CD2 4.3Å; L186-Y188 HydrophobicContact CD1-CE2 3.59Å; L186-Y188 HydrophobicContact CG-CE2 4.22Å
187G98Very high97.5Very high22 Ų2227 Ų2723%0.22713%0.13CC..THydrogen-bonded Turntrans77.922.9178.400000114.5G163 A183 K184 I185G163-G187 PolarHBondContact N-O 3.2Å; A183-G187 PolarHBondContact O-N 3.3Å; K184-G187 PolarHBondContact O-N 2.69Å; K184-G187 VanDerWaalsContact O-N 3.11Å; I185-G187 PolarHBondContact O-N 2.87Å
188Y98.3Very high97.1Very high31 Ų3129.8 Ų29.812%0.12216%0.159CC..  trans-90.4152.5173.2-47.8-34.9000111.1L154 L160 Q161 L166 A183 L186L154-Y188 HydrophobicContact CD2-CD2 4.37Å; L160-Y188 HydrophobicContact CB-CD1 3.97Å; L160-Y188 HydrophobicContact CB-CD2 4.32Å; L160-Y188 HydrophobicContact CB-CE1 3.56Å; L160-Y188 HydrophobicContact CB-CE2 3.93Å; L160-Y188 HydrophobicContact CB-CG 4.34Å; L160-Y188 HydrophobicContact CD1-CD2 3.92Å; L160-Y188 HydrophobicContact CD1-CE2 4.03Å; L160-Y188 HydrophobicContact CD1-CG 4.28Å; L160-Y188 WeakPolarHBondContact O-CE1 3.47Å; L160-Y188 PolarHBondContact O-OH 3.15Å; L160-Y188 VanDerWaalsContact O-OH 3.06Å; Q161-Y188 WeakPolarHBondContact O-CD1 3.37Å; L166-Y188 HydrophobicContact CD2-CD2 4.23Å; A183-Y188 HydrophobicContact CB-CD2 4.41Å; A183-Y188 PolarHBondContact O-N 3.18Å; L186-Y188 HydrophobicContact CB-CD2 3.85Å; L186-Y188 HydrophobicContact CB-CE1 4.25Å; L186-Y188 HydrophobicContact CB-CE2 3.54Å; L186-Y188 HydrophobicContact CB-CG 4.34Å; L186-Y188 HydrophobicContact CD1-CD2 4.3Å; L186-Y188 HydrophobicContact CD1-CE2 3.59Å; L186-Y188 HydrophobicContact CG-CE2 4.22Å
189N97.8Very high96.9Very high53 Ų5332.9 Ų32.928%0.28318%0.178SC..EExtended strand (participates in β ladder)trans-93.7151.3169.6-67.9-58.3000110.7G163 D164 I165 L166 T216 W217G163-N189 PolarHBondContact O-ND2 2.79Å; D164-N189 PolarHBondContact O-N 3.44Å; I165-N189 WeakPolarHBondContact CA-O 3.48Å; I165-N189 HydrophobicContact CB-CB 4.37Å; I165-N189 HydrophobicContact CG1-CB 4Å; I165-N189 HydrophobicContact CG2-CB 4.16Å; L166-N189 PolarHBondContact N-O 3.21Å; N189-T216 WeakPolarHBondContact CA-OG1 3.47Å; N189-T216 HydrophobicContact CB-CG2 4.18Å; N189-T216 PolarHBondContact OD1-OG1 2.99Å; N189-W217 HydrophobicContact CB-CH2 4.39Å; N189-W217 HydrophobicContact CB-CZ3 3.78Å
190T98.5Very high96.6Very high1 Ų137.3 Ų37.31%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-128.8131.2-176.852.40000112.1L166 A183 N192 T216 W217L166-T190 HydrophobicContact CD1-CG2 4.23Å; L166-T190 HydrophobicContact CD2-CG2 4.06Å; L166-T190 HydrophobicContact CG-CG2 4Å; L166-T190 WeakPolarHBondContact O-CA 3.43Å; A183-T190 HydrophobicContact CB-CG2 3.47Å; A183-T190 VanDerWaalsContact CB-CG2 3.47Å; T190-N192 WeakPolarHBondContact CB-ND2 3.23Å; T190-N192 WeakPolarHBondContact CB-OD1 3.03Å; T190-N192 PolarHBondContact O-ND2 2.85Å; T190-N192 VanDerWaalsContact O-ND2 3.14Å; T190-N192 PolarHBondContact OG1-ND2 2.93Å; T190-T216 PolarHBondContact N-OG1 3.34Å; T190-T216 WeakPolarHBondContact O-CB 3.5Å; T190-T216 PolarHBondContact O-N 3.22Å; T190-T216 PolarHBondContact OG1-N 2.8Å; T190-W217 PolarHBondContact O-N 2.86Å
191V98.4Very high96.5Very high0 Ų043.7 Ų43.70%024%0.237CC..EExtended strand (participates in β ladder)trans-97.7116.7161.91780000108.1I165 L166 I167 Q168 L193 W217 Y224 M231 F234I165-V191 HydrophobicContact CG2-CG2 3.98Å; L166-V191 PolarHBondContact O-N 2.86Å; I167-V191 CarbonylContact C-O 3.56Å; I167-V191 WeakPolarHBondContact CA-O 3.48Å; I167-V191 HydrophobicContact CB-CB 4.15Å; I167-V191 HydrophobicContact CD1-CB 4.33Å; I167-V191 HydrophobicContact CD1-CG1 3.91Å; I167-V191 HydrophobicContact CG1-CB 3.89Å; I167-V191 HydrophobicContact CG1-CG1 3.85Å; Q168-V191 PolarHBondContact N-O 3.27Å; V191-L193 HydrophobicContact CG1-CD2 4Å; V191-W217 HydrophobicContact CG2-CB 4.2Å; V191-W217 HydrophobicContact CG2-CD2 4.27Å; V191-W217 HydrophobicContact CG2-CE3 3.68Å; V191-W217 HydrophobicContact CG2-CZ3 4.43Å; V191-Y224 HydrophobicContact CG1-CD2 3.77Å; V191-Y224 HydrophobicContact CG1-CE2 3.83Å; V191-M231 HydrophobicContact CB-SD 4.44Å; V191-M231 HydrophobicContact CG1-SD 3.96Å; V191-M231 HydrophobicContact CG2-CB 4.01Å; V191-M231 HydrophobicContact CG2-CG 4.04Å; V191-M231 HydrophobicContact CG2-SD 3.57Å; V191-M231 VanDerWaalsContact CG2-SD 3.57Å; V191-F234 HydrophobicContact CB-CE1 4.11Å; V191-F234 HydrophobicContact CB-CZ 4.35Å; V191-F234 HydrophobicContact CG2-CE1 3.53Å; V191-F234 HydrophobicContact CG2-CZ 3.81Å
192N98.5Very high96.3Very high0 Ų043.9 Ų43.90%024%0.24CC..EExtended strand (participates in β ladder)trans-116.697.1-166.4-58-69.6000109.3Q168 A171 I180 T190 G215 W217 L219Q168-N192 PolarHBondContact NE2-OD1 3.41Å; A171-N192 HydrophobicContact CB-CB 3.7Å; I180-N192 HydrophobicContact CD1-CB 4.29Å; I180-N192 WeakPolarHBondContact CG1-OD1 3.39Å; T190-N192 WeakPolarHBondContact CB-ND2 3.23Å; T190-N192 WeakPolarHBondContact CB-OD1 3.03Å; T190-N192 PolarHBondContact O-ND2 2.85Å; T190-N192 VanDerWaalsContact O-ND2 3.14Å; T190-N192 PolarHBondContact OG1-ND2 2.93Å; N192-G215 WeakPolarHBondContact ND2-CA 3.36Å; N192-W217 WeakPolarHBondContact CB-O 3Å; N192-W217 PolarHBondContact N-O 3.18Å; N192-W217 PolarHBondContact ND2-O 3.29Å; N192-W217 VanDerWaalsContact ND2-O 3.12Å; N192-L219 PolarHBondContact O-N 3.21Å
193L97.6Very high96.1Very high3 Ų344.2 Ų44.22%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-82.9127.8179.9-52.2-175.7000110.6I167 Q168 N169 G170 A171 V191 L219 Y224 I248 L249I167-L193 HydrophobicContact CD1-CD1 4.12Å; I167-L193 HydrophobicContact CD1-CG 4.43Å; I167-L193 HydrophobicContact CG1-CD1 4.44Å; I167-L193 HydrophobicContact CG1-CG 4.42Å; Q168-L193 WeakPolarHBondContact O-CB 3.33Å; Q168-L193 PolarHBondContact O-N 3.3Å; N169-L193 HydrophobicContact CB-CB 4.43Å; G170-L193 PolarHBondContact N-O 3.34Å; A171-L193 WeakPolarHBondContact CB-O 3.35Å; A171-L193 PolarHBondContact N-O 3.44Å; A171-L193 VanDerWaalsContact N-O 3.1Å; V191-L193 HydrophobicContact CG1-CD2 4Å; L193-L219 VanDerWaalsContact CA-O 3.31Å; L193-L219 WeakPolarHBondContact CA-O 3.4Å; L193-L219 HydrophobicContact CD2-CB 4.33Å; L193-Y224 HydrophobicContact CD1-CD1 4.35Å; L193-Y224 HydrophobicContact CD1-CG 4.48Å; L193-Y224 HydrophobicContact CD2-CD1 4.27Å; L193-Y224 HydrophobicContact CD2-CD2 3.85Å; L193-Y224 HydrophobicContact CD2-CG 3.6Å; L193-I248 HydrophobicContact CD1-CG2 4.16Å; L193-L249 HydrophobicContact CD1-CD2 4.14Å
194F95.7Very high96.1Very high3 Ų347.6 Ų47.61%0.01326%0.258CS..EExtended strand (participates in β ladder)trans-130.8159.5173.169.8-80.7000110.4T172 T203 T206 R207 L210 C218 L219 T220T172-F194 HydrophobicContact CG2-CB 4.05Å; F194-T203 HydrophobicContact CE2-CG2 3.88Å; F194-T203 HydrophobicContact CZ-CG2 4.11Å; F194-T206 HydrophobicContact CD2-CG2 3.41Å; F194-T206 VanDerWaalsContact CD2-CG2 3.41Å; F194-T206 HydrophobicContact CE2-CG2 3.68Å; F194-T206 HydrophobicContact CG-CG2 4.03Å; F194-T206 HydrophobicContact CZ-CG2 4.46Å; F194-R207 HydrophobicContact CE1-CB 4.23Å; F194-R207 HydrophobicContact CE1-CG 4.32Å; F194-R207 HydrophobicContact CZ-CB 3.92Å; F194-R207 HydrophobicContact CZ-CG 4.41Å; F194-L210 HydrophobicContact CB-CD1 4.15Å; F194-L210 HydrophobicContact CD1-CD1 3.64Å; F194-L210 HydrophobicContact CE1-CD1 4.3Å; F194-L210 HydrophobicContact CG-CD1 4.02Å; F194-C218 HydrophobicContact CE1-CB 4.48Å; F194-L219 VanDerWaalsContact CD1-O 3.23Å; F194-L219 WeakPolarHBondContact CD1-O 3.43Å; F194-L219 VanDerWaalsContact CE1-C 3.47Å; F194-L219 PolarHBondContact N-O 3.04Å; F194-T220 HydrophobicContact CE2-CG2 4.04Å; F194-T220 HydrophobicContact CZ-CG2 3.97Å; F194-T220 WeakPolarHBondContact O-CA 3.33Å
195R93Very high96Very high66 Ų6646.7 Ų46.725%0.24926%0.255CS..PPolyproline II helixtrans-73.8148.4175.9-68.4-179177176.9-2.4110.4R197 D341R195-R197 PolarHBondContact O-NH1 3.43Å; R195-D341 IonicContact CZ-OD1 2.91Å; R195-D341 IonicContact NH1-OD1 3.47Å; R195-D341 PolarHBondContact NH1-OD1 3.17Å; R195-D341 IonicContact NH2-OD1 3.67Å; R195-D341 PolarHBondContact NH2-OD1 3.34Å
196E93.4Very high95.9Very high116 Ų11644 Ų4454%0.54224%0.242SC..PPolyproline II helixtrans-58.7152.8165.2-162.9168-167.700110.8T203 T220E196-T203 HydrophobicContact CG-CG2 4.2Å; E196-T203 WeakPolarHBondContact CG-OG1 3.34Å; E196-T220 HydrophobicContact CB-CG2 4.22Å
197R92.6Very high95.9Very high13 Ų1341.9 Ų41.95%0.04923%0.23CC..PPolyproline II helixtrans-102.5172.4177-60.4-67.7173.4-97.3-2.9110.2R195 T199 A202 T203 T206 P344R195-R197 PolarHBondContact O-NH1 3.43Å; R197-T199 PolarHBondContact O-N 3.04Å; R197-T199 VanDerWaalsContact O-N 3.08Å; R197-A202 HydrophobicContact CB-CB 3.6Å; R197-A202 HydrophobicContact CG-CB 4.11Å; R197-A202 WeakPolarHBondContact CG-O 3.25Å; R197-T203 PolarHBondContact N-OG1 2.9Å; R197-T206 PolarHBondContact NE-OG1 3.06Å; R197-P344 WeakPolarHBondContact CD-O 3.45Å
198G89.8Confident95.9Very high60 Ų6044.3 Ų44.362%0.61924%0.238SC*.SBendtrans-59.3-19.6-179.500000115.1
199T92.9Very high95.8Very high65 Ų6544.6 Ų44.640%0.39924%0.241SC..SBendtrans-136157.5174.376.10000111.8R197 E201 A202 T203R197-T199 PolarHBondContact O-N 3.04Å; R197-T199 VanDerWaalsContact O-N 3.08Å; T199-E201 VanDerWaalsContact C-N 3.27Å; T199-E201 WeakPolarHBondContact CB-OE2 3.46Å; T199-E201 PolarHBondContact O-N 3.25Å; T199-E201 PolarHBondContact OG1-OE2 2.87Å; T199-A202 PolarHBondContact O-N 3.21Å; T199-A202 PolarHBondContact OG1-N 2.82Å; T199-A202 VanDerWaalsContact OG1-N 3.16Å; T199-T203 PolarHBondContact O-N 3.32Å; T199-T203 VanDerWaalsContact O-N 3.09Å; T199-T203 PolarHBondContact O-OG1 3.36Å
200P94.2Very high95.9Very high92 Ų9242 Ų4260%0.59723%0.228SC*.Hα-helixtrans-56.7-39.3172-26.136.1000113.1T203 E204P200-T203 WeakPolarHBondContact O-CB 3.3Å; P200-T203 PolarHBondContact O-N 2.79Å; P200-E204 PolarHBondContact O-N 2.95Å
201E95.3Very high95.8Very high134 Ų13447.6 Ų47.663%0.62625%0.248SC*.Hα-helixtrans-64.6-45.1-179.5-60.970.5-151.100111.3T199 T203 E204 E205T199-E201 VanDerWaalsContact C-N 3.27Å; T199-E201 WeakPolarHBondContact CB-OE2 3.46Å; T199-E201 PolarHBondContact O-N 3.25Å; T199-E201 PolarHBondContact OG1-OE2 2.87Å; E201-T203 VanDerWaalsContact C-N 3.28Å; E201-T203 PolarHBondContact O-N 3.49Å; E201-E204 PolarHBondContact O-N 3.27Å; E201-E205 WeakPolarHBondContact O-CB 3.42Å; E201-E205 PolarHBondContact O-N 2.98Å
202A95Very high95.8Very high14 Ų1451.5 Ų51.512%0.11628%0.276CS..Hα-helixtrans-66.9-31.617700000112R197 T199 T206R197-A202 HydrophobicContact CB-CB 3.6Å; R197-A202 HydrophobicContact CG-CB 4.11Å; R197-A202 WeakPolarHBondContact CG-O 3.25Å; T199-A202 PolarHBondContact O-N 3.21Å; T199-A202 PolarHBondContact OG1-N 2.82Å; T199-A202 VanDerWaalsContact OG1-N 3.16Å; A202-T206 WeakPolarHBondContact O-CB 3.48Å; A202-T206 PolarHBondContact O-N 2.97Å; A202-T206 PolarHBondContact O-OG1 3.12Å
203T96Very high95.8Very high6 Ų652.9 Ų52.94%0.03728%0.281CS..Hα-helixtrans-66-45.1173.6-60.90000110.5F194 E196 R197 T199 P200 E201 T206 R207 T220F194-T203 HydrophobicContact CE2-CG2 3.88Å; F194-T203 HydrophobicContact CZ-CG2 4.11Å; E196-T203 HydrophobicContact CG-CG2 4.2Å; E196-T203 WeakPolarHBondContact CG-OG1 3.34Å; R197-T203 PolarHBondContact N-OG1 2.9Å; T199-T203 PolarHBondContact O-N 3.32Å; T199-T203 VanDerWaalsContact O-N 3.09Å; T199-T203 PolarHBondContact O-OG1 3.36Å; P200-T203 WeakPolarHBondContact O-CB 3.3Å; P200-T203 PolarHBondContact O-N 2.79Å; E201-T203 VanDerWaalsContact C-N 3.28Å; E201-T203 PolarHBondContact O-N 3.49Å; T203-T206 WeakPolarHBondContact O-CB 3.33Å; T203-T206 PolarHBondContact O-N 3.15Å; T203-R207 PolarHBondContact O-N 3.12Å; T203-T220 HydrophobicContact CG2-CG2 3.68Å
204E97.1Very high95.9Very high72 Ų7253.7 Ų53.734%0.33629%0.29SS..Hα-helixtrans-70.6-36.1177.2-170.255.5-153.500112.7P200 E201 T206 R207 N208 R211P200-E204 PolarHBondContact O-N 2.95Å; E201-E204 PolarHBondContact O-N 3.27Å; E204-T206 VanDerWaalsContact C-N 3.33Å; E204-T206 PolarHBondContact O-N 3.46Å; E204-R207 WeakPolarHBondContact O-CB 3.3Å; E204-R207 PolarHBondContact O-N 2.81Å; E204-R207 WeakPolarHBondContact OE2-CD 3.32Å; E204-R207 IonicContact OE2-CZ 2.71Å; E204-R207 IonicContact OE2-NE 2.78Å; E204-R207 PolarHBondContact OE2-NE 2.73Å; E204-R207 IonicContact OE2-NH2 3.3Å; E204-N208 WeakPolarHBondContact O-CB 3.26Å; E204-N208 PolarHBondContact O-N 2.85Å; E204-N208 PolarHBondContact O-ND2 3.45Å; E204-N208 PolarHBondContact OE1-ND2 3.5Å; E204-N208 PolarHBondContact OE1-OD1 3.09Å; E204-R211 IonicContact OE1-NH1 3.14Å; E204-R211 PolarHBondContact OE1-NH1 2.9Å; E204-R211 VanDerWaalsContact OE1-NH1 3.16Å
205E96.6Very high96Very high116 Ų11653.9 Ų53.954%0.54229%0.293SS..Hα-helixtrans-58.8-46.1171.4-172.6-170.417900110.9E201 R207 N208 L209 I347E201-E205 WeakPolarHBondContact O-CB 3.42Å; E201-E205 PolarHBondContact O-N 2.98Å; E205-R207 VanDerWaalsContact C-N 3.3Å; E205-R207 PolarHBondContact O-N 3.46Å; E205-N208 PolarHBondContact O-N 3.05Å; E205-L209 PolarHBondContact O-N 2.96Å; E205-I347 HydrophobicContact CG-CD1 4.09Å
206T96.8Very high96.2Very high1 Ų153.2 Ų53.21%0.00630%0.296CS..Hα-helixtrans-60-42.7175.5-61.40000111.1T172 F194 R197 A202 T203 E204 L209 L210T172-T206 HydrophobicContact CG2-CG2 3.57Å; F194-T206 HydrophobicContact CD2-CG2 3.41Å; F194-T206 VanDerWaalsContact CD2-CG2 3.41Å; F194-T206 HydrophobicContact CE2-CG2 3.68Å; F194-T206 HydrophobicContact CG-CG2 4.03Å; F194-T206 HydrophobicContact CZ-CG2 4.46Å; R197-T206 PolarHBondContact NE-OG1 3.06Å; A202-T206 WeakPolarHBondContact O-CB 3.48Å; A202-T206 PolarHBondContact O-N 2.97Å; A202-T206 PolarHBondContact O-OG1 3.12Å; T203-T206 WeakPolarHBondContact O-CB 3.33Å; T203-T206 PolarHBondContact O-N 3.15Å; E204-T206 VanDerWaalsContact C-N 3.33Å; E204-T206 PolarHBondContact O-N 3.46Å; T206-L209 WeakPolarHBondContact O-CB 3.21Å; T206-L209 PolarHBondContact O-N 2.94Å; T206-L210 WeakPolarHBondContact O-CG 3.43Å; T206-L210 PolarHBondContact O-N 3.36Å; T206-L210 VanDerWaalsContact O-N 3.15Å
