A0A2K5XGS3_MANLE Loading...

Actin related protein T2

AlphaFold DB , UniProt , Accession A0A2K5XGS3, Species MANLE (Mandrillus leucophaeus, Drill), Gene ACTRT2, Length 377 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
1M52.1Low77.6Confident244 Ų24479.6 Ų79.6100%1.20243%0.425SS*.  0123.20-158.7176.8-121.500105.6N3M1-N3 PolarHBondContact O-N 3.28Å
2F62.5Low79.3Confident84 Ų8473 Ų7337%0.36839%0.39SS..  trans-62.5125.8-176.9175-101.6000109.6P4 L7 P134 T360F2-P4 HydrophobicContact CE1-CB 4.09Å; F2-P4 WeakPolarHBondContact O-CD 3.4Å; F2-L7 HydrophobicContact CZ-CD1 4Å; F2-L7 HydrophobicContact CZ-CG 4.13Å; F2-P134 WeakPolarHBondContact CE2-O 3.41Å; F2-T360 HydrophobicContact CE2-CG2 4.05Å; F2-T360 HydrophobicContact CZ-CG2 3.94Å
3N70.3Confident80.8Confident88 Ų8867.4 Ų67.447%0.47136%0.36SS..  trans-93.3106.3174.7-177.84000108.4M1 H5 A6M1-N3 PolarHBondContact O-N 3.28Å; N3-H5 PolarHBondContact O-N 3.48Å; N3-H5 VanDerWaalsContact O-N 3.16Å; N3-H5 WeakPolarHBondContact OD1-CB 3.32Å; N3-H5 PolarHBondContact OD1-CD2 2.66Å; N3-H5 PolarHBondContact OD1-N 3.17Å; N3-A6 WeakPolarHBondContact O-CB 3.39Å; N3-A6 PolarHBondContact O-N 3.34Å
4P68.1Low82.1Confident79 Ų7962.6 Ų62.651%0.51333%0.334SS..G310 helixtrans-61.5-24.3-178.322.7-31000113.1F2 A6 L7F2-P4 HydrophobicContact CE1-CB 4.09Å; F2-P4 WeakPolarHBondContact O-CD 3.4Å; P4-A6 PolarHBondContact O-N 3Å; P4-L7 PolarHBondContact O-N 2.66Å
5H75.5Confident83.2Confident130 Ų13058.7 Ų58.760%0.60231%0.313SS*.G310 helixtrans-67.7-15.5173.8-63-60.1000113.7N3 L7 D8N3-H5 PolarHBondContact O-N 3.48Å; N3-H5 VanDerWaalsContact O-N 3.16Å; N3-H5 WeakPolarHBondContact OD1-CB 3.32Å; N3-H5 PolarHBondContact OD1-CD2 2.66Å; N3-H5 PolarHBondContact OD1-N 3.17Å; H5-L7 PolarHBondContact O-N 3.16Å; H5-D8 IonicContact ND1-OD2 2.73Å; H5-D8 WeakPolarHBondContact O-CB 3.19Å; H5-D8 PolarHBondContact O-N 2.7Å
6A76.9Confident84.1Confident8 Ų855.4 Ų55.47%0.06630%0.296CS..G310 helixtrans-61-31174.400000111.4N3 P4 D8 S9 P106 P134N3-A6 WeakPolarHBondContact O-CB 3.39Å; N3-A6 PolarHBondContact O-N 3.34Å; P4-A6 PolarHBondContact O-N 3Å; A6-D8 PolarHBondContact O-N 3.44Å; A6-S9 WeakPolarHBondContact O-CB 3.47Å; A6-S9 PolarHBondContact O-N 3.3Å; A6-P106 VanDerWaalsContact O-CD 3.25Å; A6-P106 WeakPolarHBondContact O-CD 3.25Å; A6-P134 HydrophobicContact CB-CB 3.8Å; A6-P134 HydrophobicContact CB-CG 3.85Å
7L82.3Confident84.9Confident32 Ų3252.9 Ų52.917%0.16829%0.287CS..G310 helixtrans-75.2-8.2176-59.5-177000113.8F2 P4 H5 P106 A135 W358F2-L7 HydrophobicContact CZ-CD1 4Å; F2-L7 HydrophobicContact CZ-CG 4.13Å; P4-L7 PolarHBondContact O-N 2.66Å; H5-L7 PolarHBondContact O-N 3.16Å; L7-P106 HydrophobicContact CD2-CB 4.31Å; L7-A135 HydrophobicContact CD2-CB 3.48Å; L7-A135 VanDerWaalsContact CD2-CB 3.48Å; L7-W358 HydrophobicContact CD2-CB 4.48Å; L7-W358 HydrophobicContact CD2-CG 4.14Å
8D84.5Confident85.5Confident96 Ų9650.4 Ų50.451%0.51327%0.274SS..G310 helixtrans-91.3-13.7173.4-60.8-40.7000111.9H5 A6 K355H5-D8 IonicContact ND1-OD2 2.73Å; H5-D8 WeakPolarHBondContact O-CB 3.19Å; H5-D8 PolarHBondContact O-N 2.7Å; A6-D8 PolarHBondContact O-N 3.44Å; D8-K355 IonicContact OD1-NZ 3.51Å; D8-K355 PolarHBondContact OD1-NZ 3.12Å
9S89.8Confident86Confident43 Ų4348.7 Ų48.730%0.30127%0.269SS..SBendtrans-71.6147171.4-63.40000110.8A6 A11A6-S9 WeakPolarHBondContact O-CB 3.47Å; A6-S9 PolarHBondContact O-N 3.3Å; S9-A11 PolarHBondContact O-N 3.26Å
10P94.3Very high86.6Confident68 Ų6849.1 Ų49.144%0.44227%0.27SS..PPolyproline II helixtrans-53.7130.5168.9-24.133.9000110.6L25 Q105P10-L25 HydrophobicContact CB-CB 4.33Å; P10-Q105 PolarHBondContact O-OE1 3.27Å
11A97.3Very high87.1Confident4 Ų446.8 Ų46.83%0.03326%0.257CS..PPolyproline II helixtrans-70.5143.917800000111.2S9 L25 S26 P106 T349 W358S9-A11 PolarHBondContact O-N 3.26Å; A11-L25 CarbonylContact O-C 3.48Å; A11-L25 WeakPolarHBondContact O-CA 3.28Å; A11-S26 PolarHBondContact O-N 3.1Å; A11-P106 CarbonylContact C-O 3.46Å; A11-P106 VanDerWaalsContact CA-O 3.28Å; A11-P106 WeakPolarHBondContact CA-O 3.44Å; A11-P106 HydrophobicContact CB-CB 4.45Å; A11-P106 HydrophobicContact CB-CG 3.9Å; A11-T349 HydrophobicContact CB-CG2 4.36Å; A11-W358 HydrophobicContact CB-CH2 3.8Å; A11-W358 HydrophobicContact CB-CZ2 3.79Å
12V98.3Very high89.3Confident0 Ų036.2 Ų36.20%020%0.204CC..EExtended strand (participates in β ladder)trans-74141163.4-179.10000108.5F14 L25 F94 L98 V100 Q105 P106 L107 L108V12-F14 HydrophobicContact CG1-CD1 3.92Å; V12-F14 HydrophobicContact CG1-CE1 3.48Å; V12-F14 VanDerWaalsContact CG1-CE1 3.48Å; V12-F14 HydrophobicContact CG1-CZ 3.84Å; V12-L25 HydrophobicContact CG2-CD2 3.94Å; V12-F94 HydrophobicContact CB-CE1 4.28Å; V12-F94 HydrophobicContact CG1-CE1 4.01Å; V12-F94 HydrophobicContact CG2-CE1 4.06Å; V12-L98 HydrophobicContact CG1-CD1 3.54Å; V12-V100 HydrophobicContact CG2-CG1 4.11Å; V12-Q105 HydrophobicContact CG2-CB 4.04Å; V12-P106 PolarHBondContact N-O 3.26Å; V12-L107 HydrophobicContact CB-CD1 3.69Å; V12-L107 HydrophobicContact CG1-CD1 3.57Å; V12-L107 WeakPolarHBondContact O-CA 3.04Å; V12-L108 PolarHBondContact O-N 2.94Å