207R97.7Very high96.5Very high11 Ų1150.8 Ų50.84%0.04228%0.282CS..Hα-helixtrans-61.6-46.3177.7-166.5-174.9-43.1-69.9-1.1111.9F194 T203 E204 E205 L209 L210 R211 C218 E223F194-R207 HydrophobicContact CE1-CB 4.23Å; F194-R207 HydrophobicContact CE1-CG 4.32Å; F194-R207 HydrophobicContact CZ-CB 3.92Å; F194-R207 HydrophobicContact CZ-CG 4.41Å; T203-R207 PolarHBondContact O-N 3.12Å; E204-R207 WeakPolarHBondContact O-CB 3.3Å; E204-R207 PolarHBondContact O-N 2.81Å; E204-R207 WeakPolarHBondContact OE2-CD 3.32Å; E204-R207 IonicContact OE2-CZ 2.71Å; E204-R207 IonicContact OE2-NE 2.78Å; E204-R207 PolarHBondContact OE2-NE 2.73Å; E204-R207 IonicContact OE2-NH2 3.3Å; E205-R207 VanDerWaalsContact C-N 3.3Å; E205-R207 PolarHBondContact O-N 3.46Å; R207-L209 VanDerWaalsContact C-N 3.32Å; R207-L209 PolarHBondContact O-N 3.34Å; R207-L210 PolarHBondContact O-N 3.22Å; R207-R211 VanDerWaalsContact CD-CZ 3.49Å; R207-R211 WeakPolarHBondContact O-CG 3.42Å; R207-R211 PolarHBondContact O-N 3.29Å; R207-C218 WeakPolarHBondContact CD-O 3.39Å; R207-C218 HydrophobicContact CG-CB 3.76Å; R207-C218 VanDerWaalsContact CG-O 3.31Å; R207-C218 WeakPolarHBondContact CG-O 3.4Å; R207-C218 PolarHBondContact NH1-O 2.94Å; R207-E223 IonicContact CZ-OE1 2.75Å; R207-E223 IonicContact CZ-OE2 2.71Å; R207-E223 VanDerWaalsContact CZ-OE2 3.3Å; R207-E223 IonicContact NH1-OE1 3.3Å; R207-E223 IonicContact NH1-OE2 3.84Å; R207-E223 PolarHBondContact NH1-OE2 3.11Å; R207-E223 VanDerWaalsContact NH2-CD 3.32Å; R207-E223 IonicContact NH2-OE1 3.16Å; R207-E223 PolarHBondContact NH2-OE1 3.35Å; R207-E223 IonicContact NH2-OE2 3.72Å; R207-E223 PolarHBondContact NH2-OE2 3.45Å; R207-E223 VanDerWaalsContact NH2-OE2 3.09Å
208N97.9Very high96.7Very high74 Ų7450.2 Ų50.240%0.39628%0.28SS..Hα-helixtrans-67-34.4-179.6-72.3-29.8000112E204 E205 R211 S212E204-N208 WeakPolarHBondContact O-CB 3.26Å; E204-N208 PolarHBondContact O-N 2.85Å; E204-N208 PolarHBondContact O-ND2 3.45Å; E204-N208 PolarHBondContact OE1-ND2 3.5Å; E204-N208 PolarHBondContact OE1-OD1 3.09Å; E205-N208 PolarHBondContact O-N 3.05Å; N208-R211 PolarHBondContact O-N 3.47Å; N208-R211 PolarHBondContact OD1-NH1 3.29Å; N208-R211 VanDerWaalsContact OD1-NH1 3.14Å; N208-S212 WeakPolarHBondContact O-CB 3.49Å; N208-S212 PolarHBondContact O-N 3.31Å
209L97.5Very high97.1Very high36 Ų3647.7 Ų47.719%0.18825%0.252CS..Hα-helixtrans-58.9-51.5170179.171.2000111.4E205 T206 R207 R211 S212 Y213 P321 I347E205-L209 PolarHBondContact O-N 2.96Å; T206-L209 WeakPolarHBondContact O-CB 3.21Å; T206-L209 PolarHBondContact O-N 2.94Å; R207-L209 VanDerWaalsContact C-N 3.32Å; R207-L209 PolarHBondContact O-N 3.34Å; L209-R211 VanDerWaalsContact C-N 3.32Å; L209-R211 PolarHBondContact O-N 3.06Å; L209-S212 WeakPolarHBondContact O-CB 3.41Å; L209-S212 PolarHBondContact O-N 3.15Å; L209-S212 VanDerWaalsContact O-N 3.08Å; L209-S212 PolarHBondContact O-OG 3.11Å; L209-Y213 HydrophobicContact CD1-CD2 4.29Å; L209-Y213 HydrophobicContact CD1-CE2 3.66Å; L209-Y213 HydrophobicContact CD2-CE2 4.49Å; L209-Y213 HydrophobicContact CG-CD2 4.22Å; L209-Y213 HydrophobicContact CG-CE2 3.88Å; L209-Y213 VanDerWaalsContact O-CD2 3.28Å; L209-Y213 WeakPolarHBondContact O-CD2 3.34Å; L209-Y213 PolarHBondContact O-N 3.37Å; L209-P321 HydrophobicContact CD2-CG 4.08Å; L209-I347 HydrophobicContact CB-CD1 4.28Å; L209-I347 HydrophobicContact CD2-CB 4.33Å; L209-I347 HydrophobicContact CD2-CD1 3.73Å; L209-I347 HydrophobicContact CD2-CG1 3.81Å; L209-I347 HydrophobicContact CD2-CG2 3.53Å
210L98.5Very high97.3Very high0 Ų044.8 Ų44.80%023%0.234CC..Hα-helixtrans-61-40.9179.7-64.8177.3000111.7A171 T172 I177 I180 F194 T206 R207 S212 Y213 G214 G215 C218A171-L210 HydrophobicContact CB-CD1 3.95Å; A171-L210 HydrophobicContact CB-CD2 4.22Å; A171-L210 WeakPolarHBondContact O-CD2 3.36Å; T172-L210 HydrophobicContact CG2-CD1 4.29Å; T172-L210 HydrophobicContact CG2-CD2 4.15Å; T172-L210 HydrophobicContact CG2-CG 4.45Å; I177-L210 HydrophobicContact CD1-CD2 3.42Å; I177-L210 VanDerWaalsContact CD1-CD2 3.42Å; I180-L210 HydrophobicContact CD1-CB 4.28Å; I180-L210 HydrophobicContact CD1-CD2 3.79Å; F194-L210 HydrophobicContact CB-CD1 4.15Å; F194-L210 HydrophobicContact CD1-CD1 3.64Å; F194-L210 HydrophobicContact CE1-CD1 4.3Å; F194-L210 HydrophobicContact CG-CD1 4.02Å; T206-L210 WeakPolarHBondContact O-CG 3.43Å; T206-L210 PolarHBondContact O-N 3.36Å; T206-L210 VanDerWaalsContact O-N 3.15Å; R207-L210 PolarHBondContact O-N 3.22Å; L210-S212 VanDerWaalsContact C-N 3.34Å; L210-S212 PolarHBondContact O-N 2.94Å; L210-Y213 PolarHBondContact O-N 2.81Å; L210-G214 PolarHBondContact O-N 2.74Å; L210-G215 PolarHBondContact O-N 2.81Å; L210-C218 HydrophobicContact CB-CB 3.94Å; L210-C218 WeakPolarHBondContact CB-SG 3.37Å; L210-C218 HydrophobicContact CD1-CB 4.19Å
211R98.5Very high97.2Very high117 Ų11742.8 Ų42.844%0.44222%0.217SC..Hα-helixtrans-61.8-38.8172.6-73.2176.8176.2148-3112.2E204 R207 N208 L209 Y213 G214 C218E204-R211 IonicContact OE1-NH1 3.14Å; E204-R211 PolarHBondContact OE1-NH1 2.9Å; E204-R211 VanDerWaalsContact OE1-NH1 3.16Å; R207-R211 VanDerWaalsContact CD-CZ 3.49Å; R207-R211 WeakPolarHBondContact O-CG 3.42Å; R207-R211 PolarHBondContact O-N 3.29Å; N208-R211 PolarHBondContact O-N 3.47Å; N208-R211 PolarHBondContact OD1-NH1 3.29Å; N208-R211 VanDerWaalsContact OD1-NH1 3.14Å; L209-R211 VanDerWaalsContact C-N 3.32Å; L209-R211 PolarHBondContact O-N 3.06Å; R211-Y213 PolarHBondContact O-N 2.68Å; R211-G214 WeakPolarHBondContact O-CA 3.29Å; R211-G214 PolarHBondContact O-N 2.82Å; R211-C218 HydrophobicContact CG-CB 4.38Å
212S98Very high97.2Very high82 Ų8239.3 Ų39.357%0.57321%0.208SC*.Hα-helixtrans-63.2-27.2178.782.70000113.1N208 L209 L210 G214N208-S212 WeakPolarHBondContact O-CB 3.49Å; N208-S212 PolarHBondContact O-N 3.31Å; L209-S212 WeakPolarHBondContact O-CB 3.41Å; L209-S212 PolarHBondContact O-N 3.15Å; L209-S212 VanDerWaalsContact O-N 3.08Å; L209-S212 PolarHBondContact O-OG 3.11Å; L210-S212 VanDerWaalsContact C-N 3.34Å; L210-S212 PolarHBondContact O-N 2.94Å; S212-G214 VanDerWaalsContact C-N 3.32Å
213Y98.4Very high97.3Very high30 Ų3041.4 Ų41.412%0.11822%0.215CC..THydrogen-bonded Turntrans-82.7-9.4172.1-73.7-67000113.1I177 Q181 L209 L210 R211 K318 P319 P321I177-Y213 HydrophobicContact CD1-CD2 3.82Å; I177-Y213 HydrophobicContact CD1-CE2 3.98Å; I177-Y213 HydrophobicContact CG2-CD1 3.93Å; I177-Y213 HydrophobicContact CG2-CD2 3.82Å; I177-Y213 HydrophobicContact CG2-CE1 3.87Å; I177-Y213 HydrophobicContact CG2-CE2 3.78Å; I177-Y213 HydrophobicContact CG2-CG 3.89Å; Q181-Y213 VanDerWaalsContact CD-CD1 3.43Å; Q181-Y213 HydrophobicContact CG-CD1 3.92Å; Q181-Y213 HydrophobicContact CG-CG 4.33Å; Q181-Y213 WeakPolarHBondContact CG-O 3.47Å; L209-Y213 HydrophobicContact CD1-CD2 4.29Å; L209-Y213 HydrophobicContact CD1-CE2 3.66Å; L209-Y213 HydrophobicContact CD2-CE2 4.49Å; L209-Y213 HydrophobicContact CG-CD2 4.22Å; L209-Y213 HydrophobicContact CG-CE2 3.88Å; L209-Y213 VanDerWaalsContact O-CD2 3.28Å; L209-Y213 WeakPolarHBondContact O-CD2 3.34Å; L209-Y213 PolarHBondContact O-N 3.37Å; L210-Y213 PolarHBondContact O-N 2.81Å; R211-Y213 PolarHBondContact O-N 2.68Å; Y213-K318 HydrophobicContact CE1-CB 4Å; Y213-P319 PolarHBondContact OH-O 2.76Å; Y213-P321 WeakPolarHBondContact OH-CD 3.24Å
214G98.3Very high97.3Very high19 Ų1941.1 Ų41.120%0.19621%0.213CC..THydrogen-bonded Turntrans109.414.5178.200000115.7I180 L210 R211 S212 T216I180-G214 VanDerWaalsContact CG2-C 3.43Å; L210-G214 PolarHBondContact O-N 2.74Å; R211-G214 WeakPolarHBondContact O-CA 3.29Å; R211-G214 PolarHBondContact O-N 2.82Å; S212-G214 VanDerWaalsContact C-N 3.32Å; G214-T216 PolarHBondContact O-N 3.45Å
215G98.5Very high97Very high7 Ų742.7 Ų42.77%0.07222%0.222CC..  trans-66.8126.4-179.900000111.7N192 L210N192-G215 WeakPolarHBondContact ND2-CA 3.36Å; L210-G215 PolarHBondContact O-N 2.81Å
216T98Very high97Very high53 Ų5344.9 Ų44.933%0.32523%0.232SC..SBendtrans-69.2-56.8-176.5-44.10000111.3N189 T190 G214N189-T216 WeakPolarHBondContact CA-OG1 3.47Å; N189-T216 HydrophobicContact CB-CG2 4.18Å; N189-T216 PolarHBondContact OD1-OG1 2.99Å; T190-T216 PolarHBondContact N-OG1 3.34Å; T190-T216 WeakPolarHBondContact O-CB 3.5Å; T190-T216 PolarHBondContact O-N 3.22Å; T190-T216 PolarHBondContact OG1-N 2.8Å; G214-T216 PolarHBondContact O-N 3.45Å
217W98.2Very high96.8Very high65 Ų6549.3 Ų49.325%0.24625%0.249CC..EExtended strand (participates in β ladder)trans-119.3120.8171.3-60.5-87.3000108.4I165 N189 T190 V191 N192 L219 M231I165-W217 HydrophobicContact CD1-CH2 3.89Å; I165-W217 HydrophobicContact CD1-CZ3 3.92Å; I165-W217 HydrophobicContact CG1-CZ3 4.24Å; I165-W217 HydrophobicContact CG2-CE3 4.29Å; I165-W217 HydrophobicContact CG2-CZ3 3.74Å; N189-W217 HydrophobicContact CB-CH2 4.39Å; N189-W217 HydrophobicContact CB-CZ3 3.78Å; T190-W217 PolarHBondContact O-N 2.86Å; V191-W217 HydrophobicContact CG2-CB 4.2Å; V191-W217 HydrophobicContact CG2-CD2 4.27Å; V191-W217 HydrophobicContact CG2-CE3 3.68Å; V191-W217 HydrophobicContact CG2-CZ3 4.43Å; N192-W217 WeakPolarHBondContact CB-O 3Å; N192-W217 PolarHBondContact N-O 3.18Å; N192-W217 PolarHBondContact ND2-O 3.29Å; N192-W217 VanDerWaalsContact ND2-O 3.12Å; W217-L219 HydrophobicContact CB-CD1 4.21Å; W217-L219 HydrophobicContact CB-CG 4.38Å; W217-M231 HydrophobicContact CB-SD 3.91Å; W217-M231 HydrophobicContact CD2-CG 4.01Å; W217-M231 HydrophobicContact CD2-SD 4.18Å; W217-M231 HydrophobicContact CE3-CG 4.43Å; W217-M231 HydrophobicContact CG-CG 4.17Å; W217-M231 HydrophobicContact CG-SD 3.78Å
218C98.3Very high96.4Very high1 Ų149.7 Ų49.71%0.00726%0.255CS..EExtended strand (participates in β ladder)trans-117.1108.1177.1-58.30000106.5F194 R207 L210 R211F194-C218 HydrophobicContact CE1-CB 4.48Å; R207-C218 WeakPolarHBondContact CD-O 3.39Å; R207-C218 HydrophobicContact CG-CB 3.76Å; R207-C218 VanDerWaalsContact CG-O 3.31Å; R207-C218 WeakPolarHBondContact CG-O 3.4Å; R207-C218 PolarHBondContact NH1-O 2.94Å; L210-C218 HydrophobicContact CB-CB 3.94Å; L210-C218 WeakPolarHBondContact CB-SG 3.37Å; L210-C218 HydrophobicContact CD1-CB 4.19Å; R211-C218 HydrophobicContact CG-CB 4.38Å
219L97.8Very high95.9Very high6 Ų656.3 Ų56.33%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-133.9146.2-166.4-61172.1000110.3N192 L193 F194 W217 E223 Y224 M231N192-L219 PolarHBondContact O-N 3.21Å; L193-L219 VanDerWaalsContact CA-O 3.31Å; L193-L219 WeakPolarHBondContact CA-O 3.4Å; L193-L219 HydrophobicContact CD2-CB 4.33Å; F194-L219 VanDerWaalsContact CD1-O 3.23Å; F194-L219 WeakPolarHBondContact CD1-O 3.43Å; F194-L219 VanDerWaalsContact CE1-C 3.47Å; F194-L219 PolarHBondContact N-O 3.04Å; W217-L219 HydrophobicContact CB-CD1 4.21Å; W217-L219 HydrophobicContact CB-CG 4.38Å; L219-E223 HydrophobicContact CB-CB 4.32Å; L219-E223 HydrophobicContact CD2-CB 4.17Å; L219-Y224 HydrophobicContact CD1-CD2 4.22Å; L219-M231 HydrophobicContact CD1-CE 3.55Å; L219-M231 HydrophobicContact CD1-SD 3.61Å
220T96.3Very high95.5Very high4 Ų460.3 Ų60.33%0.02530%0.297CS..EExtended strand (participates in β ladder)trans-68.7162.2160.2610000109.7F194 E196 T203 S222 E223 Y224F194-T220 HydrophobicContact CE2-CG2 4.04Å; F194-T220 HydrophobicContact CZ-CG2 3.97Å; F194-T220 WeakPolarHBondContact O-CA 3.33Å; E196-T220 HydrophobicContact CB-CG2 4.22Å; T203-T220 HydrophobicContact CG2-CG2 3.68Å; T220-S222 VanDerWaalsContact C-N 3.28Å; T220-S222 PolarHBondContact O-N 3.11Å; T220-S222 PolarHBondContact OG1-OG 3.31Å; T220-S222 VanDerWaalsContact OG1-OG 3.11Å; T220-E223 PolarHBondContact N-OE2 2.92Å; T220-E223 PolarHBondContact O-N 3.22Å; T220-E223 WeakPolarHBondContact OG1-CB 3.32Å; T220-E223 WeakPolarHBondContact OG1-CG 3.31Å; T220-E223 PolarHBondContact OG1-N 3.09Å; T220-E223 PolarHBondContact OG1-OE2 3.27Å; T220-Y224 WeakPolarHBondContact O-CB 3.21Å; T220-Y224 PolarHBondContact O-N 2.74Å
221E93.3Very high95.2Very high50 Ų5061 Ų6123%0.23430%0.301CS..Hα-helixtrans-60.6-38.3177.5-67.9-179.2-159.400111.9Y224 M225 I248E221-Y224 PolarHBondContact O-N 2.82Å; E221-M225 VanDerWaalsContact O-CG 3.26Å; E221-M225 WeakPolarHBondContact O-CG 3.25Å; E221-M225 PolarHBondContact O-N 2.88Å; E221-I248 HydrophobicContact CB-CD1 4.13Å; E221-I248 HydrophobicContact CG-CD1 4.18Å
222S94.1Very high94.6Very high62 Ų6256.5 Ų56.543%0.43429%0.291SS..Hα-helixtrans-64.4-52.1176.542.40000112.2T220 Y224 M225 E226T220-S222 VanDerWaalsContact C-N 3.28Å; T220-S222 PolarHBondContact O-N 3.11Å; T220-S222 PolarHBondContact OG1-OG 3.31Å; T220-S222 VanDerWaalsContact OG1-OG 3.11Å; S222-Y224 PolarHBondContact O-N 3.38Å; S222-M225 PolarHBondContact O-N 2.52Å; S222-E226 PolarHBondContact O-N 3.46Å
223E96.8Very high94.2Very high57 Ų5757.4 Ų57.427%0.26630%0.295SS..Hα-helixtrans-57.9-39.2177.2-71.2165.1150.700111.9R207 L219 T220 E226 R227R207-E223 IonicContact CZ-OE1 2.75Å; R207-E223 IonicContact CZ-OE2 2.71Å; R207-E223 VanDerWaalsContact CZ-OE2 3.3Å; R207-E223 IonicContact NH1-OE1 3.3Å; R207-E223 IonicContact NH1-OE2 3.84Å; R207-E223 PolarHBondContact NH1-OE2 3.11Å; R207-E223 VanDerWaalsContact NH2-CD 3.32Å; R207-E223 IonicContact NH2-OE1 3.16Å; R207-E223 PolarHBondContact NH2-OE1 3.35Å; R207-E223 IonicContact NH2-OE2 3.72Å; R207-E223 PolarHBondContact NH2-OE2 3.45Å; R207-E223 VanDerWaalsContact NH2-OE2 3.09Å; L219-E223 HydrophobicContact CB-CB 4.32Å; L219-E223 HydrophobicContact CD2-CB 4.17Å; T220-E223 PolarHBondContact N-OE2 2.92Å; T220-E223 PolarHBondContact O-N 3.22Å; T220-E223 WeakPolarHBondContact OG1-CB 3.32Å; T220-E223 WeakPolarHBondContact OG1-CG 3.31Å; T220-E223 PolarHBondContact OG1-N 3.09Å; T220-E223 PolarHBondContact OG1-OE2 3.27Å; E223-E226 PolarHBondContact O-N 2.93Å; E223-R227 WeakPolarHBondContact O-CB 2.82Å; E223-R227 WeakPolarHBondContact O-CG 3.45Å; E223-R227 PolarHBondContact O-N 3.13Å; E223-R227 VanDerWaalsContact O-N 3.16Å