13I98.8Very high91Very high0 Ų032.2 Ų32.20%019%0.187CC..EExtended strand (participates in β ladder)trans-122.1123176.8-62.5162.6000108.7A23 G24 L108 W342 A345 S346I13-A23 VanDerWaalsContact O-CA 3.31Å; I13-A23 WeakPolarHBondContact O-CA 3.23Å; I13-G24 PolarHBondContact N-O 3Å; I13-G24 PolarHBondContact O-N 3.31Å; I13-L108 WeakPolarHBondContact CA-O 3.48Å; I13-L108 HydrophobicContact CG2-CD2 4.45Å; I13-W342 HydrophobicContact CB-CZ2 4.44Å; I13-W342 HydrophobicContact CD1-CZ2 4.11Å; I13-W342 HydrophobicContact CG2-CG 4.29Å; I13-A345 HydrophobicContact CD1-CB 4.17Å; I13-A345 HydrophobicContact CG1-CB 4.32Å; I13-A345 HydrophobicContact CG2-CB 3.52Å; I13-S346 VanDerWaalsContact CD1-CA 3.42Å
14F98.6Very high92.3Very high0 Ų028 Ų280%017%0.165CC..EExtended strand (participates in β ladder)trans-113.6106.9169.1-66.1-22.4000110.6V12 N16 A23 W90 L93 F94 L98 L107 L108 A109 T110 M127V12-F14 HydrophobicContact CG1-CD1 3.92Å; V12-F14 HydrophobicContact CG1-CE1 3.48Å; V12-F14 VanDerWaalsContact CG1-CE1 3.48Å; V12-F14 HydrophobicContact CG1-CZ 3.84Å; F14-N16 PolarHBondContact O-N 3.14Å; F14-A23 HydrophobicContact CD1-CB 3.86Å; F14-A23 HydrophobicContact CE1-CB 3.96Å; F14-W90 AromaticContact CD2-CD1 3.42Å; F14-W90 VanDerWaalsContact CD2-CD1 3.42Å; F14-W90 HydrophobicContact CD2-CG 4.25Å; F14-W90 AromaticContact CD2-NE1 3.81Å; F14-W90 HydrophobicContact CE2-CB 4.26Å; F14-W90 AromaticContact CE2-CD1 3.67Å; F14-W90 HydrophobicContact CE2-CG 4.17Å; F14-L93 HydrophobicContact CD1-CD1 4.13Å; F14-L93 HydrophobicContact CE1-CB 3.77Å; F14-L93 HydrophobicContact CE1-CD1 4.1Å; F14-L93 HydrophobicContact CZ-CB 3.86Å; F14-L93 HydrophobicContact CZ-CD1 4.44Å; F14-F94 AromaticContact CE2-CD2 3.89Å; F14-F94 HydrophobicContact CE2-CD2 3.89Å; F14-F94 HydrophobicContact CE2-CE1 4.2Å; F14-F94 AromaticContact CE2-CE2 3.38Å; F14-F94 HydrophobicContact CE2-CE2 3.38Å; F14-F94 HydrophobicContact CE2-CG 4.49Å; F14-F94 AromaticContact CE2-CZ 3.56Å; F14-F94 HydrophobicContact CE2-CZ 3.56Å; F14-F94 AromaticContact CZ-CD1 3.96Å; F14-F94 HydrophobicContact CZ-CD1 3.96Å; F14-F94 AromaticContact CZ-CD2 3.77Å; F14-F94 HydrophobicContact CZ-CD2 3.77Å; F14-F94 AromaticContact CZ-CE1 3.81Å; F14-F94 HydrophobicContact CZ-CE1 3.81Å; F14-F94 AromaticContact CZ-CE2 3.64Å; F14-F94 HydrophobicContact CZ-CE2 3.64Å; F14-F94 AromaticContact CZ-CG 3.93Å; F14-F94 HydrophobicContact CZ-CG 3.93Å; F14-F94 AromaticContact CZ-CZ 3.65Å; F14-F94 HydrophobicContact CZ-CZ 3.65Å; F14-L98 HydrophobicContact CE1-CD1 3.79Å; F14-L98 HydrophobicContact CZ-CD1 4.45Å; F14-L107 HydrophobicContact CB-CD1 4.49Å; F14-L107 HydrophobicContact CD1-CD1 4.39Å; F14-L107 HydrophobicContact CD2-CD1 3.57Å; F14-L107 HydrophobicContact CD2-CD2 4.11Å; F14-L107 HydrophobicContact CD2-CG 4.43Å; F14-L107 HydrophobicContact CE2-CD1 3.79Å; F14-L107 HydrophobicContact CE2-CD2 4.26Å; F14-L107 HydrophobicContact CG-CD1 3.89Å; F14-L107 HydrophobicContact CZ-CD1 4.29Å; F14-L108 PolarHBondContact N-O 3.03Å; F14-A109 CarbonylContact O-C 3.52Å; F14-A109 WeakPolarHBondContact O-CA 3.44Å; F14-T110 PolarHBondContact O-N 3.04Å; F14-M127 HydrophobicContact CD2-CE 4.46Å
15D98.5Very high93.7Very high4 Ų425 Ų252%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-85.9102.9165.617126.9000109.2G17 C21 K22 T110 Q141 W342D15-G17 PolarHBondContact O-N 3.36Å; D15-C21 VanDerWaalsContact O-CA 3.31Å; D15-C21 WeakPolarHBondContact O-CA 3.28Å; D15-C21 PolarHBondContact O-SG 3.14Å; D15-C21 VanDerWaalsContact O-SG 3.4Å; D15-K22 HydrophobicContact CB-CB 4.18Å; D15-K22 PolarHBondContact N-O 3.08Å; D15-K22 PolarHBondContact O-N 3.25Å; D15-K22 WeakPolarHBondContact OD2-CD 3.38Å; D15-K22 IonicContact OD2-NZ 2.84Å; D15-K22 PolarHBondContact OD2-NZ 3.3Å; D15-T110 VanDerWaalsContact CA-OG1 3.31Å; D15-T110 WeakPolarHBondContact CA-OG1 3.43Å; D15-T110 HydrophobicContact CB-CG2 4.09Å; D15-T110 PolarHBondContact OD1-OG1 3.38Å; D15-Q141 PolarHBondContact OD1-NE2 2.98Å; D15-W342 HydrophobicContact CB-CB 4.25Å
16N97.9Very high94.7Very high7 Ų719.6 Ų19.64%0.03712%0.121CC..EExtended strand (participates in β ladder)trans-86.288.1-173.6-59.3-57.8000110.9F14 I75 M86 W90 T110 Q141F14-N16 PolarHBondContact O-N 3.14Å; N16-I75 HydrophobicContact CB-CD1 3.98Å; N16-M86 HydrophobicContact CB-CE 4.35Å; N16-M86 VanDerWaalsContact OD1-CE 3.28Å; N16-M86 WeakPolarHBondContact OD1-CE 3.31Å; N16-W90 PolarHBondContact OD1-NE1 3.14Å; N16-T110 PolarHBondContact N-OG1 3.04Å; N16-T110 PolarHBondContact ND2-O 2.96Å; N16-T110 VanDerWaalsContact ND2-O 3.13Å; N16-Q141 PolarHBondContact O-NE2 2.99Å; N16-Q141 VanDerWaalsContact O-NE2 3.14Å
17G97Very high95.6Very high13 Ų1321.6 Ų21.613%0.13414%0.142CC..  trans-95.3151.2175.800000113.8D15 G19 L20 S37D15-G17 PolarHBondContact O-N 3.36Å; G17-G19 VanDerWaalsContact C-N 3.27Å; G17-G19 PolarHBondContact O-N 2.95Å; G17-L20 WeakPolarHBondContact CA-O 3.36Å; G17-L20 PolarHBondContact N-O 3.09Å; G17-S37 WeakPolarHBondContact O-CB 3.37Å; G17-S37 PolarHBondContact O-OG 3.22Å
18S96.6Very high96.2Very high8 Ų822.6 Ų22.66%0.05615%0.146CC..SBendtrans-60.6-31.5177.8-49.70000114.5G78 R187S18-G78 WeakPolarHBondContact OG-CA 3.38Å; S18-G78 PolarHBondContact OG-N 2.74Å; S18-R187 PolarHBondContact O-NH2 3.2Å; S18-R187 VanDerWaalsContact O-NH2 3.13Å
19G95.5Very high96.5Very high17 Ų1727.8 Ų27.818%0.17516%0.164CC..SBendtrans-102.7-45.2178.500000112.4G17 S36 S37 D161G17-G19 VanDerWaalsContact C-N 3.27Å; G17-G19 PolarHBondContact O-N 2.95Å; G19-S36 WeakPolarHBondContact O-CA 3.35Å; G19-S37 PolarHBondContact O-N 2.82Å; G19-D161 WeakPolarHBondContact CA-OD2 3.41Å
20L96.9Very high96.8Very high57 Ų5726.9 Ų26.930%0.29816%0.162SC..EExtended strand (participates in β ladder)trans-129.9132.8-177.4-59.8174.6000110.2G17 K22 I34 V35 S37G17-L20 WeakPolarHBondContact CA-O 3.36Å; G17-L20 PolarHBondContact N-O 3.09Å; L20-K22 HydrophobicContact CB-CD 4.22Å; L20-I34 HydrophobicContact CB-CG2 4.21Å; L20-I34 HydrophobicContact CD1-CG2 4Å; L20-I34 HydrophobicContact CD2-CG2 4.32Å; L20-I34 HydrophobicContact CG-CG2 4.42Å; L20-V35 WeakPolarHBondContact CA-O 3.44Å; L20-S37 VanDerWaalsContact C-OG 3.3Å
21C97.4Very high97Very high0 Ų024.7 Ų24.70%015%0.147CC..EExtended strand (participates in β ladder)trans-96.5131.5164.7-170.30000109.2D15 V35 S37 L89 L93D15-C21 VanDerWaalsContact O-CA 3.31Å; D15-C21 WeakPolarHBondContact O-CA 3.28Å; D15-C21 PolarHBondContact O-SG 3.14Å; D15-C21 VanDerWaalsContact O-SG 3.4Å; C21-V35 PolarHBondContact N-O 3.1Å; C21-V35 PolarHBondContact O-N 2.98Å; C21-S37 PolarHBondContact N-OG 3.31Å; C21-S37 VanDerWaalsContact N-OG 3.11Å; C21-L89 HydrophobicContact CB-CD2 4.28Å; C21-L93 HydrophobicContact CB-CD1 4.41Å; C21-L93 WeakPolarHBondContact SG-CD1 3.22Å
22K98.4Very high97Very high22 Ų2230.2 Ų30.210%0.09617%0.167CC..EExtended strand (participates in β ladder)trans-111.9131.3178.4-59.271148.2-1410109.2D15 L20 P31 H33 I34 W342D15-K22 HydrophobicContact CB-CB 4.18Å; D15-K22 PolarHBondContact N-O 3.08Å; D15-K22 PolarHBondContact O-N 3.25Å; D15-K22 WeakPolarHBondContact OD2-CD 3.38Å; D15-K22 IonicContact OD2-NZ 2.84Å; D15-K22 PolarHBondContact OD2-NZ 3.3Å; L20-K22 HydrophobicContact CB-CD 4.22Å; K22-P31 HydrophobicContact CB-CB 3.77Å; K22-P31 HydrophobicContact CB-CG 4.08Å; K22-P31 HydrophobicContact CG-CB 4.42Å; K22-P31 HydrophobicContact CG-CG 4.2Å; K22-H33 WeakPolarHBondContact CA-O 3.38Å; K22-I34 HydrophobicContact CG-CG1 4.2Å; K22-I34 HydrophobicContact CG-CG2 4.25Å; K22-W342 HydrophobicContact CB-CG 4.37Å
23A98.4Very high96.9Very high0 Ų032.5 Ų32.50%018%0.178CC..EExtended strand (participates in β ladder)trans-130.5143-175.800000111.7I13 F14 R32 H33 L93 L98I13-A23 VanDerWaalsContact O-CA 3.31Å; I13-A23 WeakPolarHBondContact O-CA 3.23Å; F14-A23 HydrophobicContact CD1-CB 3.86Å; F14-A23 HydrophobicContact CE1-CB 3.96Å; A23-R32 PolarHBondContact O-N 3.45Å; A23-H33 PolarHBondContact N-O 3.49Å; A23-H33 PolarHBondContact O-N 3.02Å; A23-L93 HydrophobicContact CB-CD1 4.46Å; A23-L93 HydrophobicContact CB-CD2 3.97Å; A23-L98 HydrophobicContact CB-CD1 4.3Å; A23-L98 HydrophobicContact CB-CD2 4.48Å; A23-L98 HydrophobicContact CB-CG 4.46Å
24G98.3Very high96.8Very high0 Ų035.7 Ų35.70%019%0.194CC..EExtended strand (participates in β ladder)trans-178.7-169.417700000111.6I13I13-G24 PolarHBondContact N-O 3Å; I13-G24 PolarHBondContact O-N 3.31Å
25L97.7Very high96.7Very high16 Ų1636 Ų368%0.08420%0.197CC..EExtended strand (participates in β ladder)trans-108.8152.6178.6-58.2-173.4000111.6P10 A11 V12 E28P10-L25 HydrophobicContact CB-CB 4.33Å; A11-L25 CarbonylContact O-C 3.48Å; A11-L25 WeakPolarHBondContact O-CA 3.28Å; V12-L25 HydrophobicContact CG2-CD2 3.94Å; L25-E28 HydrophobicContact CB-CG 4.46Å; L25-E28 PolarHBondContact N-OE2 3.04Å; L25-E28 WeakPolarHBondContact O-CG 3.4Å; L25-E28 PolarHBondContact O-N 3.45Å
26S96.4Very high96.6Very high17 Ų1736.6 Ų36.612%0.11920%0.201CC..THydrogen-bonded Turntrans-55.9137.7172.8-172.60000111.8A11 T349 S350A11-S26 PolarHBondContact O-N 3.1Å; S26-T349 VanDerWaalsContact CB-OG1 3.28Å; S26-T349 WeakPolarHBondContact CB-OG1 3.38Å; S26-T349 VanDerWaalsContact OG-C 3.29Å; S26-T349 WeakPolarHBondContact OG-CB 3.49Å; S26-T349 PolarHBondContact OG-OG1 3.49Å; S26-S350 PolarHBondContact OG-N 3.12Å; S26-S350 PolarHBondContact OG-OG 2.81Å; S26-S350 VanDerWaalsContact OG-OG 3.1Å