224Y96Very high94.1Very high0 Ų056.1 Ų56.10%029%0.29CS..Hα-helixtrans-64.5-42.2176.4173.4-97.3000111.9I167 V191 L193 L219 T220 E221 S222 E226 R227 A228 M231 F234 I248 N252I167-Y224 HydrophobicContact CD1-CD2 4.42Å; I167-Y224 HydrophobicContact CD1-CE1 4.16Å; I167-Y224 HydrophobicContact CD1-CE2 3.66Å; I167-Y224 WeakPolarHBondContact CD1-OH 3.4Å; V191-Y224 HydrophobicContact CG1-CD2 3.77Å; V191-Y224 HydrophobicContact CG1-CE2 3.83Å; L193-Y224 HydrophobicContact CD1-CD1 4.35Å; L193-Y224 HydrophobicContact CD1-CG 4.48Å; L193-Y224 HydrophobicContact CD2-CD1 4.27Å; L193-Y224 HydrophobicContact CD2-CD2 3.85Å; L193-Y224 HydrophobicContact CD2-CG 3.6Å; L219-Y224 HydrophobicContact CD1-CD2 4.22Å; T220-Y224 WeakPolarHBondContact O-CB 3.21Å; T220-Y224 PolarHBondContact O-N 2.74Å; E221-Y224 PolarHBondContact O-N 2.82Å; S222-Y224 PolarHBondContact O-N 3.38Å; Y224-E226 VanDerWaalsContact C-N 3.26Å; Y224-E226 PolarHBondContact O-N 2.78Å; Y224-R227 CarbonylContact O-C 3.48Å; Y224-R227 PolarHBondContact O-N 3.06Å; Y224-R227 VanDerWaalsContact O-N 3.14Å; Y224-A228 HydrophobicContact CE1-CB 4.25Å; Y224-A228 WeakPolarHBondContact O-CA 3.35Å; Y224-A228 WeakPolarHBondContact O-CB 3.34Å; Y224-A228 PolarHBondContact O-N 3.42Å; Y224-M231 HydrophobicContact CD2-CE 3.59Å; Y224-M231 HydrophobicContact CD2-SD 4.2Å; Y224-M231 HydrophobicContact CE2-CE 3.85Å; Y224-M231 HydrophobicContact CE2-SD 4.31Å; Y224-F234 HydrophobicContact CE2-CE2 4.39Å; Y224-F234 HydrophobicContact CE2-CZ 4.26Å; Y224-F234 VanDerWaalsContact OH-CE2 3.27Å; Y224-F234 WeakPolarHBondContact OH-CE2 3.45Å; Y224-I248 HydrophobicContact CD1-CG2 3.7Å; Y224-I248 HydrophobicContact CE1-CG2 3.52Å; Y224-N252 WeakPolarHBondContact OH-CB 3.45Å; Y224-N252 PolarHBondContact OH-ND2 2.86Å; Y224-N252 VanDerWaalsContact OH-ND2 3.08Å; Y224-N252 PolarHBondContact OH-OD1 3.45Å
225M92.6Very high94Very high105 Ų10558.8 Ų58.852%0.51730%0.296SS..Hα-helixtrans-62.4-34179.5-72.5-60-58.500112.6E221 S222 I248E221-M225 VanDerWaalsContact O-CG 3.26Å; E221-M225 WeakPolarHBondContact O-CG 3.25Å; E221-M225 PolarHBondContact O-N 2.88Å; S222-M225 PolarHBondContact O-N 2.52Å; M225-I248 HydrophobicContact SD-CG1 4.41Å; M225-I248 HydrophobicContact SD-CG2 4.15Å
226E94.7Very high94Very high163 Ų16358.5 Ų58.576%0.76229%0.293SS*.Hα-helixtrans-71.6-34.3175.2-67.3176.3-178.900112.4S222 E223 Y224S222-E226 PolarHBondContact O-N 3.46Å; E223-E226 PolarHBondContact O-N 2.93Å; Y224-E226 VanDerWaalsContact C-N 3.26Å; Y224-E226 PolarHBondContact O-N 2.78Å
227R93.4Very high94Very high93 Ų9356 Ų5635%0.35128%0.277SS..Hα-helixtrans-108.17.3-171-61.1177.661.6-171.4-1.9114.4E223 Y224 K229 E230 M231E223-R227 WeakPolarHBondContact O-CB 2.82Å; E223-R227 WeakPolarHBondContact O-CG 3.45Å; E223-R227 PolarHBondContact O-N 3.13Å; E223-R227 VanDerWaalsContact O-N 3.16Å; Y224-R227 CarbonylContact O-C 3.48Å; Y224-R227 PolarHBondContact O-N 3.06Å; Y224-R227 VanDerWaalsContact O-N 3.14Å; R227-K229 PolarHBondContact O-N 2.85Å; R227-E230 IonicContact CZ-OE2 3.71Å; R227-E230 VanDerWaalsContact CZ-OE2 3.3Å; R227-E230 IonicContact NE-OE1 2.81Å; R227-E230 IonicContact NE-OE2 3.3Å; R227-E230 PolarHBondContact NE-OE2 3.09Å; R227-E230 IonicContact NH2-OE2 3.95Å; R227-E230 PolarHBondContact NH2-OE2 3.31Å; R227-E230 VanDerWaalsContact O-CB 3.31Å; R227-E230 WeakPolarHBondContact O-CB 3.46Å; R227-E230 PolarHBondContact O-N 2.78Å; R227-M231 HydrophobicContact CB-CE 3.93Å; R227-M231 WeakPolarHBondContact O-CE 3.44Å
228A89.8Confident94Very high20 Ų2052.9 Ų52.917%0.16527%0.266CS..G310 helixtrans-54.8-30.4-170.600000113.5Y224 E230 M231Y224-A228 HydrophobicContact CE1-CB 4.25Å; Y224-A228 WeakPolarHBondContact O-CA 3.35Å; Y224-A228 WeakPolarHBondContact O-CB 3.34Å; Y224-A228 PolarHBondContact O-N 3.42Å; A228-E230 VanDerWaalsContact C-N 3.25Å; A228-E230 PolarHBondContact O-N 3.45Å; A228-M231 PolarHBondContact O-N 2.91Å
229K87.1Confident94Very high213 Ų21352.8 Ų52.893%0.92627%0.265SS*.G310 helixtrans-70.6-15.8178.5-63.2-178.7-178.7176.60114.2R227 M231R227-K229 PolarHBondContact O-N 2.85Å; K229-M231 VanDerWaalsContact C-N 3.33Å
230E89.6Confident93.9Very high119 Ų11953 Ų5356%0.55627%0.267SS*.G310 helixtrans-83.8-10.2179.4-60.3171.9-161.500112.7R227 A228R227-E230 IonicContact CZ-OE2 3.71Å; R227-E230 VanDerWaalsContact CZ-OE2 3.3Å; R227-E230 IonicContact NE-OE1 2.81Å; R227-E230 IonicContact NE-OE2 3.3Å; R227-E230 PolarHBondContact NE-OE2 3.09Å; R227-E230 IonicContact NH2-OE2 3.95Å; R227-E230 PolarHBondContact NH2-OE2 3.31Å; R227-E230 VanDerWaalsContact O-CB 3.31Å; R227-E230 WeakPolarHBondContact O-CB 3.46Å; R227-E230 PolarHBondContact O-N 2.78Å; A228-E230 VanDerWaalsContact C-N 3.25Å; A228-E230 PolarHBondContact O-N 3.45Å
231M91.1Very high93.8Very high15 Ų1553.6 Ų53.67%0.07427%0.27CS..SBendtrans-129.9160.3-169.8-64165.9-81.800111.4V191 W217 L219 Y224 R227 A228 K229 F234V191-M231 HydrophobicContact CB-SD 4.44Å; V191-M231 HydrophobicContact CG1-SD 3.96Å; V191-M231 HydrophobicContact CG2-CB 4.01Å; V191-M231 HydrophobicContact CG2-CG 4.04Å; V191-M231 HydrophobicContact CG2-SD 3.57Å; V191-M231 VanDerWaalsContact CG2-SD 3.57Å; W217-M231 HydrophobicContact CB-SD 3.91Å; W217-M231 HydrophobicContact CD2-CG 4.01Å; W217-M231 HydrophobicContact CD2-SD 4.18Å; W217-M231 HydrophobicContact CE3-CG 4.43Å; W217-M231 HydrophobicContact CG-CG 4.17Å; W217-M231 HydrophobicContact CG-SD 3.78Å; L219-M231 HydrophobicContact CD1-CE 3.55Å; L219-M231 HydrophobicContact CD1-SD 3.61Å; Y224-M231 HydrophobicContact CD2-CE 3.59Å; Y224-M231 HydrophobicContact CD2-SD 4.2Å; Y224-M231 HydrophobicContact CE2-CE 3.85Å; Y224-M231 HydrophobicContact CE2-SD 4.31Å; R227-M231 HydrophobicContact CB-CE 3.93Å; R227-M231 WeakPolarHBondContact O-CE 3.44Å; A228-M231 PolarHBondContact O-N 2.91Å; K229-M231 VanDerWaalsContact C-N 3.33Å; M231-F234 HydrophobicContact CB-CE1 4.3Å; M231-F234 HydrophobicContact CB-CZ 3.74Å
232G86.8Confident93.8Very high23 Ų2351.4 Ų51.424%0.23726%0.261CS..  trans86-169.5-176.800000112.8
233P88.4Confident93.8Very high101 Ų10148.6 Ų48.666%0.65624%0.242SC*.  cis-64.81442.927.8-35.9000113.6
234F96.2Very high93.6Very high2 Ų253.9 Ų53.91%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-97.1111.6179.1-49.4-66.7000111.5I165 I167 V191 Y224 M231 N252 L253 S254I165-F234 HydrophobicContact CB-CD1 4.13Å; I165-F234 HydrophobicContact CB-CE1 4.21Å; I165-F234 HydrophobicContact CG2-CD1 3.87Å; I165-F234 HydrophobicContact CG2-CE1 3.58Å; I167-F234 HydrophobicContact CB-CD1 3.86Å; I167-F234 HydrophobicContact CB-CD2 4.23Å; I167-F234 HydrophobicContact CB-CE1 4.04Å; I167-F234 HydrophobicContact CB-CE2 4.43Å; I167-F234 HydrophobicContact CB-CG 3.96Å; I167-F234 HydrophobicContact CB-CZ 4.33Å; I167-F234 HydrophobicContact CD1-CD2 4.43Å; I167-F234 HydrophobicContact CD1-CE2 4.06Å; I167-F234 HydrophobicContact CD1-CZ 4.2Å; I167-F234 HydrophobicContact CG2-CB 3.94Å; I167-F234 HydrophobicContact CG2-CD1 4.14Å; I167-F234 HydrophobicContact CG2-CD2 3.94Å; I167-F234 HydrophobicContact CG2-CG 3.73Å; V191-F234 HydrophobicContact CB-CE1 4.11Å; V191-F234 HydrophobicContact CB-CZ 4.35Å; V191-F234 HydrophobicContact CG2-CE1 3.53Å; V191-F234 HydrophobicContact CG2-CZ 3.81Å; Y224-F234 HydrophobicContact CE2-CE2 4.39Å; Y224-F234 HydrophobicContact CE2-CZ 4.26Å; Y224-F234 VanDerWaalsContact OH-CE2 3.27Å; Y224-F234 WeakPolarHBondContact OH-CE2 3.45Å; M231-F234 HydrophobicContact CB-CE1 4.3Å; M231-F234 HydrophobicContact CB-CZ 3.74Å; F234-N252 HydrophobicContact CD2-CB 3.79Å; F234-N252 WeakPolarHBondContact CD2-O 3.35Å; F234-N252 HydrophobicContact CE2-CB 3.86Å; F234-L253 WeakPolarHBondContact O-CA 3.3Å; F234-L253 WeakPolarHBondContact O-CD2 3.11Å; F234-S254 PolarHBondContact O-N 3.34Å; F234-S254 PolarHBondContact O-OG 3.5Å
235K96.2Very high93.5Very high76 Ų7654.8 Ų54.833%0.3327%0.27SS..EExtended strand (participates in β ladder)trans-77.2-27.7172.3-59.8175.9-173.8161.90112.3V158 L160 D164 G257 T258V158-K235 HydrophobicContact CG1-CB 3.81Å; L160-K235 HydrophobicContact CD2-CB 4.04Å; L160-K235 HydrophobicContact CD2-CD 4.38Å; D164-K235 VanDerWaalsContact CG-NZ 3.34Å; D164-K235 IonicContact OD1-NZ 2.65Å; D164-K235 PolarHBondContact OD1-NZ 3.03Å; D164-K235 VanDerWaalsContact OD1-NZ 3.14Å; D164-K235 IonicContact OD2-NZ 2.63Å; D164-K235 PolarHBondContact OD2-NZ 3.31Å; K235-G257 WeakPolarHBondContact O-CA 3.36Å; K235-T258 PolarHBondContact O-N 3.41Å
236L98.6Very high93.6Very high0 Ų049.8 Ų49.80%025%0.245CC..EExtended strand (participates in β ladder)trans-127.5131.2-179.1-179.763.6000110.5L154 F157 V158 L160 L166 I167 L238 T258 V260L154-L236 HydrophobicContact CD2-CD2 4.47Å; F157-L236 HydrophobicContact CB-CD1 4.41Å; V158-L236 HydrophobicContact CB-CB 4.25Å; V158-L236 HydrophobicContact CB-CD1 4.41Å; V158-L236 HydrophobicContact CG2-CB 4.28Å; V158-L236 HydrophobicContact CG2-CD1 3.97Å; L160-L236 HydrophobicContact CD1-CB 4.33Å; L160-L236 HydrophobicContact CD1-CD2 3.91Å; L160-L236 HydrophobicContact CD2-CB 4.29Å; L166-L236 WeakPolarHBondContact CA-O 3.45Å; L166-L236 HydrophobicContact CB-CB 4.12Å; L166-L236 HydrophobicContact CB-CD2 4.47Å; L166-L236 HydrophobicContact CB-CG 4.45Å; L166-L236 WeakPolarHBondContact CB-O 3.42Å; I167-L236 PolarHBondContact N-O 2.93Å; I167-L236 VanDerWaalsContact N-O 3.12Å; L236-L238 HydrophobicContact CD1-CD2 3.9Å; L236-L238 HydrophobicContact CD2-CD2 4.07Å; L236-L238 HydrophobicContact CD2-CG 4.49Å; L236-L238 HydrophobicContact CG-CD2 3.94Å; L236-L238 HydrophobicContact CG-CG 4.36Å; L236-T258 WeakPolarHBondContact CA-O 3.37Å; L236-V260 HydrophobicContact CD1-CG2 3.74Å
237A98.4Very high93.6Very high0 Ų042.7 Ų42.70%021%0.213CC..EExtended strand (participates in β ladder)trans-121.3137.8167.400000111.1I167 L249 L253 T258 M259 V260I167-A237 HydrophobicContact CG2-CB 3.63Å; I167-A237 CarbonylContact O-C 3.53Å; I167-A237 WeakPolarHBondContact O-CA 3.3Å; A237-L249 HydrophobicContact CB-CB 4Å; A237-L249 HydrophobicContact CB-CD1 4.49Å; A237-L253 HydrophobicContact CB-CD2 3.71Å; A237-L253 HydrophobicContact CB-CG 4.3Å; A237-T258 PolarHBondContact N-O 3.1Å; A237-M259 HydrophobicContact CB-CB 4.06Å; A237-M259 HydrophobicContact CB-CG 4.08Å; A237-M259 CarbonylContact O-C 3.53Å; A237-M259 VanDerWaalsContact O-CA 3.27Å; A237-M259 WeakPolarHBondContact O-CA 3.45Å; A237-V260 PolarHBondContact O-N 3.04Å
238L98.7Very high93.6Very high0 Ų039.4 Ų39.40%020%0.202CC..EExtended strand (participates in β ladder)trans-114.9120.1-179.8-56-179.5000110.6L153 L166 I167 Q168 N169 V179 L236 L249 V260 Y262L153-L238 HydrophobicContact CB-CD1 4.19Å; L153-L238 HydrophobicContact CB-CD2 3.98Å; L153-L238 HydrophobicContact CD1-CD1 4.33Å; L153-L238 HydrophobicContact CD1-CD2 4.4Å; L153-L238 HydrophobicContact CD2-CD2 4.13Å; L153-L238 HydrophobicContact CG-CD2 4.4Å; L166-L238 HydrophobicContact CD1-CD1 3.86Å; L166-L238 HydrophobicContact CD1-CG 4.3Å; I167-L238 PolarHBondContact O-N 2.74Å; Q168-L238 VanDerWaalsContact CA-O 3.31Å; Q168-L238 WeakPolarHBondContact CA-O 3.27Å; Q168-L238 HydrophobicContact CB-CB 3.91Å; N169-L238 PolarHBondContact N-O 2.68Å; N169-L238 VanDerWaalsContact N-O 3.11Å; V179-L238 HydrophobicContact CB-CD1 4.45Å; V179-L238 HydrophobicContact CG1-CD1 3.73Å; V179-L238 HydrophobicContact CG2-CD1 3.8Å; L236-L238 HydrophobicContact CD1-CD2 3.9Å; L236-L238 HydrophobicContact CD2-CD2 4.07Å; L236-L238 HydrophobicContact CD2-CG 4.49Å; L236-L238 HydrophobicContact CG-CD2 3.94Å; L236-L238 HydrophobicContact CG-CG 4.36Å; L238-L249 WeakPolarHBondContact O-CD1 3.39Å; L238-V260 HydrophobicContact CD2-CB 4.02Å; L238-V260 HydrophobicContact CD2-CG2 4.4Å; L238-Y262 HydrophobicContact CB-CE1 4.18Å
239N98.1Very high93.8Very high0 Ų038.4 Ų38.40%019%0.194CC..EExtended strand (participates in β ladder)trans-110.6116.3-175.8178.341.9000111.6N169 L241 G242 L249 M259 V260 T261 Y262 G263 M270N169-N239 PolarHBondContact ND2-OD1 3.41Å; N169-N239 WeakPolarHBondContact OD1-CA 3.34Å; N169-N239 PolarHBondContact OD1-OD1 3.43Å; N239-L241 PolarHBondContact OD1-N 3.25Å; N239-G242 PolarHBondContact OD1-N 3.41Å; N239-G242 VanDerWaalsContact OD1-N 3.1Å; N239-L249 HydrophobicContact CB-CD1 3.85Å; N239-M259 HydrophobicContact CB-CG 4.04Å; N239-M259 HydrophobicContact CB-SD 3.82Å; N239-V260 PolarHBondContact N-O 3.38Å; N239-T261 WeakPolarHBondContact ND2-CG2 3.33Å; N239-T261 PolarHBondContact ND2-OG1 3.43Å; N239-T261 WeakPolarHBondContact O-CA 3.47Å; N239-Y262 WeakPolarHBondContact O-CD1 3.41Å; N239-Y262 PolarHBondContact O-N 2.92Å; N239-G263 PolarHBondContact O-N 3.17Å; N239-M270 PolarHBondContact ND2-SD 3.48Å
240C96Very high94.2Very high9 Ų928.3 Ų28.36%0.06115%0.15CC..SBendtrans-101.2-27.1175.3-172.70000112.5N169 Y262 G263 G264 M265N169-C240 PolarHBondContact OD1-N 2.85Å; C240-Y262 HydrophobicContact CB-CE1 4.09Å; C240-Y262 HydrophobicContact CB-CE2 4.15Å; C240-Y262 WeakPolarHBondContact CB-OH 3.33Å; C240-G263 CarbonylContact O-C 3.56Å; C240-G263 WeakPolarHBondContact O-CA 3.32Å; C240-G264 PolarHBondContact O-N 3.41Å; C240-G264 VanDerWaalsContact O-N 3.16Å; C240-M265 PolarHBondContact O-N 3.45Å; C240-M265 VanDerWaalsContact O-N 3.16Å
241L94.1Very high94.3Very high18 Ų1828.2 Ų28.29%0.09415%0.148CC..SBendtrans-92.3-50.6-165.3-63.1-177.1000112.9N169 N239 P245 G264 M265 T266N169-L241 HydrophobicContact CB-CD1 4.05Å; N169-L241 HydrophobicContact CB-CG 4.39Å; N169-L241 PolarHBondContact OD1-N 3.39Å; N239-L241 PolarHBondContact OD1-N 3.25Å; L241-P245 HydrophobicContact CD1-CB 4.02Å; L241-P245 HydrophobicContact CD1-CG 4.34Å; L241-G264 CarbonylContact O-C 3.17Å; L241-G264 WeakPolarHBondContact O-CA 3.47Å; L241-M265 HydrophobicContact CD2-CB 4.17Å; L241-M265 PolarHBondContact O-N 2.92Å; L241-M265 VanDerWaalsContact O-N 3.07Å; L241-T266 HydrophobicContact CB-CG2 3.98Å; L241-T266 PolarHBondContact O-N 3.37Å; L241-T266 PolarHBondContact O-OG1 2.92Å; L241-T266 VanDerWaalsContact O-OG1 3.09Å
242G93.2Very high94.2Very high4 Ų429.5 Ų29.54%0.04116%0.156CC..  trans81-162-161.400000112.2N239N239-G242 PolarHBondContact OD1-N 3.41Å; N239-G242 VanDerWaalsContact OD1-N 3.1Å