27G94.4Very high96.6Very high49 Ų4936.2 Ų36.251%0.50520%0.199SC..THydrogen-bonded Turntrans90.6-2.6177.700000114.4S346 S350G27-S346 PolarHBondContact N-OG 3.37Å; G27-S350 VanDerWaalsContact CA-OG 3.23Å; G27-S350 WeakPolarHBondContact CA-OG 3.44Å; G27-S350 PolarHBondContact N-OG 3.24Å; G27-S350 VanDerWaalsContact N-OG 3.09Å
28E95.4Very high96.5Very high53 Ų5337 Ų3725%0.24820%0.2CC..  trans-87.8154.5175.5-50.4-177.9127.800111.6L25 G30 R32 W342 S346L25-E28 HydrophobicContact CB-CG 4.46Å; L25-E28 PolarHBondContact N-OE2 3.04Å; L25-E28 WeakPolarHBondContact O-CG 3.4Å; L25-E28 PolarHBondContact O-N 3.45Å; E28-G30 VanDerWaalsContact C-N 3.32Å; E28-G30 PolarHBondContact O-N 3.27Å; E28-R32 IonicContact OE1-CZ 2.66Å; E28-R32 IonicContact OE1-NE 2.87Å; E28-R32 PolarHBondContact OE1-NE 3.45Å; E28-R32 IonicContact OE1-NH2 3.82Å; E28-R32 PolarHBondContact OE1-NH2 3.24Å; E28-R32 VanDerWaalsContact OE2-CG 3.22Å; E28-R32 WeakPolarHBondContact OE2-CG 3.46Å; E28-R32 IonicContact OE2-CZ 3.09Å; E28-R32 IonicContact OE2-NE 3.97Å; E28-R32 PolarHBondContact OE2-NE 2.8Å; E28-R32 IonicContact OE2-NH2 2.66Å; E28-W342 HydrophobicContact CB-CH2 4Å; E28-W342 WeakPolarHBondContact O-CZ3 3.18Å; E28-S346 PolarHBondContact N-OG 3.15Å; E28-S346 PolarHBondContact O-OG 2.8Å
29F91.8Very high96.5Very high205 Ų20536.7 Ų36.790%0.89920%0.197SC*.SBendtrans-76.3-17.6-176.5-65.7-76.1000114
30G95.5Very high96.4Very high24 Ų2435.9 Ų35.925%0.24719%0.189CC..SBendtrans-163.3165.4178.900000111E28 W342E28-G30 VanDerWaalsContact C-N 3.32Å; E28-G30 PolarHBondContact O-N 3.27Å; G30-W342 VanDerWaalsContact C-CH2 3.5Å; G30-W342 VanDerWaalsContact O-CH2 3.29Å; G30-W342 WeakPolarHBondContact O-CH2 3.43Å; G30-W342 WeakPolarHBondContact O-CZ3 3.35Å
31P97.4Very high96.2Very high22 Ų2234.9 Ų34.914%0.14318%0.183CC..  trans-63.4137.7179.927.5-34.7000110.6K22 I34 F339 W342K22-P31 HydrophobicContact CB-CB 3.77Å; K22-P31 HydrophobicContact CB-CG 4.08Å; K22-P31 HydrophobicContact CG-CB 4.42Å; K22-P31 HydrophobicContact CG-CG 4.2Å; P31-I34 HydrophobicContact CB-CG1 4.35Å; P31-I34 HydrophobicContact CG-CD1 3.92Å; P31-I34 HydrophobicContact CG-CG1 3.98Å; P31-F339 VanDerWaalsContact CD-CD2 3.45Å; P31-F339 HydrophobicContact CG-CD2 4.34Å; P31-W342 HydrophobicContact CB-CD2 3.85Å; P31-W342 HydrophobicContact CB-CE3 4.41Å; P31-W342 HydrophobicContact CB-CG 4.06Å; P31-W342 HydrophobicContact CB-CZ2 4.47Å; P31-W342 HydrophobicContact CG-CD2 4.35Å; P31-W342 HydrophobicContact CG-CG 4.46Å
32R97.1Very high95.8Very high120 Ų12037.1 Ų37.145%0.45319%0.194SC..SBendtrans-67.9-38.8174.4-69.7-178.3179.7-171.8-3.8111.9A23 E28A23-R32 PolarHBondContact O-N 3.45Å; E28-R32 IonicContact OE1-CZ 2.66Å; E28-R32 IonicContact OE1-NE 2.87Å; E28-R32 PolarHBondContact OE1-NE 3.45Å; E28-R32 IonicContact OE1-NH2 3.82Å; E28-R32 PolarHBondContact OE1-NH2 3.24Å; E28-R32 VanDerWaalsContact OE2-CG 3.22Å; E28-R32 WeakPolarHBondContact OE2-CG 3.46Å; E28-R32 IonicContact OE2-CZ 3.09Å; E28-R32 IonicContact OE2-NE 3.97Å; E28-R32 PolarHBondContact OE2-NE 2.8Å; E28-R32 IonicContact OE2-NH2 2.66Å
33H97.6Very high95Very high48 Ų4840.8 Ų40.822%0.22221%0.21CC..EExtended strand (participates in β ladder)trans-132.2140.5-173.7-57.3-92.1000110.4K22 A23 V35 E97K22-H33 WeakPolarHBondContact CA-O 3.38Å; A23-H33 PolarHBondContact N-O 3.49Å; A23-H33 PolarHBondContact O-N 3.02Å; H33-V35 HydrophobicContact CB-CG2 4.49Å; H33-E97 HydrophobicContact CB-CB 4.04Å; H33-E97 HydrophobicContact CB-CG 4.37Å; H33-E97 PolarHBondContact CE1-O 2.68Å; H33-E97 VanDerWaalsContact CE1-O 3.22Å; H33-E97 IonicContact CE1-OE2 2.7Å; H33-E97 IonicContact CG-OE2 3.99Å; H33-E97 IonicContact ND1-OE2 3.52Å; H33-E97 PolarHBondContact ND1-OE2 3.45Å; H33-E97 PolarHBondContact NE2-O 2.96Å
34I97.1Very high93.8Very high67 Ų6749.5 Ų49.534%0.34425%0.248SC..EExtended strand (participates in β ladder)trans-133.4113.1179.4-53.3-178.4000105.7L20 K22 P31 W338L20-I34 HydrophobicContact CB-CG2 4.21Å; L20-I34 HydrophobicContact CD1-CG2 4Å; L20-I34 HydrophobicContact CD2-CG2 4.32Å; L20-I34 HydrophobicContact CG-CG2 4.42Å; K22-I34 HydrophobicContact CG-CG1 4.2Å; K22-I34 HydrophobicContact CG-CG2 4.25Å; P31-I34 HydrophobicContact CB-CG1 4.35Å; P31-I34 HydrophobicContact CG-CD1 3.92Å; P31-I34 HydrophobicContact CG-CG1 3.98Å; I34-W338 HydrophobicContact CD1-CH2 3.22Å; I34-W338 HydrophobicContact CD1-CZ2 4.43Å; I34-W338 HydrophobicContact CD1-CZ3 3.5Å; I34-W338 VanDerWaalsContact CD1-CZ3 3.5Å; I34-W338 HydrophobicContact CG2-CZ3 4.48Å
35V96.5Very high92.1Very high8 Ų857.1 Ų57.15%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-124.5132.7-169.1-175.70000108.3L20 C21 H33 S37 V58 L89 L93 E97L20-V35 WeakPolarHBondContact CA-O 3.44Å; C21-V35 PolarHBondContact N-O 3.1Å; C21-V35 PolarHBondContact O-N 2.98Å; H33-V35 HydrophobicContact CB-CG2 4.49Å; V35-S37 PolarHBondContact O-N 2.81Å; V35-V58 HydrophobicContact CG1-CG1 4.38Å; V35-L89 HydrophobicContact CG1-CD1 4.35Å; V35-L93 HydrophobicContact CB-CD2 4.19Å; V35-L93 HydrophobicContact CG2-CD2 3.73Å; V35-E97 HydrophobicContact CG2-CG 4.08Å
36S95.8Very high90.3Very high15 Ų1559 Ų5911%0.10530%0.302CS..EExtended strand (participates in β ladder)trans-56.2128.5170.7-69.70000110.6G19 I38 G59 E60G19-S36 WeakPolarHBondContact O-CA 3.35Å; S36-I38 PolarHBondContact O-N 2.94Å; S36-G59 WeakPolarHBondContact O-CA 3.2Å; S36-E60 WeakPolarHBondContact CB-OE1 3.39Å; S36-E60 PolarHBondContact OG-OE1 2.89Å
37S96.6Very high88.4Confident0 Ų065 Ų650%034%0.34CS..SBendtrans-76.162.4-177.9-63.80000111.1G17 G19 L20 C21 V35 P74G17-S37 WeakPolarHBondContact O-CB 3.37Å; G17-S37 PolarHBondContact O-OG 3.22Å; G19-S37 PolarHBondContact O-N 2.82Å; L20-S37 VanDerWaalsContact C-OG 3.3Å; C21-S37 PolarHBondContact N-OG 3.31Å; C21-S37 VanDerWaalsContact N-OG 3.11Å; V35-S37 PolarHBondContact O-N 2.81Å; S37-P74 WeakPolarHBondContact O-CD 3.5Å
38I95.4Very high86.6Confident30 Ų3068 Ų6815%0.15435%0.354CS..  trans-138.2140.2-173.9-66.3175.1000109.6S36 G59 A62 L63 L71 H72S36-I38 PolarHBondContact O-N 2.94Å; I38-G59 PolarHBondContact O-N 3.49Å; I38-A62 HydrophobicContact CG2-CB 4.43Å; I38-L63 HydrophobicContact CD1-CD2 3.96Å; I38-L71 HydrophobicContact CG2-CB 3.91Å; I38-L71 HydrophobicContact CG2-CD1 4.04Å; I38-L71 HydrophobicContact CG2-CD2 3.89Å; I38-L71 HydrophobicContact CG2-CG 4.17Å; I38-H72 WeakPolarHBondContact CA-O 3.34Å
39V96.4Very high84.6Confident0 Ų067.5 Ų67.50%036%0.358CS..EExtended strand (participates in β ladder)trans-121.6125.6169.9-174.60000109.1Y56 F57 V58 H72 D85V39-Y56 HydrophobicContact CG1-CD2 4.1Å; V39-Y56 HydrophobicContact CG1-CG 4.41Å; V39-F57 CarbonylContact C-O 3.58Å; V39-F57 WeakPolarHBondContact CA-O 3.45Å; V39-V58 HydrophobicContact CG2-CG2 4.38Å; V39-H72 PolarHBondContact N-O 2.66Å; V39-H72 PolarHBondContact O-N 3.13Å; V39-D85 HydrophobicContact CB-CB 4.05Å; V39-D85 HydrophobicContact CG2-CB 3.84Å; V39-D85 WeakPolarHBondContact CG2-O 3.48Å
40G94.6Very high82.9Confident0 Ų060.4 Ų60.40%034%0.344CS..EExtended strand (participates in β ladder)trans-101.7127.5178.200000112.3Y56 F57 Q70G40-Y56 CarbonylContact O-C 3.11Å; G40-Y56 WeakPolarHBondContact O-CA 3.27Å; G40-F57 PolarHBondContact N-O 2.95Å; G40-F57 PolarHBondContact O-N 2.91Å; G40-Q70 WeakPolarHBondContact CA-O 3.37Å
41H92.6Very high81.2Confident37 Ų3764.5 Ų64.517%0.17138%0.375CS..EExtended strand (participates in β ladder)trans-108.9141.3177.7-63.5-74.5000111K43 L69 Q70 H72 D85 R88H41-K43 PolarHBondContact O-N 3.41Å; H41-L69 CarbonylContact O-C 3.57Å; H41-L69 VanDerWaalsContact O-CA 3.25Å; H41-L69 WeakPolarHBondContact O-CA 3.48Å; H41-Q70 PolarHBondContact N-O 2.87Å; H41-Q70 PolarHBondContact O-N 3.05Å; H41-H72 AromaticContact CD2-CE1 3.66Å; H41-H72 AromaticContact CD2-CG 3.94Å; H41-H72 AromaticContact CD2-ND1 3.39Å; H41-H72 PolarHBondContact CD2-ND1 3.22Å; H41-H72 AromaticContact NE2-ND1 3.71Å; H41-D85 IonicContact CE1-OD1 2.81Å; H41-D85 PolarHBondContact CE1-OD1 2.77Å; H41-D85 IonicContact NE2-OD1 2.79Å; H41-D85 PolarHBondContact NE2-OD1 2.99Å; H41-D85 IonicContact NE2-OD2 2.81Å; H41-D85 PolarHBondContact NE2-OD2 3.13Å; H41-R88 PolarHBondContact CE1-NH1 3.45Å
42L88.1Confident79.3Confident47 Ų4771.4 Ų71.425%0.24641%0.411CS..EExtended strand (participates in β ladder)trans-62.2124.3178.5-71.1165.8000111.4F44 F57 L69L42-F44 VanDerWaalsContact C-N 3.27Å; L42-F44 PolarHBondContact O-N 2.9Å; L42-F57 HydrophobicContact CD2-CE2 4.47Å; L42-L69 HydrophobicContact CD2-CD2 3.7Å; L42-L69 HydrophobicContact CG-CD2 4.05Å
43K81.9Confident77.9Confident99 Ų9971.1 Ų71.143%0.4341%0.414SS..SBendtrans-61.1-35.4178.1-71.4176-179.8151.90112.6H41 L66 E67 A68 L69 Q70H41-K43 PolarHBondContact O-N 3.41Å; K43-L66 PolarHBondContact NZ-O 2.95Å; K43-E67 PolarHBondContact NZ-O 2.89Å; K43-A68 PolarHBondContact N-O 2.94Å; K43-A68 VanDerWaalsContact N-O 3.12Å; K43-L69 WeakPolarHBondContact CE-O 3.34Å; K43-L69 PolarHBondContact NZ-O 3.05Å; K43-Q70 HydrophobicContact CG-CB 4.18Å
44F73.8Confident76.7Confident182 Ų18272.8 Ų72.880%0.79842%0.421SS*.  trans-128.9117.9-179.6-62.5-79.4000109.8L42L42-F44 VanDerWaalsContact C-N 3.27Å; L42-F44 PolarHBondContact O-N 2.9Å
45Q62.8Low76Confident161 Ų16177 Ų7775%0.75244%0.437SS*.  trans-88.1106168.6-68.2-176.73.900108.4
46A58.8Low75.7Confident54 Ų5479.3 Ų79.345%0.44645%0.445SS..  trans-66.8129.6172.500000109.4S48 A49A46-S48 PolarHBondContact O-N 3.26Å; A46-A49 WeakPolarHBondContact O-CB 3.42Å; A46-A49 PolarHBondContact O-N 3.44Å; A46-A49 VanDerWaalsContact O-N 3.09Å
47P57.9Low75.6Confident143 Ų14379.5 Ų79.593%0.92944%0.444SS*.THydrogen-bonded Turntrans-59.7-17.9-180-22.631000114.5
48S55.3Low75.5Confident113 Ų11379.7 Ų79.779%0.7945%0.445SS*.THydrogen-bonded Turntrans-96.93.1-178.448.70000114.3A46 G50A46-S48 PolarHBondContact O-N 3.26Å; S48-G50 PolarHBondContact O-N 3.11Å