243G93.3Very high94.6Very high3 Ų328.5 Ų28.53%0.03114%0.144CC..Hα-helixtrans60.7-159178.400000115.1P245 A246 N268 P269 P271G243-P245 VanDerWaalsContact C-CD 3.48Å; G243-A246 WeakPolarHBondContact O-CB 3.22Å; G243-A246 PolarHBondContact O-N 3.34Å; G243-N268 PolarHBondContact N-O 2.88Å; G243-N268 VanDerWaalsContact N-O 3.15Å; G243-P269 WeakPolarHBondContact CA-O 3.34Å; G243-P271 WeakPolarHBondContact O-CD 3.18Å
244K93.3Very high94.9Very high168 Ų16824.7 Ų24.773%0.7312%0.121SC*.Hα-helixtrans-58.4-37.1176-67.9-179.9179.9177.20114.2A246 S247 P271K244-A246 PolarHBondContact O-N 3.11Å; K244-S247 VanDerWaalsContact O-CB 3.3Å; K244-S247 WeakPolarHBondContact O-CB 3.29Å; K244-S247 PolarHBondContact O-N 3.03Å; K244-S247 PolarHBondContact O-OG 2.78Å; K244-P271 HydrophobicContact CG-CG 3.96Å
245P93.5Very high94.9Very high19 Ų1930.2 Ų30.212%0.12315%0.15CC..Hα-helixtrans-57.3-29.8176.4-29.837.8000114.2L241 G243 S247 I248L241-P245 HydrophobicContact CD1-CB 4.02Å; L241-P245 HydrophobicContact CD1-CG 4.34Å; G243-P245 VanDerWaalsContact C-CD 3.48Å; P245-S247 VanDerWaalsContact C-N 3.26Å; P245-S247 PolarHBondContact O-N 3.08Å; P245-I248 PolarHBondContact O-N 3.28Å
246A95.4Very high95Very high0 Ų030.2 Ų30.20%016%0.16CC..Hα-helixtrans-64.6-30.8174.700000112.6G243 K244 I248 L249 V250 M259 M270 L272G243-A246 WeakPolarHBondContact O-CB 3.22Å; G243-A246 PolarHBondContact O-N 3.34Å; K244-A246 PolarHBondContact O-N 3.11Å; A246-I248 VanDerWaalsContact C-N 3.28Å; A246-I248 PolarHBondContact O-N 3.14Å; A246-L249 WeakPolarHBondContact O-CB 3.18Å; A246-L249 PolarHBondContact O-N 3.23Å; A246-V250 PolarHBondContact O-N 2.88Å; A246-M259 HydrophobicContact CB-CE 4.48Å; A246-M270 HydrophobicContact CB-CB 4.33Å; A246-M270 HydrophobicContact CB-CG 3.85Å; A246-M270 HydrophobicContact CB-SD 3.64Å; A246-L272 HydrophobicContact CB-CD2 4.18Å
247S94.2Very high94.9Very high13 Ų1330.2 Ų30.29%0.09116%0.16CC..Hα-helixtrans-68-27.8178.7-50.20000112.6K244 P245 L249 K251 P271K244-S247 VanDerWaalsContact O-CB 3.3Å; K244-S247 WeakPolarHBondContact O-CB 3.29Å; K244-S247 PolarHBondContact O-N 3.03Å; K244-S247 PolarHBondContact O-OG 2.78Å; P245-S247 VanDerWaalsContact C-N 3.26Å; P245-S247 PolarHBondContact O-N 3.08Å; S247-L249 VanDerWaalsContact C-N 3.35Å; S247-K251 WeakPolarHBondContact O-CG 3.4Å; S247-K251 PolarHBondContact O-N 3.1Å; S247-P271 PolarHBondContact OG-O 3Å
248I92.7Very high94.9Very high24 Ų2431 Ų3112%0.12316%0.164CC..Hα-helixtrans-63.7-43.6173.7-61.9175.7000110L193 E221 Y224 M225 P245 A246 N252L193-I248 HydrophobicContact CD1-CG2 4.16Å; E221-I248 HydrophobicContact CB-CD1 4.13Å; E221-I248 HydrophobicContact CG-CD1 4.18Å; Y224-I248 HydrophobicContact CD1-CG2 3.7Å; Y224-I248 HydrophobicContact CE1-CG2 3.52Å; M225-I248 HydrophobicContact SD-CG1 4.41Å; M225-I248 HydrophobicContact SD-CG2 4.15Å; P245-I248 PolarHBondContact O-N 3.28Å; A246-I248 VanDerWaalsContact C-N 3.28Å; A246-I248 PolarHBondContact O-N 3.14Å; I248-N252 PolarHBondContact O-ND2 3.07Å
249L95.6Very high94.9Very high0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-61.6-49.5178.3-58.4-176.6000111.2I167 N169 L193 A237 L238 N239 A246 S247 K251 N252 L253 M259I167-L249 HydrophobicContact CB-CD2 4.44Å; I167-L249 HydrophobicContact CD1-CD2 3.94Å; I167-L249 HydrophobicContact CG1-CD2 3.7Å; I167-L249 HydrophobicContact CG2-CD2 4.05Å; N169-L249 HydrophobicContact CB-CD1 4.25Å; N169-L249 HydrophobicContact CB-CD2 4.43Å; N169-L249 WeakPolarHBondContact ND2-CD1 3.27Å; L193-L249 HydrophobicContact CD1-CD2 4.14Å; A237-L249 HydrophobicContact CB-CB 4Å; A237-L249 HydrophobicContact CB-CD1 4.49Å; L238-L249 WeakPolarHBondContact O-CD1 3.39Å; N239-L249 HydrophobicContact CB-CD1 3.85Å; A246-L249 WeakPolarHBondContact O-CB 3.18Å; A246-L249 PolarHBondContact O-N 3.23Å; S247-L249 VanDerWaalsContact C-N 3.35Å; L249-K251 PolarHBondContact O-N 3.16Å; L249-N252 PolarHBondContact O-N 3.23Å; L249-L253 PolarHBondContact O-N 3.22Å; L249-M259 HydrophobicContact CB-SD 3.89Å; L249-M259 HydrophobicContact CD1-SD 3.99Å
250V95Very high95Very high0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-59.9-40.9-177.7163.30000113.2A246 N252 L253 M259 L272 P273 P276 I282 L284A246-V250 PolarHBondContact O-N 2.88Å; V250-N252 PolarHBondContact O-N 2.94Å; V250-L253 PolarHBondContact O-N 2.82Å; V250-M259 HydrophobicContact CG2-CE 3.54Å; V250-M259 HydrophobicContact CG2-SD 3.78Å; V250-L272 HydrophobicContact CB-CD2 4.38Å; V250-L272 HydrophobicContact CG2-CD1 4.26Å; V250-L272 HydrophobicContact CG2-CD2 3.81Å; V250-P273 HydrophobicContact CG1-CG 3.89Å; V250-P276 HydrophobicContact CG1-CB 4.13Å; V250-P276 HydrophobicContact CG1-CG 4.15Å; V250-I282 HydrophobicContact CB-CD1 4.42Å; V250-I282 HydrophobicContact CG1-CD1 3.51Å; V250-I282 HydrophobicContact CG2-CD1 4.43Å; V250-L284 HydrophobicContact CG2-CD2 4.13Å
251K90.8Very high95.1Very high117 Ų11732 Ų3251%0.50917%0.171SC..Hα-helixtrans-60.8-32.4-179.3-75.8175.8179.1-177.80113S247 L249 P273 K280S247-K251 WeakPolarHBondContact O-CG 3.4Å; S247-K251 PolarHBondContact O-N 3.1Å; L249-K251 PolarHBondContact O-N 3.16Å; K251-P273 HydrophobicContact CG-CG 3.86Å; K251-K280 PolarHBondContact O-NZ 2.96Å
252N89.2Confident95.2Very high43 Ų4333 Ų3323%0.2317%0.173CC..Hα-helixtrans-100.5-2.9-170.4-64.9-73.6000114.1Y224 F234 I248 L249 V250Y224-N252 WeakPolarHBondContact OH-CB 3.45Å; Y224-N252 PolarHBondContact OH-ND2 2.86Å; Y224-N252 VanDerWaalsContact OH-ND2 3.08Å; Y224-N252 PolarHBondContact OH-OD1 3.45Å; F234-N252 HydrophobicContact CD2-CB 3.79Å; F234-N252 WeakPolarHBondContact CD2-O 3.35Å; F234-N252 HydrophobicContact CE2-CB 3.86Å; I248-N252 PolarHBondContact O-ND2 3.07Å; L249-N252 PolarHBondContact O-N 3.23Å; V250-N252 PolarHBondContact O-N 2.94Å
253L95.6Very high95.3Very high1 Ų133.9 Ų33.91%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-56.3144.4170-77173.9000111.1F234 A237 L249 V250 M259 K280 I282F234-L253 WeakPolarHBondContact O-CA 3.3Å; F234-L253 WeakPolarHBondContact O-CD2 3.11Å; A237-L253 HydrophobicContact CB-CD2 3.71Å; A237-L253 HydrophobicContact CB-CG 4.3Å; L249-L253 PolarHBondContact O-N 3.22Å; V250-L253 PolarHBondContact O-N 2.82Å; L253-M259 HydrophobicContact CD1-CB 4.05Å; L253-K280 WeakPolarHBondContact O-CD 3.3Å; L253-K280 PolarHBondContact O-NZ 3.07Å; L253-I282 HydrophobicContact CB-CG2 3.84Å; L253-I282 HydrophobicContact CD1-CB 4.1Å; L253-I282 HydrophobicContact CD1-CD1 4.21Å; L253-I282 HydrophobicContact CD1-CG2 4.06Å
254S95.7Very high95.2Very high22 Ų2235.8 Ų35.815%0.15420%0.202CC..EExtended strand (participates in β ladder)trans-70.1172.9170.169.80000111.3F234 S256 G257F234-S254 PolarHBondContact O-N 3.34Å; F234-S254 PolarHBondContact O-OG 3.5Å; S254-S256 PolarHBondContact O-N 3.05Å; S254-G257 PolarHBondContact O-N 3.38Å
255N96.5Very high94.9Very high117 Ų11730 Ų3063%0.62618%0.178SC*.EExtended strand (participates in β ladder)trans-54137.2166-67.87.3000109.8G257 K280N255-G257 PolarHBondContact O-N 3.07Å; N255-K280 CarbonylContact C-O 3.5Å; N255-K280 VanDerWaalsContact CA-O 3.31Å; N255-K280 WeakPolarHBondContact CA-O 3.41Å
256S96.9Very high94.7Very high76 Ų7629.6 Ų29.653%0.53118%0.175SC..EExtended strand (participates in β ladder)trans54.318.4-175.2-51.40000114.4S254 K280 D281S254-S256 PolarHBondContact O-N 3.05Å; S256-K280 PolarHBondContact N-O 3.17Å; S256-D281 WeakPolarHBondContact CA-O 3.38Å; S256-D281 PolarHBondContact OG-OD2 3.27Å
257G97.7Very high94.4Very high0 Ų036.9 Ų36.90%020%0.203CC..EExtended strand (participates in β ladder)trans-67.3150.4177.900000111.6K235 S254 N255 I282 S283K235-G257 WeakPolarHBondContact O-CA 3.36Å; S254-G257 PolarHBondContact O-N 3.38Å; N255-G257 PolarHBondContact O-N 3.07Å; G257-I282 CarbonylContact O-C 3.47Å; G257-I282 VanDerWaalsContact O-CA 3.27Å; G257-I282 WeakPolarHBondContact O-CA 3.42Å; G257-I282 WeakPolarHBondContact O-CB 3.38Å; G257-S283 PolarHBondContact O-N 3.31Å
258T98.5Very high94.2Very high16 Ų1640.8 Ų40.810%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-117.6130.5-179-63.20000111.4K235 L236 A237 V260 S283 R285K235-T258 PolarHBondContact O-N 3.41Å; L236-T258 WeakPolarHBondContact CA-O 3.37Å; A237-T258 PolarHBondContact N-O 3.1Å; T258-V260 HydrophobicContact CG2-CG2 4.05Å; T258-S283 CarbonylContact C-O 3.6Å; T258-S283 VanDerWaalsContact CA-O 3.29Å; T258-S283 WeakPolarHBondContact CA-O 3.39Å; T258-R285 HydrophobicContact CG2-CB 4.38Å; T258-R285 HydrophobicContact CG2-CG 3.86Å
259M98.4Very high94.3Very high0 Ų045.1 Ų45.10%025%0.252CS..EExtended strand (participates in β ladder)trans-97.8124.6163.2-178.6176.770.400110.1A237 N239 A246 L249 V250 L253 M270 L272 S283 L284 R285A237-M259 HydrophobicContact CB-CB 4.06Å; A237-M259 HydrophobicContact CB-CG 4.08Å; A237-M259 CarbonylContact O-C 3.53Å; A237-M259 VanDerWaalsContact O-CA 3.27Å; A237-M259 WeakPolarHBondContact O-CA 3.45Å; N239-M259 HydrophobicContact CB-CG 4.04Å; N239-M259 HydrophobicContact CB-SD 3.82Å; A246-M259 HydrophobicContact CB-CE 4.48Å; L249-M259 HydrophobicContact CB-SD 3.89Å; L249-M259 HydrophobicContact CD1-SD 3.99Å; V250-M259 HydrophobicContact CG2-CE 3.54Å; V250-M259 HydrophobicContact CG2-SD 3.78Å; L253-M259 HydrophobicContact CD1-CB 4.05Å; M259-M270 HydrophobicContact CE-SD 4.23Å; M259-L272 HydrophobicContact CE-CD1 4.12Å; M259-L272 HydrophobicContact CE-CD2 4.41Å; M259-S283 PolarHBondContact N-O 3.32Å; M259-L284 HydrophobicContact CB-CD2 3.77Å; M259-L284 HydrophobicContact CE-CD2 3.64Å; M259-L284 WeakPolarHBondContact O-CA 3.29Å; M259-R285 PolarHBondContact O-N 3.21Å
260V98.7Very high94.2Very high0 Ų048.5 Ų48.50%027%0.269CS..EExtended strand (participates in β ladder)trans-102.8117.2174.5-170.30000109.3L153 F157 L236 A237 L238 N239 T258 R285 F287L153-V260 HydrophobicContact CD2-CB 4.1Å; L153-V260 HydrophobicContact CD2-CG1 3.45Å; L153-V260 VanDerWaalsContact CD2-CG1 3.45Å; F157-V260 HydrophobicContact CB-CG2 3.72Å; F157-V260 HydrophobicContact CD1-CB 4.48Å; F157-V260 HydrophobicContact CD1-CG1 4.08Å; F157-V260 HydrophobicContact CD1-CG2 3.52Å; F157-V260 HydrophobicContact CD2-CG1 4.19Å; F157-V260 HydrophobicContact CD2-CG2 3.97Å; F157-V260 HydrophobicContact CE1-CG1 3.79Å; F157-V260 HydrophobicContact CE1-CG2 4.1Å; F157-V260 HydrophobicContact CE2-CG1 3.91Å; F157-V260 HydrophobicContact CG-CG1 4.28Å; F157-V260 HydrophobicContact CG-CG2 3.45Å; F157-V260 VanDerWaalsContact CG-CG2 3.45Å; F157-V260 HydrophobicContact CZ-CG1 3.71Å; L236-V260 HydrophobicContact CD1-CG2 3.74Å; A237-V260 PolarHBondContact O-N 3.04Å; L238-V260 HydrophobicContact CD2-CB 4.02Å; L238-V260 HydrophobicContact CD2-CG2 4.4Å; N239-V260 PolarHBondContact N-O 3.38Å; T258-V260 HydrophobicContact CG2-CG2 4.05Å; V260-R285 CarbonylContact C-O 3.56Å; V260-R285 WeakPolarHBondContact CA-O 3.27Å; V260-F287 HydrophobicContact CG1-CB 3.66Å
261T98.3Very high94.1Very high32 Ų3252.1 Ų52.120%0.19629%0.292CS..EExtended strand (participates in β ladder)trans-96118.4174.9-60.70000109.7N239 G263 R285 G286 F287N239-T261 WeakPolarHBondContact ND2-CG2 3.33Å; N239-T261 PolarHBondContact ND2-OG1 3.43Å; N239-T261 WeakPolarHBondContact O-CA 3.47Å; T261-G263 WeakPolarHBondContact CG2-O 3.34Å; T261-R285 PolarHBondContact N-O 3.26Å; T261-G286 CarbonylContact O-C 3.21Å; T261-G286 WeakPolarHBondContact O-CA 3.37Å; T261-F287 PolarHBondContact O-N 3.06Å
262Y97.5Very high94.3Very high38 Ų3848.2 Ų48.215%0.14928%0.277CS..  trans-121.9-5.6-179.271.4-89.9000113.1T149 L153 V175 L238 N239 C240T149-Y262 HydrophobicContact CG2-CD2 4.08Å; T149-Y262 HydrophobicContact CG2-CG 4.45Å; L153-Y262 HydrophobicContact CD1-CD1 3.46Å; L153-Y262 VanDerWaalsContact CD1-CD1 3.46Å; L153-Y262 HydrophobicContact CD1-CD2 4.29Å; L153-Y262 HydrophobicContact CD1-CE1 3.74Å; L153-Y262 HydrophobicContact CD1-CG 3.75Å; L153-Y262 HydrophobicContact CD2-CD1 4.22Å; L153-Y262 HydrophobicContact CD2-CG 4.42Å; L153-Y262 HydrophobicContact CG-CD1 4.49Å; V175-Y262 HydrophobicContact CB-CE2 3.62Å; V175-Y262 HydrophobicContact CG1-CD2 4.16Å; V175-Y262 HydrophobicContact CG1-CE1 4.45Å; V175-Y262 HydrophobicContact CG1-CE2 3.47Å; V175-Y262 VanDerWaalsContact CG1-CE2 3.47Å; V175-Y262 HydrophobicContact CG2-CD2 4.47Å; V175-Y262 HydrophobicContact CG2-CE2 3.89Å; L238-Y262 HydrophobicContact CB-CE1 4.18Å; N239-Y262 WeakPolarHBondContact O-CD1 3.41Å; N239-Y262 PolarHBondContact O-N 2.92Å; C240-Y262 HydrophobicContact CB-CE1 4.09Å; C240-Y262 HydrophobicContact CB-CE2 4.15Å; C240-Y262 WeakPolarHBondContact CB-OH 3.33Å
263G94.2Very high94.5Very high22 Ų2248 Ų4823%0.22728%0.277CS..  trans-144.7167.6176.100000111.3N239 C240 T261N239-G263 PolarHBondContact O-N 3.17Å; C240-G263 CarbonylContact O-C 3.56Å; C240-G263 WeakPolarHBondContact O-CA 3.32Å; T261-G263 WeakPolarHBondContact CG2-O 3.34Å
264G92.5Very high94.5Very high43 Ų4352.6 Ų52.644%0.44331%0.306SS..  trans-145.546.5178.600000111C240 L241 T266 R267C240-G264 PolarHBondContact O-N 3.41Å; C240-G264 VanDerWaalsContact O-N 3.16Å; L241-G264 CarbonylContact O-C 3.17Å; L241-G264 WeakPolarHBondContact O-CA 3.47Å; G264-T266 PolarHBondContact O-N 3Å; G264-T266 VanDerWaalsContact O-N 3.14Å; G264-R267 PolarHBondContact O-N 3.3Å
265M87.3Confident94.5Very high47 Ų4752.9 Ų52.923%0.23231%0.312CS..THydrogen-bonded Turntrans-59.2-27.7-169.4-65.4-56.1-55.600114.2P63 C240 L241 R267 F339P63-M265 HydrophobicContact CB-CE 4.22Å; P63-M265 HydrophobicContact CB-SD 4.29Å; P63-M265 HydrophobicContact CG-CE 4.27Å; P63-M265 HydrophobicContact CG-SD 4.48Å; C240-M265 PolarHBondContact O-N 3.45Å; C240-M265 VanDerWaalsContact O-N 3.16Å; L241-M265 HydrophobicContact CD2-CB 4.17Å; L241-M265 PolarHBondContact O-N 2.92Å; L241-M265 VanDerWaalsContact O-N 3.07Å; M265-R267 VanDerWaalsContact C-N 3.29Å; M265-F339 HydrophobicContact CB-CZ 4.44Å; M265-F339 HydrophobicContact CE-CB 4.13Å; M265-F339 HydrophobicContact CE-CD1 4.14Å; M265-F339 HydrophobicContact CE-CD2 3.63Å; M265-F339 HydrophobicContact CE-CE2 4.05Å; M265-F339 HydrophobicContact CE-CG 3.68Å; M265-F339 HydrophobicContact CE-CZ 4.47Å; M265-F339 VanDerWaalsContact O-CE1 3.23Å; M265-F339 WeakPolarHBondContact O-CE1 3.35Å