49A53.4Low75.4Confident42 Ų4278.3 Ų78.335%0.34744%0.438SS..  trans-67.1114.4173.800000110A46A46-A49 WeakPolarHBondContact O-CB 3.42Å; A46-A49 PolarHBondContact O-N 3.44Å; A46-A49 VanDerWaalsContact O-N 3.09Å
50G56.9Low75.1Confident57 Ų5782.3 Ų82.359%0.58846%0.457SS*.  trans-55.3156.7178.300000112.5S48 N52 Q53S48-G50 PolarHBondContact O-N 3.11Å; G50-N52 PolarHBondContact O-N 2.94Å; G50-Q53 PolarHBondContact O-N 2.96Å
51A59.4Low74.8Confident110 Ų11085.4 Ų85.491%0.90947%0.471SS*.THydrogen-bonded Turntrans-55-8.7-17400000116.2
52N58.2Low74.7Confident166 Ų16683.6 Ų83.689%0.88846%0.463SS*.THydrogen-bonded Turntrans-102.88.4-176.9-86.74.5000115.4G50 K54G50-N52 PolarHBondContact O-N 2.94Å; N52-K54 PolarHBondContact O-N 3.42Å
53Q66.8Low74.5Confident114 Ų11483.7 Ų83.753%0.53346%0.464SS..  trans-76.5127.2177.8-156.4170.626.700111.6G50 K55G50-Q53 PolarHBondContact O-N 2.96Å; Q53-K55 PolarHBondContact O-N 3.12Å
54K72.7Confident74.6Confident83 Ų8388.2 Ų88.236%0.36148%0.479SS..  trans-60118.9175.3-161.4-179.2176.3-178.90108.6N52 Y56 F57 E61N52-K54 PolarHBondContact O-N 3.42Å; K54-Y56 WeakPolarHBondContact CE-O 3.14Å; K54-Y56 WeakPolarHBondContact CG-O 2.94Å; K54-F57 HydrophobicContact CB-CE1 4.4Å; K54-F57 HydrophobicContact CB-CZ 4.44Å; K54-F57 HydrophobicContact CD-CD1 4.08Å; K54-F57 HydrophobicContact CD-CE1 3.86Å; K54-F57 HydrophobicContact CG-CE1 4.43Å; K54-E61 IonicContact NZ-OE2 3.77Å; K54-E61 PolarHBondContact NZ-OE2 3.22Å
55K81.8Confident75.1Confident156 Ų15683.4 Ų83.468%0.67846%0.458SS*.  trans-80.2-23.4-170.2-64.5-176.5179.8-179.80113.8Q53Q53-K55 PolarHBondContact O-N 3.12Å
56Y90.9Very high75.8Confident56 Ų5677.3 Ų77.322%0.2243%0.43CS..EExtended strand (participates in β ladder)trans-145.1159.8-178.166-89.8000110.9V39 G40 K54 V58 R88V39-Y56 HydrophobicContact CG1-CD2 4.1Å; V39-Y56 HydrophobicContact CG1-CG 4.41Å; G40-Y56 CarbonylContact O-C 3.11Å; G40-Y56 WeakPolarHBondContact O-CA 3.27Å; K54-Y56 WeakPolarHBondContact CE-O 3.14Å; K54-Y56 WeakPolarHBondContact CG-O 2.94Å; Y56-V58 HydrophobicContact CD2-CG2 3.84Å; Y56-V58 HydrophobicContact CE2-CG2 3.84Å; Y56-R88 HydrophobicContact CD1-CG 4.39Å; Y56-R88 HydrophobicContact CD2-CB 4.16Å; Y56-R88 HydrophobicContact CD2-CG 4.26Å; Y56-R88 HydrophobicContact CE1-CG 4.02Å; Y56-R88 HydrophobicContact CE2-CB 3.72Å; Y56-R88 HydrophobicContact CE2-CG 3.89Å
57F93.8Very high76.8Confident20 Ų2082.7 Ų82.79%0.08845%0.446CS..EExtended strand (participates in β ladder)trans-127.9150.6176.9-58.8-81.6000109V39 G40 L42 K54 E61 A62 K65 L69V39-F57 CarbonylContact C-O 3.58Å; V39-F57 WeakPolarHBondContact CA-O 3.45Å; G40-F57 PolarHBondContact N-O 2.95Å; G40-F57 PolarHBondContact O-N 2.91Å; L42-F57 HydrophobicContact CD2-CE2 4.47Å; K54-F57 HydrophobicContact CB-CE1 4.4Å; K54-F57 HydrophobicContact CB-CZ 4.44Å; K54-F57 HydrophobicContact CD-CD1 4.08Å; K54-F57 HydrophobicContact CD-CE1 3.86Å; K54-F57 HydrophobicContact CG-CE1 4.43Å; F57-E61 HydrophobicContact CD1-CG 3.96Å; F57-E61 WeakPolarHBondContact CD1-OE1 3.35Å; F57-E61 WeakPolarHBondContact CE1-OE1 3.43Å; F57-A62 HydrophobicContact CB-CB 4Å; F57-K65 HydrophobicContact CD1-CD 4.27Å; F57-K65 HydrophobicContact CD2-CD 4.42Å; F57-K65 HydrophobicContact CE1-CD 4.16Å; F57-K65 HydrophobicContact CE2-CD 4.32Å; F57-K65 HydrophobicContact CG-CD 4.37Å; F57-K65 HydrophobicContact CZ-CD 4.18Å; F57-L69 HydrophobicContact CB-CD1 3.93Å; F57-L69 HydrophobicContact CD2-CD1 3.48Å; F57-L69 VanDerWaalsContact CD2-CD1 3.48Å; F57-L69 HydrophobicContact CD2-CD2 3.6Å; F57-L69 HydrophobicContact CD2-CG 4.17Å; F57-L69 HydrophobicContact CE2-CD1 4.35Å; F57-L69 HydrophobicContact CE2-CD2 3.9Å; F57-L69 HydrophobicContact CG-CD1 3.99Å
58V95Very high78.1Confident4 Ų478.5 Ų78.52%0.02442%0.424CS..EExtended strand (participates in β ladder)trans-125.2142.6-175.2-179.60000109.4V35 V39 Y56 E61 L89 H92V35-V58 HydrophobicContact CG1-CG1 4.38Å; V39-V58 HydrophobicContact CG2-CG2 4.38Å; Y56-V58 HydrophobicContact CD2-CG2 3.84Å; Y56-V58 HydrophobicContact CE2-CG2 3.84Å; V58-E61 PolarHBondContact O-N 3.24Å; V58-L89 HydrophobicContact CG1-CD1 3.41Å; V58-L89 VanDerWaalsContact CG1-CD1 3.41Å; V58-H92 HydrophobicContact CB-CB 4.06Å; V58-H92 HydrophobicContact CG1-CB 4Å; V58-H92 HydrophobicContact CG2-CB 3.98Å
59G93.3Very high79.7Confident0 Ų073.3 Ų73.30%039%0.387CS..THydrogen-bonded Turntrans62.4-136.5173.900000113.9S36 I38 E61 A62 L63S36-G59 WeakPolarHBondContact O-CA 3.2Å; I38-G59 PolarHBondContact O-N 3.49Å; G59-E61 PolarHBondContact O-N 2.92Å; G59-A62 WeakPolarHBondContact O-CB 3.47Å; G59-A62 PolarHBondContact O-N 3.4Å; G59-L63 PolarHBondContact O-N 3.34Å
60E89.4Confident81.4Confident84 Ų8476.6 Ų76.639%0.39340%0.395SS..Hα-helixtrans-58.4-33.9-177.5-58.7-51.3126.900112.5S36 A62 L63 Y64S36-E60 WeakPolarHBondContact CB-OE1 3.39Å; S36-E60 PolarHBondContact OG-OE1 2.89Å; E60-A62 PolarHBondContact O-N 3.49Å; E60-L63 PolarHBondContact O-N 3.47Å; E60-L63 VanDerWaalsContact O-N 3.1Å; E60-Y64 HydrophobicContact CB-CD2 4.4Å; E60-Y64 HydrophobicContact CB-CE2 4.02Å; E60-Y64 WeakPolarHBondContact O-CD2 3.34Å; E60-Y64 PolarHBondContact O-N 3.04Å
61E88.9Confident83.1Confident65 Ų6576.5 Ų76.530%0.30438%0.381SS..Hα-helixtrans-61.8-33.7176.9-158.8-168.1166.400111.7K54 F57 V58 G59 K65K54-E61 IonicContact NZ-OE2 3.77Å; K54-E61 PolarHBondContact NZ-OE2 3.22Å; F57-E61 HydrophobicContact CD1-CG 3.96Å; F57-E61 WeakPolarHBondContact CD1-OE1 3.35Å; F57-E61 WeakPolarHBondContact CE1-OE1 3.43Å; V58-E61 PolarHBondContact O-N 3.24Å; G59-E61 PolarHBondContact O-N 2.92Å; E61-K65 IonicContact OE1-NZ 3.36Å; E61-K65 PolarHBondContact OE1-NZ 2.65Å
62A88.8Confident84.7Confident0 Ų074.5 Ų74.50%035%0.353CS..Hα-helixtrans-72.3-39.617500000111.5I38 F57 G59 E60 K65 L66 L69 L71I38-A62 HydrophobicContact CG2-CB 4.43Å; F57-A62 HydrophobicContact CB-CB 4Å; G59-A62 WeakPolarHBondContact O-CB 3.47Å; G59-A62 PolarHBondContact O-N 3.4Å; E60-A62 PolarHBondContact O-N 3.49Å; A62-K65 CarbonylContact O-C 3.57Å; A62-K65 PolarHBondContact O-N 3.42Å; A62-K65 VanDerWaalsContact O-N 3.16Å; A62-L66 PolarHBondContact O-N 2.84Å; A62-L69 HydrophobicContact CB-CD1 4.27Å; A62-L71 HydrophobicContact CB-CD2 3.86Å
63L84.8Confident86.5Confident49 Ų4968.3 Ų68.326%0.25732%0.323SS..Hα-helixtrans-65.3-38.4178.2-66.6175.4000112.3I38 G59 E60 K65 L66 L71I38-L63 HydrophobicContact CD1-CD2 3.96Å; G59-L63 PolarHBondContact O-N 3.34Å; E60-L63 PolarHBondContact O-N 3.47Å; E60-L63 VanDerWaalsContact O-N 3.1Å; L63-K65 PolarHBondContact O-N 2.86Å; L63-K65 VanDerWaalsContact O-N 3.16Å; L63-L66 WeakPolarHBondContact O-CD1 3.4Å; L63-L66 WeakPolarHBondContact O-CG 3.47Å; L63-L66 PolarHBondContact O-N 3.15Å; L63-L71 HydrophobicContact CD2-CD1 3.83Å
64Y84.3Confident88Confident193 Ų19363 Ų6376%0.75730%0.298SS*.THydrogen-bonded Turntrans-67.6-13.9175.2-70.1-58.1000114.1E60E60-Y64 HydrophobicContact CB-CD2 4.4Å; E60-Y64 HydrophobicContact CB-CE2 4.02Å; E60-Y64 WeakPolarHBondContact O-CD2 3.34Å; E60-Y64 PolarHBondContact O-N 3.04Å
65K83.5Confident89.2Confident82 Ų8259 Ų5936%0.35728%0.281SS..THydrogen-bonded Turntrans-118.124.5-176.2-66175.1-177.7168.60112.6F57 E61 A62 L63 E67 A68 L69F57-K65 HydrophobicContact CD1-CD 4.27Å; F57-K65 HydrophobicContact CD2-CD 4.42Å; F57-K65 HydrophobicContact CE1-CD 4.16Å; F57-K65 HydrophobicContact CE2-CD 4.32Å; F57-K65 HydrophobicContact CG-CD 4.37Å; F57-K65 HydrophobicContact CZ-CD 4.18Å; E61-K65 IonicContact OE1-NZ 3.36Å; E61-K65 PolarHBondContact OE1-NZ 2.65Å; A62-K65 CarbonylContact O-C 3.57Å; A62-K65 PolarHBondContact O-N 3.42Å; A62-K65 VanDerWaalsContact O-N 3.16Å; L63-K65 PolarHBondContact O-N 2.86Å; L63-K65 VanDerWaalsContact O-N 3.16Å; K65-E67 VanDerWaalsContact C-N 3.25Å; K65-E67 PolarHBondContact O-N 3.29Å; K65-E67 VanDerWaalsContact O-N 3.12Å; K65-A68 PolarHBondContact O-N 2.86Å; K65-L69 HydrophobicContact CB-CD1 3.55Å; K65-L69 HydrophobicContact CB-CG 3.98Å; K65-L69 VanDerWaalsContact O-CG 3.31Å; K65-L69 WeakPolarHBondContact O-CG 3.1Å; K65-L69 PolarHBondContact O-N 2.96Å
66L77.4Confident89.9Confident32 Ų3256.7 Ų56.717%0.16827%0.272CS..THydrogen-bonded Turntrans-46.3-41.3-178.4-85.8160.7000114.7K43 A62 L63 A68 L69 L71K43-L66 PolarHBondContact NZ-O 2.95Å; A62-L66 PolarHBondContact O-N 2.84Å; L63-L66 WeakPolarHBondContact O-CD1 3.4Å; L63-L66 WeakPolarHBondContact O-CG 3.47Å; L63-L66 PolarHBondContact O-N 3.15Å; L66-A68 VanDerWaalsContact C-N 3.3Å; L66-A68 PolarHBondContact O-N 2.98Å; L66-L69 PolarHBondContact O-N 2.83Å; L66-L71 HydrophobicContact CD2-CD1 3.18Å; L66-L71 HydrophobicContact CD2-CG 3.86Å; L66-L71 HydrophobicContact CG-CD1 4.2Å
67E81.2Confident90.1Very high167 Ų16758.6 Ų58.678%0.7828%0.279SS*.THydrogen-bonded Turntrans-62-40.1-177.4-63.6-174.4162.600112K43 K65K43-E67 PolarHBondContact NZ-O 2.89Å; K65-E67 VanDerWaalsContact C-N 3.25Å; K65-E67 PolarHBondContact O-N 3.29Å; K65-E67 VanDerWaalsContact O-N 3.12Å
68A84.4Confident90.1Very high56 Ų5658 Ų5846%0.46328%0.279SS..THydrogen-bonded Turntrans-88.6-14.8-176.700000113.9K43 K65 L66K43-A68 PolarHBondContact N-O 2.94Å; K43-A68 VanDerWaalsContact N-O 3.12Å; K65-A68 PolarHBondContact O-N 2.86Å; L66-A68 VanDerWaalsContact C-N 3.3Å; L66-A68 PolarHBondContact O-N 2.98Å