266T88.8Confident94.5Very high11 Ų1148.1 Ų48.17%0.06729%0.288CS..THydrogen-bonded Turntrans-82.2-8.817770.90000113L241 G264 N268L241-T266 HydrophobicContact CB-CG2 3.98Å; L241-T266 PolarHBondContact O-N 3.37Å; L241-T266 PolarHBondContact O-OG1 2.92Å; L241-T266 VanDerWaalsContact O-OG1 3.09Å; G264-T266 PolarHBondContact O-N 3Å; G264-T266 VanDerWaalsContact O-N 3.14Å; T266-N268 VanDerWaalsContact O-CG 3.29Å; T266-N268 PolarHBondContact O-N 2.87Å; T266-N268 PolarHBondContact O-ND2 2.92Å
267R88.2Confident94.4Very high153 Ų15348.3 Ų48.358%0.57728%0.279SS*.  trans51.923.3-176.4-55.3-176.2-176.2-98.4-3.1114.5D67 G264 M265D67-R267 IonicContact OD1-CZ 3.37Å; D67-R267 IonicContact OD1-NH1 3.61Å; D67-R267 PolarHBondContact OD1-NH1 2.86Å; D67-R267 IonicContact OD1-NH2 2.72Å; D67-R267 PolarHBondContact OD1-NH2 3.34Å; G264-R267 PolarHBondContact O-N 3.3Å; M265-R267 VanDerWaalsContact C-N 3.29Å
268N91.1Very high94.4Very high94 Ų9453.8 Ų53.850%0.50331%0.307SS..  trans-107.9140.4-176.9-72.8-38.5000110.2G243 T266G243-N268 PolarHBondContact N-O 2.88Å; G243-N268 VanDerWaalsContact N-O 3.15Å; T266-N268 VanDerWaalsContact O-CG 3.29Å; T266-N268 PolarHBondContact O-N 2.87Å; T266-N268 PolarHBondContact O-ND2 2.92Å
269P93.8Very high94.3Very high115 Ų11560.9 Ų60.975%0.74734%0.337SS*.  trans-53.5149.7168.6-2433.6000111.8G243 P271G243-P269 WeakPolarHBondContact CA-O 3.34Å; P269-P271 VanDerWaalsContact O-CD 3.27Å; P269-P271 WeakPolarHBondContact O-CD 3.23Å
270M93.7Very high94.2Very high72 Ų7264 Ų6436%0.35535%0.351SS..  trans-92.3109.2179.7-62.3-176.3-68.300110.7N239 A246 M259 L272N239-M270 PolarHBondContact ND2-SD 3.48Å; A246-M270 HydrophobicContact CB-CB 4.33Å; A246-M270 HydrophobicContact CB-CG 3.85Å; A246-M270 HydrophobicContact CB-SD 3.64Å; M259-M270 HydrophobicContact CE-SD 4.23Å; M270-L272 VanDerWaalsContact C-N 3.31Å; M270-L272 HydrophobicContact CB-CD1 4.18Å; M270-L272 HydrophobicContact CB-CD2 3.84Å; M270-L272 HydrophobicContact CB-CG 3.79Å; M270-L272 HydrophobicContact CE-CD1 4.44Å; M270-L272 PolarHBondContact O-N 3.29Å
271P93.5Very high94.2Very high76 Ų7669 Ų6949%0.49438%0.378SS..  trans-81.876.4177.734.1-33.3000110.3G243 K244 S247 P269G243-P271 WeakPolarHBondContact O-CD 3.18Å; K244-P271 HydrophobicContact CG-CG 3.96Å; S247-P271 PolarHBondContact OG-O 3Å; P269-P271 VanDerWaalsContact O-CD 3.27Å; P269-P271 WeakPolarHBondContact O-CD 3.23Å
272L94.6Very high94.1Very high35 Ų3568 Ų6818%0.18337%0.37CS..  trans-82.1136.6-171.8-56.8-178.6000111.8A246 V250 M259 M270 F277 L284A246-L272 HydrophobicContact CB-CD2 4.18Å; V250-L272 HydrophobicContact CB-CD2 4.38Å; V250-L272 HydrophobicContact CG2-CD1 4.26Å; V250-L272 HydrophobicContact CG2-CD2 3.81Å; M259-L272 HydrophobicContact CE-CD1 4.12Å; M259-L272 HydrophobicContact CE-CD2 4.41Å; M270-L272 VanDerWaalsContact C-N 3.31Å; M270-L272 HydrophobicContact CB-CD1 4.18Å; M270-L272 HydrophobicContact CB-CD2 3.84Å; M270-L272 HydrophobicContact CB-CG 3.79Å; M270-L272 HydrophobicContact CE-CD1 4.44Å; M270-L272 PolarHBondContact O-N 3.29Å; L272-F277 HydrophobicContact CB-CE2 4.29Å; L272-L284 HydrophobicContact CD1-CD1 3.26Å; L272-L284 HydrophobicContact CD1-CD2 4.5Å
273P93.2Very high94.1Very high37 Ų3768.8 Ų68.824%0.2438%0.382CS..  trans-69.6136.917729.3-34.3000110.9V250 K251 P276 F277V250-P273 HydrophobicContact CG1-CG 3.89Å; K251-P273 HydrophobicContact CG-CG 3.86Å; P273-P276 HydrophobicContact CG-CG 4.09Å; P273-P276 WeakPolarHBondContact O-CD 3.43Å; P273-F277 WeakPolarHBondContact O-CD2 3.11Å; P273-F277 WeakPolarHBondContact O-CE2 3.49Å
274V95.1Very high94.3Very high98 Ų9870.6 Ų70.659%0.59439%0.386SS*.SBendtrans-72.4-32.3-178.9-179.90000112.3F277 I278V274-F277 WeakPolarHBondContact O-CB 3.31Å; V274-F277 PolarHBondContact O-N 3.09Å; V274-I278 HydrophobicContact CG1-CD1 3.74Å; V274-I278 HydrophobicContact CG1-CG1 4.15Å; V274-I278 PolarHBondContact O-N 3.48Å
275G96.4Very high94.6Very high29 Ų2975.3 Ų75.330%0.29939%0.39SS..Hα-helixtrans-50.9-51.1-175.500000114.8F277 I278 F279G275-F277 PolarHBondContact O-N 3.45Å; G275-I278 PolarHBondContact O-N 2.63Å; G275-I278 VanDerWaalsContact O-N 3.14Å; G275-F279 VanDerWaalsContact O-CD2 3.28Å; G275-F279 WeakPolarHBondContact O-CD2 3.48Å; G275-F279 PolarHBondContact O-N 2.65Å
276P95.7Very high95Very high17 Ų1776.1 Ų76.111%0.1141%0.411CS..Hα-helixtrans-55.5-32.2175.4-31.338.3000115.2V250 P273 K280 D281 I282V250-P276 HydrophobicContact CG1-CB 4.13Å; V250-P276 HydrophobicContact CG1-CG 4.15Å; P273-P276 HydrophobicContact CG-CG 4.09Å; P273-P276 WeakPolarHBondContact O-CD 3.43Å; P276-K280 CarbonylContact O-C 3.46Å; P276-K280 WeakPolarHBondContact O-CA 3.29Å; P276-K280 VanDerWaalsContact O-CB 3.29Å; P276-K280 WeakPolarHBondContact O-CB 3.4Å; P276-K280 PolarHBondContact O-N 3.19Å; P276-D281 PolarHBondContact O-N 2.87Å; P276-I282 HydrophobicContact CB-CD1 3.68Å; P276-I282 HydrophobicContact CB-CG1 4.11Å; P276-I282 HydrophobicContact CB-CG2 4.27Å; P276-I282 PolarHBondContact O-N 3.21Å
277F95.9Very high95.5Very high79 Ų7976.6 Ų76.635%0.34641%0.412SS..Hα-helixtrans-67.4-43.7176.2-66.4-96.5000111.6L272 P273 V274 G275 D281 I282 L284L272-F277 HydrophobicContact CB-CE2 4.29Å; P273-F277 WeakPolarHBondContact O-CD2 3.11Å; P273-F277 WeakPolarHBondContact O-CE2 3.49Å; V274-F277 WeakPolarHBondContact O-CB 3.31Å; V274-F277 PolarHBondContact O-N 3.09Å; G275-F277 PolarHBondContact O-N 3.45Å; F277-D281 WeakPolarHBondContact O-CA 3.38Å; F277-D281 PolarHBondContact O-N 3.46Å; F277-I282 HydrophobicContact CD1-CD1 4.5Å; F277-I282 HydrophobicContact CD1-CG1 4.05Å; F277-I282 HydrophobicContact CD2-CD1 4.26Å; F277-I282 HydrophobicContact CD2-CG1 4.41Å; F277-I282 HydrophobicContact CE1-CG1 4.44Å; F277-I282 HydrophobicContact CE2-CD1 4.27Å; F277-I282 HydrophobicContact CG-CD1 4.41Å; F277-I282 HydrophobicContact CG-CG1 4.08Å; F277-I282 HydrophobicContact CZ-CD1 4.45Å; F277-L284 HydrophobicContact CE1-CD1 3.85Å; F277-L284 HydrophobicContact CE1-CG 3.82Å; F277-L284 HydrophobicContact CZ-CD1 3.49Å; F277-L284 VanDerWaalsContact CZ-CD1 3.49Å; F277-L284 HydrophobicContact CZ-CG 3.89Å
278I97.2Very high95.8Very high115 Ų11573.6 Ų73.659%0.5940%0.401SS*.Hα-helixtrans-75.3-48.1-176.3-59.7176.2000110.9V274 G275V274-I278 HydrophobicContact CG1-CD1 3.74Å; V274-I278 HydrophobicContact CG1-CG1 4.15Å; V274-I278 PolarHBondContact O-N 3.48Å; G275-I278 PolarHBondContact O-N 2.63Å; G275-I278 VanDerWaalsContact O-N 3.14Å
279F96.9Very high96Very high165 Ų16569.8 Ų69.872%0.72438%0.38SS*.Hα-helixtrans-101.1-10.9-166-55.1-62.2000114.2G275G275-F279 VanDerWaalsContact O-CD2 3.28Å; G275-F279 WeakPolarHBondContact O-CD2 3.48Å; G275-F279 PolarHBondContact O-N 2.65Å
280K96.5Very high95.9Very high66 Ų6664.9 Ų64.929%0.28735%0.349SS..Hα-helixtrans-1240.8175.4-61-178.3172.7-174.50113.1K251 L253 N255 S256 P276 I282K251-K280 PolarHBondContact O-NZ 2.96Å; L253-K280 WeakPolarHBondContact O-CD 3.3Å; L253-K280 PolarHBondContact O-NZ 3.07Å; N255-K280 CarbonylContact C-O 3.5Å; N255-K280 VanDerWaalsContact CA-O 3.31Å; N255-K280 WeakPolarHBondContact CA-O 3.41Å; S256-K280 PolarHBondContact N-O 3.17Å; P276-K280 CarbonylContact O-C 3.46Å; P276-K280 WeakPolarHBondContact O-CA 3.29Å; P276-K280 VanDerWaalsContact O-CB 3.29Å; P276-K280 WeakPolarHBondContact O-CB 3.4Å; P276-K280 PolarHBondContact O-N 3.19Å; K280-I282 HydrophobicContact CB-CG2 3.94Å; K280-I282 PolarHBondContact O-N 2.83Å
281D97.3Very high95.8Very high106 Ų10663 Ų6357%0.56734%0.343SS*.  trans50.840.6179.5-175.242000113.1S256 P276 F277S256-D281 WeakPolarHBondContact CA-O 3.38Å; S256-D281 PolarHBondContact OG-OD2 3.27Å; P276-D281 PolarHBondContact O-N 2.87Å; F277-D281 WeakPolarHBondContact O-CA 3.38Å; F277-D281 PolarHBondContact O-N 3.46Å
282I97.6Very high95.8Very high9 Ų960.9 Ų60.95%0.04633%0.326CS..  trans-70.4152.1-178.966.2164000111.5V250 L253 G257 P276 F277 K280 L284V250-I282 HydrophobicContact CB-CD1 4.42Å; V250-I282 HydrophobicContact CG1-CD1 3.51Å; V250-I282 HydrophobicContact CG2-CD1 4.43Å; L253-I282 HydrophobicContact CB-CG2 3.84Å; L253-I282 HydrophobicContact CD1-CB 4.1Å; L253-I282 HydrophobicContact CD1-CD1 4.21Å; L253-I282 HydrophobicContact CD1-CG2 4.06Å; G257-I282 CarbonylContact O-C 3.47Å; G257-I282 VanDerWaalsContact O-CA 3.27Å; G257-I282 WeakPolarHBondContact O-CA 3.42Å; G257-I282 WeakPolarHBondContact O-CB 3.38Å; P276-I282 HydrophobicContact CB-CD1 3.68Å; P276-I282 HydrophobicContact CB-CG1 4.11Å; P276-I282 HydrophobicContact CB-CG2 4.27Å; P276-I282 PolarHBondContact O-N 3.21Å; F277-I282 HydrophobicContact CD1-CD1 4.5Å; F277-I282 HydrophobicContact CD1-CG1 4.05Å; F277-I282 HydrophobicContact CD2-CD1 4.26Å; F277-I282 HydrophobicContact CD2-CG1 4.41Å; F277-I282 HydrophobicContact CE1-CG1 4.44Å; F277-I282 HydrophobicContact CE2-CD1 4.27Å; F277-I282 HydrophobicContact CG-CD1 4.41Å; F277-I282 HydrophobicContact CG-CG1 4.08Å; F277-I282 HydrophobicContact CZ-CD1 4.45Å; K280-I282 HydrophobicContact CB-CG2 3.94Å; K280-I282 PolarHBondContact O-N 2.83Å; I282-L284 HydrophobicContact CD1-CD2 4.47Å
283S97.7Very high95.7Very high55 Ų5559.9 Ų59.939%0.38532%0.321SS..EExtended strand (participates in β ladder)trans-112.5142.3174.3-77.30000112.1G257 T258 M259G257-S283 PolarHBondContact O-N 3.31Å; T258-S283 CarbonylContact C-O 3.6Å; T258-S283 VanDerWaalsContact CA-O 3.29Å; T258-S283 WeakPolarHBondContact CA-O 3.39Å; M259-S283 PolarHBondContact N-O 3.32Å
284L97.7Very high95.5Very high61 Ų6164.1 Ų64.132%0.31934%0.341SS..EExtended strand (participates in β ladder)trans-113.4130.7170.5-57.9-169.8000110.2V250 M259 L272 F277 I282V250-L284 HydrophobicContact CG2-CD2 4.13Å; M259-L284 HydrophobicContact CB-CD2 3.77Å; M259-L284 HydrophobicContact CE-CD2 3.64Å; M259-L284 WeakPolarHBondContact O-CA 3.29Å; L272-L284 HydrophobicContact CD1-CD1 3.26Å; L272-L284 HydrophobicContact CD1-CD2 4.5Å; F277-L284 HydrophobicContact CE1-CD1 3.85Å; F277-L284 HydrophobicContact CE1-CG 3.82Å; F277-L284 HydrophobicContact CZ-CD1 3.49Å; F277-L284 VanDerWaalsContact CZ-CD1 3.49Å; F277-L284 HydrophobicContact CZ-CG 3.89Å; I282-L284 HydrophobicContact CD1-CD2 4.47Å
285R97.9Very high95.4Very high141 Ų14167.2 Ų67.253%0.53234%0.342SS..EExtended strand (participates in β ladder)trans-130.6138.7-178.6-62.6-66.7-64.6-85.7-5110.4F157 T258 M259 V260 T261F157-R285 HydrophobicContact CD1-CB 4.15Å; F157-R285 HydrophobicContact CD1-CG 4.43Å; F157-R285 HydrophobicContact CE1-CB 4.01Å; T258-R285 HydrophobicContact CG2-CB 4.38Å; T258-R285 HydrophobicContact CG2-CG 3.86Å; M259-R285 PolarHBondContact O-N 3.21Å; V260-R285 CarbonylContact C-O 3.56Å; V260-R285 WeakPolarHBondContact CA-O 3.27Å; T261-R285 PolarHBondContact N-O 3.26Å
286G97.5Very high95.1Very high65 Ų6568 Ų6867%0.6734%0.338SS*.EExtended strand (participates in β ladder)trans-87.2143.216500000110.6T261T261-G286 CarbonylContact O-C 3.21Å; T261-G286 WeakPolarHBondContact O-CA 3.37Å
287F97.9Very high94.9Very high20 Ų2069.5 Ų69.59%0.08835%0.348CS..  trans-126.2124.4169.9-177.5-123.5000111.2T149 H152 L153 F157 V260 T261 L289 F292T149-F287 HydrophobicContact CG2-CD1 4.14Å; T149-F287 HydrophobicContact CG2-CE1 3.95Å; H152-F287 HydrophobicContact CB-CE1 3.98Å; H152-F287 HydrophobicContact CB-CE2 4.31Å; H152-F287 HydrophobicContact CB-CZ 3.49Å; H152-F287 VanDerWaalsContact CB-CZ 3.49Å; L153-F287 HydrophobicContact CD2-CB 4.02Å; L153-F287 HydrophobicContact CD2-CD1 3.57Å; L153-F287 HydrophobicContact CD2-CE1 4.36Å; L153-F287 HydrophobicContact CD2-CG 4.05Å; L153-F287 HydrophobicContact CG-CD1 3.99Å; L153-F287 HydrophobicContact CG-CE1 4.36Å; F157-F287 HydrophobicContact CE2-CB 4.14Å; F157-F287 AromaticContact CE2-CD2 3.84Å; F157-F287 HydrophobicContact CE2-CD2 3.84Å; F157-F287 HydrophobicContact CE2-CE2 4.38Å; F157-F287 AromaticContact CE2-CG 3.92Å; F157-F287 HydrophobicContact CE2-CG 3.92Å; F157-F287 HydrophobicContact CZ-CB 3.62Å; F157-F287 AromaticContact CZ-CD2 3.52Å; F157-F287 HydrophobicContact CZ-CD2 3.52Å; F157-F287 HydrophobicContact CZ-CE2 4.38Å; F157-F287 AromaticContact CZ-CG 3.72Å; F157-F287 HydrophobicContact CZ-CG 3.72Å; V260-F287 HydrophobicContact CG1-CB 3.66Å; T261-F287 PolarHBondContact O-N 3.06Å; F287-L289 HydrophobicContact CE1-CB 4.32Å; F287-L289 HydrophobicContact CZ-CB 4.35Å; F287-L289 HydrophobicContact CZ-CD1 4.14Å; F287-F292 HydrophobicContact CE2-CB 3.7Å; F287-F292 AromaticContact CE2-CD2 4Å; F287-F292 HydrophobicContact CE2-CD2 4Å; F287-F292 AromaticContact CE2-CG 3.86Å; F287-F292 HydrophobicContact CE2-CG 3.86Å; F287-F292 HydrophobicContact CZ-CB 4.26Å; F287-F292 HydrophobicContact CZ-CG 4.34Å
288W95.3Very high94.6Very high90 Ų9069.4 Ų69.434%0.34136%0.356SS..  trans-126.9108.6173.4178.830.4000109.5Y73 P74 I75 S290 S291 F292Y73-W288 HydrophobicContact CE1-CZ2 4.37Å; Y73-W288 AromaticContact CZ-NE1 3.63Å; Y73-W288 PolarHBondContact OH-NE1 3.14Å; P74-W288 HydrophobicContact CB-CH2 4.09Å; P74-W288 HydrophobicContact CB-CZ2 4.4Å; I75-W288 HydrophobicContact CD1-CH2 3.95Å; I75-W288 HydrophobicContact CD1-CZ2 3.51Å; I75-W288 HydrophobicContact CG1-CH2 3.83Å; I75-W288 HydrophobicContact CG1-CZ2 3.69Å; W288-S290 VanDerWaalsContact C-N 3.29Å; W288-S290 VanDerWaalsContact CE2-CB 3.46Å; W288-S290 VanDerWaalsContact NE1-CB 3.29Å; W288-S290 PolarHBondContact NE1-OG 3.26Å; W288-S290 PolarHBondContact O-N 2.89Å; W288-S291 PolarHBondContact O-N 3.43Å; W288-F292 PolarHBondContact O-N 2.83Å
289L94.7Very high94.4Very high14 Ų1467.7 Ų67.77%0.07335%0.354CS..Hα-helixtrans-55.6-42.3-175.8177.366000112.4A144 I145 T149 F287 S291 F292 N293A144-L289 WeakPolarHBondContact O-CD2 3.15Å; I145-L289 WeakPolarHBondContact O-CD2 3.35Å; T149-L289 VanDerWaalsContact OG1-CD2 3.32Å; T149-L289 WeakPolarHBondContact OG1-CD2 3.48Å; F287-L289 HydrophobicContact CE1-CB 4.32Å; F287-L289 HydrophobicContact CZ-CB 4.35Å; F287-L289 HydrophobicContact CZ-CD1 4.14Å; L289-S291 PolarHBondContact O-N 2.99Å; L289-F292 WeakPolarHBondContact O-CB 3.35Å; L289-F292 PolarHBondContact O-N 2.96Å; L289-N293 WeakPolarHBondContact O-CB 3.07Å; L289-N293 PolarHBondContact O-N 2.88Å
290S91.6Very high94.3Very high13 Ų1365.3 Ų65.39%0.09134%0.344CS..Hα-helixtrans-62.4-44.2-178.8-48.50000112Y73 L112 W288 N293 L294Y73-S290 PolarHBondContact OH-OG 2.98Å; L112-S290 WeakPolarHBondContact CD2-OG 3.39Å; W288-S290 VanDerWaalsContact C-N 3.29Å; W288-S290 VanDerWaalsContact CE2-CB 3.46Å; W288-S290 VanDerWaalsContact NE1-CB 3.29Å; W288-S290 PolarHBondContact NE1-OG 3.26Å; W288-S290 PolarHBondContact O-N 2.89Å; S290-N293 PolarHBondContact O-N 3.4Å; S290-L294 WeakPolarHBondContact O-CG 3.12Å; S290-L294 PolarHBondContact O-N 3.19Å
291S91.9Very high94.2Very high33 Ų3363.6 Ų63.623%0.23134%0.335CS..Hα-helixtrans-67.9-36.2175.4179.40000112.4W288 L289 L294 R295W288-S291 PolarHBondContact O-N 3.43Å; L289-S291 PolarHBondContact O-N 2.99Å; S291-L294 PolarHBondContact O-N 3.43Å; S291-R295 PolarHBondContact O-NH1 2.69Å; S291-R295 VanDerWaalsContact O-NH1 3.11Å; S291-R295 PolarHBondContact OG-NH1 2.79Å
292F94.1Very high94.1Very high31 Ų3160.1 Ų60.114%0.13632%0.315CS..Hα-helixtrans-59.5-49.6171.5179.2-92.1000111.2H152 N156 F287 W288 L289 L294 R295 Q296H152-F292 AromaticContact CD2-CE1 3.83Å; H152-F292 AromaticContact CE1-CE1 3.47Å; H152-F292 VanDerWaalsContact CE1-CE1 3.47Å; H152-F292 WeakPolarHBondContact CE1-CE1 3.38Å; H152-F292 AromaticContact CG-CE1 3.95Å; H152-F292 AromaticContact ND1-CE1 3.74Å; H152-F292 AromaticContact ND1-CZ 3.94Å; H152-F292 AromaticContact NE2-CE1 3.51Å; N156-F292 VanDerWaalsContact ND2-CZ 3.34Å; N156-F292 WeakPolarHBondContact ND2-CZ 3.49Å; F287-F292 HydrophobicContact CE2-CB 3.7Å; F287-F292 AromaticContact CE2-CD2 4Å; F287-F292 HydrophobicContact CE2-CD2 4Å; F287-F292 AromaticContact CE2-CG 3.86Å; F287-F292 HydrophobicContact CE2-CG 3.86Å; F287-F292 HydrophobicContact CZ-CB 4.26Å; F287-F292 HydrophobicContact CZ-CG 4.34Å; W288-F292 PolarHBondContact O-N 2.83Å; L289-F292 WeakPolarHBondContact O-CB 3.35Å; L289-F292 PolarHBondContact O-N 2.96Å; F292-L294 VanDerWaalsContact C-N 3.34Å; F292-L294 PolarHBondContact O-N 3.1Å; F292-R295 PolarHBondContact O-N 2.73Å; F292-Q296 HydrophobicContact CD1-CG 4Å; F292-Q296 HydrophobicContact CE1-CG 3.6Å; F292-Q296 HydrophobicContact CZ-CG 4Å; F292-Q296 WeakPolarHBondContact O-CG 3.5Å; F292-Q296 PolarHBondContact O-N 3.23Å
293N92.2Very high94.1Very high13 Ų1365.2 Ų65.27%0.0734%0.342CS..Hα-helixtrans-61.6-36.2-179.7-79.1-15.7000113.3L289 S290 R295 Q296L289-N293 WeakPolarHBondContact O-CB 3.07Å; L289-N293 PolarHBondContact O-N 2.88Å; S290-N293 PolarHBondContact O-N 3.4Å; N293-R295 PolarHBondContact O-N 2.84Å; N293-Q296 PolarHBondContact O-N 3.12Å; N293-Q296 VanDerWaalsContact O-N 3.12Å
294L89.5Confident94Very high126 Ų12663.4 Ų63.466%0.6633%0.329SS*.Hα-helixtrans-64.3-24.5175.4-73.1171.9000113.4L112 S290 S291 F292L112-L294 HydrophobicContact CD1-CD1 3.75Å; L112-L294 HydrophobicContact CD1-CD2 4.01Å; L112-L294 HydrophobicContact CD1-CG 3.8Å; S290-L294 WeakPolarHBondContact O-CG 3.12Å; S290-L294 PolarHBondContact O-N 3.19Å; S291-L294 PolarHBondContact O-N 3.43Å; F292-L294 VanDerWaalsContact C-N 3.34Å; F292-L294 PolarHBondContact O-N 3.1Å
295R91.7Very high94Very high163 Ų16360.7 Ų60.762%0.61532%0.315SS*.THydrogen-bonded Turntrans-91.8-2.7175.9-65-171.5-63.9-82.3-2.7113.4S291 F292 N293S291-R295 PolarHBondContact O-NH1 2.69Å; S291-R295 VanDerWaalsContact O-NH1 3.11Å; S291-R295 PolarHBondContact OG-NH1 2.79Å; F292-R295 PolarHBondContact O-N 2.73Å; N293-R295 PolarHBondContact O-N 2.84Å
296Q90.1Very high94Very high47 Ų4755 Ų5522%0.2230%0.295CS..SBendtrans-101.2149.6178.9-61.8-46-58.800111.1F292 N293 K300 R301F292-Q296 HydrophobicContact CD1-CG 4Å; F292-Q296 HydrophobicContact CE1-CG 3.6Å; F292-Q296 HydrophobicContact CZ-CG 4Å; F292-Q296 WeakPolarHBondContact O-CG 3.5Å; F292-Q296 PolarHBondContact O-N 3.23Å; N293-Q296 PolarHBondContact O-N 3.12Å; N293-Q296 VanDerWaalsContact O-N 3.12Å; Q296-K300 HydrophobicContact CB-CB 4.27Å; Q296-R301 HydrophobicContact CB-CG 4.18Å
297S91.5Very high94Very high47 Ų4755.5 Ų55.533%0.32928%0.28SS..  trans-66.2151.7167.162.20000110.7S299 K300 R301S297-S299 PolarHBondContact O-N 3.17Å; S297-S299 VanDerWaalsContact O-N 3.16Å; S297-S299 PolarHBondContact OG-OG 2.94Å; S297-K300 PolarHBondContact O-N 3.09Å; S297-K300 VanDerWaalsContact O-N 3.08Å; S297-K300 WeakPolarHBondContact OG-CG 3.43Å; S297-K300 PolarHBondContact OG-N 2.91Å; S297-R301 PolarHBondContact O-N 3.18Å
298P90Very high94.1Very high78 Ų7854.5 Ų54.551%0.50628%0.276SS..Hα-helixtrans-52.4-35.8171.6-28.435.6000113L110 K300 R301 Q302L110-P298 HydrophobicContact CD2-CB 4.41Å; L110-P298 HydrophobicContact CD2-CG 4.3Å; P298-K300 PolarHBondContact O-N 2.73Å; P298-R301 PolarHBondContact O-N 2.93Å; P298-Q302 WeakPolarHBondContact O-CB 3.31Å; P298-Q302 PolarHBondContact O-N 2.89Å
299S93.3Very high94.2Very high78 Ų7850.2 Ų50.255%0.54526%0.259SS..Hα-helixtrans-62-40.5176.956.60000113.8S297 R301 Q302 L303S297-S299 PolarHBondContact O-N 3.17Å; S297-S299 VanDerWaalsContact O-N 3.16Å; S297-S299 PolarHBondContact OG-OG 2.94Å; S299-R301 VanDerWaalsContact C-N 3.32Å; S299-Q302 WeakPolarHBondContact O-CB 3.43Å; S299-Q302 PolarHBondContact O-N 2.89Å; S299-L303 WeakPolarHBondContact O-CG 3.44Å; S299-L303 PolarHBondContact O-N 2.82Å
300K93.9Very high94.4Very high116 Ų11653 Ų5350%0.50427%0.271SS..Hα-helixtrans-67.9-35176.2-75.5-176.6177.9-176.40112Q296 S297 P298 L303 T304Q296-K300 HydrophobicContact CB-CB 4.27Å; S297-K300 PolarHBondContact O-N 3.09Å; S297-K300 VanDerWaalsContact O-N 3.08Å; S297-K300 WeakPolarHBondContact OG-CG 3.43Å; S297-K300 PolarHBondContact OG-N 2.91Å; P298-K300 PolarHBondContact O-N 2.73Å; K300-L303 PolarHBondContact O-N 2.69Å; K300-T304 PolarHBondContact O-N 2.86Å; K300-T304 PolarHBondContact O-OG1 3.48Å
301R94.4Very high94.7Very high30 Ų3053.5 Ų53.511%0.11327%0.271CS..Hα-helixtrans-67.9-40.4173.3-64.4-172.659.8-170.9-5.2111.4L110 L129 Q296 S297 P298 S299 L303 T304 V305L110-R301 HydrophobicContact CD1-CB 4.33Å; L110-R301 VanDerWaalsContact CD1-NH1 3.27Å; L110-R301 PolarHBondContact O-NH1 3.25Å; L110-R301 PolarHBondContact O-NH2 3.49Å; L129-R301 HydrophobicContact CD1-CB 3.91Å; L129-R301 HydrophobicContact CD2-CB 4.48Å; Q296-R301 HydrophobicContact CB-CG 4.18Å; S297-R301 PolarHBondContact O-N 3.18Å; P298-R301 PolarHBondContact O-N 2.93Å; S299-R301 VanDerWaalsContact C-N 3.32Å; R301-L303 VanDerWaalsContact C-N 3.33Å; R301-L303 PolarHBondContact O-N 3.01Å; R301-T304 WeakPolarHBondContact O-CB 3.46Å; R301-T304 PolarHBondContact O-N 2.73Å; R301-V305 WeakPolarHBondContact O-CG2 3.46Å; R301-V305 PolarHBondContact O-N 2.82Å
302Q96.2Very high95Very high32 Ų3252.6 Ų52.615%0.1526%0.263CS..Hα-helixtrans-59.7-41.7173.6-172.161.264.700111.8L129 K130 P298 S299 T304 V305 D306L129-Q302 HydrophobicContact CD2-CB 4.1Å; K130-Q302 PolarHBondContact O-NE2 3.26Å; P298-Q302 WeakPolarHBondContact O-CB 3.31Å; P298-Q302 PolarHBondContact O-N 2.89Å; S299-Q302 WeakPolarHBondContact O-CB 3.43Å; S299-Q302 PolarHBondContact O-N 2.89Å; Q302-T304 VanDerWaalsContact C-N 3.31Å; Q302-T304 PolarHBondContact O-N 2.96Å; Q302-V305 PolarHBondContact O-N 2.74Å; Q302-D306 PolarHBondContact NE2-OD1 2.98Å; Q302-D306 WeakPolarHBondContact O-CB 2.82Å; Q302-D306 PolarHBondContact O-N 3.27Å
303L96.7Very high95.2Very high117 Ų11753.4 Ų53.461%0.61327%0.271SS*.Hα-helixtrans-61.5-38.1175.5-71173.3000112.9S299 K300 R301 D306 Q307S299-L303 WeakPolarHBondContact O-CG 3.44Å; S299-L303 PolarHBondContact O-N 2.82Å; K300-L303 PolarHBondContact O-N 2.69Å; R301-L303 VanDerWaalsContact C-N 3.33Å; R301-L303 PolarHBondContact O-N 3.01Å; L303-D306 PolarHBondContact O-N 2.93Å; L303-Q307 WeakPolarHBondContact O-CB 3.4Å; L303-Q307 PolarHBondContact O-N 3.44Å
304T96.9Very high95.5Very high16 Ų1657.3 Ų57.310%0.09829%0.289CS..Hα-helixtrans-64-46.5175.8-61.90000110.9L151 K300 R301 Q302 Q307 L308L151-T304 HydrophobicContact CD2-CG2 4.07Å; K300-T304 PolarHBondContact O-N 2.86Å; K300-T304 PolarHBondContact O-OG1 3.48Å; R301-T304 WeakPolarHBondContact O-CB 3.46Å; R301-T304 PolarHBondContact O-N 2.73Å; Q302-T304 VanDerWaalsContact C-N 3.31Å; Q302-T304 PolarHBondContact O-N 2.96Å; T304-Q307 PolarHBondContact O-N 2.78Å; T304-L308 HydrophobicContact CG2-CD1 3.87Å; T304-L308 WeakPolarHBondContact O-CD1 3.41Å; T304-L308 VanDerWaalsContact O-CG 3.29Å; T304-L308 WeakPolarHBondContact O-CG 3.26Å; T304-L308 PolarHBondContact O-N 3.31Å
305V97.1Very high95.8Very high4 Ų457.4 Ų57.42%0.02429%0.291CS..Hα-helixtrans-64-43176.7173.20000111.5I108 L129 I131 L143 R301 Q302 L308 S309I108-V305 HydrophobicContact CD1-CG1 4.27Å; I108-V305 HydrophobicContact CD1-CG2 3.8Å; L129-V305 HydrophobicContact CD1-CG2 3.74Å; I131-V305 HydrophobicContact CG1-CG1 3.99Å; L143-V305 HydrophobicContact CD1-CG1 4.32Å; R301-V305 WeakPolarHBondContact O-CG2 3.46Å; R301-V305 PolarHBondContact O-N 2.82Å; Q302-V305 PolarHBondContact O-N 2.74Å; V305-L308 PolarHBondContact O-N 2.85Å; V305-S309 VanDerWaalsContact O-CB 3.26Å; V305-S309 WeakPolarHBondContact O-CB 3.14Å; V305-S309 PolarHBondContact O-N 2.86Å; V305-S309 PolarHBondContact O-OG 3.28Å
306D98Very high96.1Very high23 Ų2353.8 Ų53.812%0.12328%0.283CS..Hα-helixtrans-61.1-45.6178-73.9-7.6000110.7K132 Y133 Q302 L303 S309 K310K132-D306 IonicContact NZ-OD1 2.76Å; K132-D306 IonicContact NZ-OD2 3.94Å; K132-D306 PolarHBondContact NZ-OD2 2.88Å; Y133-D306 WeakPolarHBondContact CE2-O 3.43Å; Q302-D306 PolarHBondContact NE2-OD1 2.98Å; Q302-D306 WeakPolarHBondContact O-CB 2.82Å; Q302-D306 PolarHBondContact O-N 3.27Å; L303-D306 PolarHBondContact O-N 2.93Å; D306-S309 PolarHBondContact O-OG 3.42Å; D306-K310 VanDerWaalsContact O-CB 3.24Å; D306-K310 WeakPolarHBondContact O-CB 3.37Å; D306-K310 PolarHBondContact O-N 3.26Å
307Q98.2Very high96.5Very high74 Ų7451.6 Ų51.635%0.34627%0.273SS..Hα-helixtrans-63.7-46.5179-176.859.877.600112.4L303 T304 K310 W311L303-Q307 WeakPolarHBondContact O-CB 3.4Å; L303-Q307 PolarHBondContact O-N 3.44Å; T304-Q307 PolarHBondContact O-N 2.78Å; Q307-K310 PolarHBondContact O-N 2.99Å; Q307-W311 HydrophobicContact CG-CD2 4.3Å; Q307-W311 HydrophobicContact CG-CE3 4.38Å; Q307-W311 HydrophobicContact CG-CH2 3.98Å; Q307-W311 HydrophobicContact CG-CZ2 3.89Å; Q307-W311 HydrophobicContact CG-CZ3 4.22Å; Q307-W311 PolarHBondContact O-N 3.23Å; Q307-W311 VanDerWaalsContact O-N 3.09Å
308L98.3Very high96.7Very high0 Ų055.1 Ų55.10%028%0.282CS..Hα-helixtrans-68.1-44.5-179-69.1166.5000111.5L143 P147 S148 L151 I182 T304 V305 K310 W311 F312 I317L143-L308 HydrophobicContact CD2-CB 3.65Å; P147-L308 HydrophobicContact CB-CD1 3.97Å; P147-L308 HydrophobicContact CB-CD2 3.76Å; P147-L308 HydrophobicContact CB-CG 4.4Å; S148-L308 WeakPolarHBondContact OG-CD1 3.24Å; L151-L308 HydrophobicContact CB-CD2 4.5Å; L151-L308 HydrophobicContact CD2-CD2 4.4Å; L151-L308 HydrophobicContact CD2-CG 4.36Å; I182-L308 HydrophobicContact CD1-CD2 4.14Å; T304-L308 HydrophobicContact CG2-CD1 3.87Å; T304-L308 WeakPolarHBondContact O-CD1 3.41Å; T304-L308 VanDerWaalsContact O-CG 3.29Å; T304-L308 WeakPolarHBondContact O-CG 3.26Å; T304-L308 PolarHBondContact O-N 3.31Å; V305-L308 PolarHBondContact O-N 2.85Å; L308-K310 VanDerWaalsContact C-N 3.31Å; L308-K310 PolarHBondContact O-N 3.46Å; L308-W311 HydrophobicContact CD2-CE3 4.11Å; L308-W311 HydrophobicContact CD2-CZ3 4.24Å; L308-W311 PolarHBondContact O-N 2.92Å; L308-F312 VanDerWaalsContact O-CD2 3.32Å; L308-F312 WeakPolarHBondContact O-CD2 3.43Å; L308-F312 PolarHBondContact O-N 3.23Å; L308-I317 HydrophobicContact CD2-CD1 4.3Å
309S98.2Very high97Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-65.8-34177.657.70000112.4Y133 V305 D306 F312 C313Y133-S309 WeakPolarHBondContact CD2-OG 3.38Å; V305-S309 VanDerWaalsContact O-CB 3.26Å; V305-S309 WeakPolarHBondContact O-CB 3.14Å; V305-S309 PolarHBondContact O-N 2.86Å; V305-S309 PolarHBondContact O-OG 3.28Å; D306-S309 PolarHBondContact O-OG 3.42Å; S309-F312 PolarHBondContact O-N 3.29Å; S309-C313 VanDerWaalsContact O-CB 3.31Å; S309-C313 WeakPolarHBondContact O-CB 3.25Å; S309-C313 PolarHBondContact O-N 3.08Å
310K98.5Very high97Very high73 Ų7349.6 Ų49.632%0.31725%0.245SC..Hα-helixtrans-59.4-50.1169.2-175.4179.4175.3-178.80111.6Y133 D306 Q307 L308 F312 C313 E314Y133-K310 HydrophobicContact CD1-CB 4.36Å; Y133-K310 HydrophobicContact CD1-CG 4.47Å; Y133-K310 HydrophobicContact CD2-CB 3.92Å; Y133-K310 HydrophobicContact CE1-CB 4.14Å; Y133-K310 HydrophobicContact CE1-CD 4.45Å; Y133-K310 HydrophobicContact CE1-CG 4Å; Y133-K310 HydrophobicContact CE2-CB 3.67Å; Y133-K310 HydrophobicContact CE2-CG 4.33Å; Y133-K310 HydrophobicContact CG-CB 4.26Å; D306-K310 VanDerWaalsContact O-CB 3.24Å; D306-K310 WeakPolarHBondContact O-CB 3.37Å; D306-K310 PolarHBondContact O-N 3.26Å; Q307-K310 PolarHBondContact O-N 2.99Å; L308-K310 VanDerWaalsContact C-N 3.31Å; L308-K310 PolarHBondContact O-N 3.46Å; K310-F312 VanDerWaalsContact C-N 3.3Å; K310-F312 PolarHBondContact O-N 3.47Å; K310-C313 WeakPolarHBondContact O-CB 3.24Å; K310-C313 PolarHBondContact O-N 2.8Å; K310-C313 VanDerWaalsContact O-N 3.09Å; K310-E314 VanDerWaalsContact CE-CD 3.45Å; K310-E314 WeakPolarHBondContact CE-OE1 3.35Å; K310-E314 WeakPolarHBondContact CE-OE2 3.46Å; K310-E314 HydrophobicContact CG-CG 4.4Å; K310-E314 IonicContact NZ-OE1 3.82Å; K310-E314 WeakPolarHBondContact O-CG 3.23Å; K310-E314 PolarHBondContact O-N 3.16Å
311W98.5Very high97.1Very high23 Ų2345.3 Ų45.39%0.08723%0.229CC..Hα-helixtrans-63.4-33.7179.5-72.2-21.1000113.7L151 I182 I185 Q307 L308 D315 L316 I317L151-W311 HydrophobicContact CD1-CH2 3.89Å; L151-W311 HydrophobicContact CD1-CZ3 3.93Å; I182-W311 HydrophobicContact CB-CZ3 4.46Å; I182-W311 HydrophobicContact CD1-CZ3 4.25Å; I182-W311 HydrophobicContact CG1-CE3 4.32Å; I182-W311 HydrophobicContact CG1-CZ3 3.88Å; I182-W311 HydrophobicContact CG2-CH2 4.06Å; I182-W311 HydrophobicContact CG2-CZ3 3.89Å; I185-W311 HydrophobicContact CD1-CD2 3.93Å; I185-W311 HydrophobicContact CD1-CE3 4.21Å; I185-W311 HydrophobicContact CD1-CG 4.16Å; I185-W311 HydrophobicContact CG2-CZ2 3.86Å; Q307-W311 HydrophobicContact CG-CD2 4.3Å; Q307-W311 HydrophobicContact CG-CE3 4.38Å; Q307-W311 HydrophobicContact CG-CH2 3.98Å; Q307-W311 HydrophobicContact CG-CZ2 3.89Å; Q307-W311 HydrophobicContact CG-CZ3 4.22Å; Q307-W311 PolarHBondContact O-N 3.23Å; Q307-W311 VanDerWaalsContact O-N 3.09Å; L308-W311 HydrophobicContact CD2-CE3 4.11Å; L308-W311 HydrophobicContact CD2-CZ3 4.24Å; L308-W311 PolarHBondContact O-N 2.92Å; W311-D315 PolarHBondContact O-N 2.8Å; W311-L316 HydrophobicContact CB-CB 4.19Å; W311-L316 HydrophobicContact CG-CB 4.4Å; W311-L316 HydrophobicContact CG-CD1 4.48Å; W311-L316 PolarHBondContact O-N 2.84Å; W311-I317 HydrophobicContact CB-CD1 3.96Å; W311-I317 HydrophobicContact CB-CG1 3.83Å; W311-I317 HydrophobicContact CB-CG2 4.26Å; W311-I317 HydrophobicContact CE3-CD1 4.46Å; W311-I317 HydrophobicContact CE3-CG2 4.48Å; W311-I317 PolarHBondContact O-N 2.98Å
312F98.2Very high97.1Very high13 Ų1346.8 Ų46.86%0.05724%0.236CC..Hα-helixtrans-67.1-42.9170.2-86.8-69.9000112.1I135 C139 L143 P147 Y178 L308 S309 K310 E314 D315 I317 P319I135-F312 HydrophobicContact CG2-CB 3.7Å; C139-F312 HydrophobicContact CB-CD1 4.08Å; C139-F312 HydrophobicContact CB-CE1 4.16Å; C139-F312 HydrophobicContact CB-CG 4.38Å; L143-F312 HydrophobicContact CD2-CD2 3.71Å; L143-F312 HydrophobicContact CD2-CE2 3.61Å; P147-F312 HydrophobicContact CG-CE2 4.35Å; Y178-F312 HydrophobicContact CE1-CE1 4.36Å; Y178-F312 HydrophobicContact CE1-CE2 4.45Å; Y178-F312 AromaticContact CE1-CZ 3.64Å; Y178-F312 HydrophobicContact CE1-CZ 3.64Å; Y178-F312 AromaticContact CZ-CZ 4Å; L308-F312 VanDerWaalsContact O-CD2 3.32Å; L308-F312 WeakPolarHBondContact O-CD2 3.43Å; L308-F312 PolarHBondContact O-N 3.23Å; S309-F312 PolarHBondContact O-N 3.29Å; K310-F312 VanDerWaalsContact C-N 3.3Å; K310-F312 PolarHBondContact O-N 3.47Å; F312-E314 VanDerWaalsContact C-N 3.27Å; F312-E314 PolarHBondContact O-N 3.34Å; F312-D315 PolarHBondContact O-N 3.32Å; F312-I317 HydrophobicContact CB-CG1 4.49Å; F312-I317 HydrophobicContact CD1-CD1 4.47Å; F312-I317 HydrophobicContact CD1-CG1 3.9Å; F312-I317 WeakPolarHBondContact CD1-O 3.48Å; F312-I317 HydrophobicContact CD2-CD1 3.58Å; F312-I317 HydrophobicContact CD2-CG1 3.85Å; F312-I317 HydrophobicContact CE1-CD1 4.42Å; F312-I317 HydrophobicContact CE1-CG1 4.06Å; F312-I317 HydrophobicContact CE2-CD1 3.5Å; F312-I317 VanDerWaalsContact CE2-CD1 3.5Å; F312-I317 HydrophobicContact CE2-CG1 3.99Å; F312-I317 HydrophobicContact CG-CD1 4.09Å; F312-I317 HydrophobicContact CG-CG1 3.8Å; F312-I317 HydrophobicContact CZ-CD1 3.97Å; F312-I317 HydrophobicContact CZ-CG1 4.11Å; F312-P319 HydrophobicContact CE1-CB 4.4Å
313C98Very high97.1Very high48 Ų4848.2 Ų48.232%0.32424%0.243SC..Hα-helixtrans-65-31.3179.3-175.80000112.7Y133 I135 S309 K310 D315Y133-C313 HydrophobicContact CD1-CB 4.5Å; I135-C313 HydrophobicContact CG2-CB 4.05Å; S309-C313 VanDerWaalsContact O-CB 3.31Å; S309-C313 WeakPolarHBondContact O-CB 3.25Å; S309-C313 PolarHBondContact O-N 3.08Å; K310-C313 WeakPolarHBondContact O-CB 3.24Å; K310-C313 PolarHBondContact O-N 2.8Å; K310-C313 VanDerWaalsContact O-N 3.09Å; C313-D315 VanDerWaalsContact C-N 3.34Å
314E97.8Very high97.1Very high95 Ų9547.6 Ų47.644%0.44424%0.237SC..THydrogen-bonded Turntrans-91.98.6177.8-66.1175.416700112.8K310 F312 L316K310-E314 VanDerWaalsContact CE-CD 3.45Å; K310-E314 WeakPolarHBondContact CE-OE1 3.35Å; K310-E314 WeakPolarHBondContact CE-OE2 3.46Å; K310-E314 HydrophobicContact CG-CG 4.4Å; K310-E314 IonicContact NZ-OE1 3.82Å; K310-E314 WeakPolarHBondContact O-CG 3.23Å; K310-E314 PolarHBondContact O-N 3.16Å; F312-E314 VanDerWaalsContact C-N 3.27Å; F312-E314 PolarHBondContact O-N 3.34Å; E314-L316 HydrophobicContact CB-CD1 4.31Å; E314-L316 HydrophobicContact CB-CG 4.04Å; E314-L316 PolarHBondContact O-N 2.86Å
315D96.7Very high97.1Very high129 Ų12946.9 Ų46.969%0.6923%0.232SC*.THydrogen-bonded Turntrans54.821.5-177.1-66.9-52.3000114.8W311 F312 C313W311-D315 PolarHBondContact O-N 2.8Å; F312-D315 PolarHBondContact O-N 3.32Å; C313-D315 VanDerWaalsContact C-N 3.34Å
316L98Very high97.1Very high87 Ų8748.8 Ų48.846%0.45525%0.245SC..SBendtrans-74.8-29.7175.9-65.5-178.8000112I185 W311 E314I185-L316 HydrophobicContact CD1-CB 3.84Å; I185-L316 HydrophobicContact CG1-CB 4.42Å; W311-L316 HydrophobicContact CB-CB 4.19Å; W311-L316 HydrophobicContact CG-CB 4.4Å; W311-L316 HydrophobicContact CG-CD1 4.48Å; W311-L316 PolarHBondContact O-N 2.84Å; E314-L316 HydrophobicContact CB-CD1 4.31Å; E314-L316 HydrophobicContact CB-CG 4.04Å; E314-L316 PolarHBondContact O-N 2.86Å
317I98Very high97.1Very high1 Ų148 Ų481%0.00524%0.24CC..SBendtrans-125.6145.8167.766.9-179.3000110.5Q181 I182 I185 L308 W311 F312Q181-I317 HydrophobicContact CB-CB 4.42Å; Q181-I317 HydrophobicContact CB-CG2 3.9Å; I182-I317 HydrophobicContact CG1-CG2 4.44Å; I185-I317 HydrophobicContact CD1-CG2 3.46Å; I185-I317 VanDerWaalsContact CD1-CG2 3.46Å; L308-I317 HydrophobicContact CD2-CD1 4.3Å; W311-I317 HydrophobicContact CB-CD1 3.96Å; W311-I317 HydrophobicContact CB-CG1 3.83Å; W311-I317 HydrophobicContact CB-CG2 4.26Å; W311-I317 HydrophobicContact CE3-CD1 4.46Å; W311-I317 HydrophobicContact CE3-CG2 4.48Å; W311-I317 PolarHBondContact O-N 2.98Å; F312-I317 HydrophobicContact CB-CG1 4.49Å; F312-I317 HydrophobicContact CD1-CD1 4.47Å; F312-I317 HydrophobicContact CD1-CG1 3.9Å; F312-I317 WeakPolarHBondContact CD1-O 3.48Å; F312-I317 HydrophobicContact CD2-CD1 3.58Å; F312-I317 HydrophobicContact CD2-CG1 3.85Å; F312-I317 HydrophobicContact CE1-CD1 4.42Å; F312-I317 HydrophobicContact CE1-CG1 4.06Å; F312-I317 HydrophobicContact CE2-CD1 3.5Å; F312-I317 VanDerWaalsContact CE2-CD1 3.5Å; F312-I317 HydrophobicContact CE2-CG1 3.99Å; F312-I317 HydrophobicContact CG-CD1 4.09Å; F312-I317 HydrophobicContact CG-CG1 3.8Å; F312-I317 HydrophobicContact CZ-CD1 3.97Å; F312-I317 HydrophobicContact CZ-CG1 4.11Å
318K96.1Very high97Very high121 Ų12150.4 Ų50.453%0.52625%0.249SC..  trans-114.5152.9177.9-65.2179.5-176.3-179.40109.9Y178 Q181 Y213Y178-K318 WeakPolarHBondContact CE1-O 3.43Å; Q181-K318 PolarHBondContact NE2-O 2.97Å; Q181-K318 PolarHBondContact OE1-O 2.87Å; Y213-K318 HydrophobicContact CE1-CB 4Å
319P95Very high96.9Very high34 Ų3454.7 Ų54.722%0.22127%0.269CS..PPolyproline II helixtrans-63143.6177.925.2-33.3000110.8Y178 Y213 F312 F322Y178-P319 WeakPolarHBondContact OH-CA 3.46Å; Y213-P319 PolarHBondContact OH-O 2.76Å; F312-P319 HydrophobicContact CE1-CB 4.4Å; P319-F322 HydrophobicContact CB-CD1 3.85Å; P319-F322 HydrophobicContact CB-CE1 3.7Å; P319-F322 HydrophobicContact CG-CD1 4.15Å; P319-F322 HydrophobicContact CG-CE1 3.55Å
320S94.9Very high96.9Very high6 Ų655 Ų554%0.04227%0.271CS..PPolyproline II helixtrans-58.9151.3164.662.50000109.7Y178 F322Y178-S320 PolarHBondContact OH-N 3.03Å; S320-F322 WeakPolarHBondContact O-CD1 3.43Å; S320-F322 PolarHBondContact O-N 3.37Å
321P94.9Very high96.8Very high26 Ų2658.4 Ų58.417%0.16928%0.281CS..SBendtrans-50.3128.3-176.9-26.735.1000111.9L209 Y213 I347 K349 K350L209-P321 HydrophobicContact CD2-CG 4.08Å; Y213-P321 WeakPolarHBondContact OH-CD 3.24Å; P321-I347 HydrophobicContact CB-CG2 4.19Å; P321-I347 HydrophobicContact CG-CG2 3.97Å; P321-K349 HydrophobicContact CB-CG 4.02Å; P321-K349 CarbonylContact O-C 3.53Å; P321-K349 VanDerWaalsContact O-CA 3.31Å; P321-K349 WeakPolarHBondContact O-CA 3.5Å; P321-K350 PolarHBondContact O-N 2.84Å
322F95.1Very high96.7Very high60 Ų6062 Ų6226%0.26330%0.298SS..EExtended strand (participates in β ladder)trans-141.6163.1-178.172.6-84.8000111.3P319 S320 E324 K350 V352P319-F322 HydrophobicContact CB-CD1 3.85Å; P319-F322 HydrophobicContact CB-CE1 3.7Å; P319-F322 HydrophobicContact CG-CD1 4.15Å; P319-F322 HydrophobicContact CG-CE1 3.55Å; S320-F322 WeakPolarHBondContact O-CD1 3.43Å; S320-F322 PolarHBondContact O-N 3.37Å; F322-E324 HydrophobicContact CD2-CG 4.01Å; F322-E324 HydrophobicContact CE2-CG 3.62Å; F322-K350 CarbonylContact C-O 3.51Å; F322-K350 WeakPolarHBondContact CA-O 3.23Å; F322-K350 HydrophobicContact CB-CB 4.19Å; F322-K350 WeakPolarHBondContact CB-O 3.25Å; F322-V352 HydrophobicContact CB-CG2 3.91Å; F322-V352 HydrophobicContact CD2-CB 4.43Å; F322-V352 HydrophobicContact CD2-CG2 3.53Å; F322-V352 HydrophobicContact CE2-CG2 4.38Å; F322-V352 HydrophobicContact CG-CG2 4Å
323E95.5Very high96.7Very high62 Ų6261.3 Ų61.329%0.2930%0.295SS..EExtended strand (participates in β ladder)trans-130.2127.6172.7-173.3170.1152.300108.3I325 K332 M336 K349 K350 V352E323-I325 HydrophobicContact CG-CG1 4.14Å; E323-K332 IonicContact OE1-NZ 3.61Å; E323-M336 HydrophobicContact CB-CE 4.49Å; E323-M336 HydrophobicContact CG-CE 4.5Å; E323-M336 VanDerWaalsContact OE2-CE 3.24Å; E323-M336 WeakPolarHBondContact OE2-CE 3.31Å; E323-K349 HydrophobicContact CB-CB 4.44Å; E323-K349 HydrophobicContact CB-CD 4.39Å; E323-K350 PolarHBondContact N-O 2.84Å; E323-V352 PolarHBondContact O-N 3.09Å
324E96.7Very high96.6Very high105 Ų10559.1 Ų59.149%0.49128%0.28SS..EExtended strand (participates in β ladder)trans-81.7126.3173.5-63.6-173.9171.900108.9S138 F322 V352 I354S138-E324 WeakPolarHBondContact CB-OE1 3.3Å; S138-E324 PolarHBondContact OG-OE1 3.12Å; F322-E324 HydrophobicContact CD2-CG 4.01Å; F322-E324 HydrophobicContact CE2-CG 3.62Å; E324-V352 WeakPolarHBondContact CA-O 3.5Å; E324-I354 HydrophobicContact CB-CD1 4.19Å; E324-I354 HydrophobicContact CB-CG1 3.76Å; E324-I354 HydrophobicContact CG-CD1 4.04Å; E324-I354 HydrophobicContact CG-CG1 4.18Å
325I97.2Very high96.4Very high1 Ų160.5 Ų60.51%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-127.9128.2-177.3-58.5173.7000107.3E323 F327 E329 A333 M336 V352 L353 I354E323-I325 HydrophobicContact CG-CG1 4.14Å; I325-F327 PolarHBondContact O-N 3.45Å; I325-E329 HydrophobicContact CG2-CB 3.67Å; I325-A333 HydrophobicContact CB-CB 4.15Å; I325-A333 HydrophobicContact CD1-CB 3.65Å; I325-A333 HydrophobicContact CG1-CB 4.49Å; I325-A333 HydrophobicContact CG2-CB 3.99Å; I325-M336 HydrophobicContact CD1-CE 4.03Å; I325-M336 HydrophobicContact CD1-SD 3.65Å; I325-V352 PolarHBondContact N-O 3.3Å; I325-L353 CarbonylContact O-C 3.59Å; I325-L353 WeakPolarHBondContact O-CA 3.16Å; I325-I354 PolarHBondContact O-N 3.29Å
326P97.6Very high96.2Very high43 Ų4357.5 Ų57.528%0.27927%0.268SS..EExtended strand (participates in β ladder)trans-53.9138.9175.8-25.934.6000111.1K328 E329P326-K328 PolarHBondContact O-N 3.11Å; P326-E329 WeakPolarHBondContact O-CA 3.38Å; P326-E329 WeakPolarHBondContact O-CB 3.44Å; P326-E329 PolarHBondContact O-N 3.49Å
327F97.4Very high96Very high8 Ų854.2 Ų54.24%0.03525%0.253CS..G310 helixtrans-55.3-31.4-178.6179-118.9000113.1E23 I25 F39 W117 T119 I325 E329 W330 L353 I354 M355E23-F327 HydrophobicContact CB-CE1 3.88Å; I25-F327 HydrophobicContact CD1-CE2 4.11Å; I25-F327 HydrophobicContact CD1-CZ 3.84Å; I25-F327 HydrophobicContact CG1-CE2 3.68Å; I25-F327 HydrophobicContact CG1-CZ 3.78Å; F39-F327 HydrophobicContact CE2-CE1 4.27Å; W117-F327 HydrophobicContact CB-CE2 4.44Å; T119-F327 HydrophobicContact CG2-CD1 4.1Å; T119-F327 HydrophobicContact CG2-CE1 4.08Å; I325-F327 PolarHBondContact O-N 3.45Å; F327-E329 PolarHBondContact O-N 2.84Å; F327-W330 VanDerWaalsContact O-CB 3.3Å; F327-W330 WeakPolarHBondContact O-CB 3.24Å; F327-W330 PolarHBondContact O-N 3.38Å; F327-W330 VanDerWaalsContact O-N 3.09Å; F327-L353 HydrophobicContact CD2-CB 4.31Å; F327-L353 HydrophobicContact CD2-CD1 4.15Å; F327-L353 HydrophobicContact CE2-CD1 4.4Å; F327-I354 VanDerWaalsContact CB-O 3.29Å; F327-I354 WeakPolarHBondContact CB-O 3.39Å; F327-I354 PolarHBondContact N-O 3.29Å; F327-M355 HydrophobicContact CB-SD 3.65Å; F327-M355 HydrophobicContact CD1-SD 3.87Å; F327-M355 HydrophobicContact CD2-CE 3.57Å; F327-M355 HydrophobicContact CD2-SD 3.35Å; F327-M355 WeakPolarHBondContact CD2-SD 3.38Å; F327-M355 HydrophobicContact CE1-SD 4.33Å; F327-M355 HydrophobicContact CE2-CE 3.76Å; F327-M355 HydrophobicContact CE2-SD 3.86Å; F327-M355 HydrophobicContact CG-CE 4.22Å; F327-M355 HydrophobicContact CG-SD 3.34Å; F327-M355 WeakPolarHBondContact CG-SD 3.37Å; F327-M355 HydrophobicContact CZ-SD 4.32Å
328K96.4Very high95.6Very high123 Ų12356.2 Ų56.254%0.53526%0.264SS..G310 helixtrans-62.2-26.7174.8-63.3-59-168.1-178.90113.4E23 P326 W330E23-K328 IonicContact OE1-NZ 2.77Å; E23-K328 PolarHBondContact OE1-NZ 2.87Å; E23-K328 WeakPolarHBondContact OE2-CE 3.41Å; E23-K328 IonicContact OE2-NZ 2.89Å; E23-K328 PolarHBondContact OE2-NZ 2.79Å; P326-K328 PolarHBondContact O-N 3.11Å; K328-W330 VanDerWaalsContact C-N 3.31Å; K328-W330 PolarHBondContact O-N 3.17Å
329E97.2Very high94.8Very high90 Ų9054.6 Ų54.642%0.42126%0.256SS..G310 helixtrans-92.523.2175.7-67.6-176-13700112.7I325 P326 F327 R331 K332 A333I325-E329 HydrophobicContact CG2-CB 3.67Å; P326-E329 WeakPolarHBondContact O-CA 3.38Å; P326-E329 WeakPolarHBondContact O-CB 3.44Å; P326-E329 PolarHBondContact O-N 3.49Å; F327-E329 PolarHBondContact O-N 2.84Å; E329-R331 PolarHBondContact O-N 3.07Å; E329-K332 HydrophobicContact CB-CB 4.42Å; E329-K332 WeakPolarHBondContact O-CB 3.22Å; E329-K332 PolarHBondContact O-N 2.68Å; E329-K332 WeakPolarHBondContact OE2-CD 3.42Å; E329-K332 IonicContact OE2-NZ 3.79Å; E329-A333 PolarHBondContact O-N 2.9Å
330W97.1Very high93.9Very high7 Ų755.7 Ų55.73%0.02727%0.265CS..Hα-helixtrans-52.6-29.4-17768-89.1000114.5I25 L37 F327 K328 A333 L334 L353I25-W330 HydrophobicContact CD1-CB 4.27Å; I25-W330 VanDerWaalsContact CD1-CD1 3.41Å; I25-W330 HydrophobicContact CD1-CD2 3.64Å; I25-W330 HydrophobicContact CD1-CE3 4.44Å; I25-W330 HydrophobicContact CD1-CG 3.52Å; I25-W330 HydrophobicContact CD1-CZ2 4.29Å; I25-W330 HydrophobicContact CG1-CB 4.27Å; I25-W330 HydrophobicContact CG1-CD2 4.03Å; I25-W330 HydrophobicContact CG1-CE3 4.45Å; I25-W330 HydrophobicContact CG1-CG 3.95Å; I25-W330 HydrophobicContact CG2-CD2 4.24Å; I25-W330 HydrophobicContact CG2-CE3 3.97Å; I25-W330 HydrophobicContact CG2-CH2 4.25Å; I25-W330 HydrophobicContact CG2-CZ2 4.5Å; I25-W330 HydrophobicContact CG2-CZ3 3.99Å; L37-W330 HydrophobicContact CB-CH2 3.68Å; L37-W330 HydrophobicContact CB-CZ3 3.65Å; L37-W330 HydrophobicContact CD1-CZ3 3.94Å; L37-W330 HydrophobicContact CG-CZ3 4.48Å; F327-W330 VanDerWaalsContact O-CB 3.3Å; F327-W330 WeakPolarHBondContact O-CB 3.24Å; F327-W330 PolarHBondContact O-N 3.38Å; F327-W330 VanDerWaalsContact O-N 3.09Å; K328-W330 VanDerWaalsContact C-N 3.31Å; K328-W330 PolarHBondContact O-N 3.17Å; W330-A333 WeakPolarHBondContact O-CB 3.29Å; W330-A333 PolarHBondContact O-N 2.69Å; W330-L334 HydrophobicContact CE3-CD2 4.45Å; W330-L334 HydrophobicContact CZ3-CD2 4Å; W330-L334 VanDerWaalsContact O-CB 3.28Å; W330-L334 WeakPolarHBondContact O-CB 3.4Å; W330-L334 PolarHBondContact O-N 3.15Å; W330-L353 HydrophobicContact CB-CD2 4.03Å
331R97.5Very high92.9Very high144 Ų14459.2 Ų59.254%0.54328%0.284SS..Hα-helixtrans-65.2-41.1175.5-72.9-168.6177.481.3-2.6112.5E329 L334 H335E329-R331 PolarHBondContact O-N 3.07Å; R331-L334 PolarHBondContact O-N 2.92Å; R331-H335 WeakPolarHBondContact O-CB 3.16Å; R331-H335 PolarHBondContact O-N 3.29Å
332K96.3Very high92Very high98 Ų9861.4 Ų61.443%0.42630%0.299SS..Hα-helixtrans-62.6-47.8173.2178.7-168.1172.8-166.50109.7E323 E329 L334 H335 M336E323-K332 IonicContact OE1-NZ 3.61Å; E329-K332 HydrophobicContact CB-CB 4.42Å; E329-K332 WeakPolarHBondContact O-CB 3.22Å; E329-K332 PolarHBondContact O-N 2.68Å; E329-K332 WeakPolarHBondContact OE2-CD 3.42Å; E329-K332 IonicContact OE2-NZ 3.79Å; K332-L334 VanDerWaalsContact C-N 3.3Å; K332-L334 PolarHBondContact O-N 2.77Å; K332-H335 PolarHBondContact O-N 3.14Å; K332-M336 HydrophobicContact CD-SD 4.48Å; K332-M336 HydrophobicContact CG-SD 3.9Å; K332-M336 VanDerWaalsContact O-CG 3.3Å; K332-M336 WeakPolarHBondContact O-CG 3.37Å; K332-M336 PolarHBondContact O-N 2.94Å
333A96.6Very high91Very high0 Ų063.1 Ų63.10%031%0.314CS..Hα-helixtrans-58.4-41.617800000112.7I61 I325 E329 W330 S337 S351 L353I61-A333 HydrophobicContact CD1-CB 3.68Å; I325-A333 HydrophobicContact CB-CB 4.15Å; I325-A333 HydrophobicContact CD1-CB 3.65Å; I325-A333 HydrophobicContact CG1-CB 4.49Å; I325-A333 HydrophobicContact CG2-CB 3.99Å; E329-A333 PolarHBondContact O-N 2.9Å; W330-A333 WeakPolarHBondContact O-CB 3.29Å; W330-A333 PolarHBondContact O-N 2.69Å; A333-S337 WeakPolarHBondContact O-CB 3.1Å; A333-S337 PolarHBondContact O-N 3.03Å; A333-S337 PolarHBondContact O-OG 2.8Å; A333-S351 PolarHBondContact O-OG 3.4Å; A333-L353 HydrophobicContact CB-CD2 3.52Å
334L96.7Very high90.1Very high2 Ų261.6 Ų61.61%0.0131%0.31CS..Hα-helixtrans-63.2-52.9176177.967.2000111.1P33 E34 L37 I66 W330 R331 K332 M336 S337 L338P33-L334 HydrophobicContact CB-CD1 3.9Å; P33-L334 HydrophobicContact CB-CD2 4.03Å; P33-L334 HydrophobicContact CB-CG 4.46Å; E34-L334 HydrophobicContact CG-CD2 4Å; L37-L334 HydrophobicContact CD1-CD1 4.23Å; L37-L334 HydrophobicContact CD1-CD2 3.72Å; I66-L334 HydrophobicContact CD1-CD1 3.54Å; W330-L334 HydrophobicContact CE3-CD2 4.45Å; W330-L334 HydrophobicContact CZ3-CD2 4Å; W330-L334 VanDerWaalsContact O-CB 3.28Å; W330-L334 WeakPolarHBondContact O-CB 3.4Å; W330-L334 PolarHBondContact O-N 3.15Å; R331-L334 PolarHBondContact O-N 2.92Å; K332-L334 VanDerWaalsContact C-N 3.3Å; K332-L334 PolarHBondContact O-N 2.77Å; L334-M336 VanDerWaalsContact C-N 3.29Å; L334-M336 PolarHBondContact O-N 3.11Å; L334-S337 WeakPolarHBondContact O-CA 3.23Å; L334-S337 WeakPolarHBondContact O-CB 3.16Å; L334-S337 PolarHBondContact O-N 3.13Å; L334-L338 PolarHBondContact O-N 3.19Å
335H94.5Very high89.3Confident123 Ų12362 Ų6257%0.56932%0.32SS*.Hα-helixtrans-54.7-45.2179.9-174.373.3000111.8E34 R331 K332 S337 L338E34-H335 IonicContact OE1-CG 3.09Å; E34-H335 IonicContact OE1-ND1 2.74Å; E34-H335 PolarHBondContact OE1-ND1 3.09Å; R331-H335 WeakPolarHBondContact O-CB 3.16Å; R331-H335 PolarHBondContact O-N 3.29Å; K332-H335 PolarHBondContact O-N 3.14Å; H335-S337 PolarHBondContact O-N 2.88Å; H335-L338 PolarHBondContact O-N 3.26Å
336M92Very high88.3Confident66 Ų6665.3 Ų65.333%0.32534%0.343SS..Hα-helixtrans-63.6-25.4175.7-68.5167.96500113.7E323 I325 K332 L334E323-M336 HydrophobicContact CB-CE 4.49Å; E323-M336 HydrophobicContact CG-CE 4.5Å; E323-M336 VanDerWaalsContact OE2-CE 3.24Å; E323-M336 WeakPolarHBondContact OE2-CE 3.31Å; I325-M336 HydrophobicContact CD1-CE 4.03Å; I325-M336 HydrophobicContact CD1-SD 3.65Å; K332-M336 HydrophobicContact CD-SD 4.48Å; K332-M336 HydrophobicContact CG-SD 3.9Å; K332-M336 VanDerWaalsContact O-CG 3.3Å; K332-M336 WeakPolarHBondContact O-CG 3.37Å; K332-M336 PolarHBondContact O-N 2.94Å; L334-M336 VanDerWaalsContact C-N 3.29Å; L334-M336 PolarHBondContact O-N 3.11Å
337S92.9Very high87.6Confident19 Ų1965.1 Ų65.113%0.13334%0.339CS..Hα-helixtrans-89.6-12.8-177.1-58.90000113.8I61 A333 L334 H335 F339 S351I61-S337 WeakPolarHBondContact CB-OG 3.44Å; I61-S337 WeakPolarHBondContact CG2-OG 3.4Å; A333-S337 WeakPolarHBondContact O-CB 3.1Å; A333-S337 PolarHBondContact O-N 3.03Å; A333-S337 PolarHBondContact O-OG 2.8Å; L334-S337 WeakPolarHBondContact O-CA 3.23Å; L334-S337 WeakPolarHBondContact O-CB 3.16Å; L334-S337 PolarHBondContact O-N 3.13Å; H335-S337 PolarHBondContact O-N 2.88Å; S337-F339 PolarHBondContact O-N 2.99Å; S337-S351 WeakPolarHBondContact OG-CB 3.46Å; S337-S351 PolarHBondContact OG-OG 2.86Å
338L90.1Very high86.9Confident43 Ų4370.1 Ų70.123%0.22536%0.358CS..  trans-65.7131178.1-65.7178.6000110.7E34 I66 L334 H335 R348E34-L338 HydrophobicContact CG-CD1 3.96Å; E34-L338 WeakPolarHBondContact OE1-CD1 3.35Å; I66-L338 HydrophobicContact CD1-CD2 4.14Å; I66-L338 HydrophobicContact CG1-CD2 4.5Å; I66-L338 HydrophobicContact CG2-CD2 4.12Å; L334-L338 PolarHBondContact O-N 3.19Å; H335-L338 PolarHBondContact O-N 3.26Å; L338-R348 PolarHBondContact O-NH1 3.4Å; L338-R348 PolarHBondContact O-NH2 2.93Å
339F78.9Confident86.7Confident86 Ų8669.9 Ų69.938%0.37736%0.357SS..  trans-85.5137178.6176.9-96.7000110.9M265 S337 D341M265-F339 HydrophobicContact CB-CZ 4.44Å; M265-F339 HydrophobicContact CE-CB 4.13Å; M265-F339 HydrophobicContact CE-CD1 4.14Å; M265-F339 HydrophobicContact CE-CD2 3.63Å; M265-F339 HydrophobicContact CE-CE2 4.05Å; M265-F339 HydrophobicContact CE-CG 3.68Å; M265-F339 HydrophobicContact CE-CZ 4.47Å; M265-F339 VanDerWaalsContact O-CE1 3.23Å; M265-F339 WeakPolarHBondContact O-CE1 3.35Å; S337-F339 PolarHBondContact O-N 2.99Å; F339-D341 HydrophobicContact CE1-CB 4.04Å; F339-D341 HydrophobicContact CZ-CB 4.3Å
340S77.4Confident86.5Confident57 Ų5767.6 Ų67.640%0.39935%0.346SS..  trans-126.9140.7166.462.80000108.4S342 R348S340-S342 PolarHBondContact O-N 3.42Å; S340-S342 PolarHBondContact OG-OG 3.4Å; S340-R348 PolarHBondContact OG-NH2 3.48Å
341D72.4Confident86.4Confident81 Ų8167.3 Ų67.343%0.43334%0.344SS..  trans-80.69.8178.2-159.230.5000112.9R195 F339R195-D341 IonicContact CZ-OD1 2.91Å; R195-D341 IonicContact NH1-OD1 3.47Å; R195-D341 PolarHBondContact NH1-OD1 3.17Å; R195-D341 IonicContact NH2-OD1 3.67Å; R195-D341 PolarHBondContact NH2-OD1 3.34Å; F339-D341 HydrophobicContact CE1-CB 4.04Å; F339-D341 HydrophobicContact CZ-CB 4.3Å
342S77Confident86.4Confident71 Ų7160.4 Ų60.450%0.49732%0.318SS..SBendtrans-63.2159.3173.757.40000111.6S340 P344S340-S342 PolarHBondContact O-N 3.42Å; S340-S342 PolarHBondContact OG-OG 3.4Å; S342-P344 VanDerWaalsContact O-CD 3.27Å; S342-P344 WeakPolarHBondContact O-CD 3.18Å; S342-P344 VanDerWaalsContact O-N 3.12Å
343V74.4Confident86.4Confident96 Ų9655.8 Ų55.858%0.58230%0.298SS*.PPolyproline II helixtrans-53.6120.4172.5179.70000108.7T345V343-T345 PolarHBondContact O-N 2.87Å
344P75.5Confident86.5Confident31 Ų3157.8 Ų57.820%0.20131%0.308CS..PPolyproline II helixtrans-64.6129.5176.7-19.932.3000109.6R197 S342R197-P344 WeakPolarHBondContact CD-O 3.45Å; S342-P344 VanDerWaalsContact O-CD 3.27Å; S342-P344 WeakPolarHBondContact O-CD 3.18Å; S342-P344 VanDerWaalsContact O-N 3.12Å
345T79.3Confident86.3Confident114 Ų11458.1 Ų58.170%0.69931%0.31SS*.  trans-84.1-28.1178.250.40000112.3V343V343-T345 PolarHBondContact O-N 2.87Å
346S77.5Confident85.6Confident70 Ų7061.2 Ų61.249%0.4933%0.325SS..SBendtrans-149.6175.9-176.964.30000112.5R348S346-R348 PolarHBondContact O-N 3.1Å
347I81.9Confident85.3Confident38 Ų3861 Ų6120%0.19533%0.325CS..PPolyproline II helixtrans-64.6116.9171.6-65.1151.1000108.9E205 L209 P321E205-I347 HydrophobicContact CG-CD1 4.09Å; L209-I347 HydrophobicContact CB-CD1 4.28Å; L209-I347 HydrophobicContact CD2-CB 4.33Å; L209-I347 HydrophobicContact CD2-CD1 3.73Å; L209-I347 HydrophobicContact CD2-CG1 3.81Å; L209-I347 HydrophobicContact CD2-CG2 3.53Å; P321-I347 HydrophobicContact CB-CG2 4.19Å; P321-I347 HydrophobicContact CG-CG2 3.97Å
348R84Confident84.8Confident113 Ų11363.2 Ų63.243%0.42634%0.335SS..PPolyproline II helixtrans-69.7133.1174.1-77.9-163.8-178.8-130.35.8110.8L338 S340 S346L338-R348 PolarHBondContact O-NH1 3.4Å; L338-R348 PolarHBondContact O-NH2 2.93Å; S340-R348 PolarHBondContact OG-NH2 3.48Å; S346-R348 PolarHBondContact O-N 3.1Å
349K91.5Very high84.6Confident118 Ų11864.3 Ų64.351%0.51334%0.341SS..PPolyproline II helixtrans-100.9143.8169.8-64.1178.8-176.3177.50109.9P321 E323P321-K349 HydrophobicContact CB-CG 4.02Å; P321-K349 CarbonylContact O-C 3.53Å; P321-K349 VanDerWaalsContact O-CA 3.31Å; P321-K349 WeakPolarHBondContact O-CA 3.5Å; E323-K349 HydrophobicContact CB-CB 4.44Å; E323-K349 HydrophobicContact CB-CD 4.39Å
350K92.6Very high84.9Confident43 Ų4363.1 Ų63.119%0.18734%0.339CS..EExtended strand (participates in β ladder)trans-76.3138169.9-68.4-67.2-178.1175.60110.6L60 P63 A174 P321 F322 E323L60-K350 HydrophobicContact CD1-CB 4.32Å; P63-K350 VanDerWaalsContact CD-NZ 3.34Å; A174-K350 HydrophobicContact CB-CG 4.46Å; P321-K350 PolarHBondContact O-N 2.84Å; F322-K350 CarbonylContact C-O 3.51Å; F322-K350 WeakPolarHBondContact CA-O 3.23Å; F322-K350 HydrophobicContact CB-CB 4.19Å; F322-K350 WeakPolarHBondContact CB-O 3.25Å; E323-K350 PolarHBondContact N-O 2.84Å
351S95.3Very high85.4Confident0 Ų063.4 Ų63.40%034%0.335CS..EExtended strand (participates in β ladder)trans-80.9123.8170.9-59.80000110.2I61 A333 S337I61-S351 PolarHBondContact N-O 3.07Å; I61-S351 VanDerWaalsContact N-O 3.12Å; A333-S351 PolarHBondContact O-OG 3.4Å; S337-S351 WeakPolarHBondContact OG-CB 3.46Å; S337-S351 PolarHBondContact OG-OG 2.86Å
352V96.6Very high86.2Confident0 Ų062.3 Ų62.30%033%0.329CS..EExtended strand (participates in β ladder)trans-108.3112.9170.3-170.80000107.6A58 L60 F322 E323 E324 I325 I354A58-V352 HydrophobicContact CB-CG1 3.88Å; L60-V352 HydrophobicContact CD1-CB 4.35Å; L60-V352 HydrophobicContact CD1-CG2 3.57Å; F322-V352 HydrophobicContact CB-CG2 3.91Å; F322-V352 HydrophobicContact CD2-CB 4.43Å; F322-V352 HydrophobicContact CD2-CG2 3.53Å; F322-V352 HydrophobicContact CE2-CG2 4.38Å; F322-V352 HydrophobicContact CG-CG2 4Å; E323-V352 PolarHBondContact O-N 3.09Å; E324-V352 WeakPolarHBondContact CA-O 3.5Å; I325-V352 PolarHBondContact N-O 3.3Å; V352-I354 HydrophobicContact CG1-CD1 3.93Å; V352-I354 PolarHBondContact O-N 3.18Å
353L97.4Very high86.9Confident0 Ų061.6 Ų61.60%032%0.317CS..EExtended strand (participates in β ladder)trans-73122.2173.2-63.3171.9000109.2A58 A59 I61 W117 I325 F327 W330 A333 M355A58-L353 CarbonylContact C-O 3.45Å; A58-L353 WeakPolarHBondContact CA-O 3.37Å; A59-L353 PolarHBondContact N-O 3.11Å; A59-L353 PolarHBondContact O-N 3.26Å; I61-L353 HydrophobicContact CD1-CD1 4.17Å; I61-L353 HydrophobicContact CD1-CD2 4.31Å; I61-L353 HydrophobicContact CD1-CG 4.19Å; I61-L353 HydrophobicContact CG1-CD1 4.2Å; I61-L353 HydrophobicContact CG1-CG 4.27Å; W117-L353 HydrophobicContact CB-CD1 4.42Å; W117-L353 HydrophobicContact CD2-CD1 4.16Å; W117-L353 HydrophobicContact CG-CD1 3.96Å; I325-L353 CarbonylContact O-C 3.59Å; I325-L353 WeakPolarHBondContact O-CA 3.16Å; F327-L353 HydrophobicContact CD2-CB 4.31Å; F327-L353 HydrophobicContact CD2-CD1 4.15Å; F327-L353 HydrophobicContact CE2-CD1 4.4Å; W330-L353 HydrophobicContact CB-CD2 4.03Å; A333-L353 HydrophobicContact CB-CD2 3.52Å; L353-M355 HydrophobicContact CB-CE 4.25Å
354I97.5Very high87.8Confident42 Ų4259 Ų5922%0.21530%0.296CS..EExtended strand (participates in β ladder)trans-98.1123175.6-55.6-55.5000109.9A58 E324 I325 F327 V352A58-I354 HydrophobicContact CB-CD1 4.06Å; E324-I354 HydrophobicContact CB-CD1 4.19Å; E324-I354 HydrophobicContact CB-CG1 3.76Å; E324-I354 HydrophobicContact CG-CD1 4.04Å; E324-I354 HydrophobicContact CG-CG1 4.18Å; I325-I354 PolarHBondContact O-N 3.29Å; F327-I354 VanDerWaalsContact CB-O 3.29Å; F327-I354 WeakPolarHBondContact CB-O 3.39Å; F327-I354 PolarHBondContact N-O 3.29Å; V352-I354 HydrophobicContact CG1-CD1 3.93Å; V352-I354 PolarHBondContact O-N 3.18Å
355M94.2Very high88.9Confident9 Ų961.3 Ų61.34%0.04430%0.304CS..  trans-94.3102.7-177.1-53-65.8179.200109V56 C57 A59 T119 F327 L353V56-M355 HydrophobicContact CB-CG 4.04Å; V56-M355 HydrophobicContact CG1-CE 4.27Å; V56-M355 HydrophobicContact CG1-CG 3.8Å; V56-M355 WeakPolarHBondContact O-CB 3.41Å; C57-M355 PolarHBondContact O-N 3.18Å; A59-M355 HydrophobicContact CB-CE 3.72Å; T119-M355 HydrophobicContact CG2-SD 4.18Å; F327-M355 HydrophobicContact CB-SD 3.65Å; F327-M355 HydrophobicContact CD1-SD 3.87Å; F327-M355 HydrophobicContact CD2-CE 3.57Å; F327-M355 HydrophobicContact CD2-SD 3.35Å; F327-M355 WeakPolarHBondContact CD2-SD 3.38Å; F327-M355 HydrophobicContact CE1-SD 4.33Å; F327-M355 HydrophobicContact CE2-CE 3.76Å; F327-M355 HydrophobicContact CE2-SD 3.86Å; F327-M355 HydrophobicContact CG-CE 4.22Å; F327-M355 HydrophobicContact CG-SD 3.34Å; F327-M355 WeakPolarHBondContact CG-SD 3.37Å; F327-M355 HydrophobicContact CZ-SD 4.32Å; L353-M355 HydrophobicContact CB-CE 4.25Å
356E78.6Confident89.7Confident189 Ų18956.5 Ų56.588%0.88327%0.269SS*.  trans-71.40-177.6-66.1-177.7175.100113.7K55K55-E356 PolarHBondContact NZ-OXT 2.8Å

Retrieved 356 of 356 residues in 433.1 ms (Link to these results)

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