69L88.1Confident90.2Very high4 Ų460.5 Ų60.52%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-115.7142.6-169.9-58.1179.3000112.9H41 L42 K43 F57 A62 K65 L66 L71H41-L69 CarbonylContact O-C 3.57Å; H41-L69 VanDerWaalsContact O-CA 3.25Å; H41-L69 WeakPolarHBondContact O-CA 3.48Å; L42-L69 HydrophobicContact CD2-CD2 3.7Å; L42-L69 HydrophobicContact CG-CD2 4.05Å; K43-L69 WeakPolarHBondContact CE-O 3.34Å; K43-L69 PolarHBondContact NZ-O 3.05Å; F57-L69 HydrophobicContact CB-CD1 3.93Å; F57-L69 HydrophobicContact CD2-CD1 3.48Å; F57-L69 VanDerWaalsContact CD2-CD1 3.48Å; F57-L69 HydrophobicContact CD2-CD2 3.6Å; F57-L69 HydrophobicContact CD2-CG 4.17Å; F57-L69 HydrophobicContact CE2-CD1 4.35Å; F57-L69 HydrophobicContact CE2-CD2 3.9Å; F57-L69 HydrophobicContact CG-CD1 3.99Å; A62-L69 HydrophobicContact CB-CD1 4.27Å; K65-L69 HydrophobicContact CB-CD1 3.55Å; K65-L69 HydrophobicContact CB-CG 3.98Å; K65-L69 VanDerWaalsContact O-CG 3.31Å; K65-L69 WeakPolarHBondContact O-CG 3.1Å; K65-L69 PolarHBondContact O-N 2.96Å; L66-L69 PolarHBondContact O-N 2.83Å; L69-L71 HydrophobicContact CB-CD2 4.19Å
70Q90.2Very high90.4Very high110 Ų11061.2 Ų61.251%0.51430%0.295SS..EExtended strand (participates in β ladder)trans-89.6116.7161.7-175.51764.300107.8G40 H41 K43G40-Q70 WeakPolarHBondContact CA-O 3.37Å; H41-Q70 PolarHBondContact N-O 2.87Å; H41-Q70 PolarHBondContact O-N 3.05Å; K43-Q70 HydrophobicContact CG-CB 4.18Å
71L91.6Very high90.8Very high56 Ų5660.9 Ų60.929%0.29330%0.299SS..EExtended strand (participates in β ladder)trans-88.7131.1-178.2-61.4-168.8000111.6I38 A62 L63 L66 L69I38-L71 HydrophobicContact CG2-CB 3.91Å; I38-L71 HydrophobicContact CG2-CD1 4.04Å; I38-L71 HydrophobicContact CG2-CD2 3.89Å; I38-L71 HydrophobicContact CG2-CG 4.17Å; A62-L71 HydrophobicContact CB-CD2 3.86Å; L63-L71 HydrophobicContact CD2-CD1 3.83Å; L66-L71 HydrophobicContact CD2-CD1 3.18Å; L66-L71 HydrophobicContact CD2-CG 3.86Å; L66-L71 HydrophobicContact CG-CD1 4.2Å; L69-L71 HydrophobicContact CB-CD2 4.19Å
72H94.5Very high91.2Very high67 Ų6758.8 Ų58.831%0.3130%0.295SS..EExtended strand (participates in β ladder)trans-118.2137.2174.1-62.1176.1000109.9I38 V39 H41 D85I38-H72 WeakPolarHBondContact CA-O 3.34Å; V39-H72 PolarHBondContact N-O 2.66Å; V39-H72 PolarHBondContact O-N 3.13Å; H41-H72 AromaticContact CD2-CE1 3.66Å; H41-H72 AromaticContact CD2-CG 3.94Å; H41-H72 AromaticContact CD2-ND1 3.39Å; H41-H72 PolarHBondContact CD2-ND1 3.22Å; H41-H72 AromaticContact NE2-ND1 3.71Å; H72-D85 VanDerWaalsContact CB-OD2 3.28Å; H72-D85 WeakPolarHBondContact CB-OD2 3.32Å; H72-D85 IonicContact CG-OD2 3.15Å; H72-D85 IonicContact ND1-OD2 3.93Å; H72-D85 PolarHBondContact ND1-OD2 3.38Å; H72-D85 VanDerWaalsContact ND1-OD2 3.1Å
73S95.5Very high91.6Very high37 Ų3761.5 Ų61.526%0.25931%0.305SS..  trans-99.8109.8170.9-620000108.7I75S73-I75 PolarHBondContact O-N 2.96Å
74P97.4Very high92.2Very high1 Ų164.4 Ų64.41%0.00632%0.321CS..SBendtrans-69-16.3-179.326.1-34.2000113.7S37 I80 T81 G82 D85 M86 L89S37-P74 WeakPolarHBondContact O-CD 3.5Å; P74-I80 CarbonylContact O-C 3.49Å; P74-I80 WeakPolarHBondContact O-CA 3.29Å; P74-T81 PolarHBondContact O-N 3.08Å; P74-T81 PolarHBondContact O-OG1 3.04Å; P74-G82 WeakPolarHBondContact CB-O 3.44Å; P74-G82 PolarHBondContact O-N 2.86Å; P74-D85 HydrophobicContact CB-CB 3.88Å; P74-D85 HydrophobicContact CG-CB 4.37Å; P74-M86 HydrophobicContact CB-CB 4.06Å; P74-M86 HydrophobicContact CB-SD 4.12Å; P74-M86 HydrophobicContact CG-SD 4.11Å; P74-L89 HydrophobicContact CG-CD2 4.36Å
75I97.8Very high92.8Very high1 Ų155.8 Ų55.81%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-117.6115.4178.8-55.3170.7000109.2N16 S73 L79 I80 M86N16-I75 HydrophobicContact CB-CD1 3.98Å; S73-I75 PolarHBondContact O-N 2.96Å; I75-L79 CarbonylContact C-O 3.48Å; I75-L79 VanDerWaalsContact CA-O 3.32Å; I75-L79 WeakPolarHBondContact CA-O 3.39Å; I75-I80 HydrophobicContact CG1-CG1 4.06Å; I75-M86 HydrophobicContact CD1-CE 3.9Å; I75-M86 HydrophobicContact CD1-SD 3.8Å; I75-M86 HydrophobicContact CG1-CE 4.47Å; I75-M86 HydrophobicContact CG1-SD 3.72Å
76E96.3Very high93.5Very high106 Ų10651.9 Ų51.950%0.49527%0.271SS..EExtended strand (participates in β ladder)trans-114.1122.4176.4-67.9-175.9-179.300110.1G78 L79 T81E76-G78 PolarHBondContact O-N 2.97Å; E76-G78 VanDerWaalsContact O-N 3.09Å; E76-L79 PolarHBondContact N-O 3.24Å; E76-L79 PolarHBondContact O-N 3.48Å; E76-T81 HydrophobicContact CB-CG2 3.97Å; E76-T81 HydrophobicContact CG-CG2 4.37Å
77R95.3Very high94.5Very high97 Ų9753.4 Ų53.437%0.36628%0.278SS..THydrogen-bonded Turntrans49.738.5179-53.6-163.5172.8-82.27.1113.5G162 H183 D188R77-G162 WeakPolarHBondContact CG-O 3.4Å; R77-G162 PolarHBondContact NH1-O 2.8Å; R77-G162 VanDerWaalsContact NH1-O 3.16Å; R77-H183 PolarHBondContact NH1-O 2.63Å; R77-D188 IonicContact CZ-OD1 3.7Å; R77-D188 IonicContact NH1-OD1 2.71Å; R77-D188 PolarHBondContact NH1-OD1 2.91Å; R77-D188 IonicContact NH1-OD2 2.89Å; R77-D188 PolarHBondContact NH1-OD2 2.79Å; R77-D188 VanDerWaalsContact NH1-OD2 3.15Å; R77-D188 IonicContact NH2-OD1 2.76Å; R77-D188 PolarHBondContact NH2-OD1 2.9Å
78G94.6Very high95.3Very high8 Ų849.1 Ų49.18%0.08225%0.254CS..THydrogen-bonded Turntrans89.8-11.2178.500000114.7S18 E76 P112S18-G78 WeakPolarHBondContact OG-CA 3.38Å; S18-G78 PolarHBondContact OG-N 2.74Å; E76-G78 PolarHBondContact O-N 2.97Å; E76-G78 VanDerWaalsContact O-N 3.09Å; G78-P112 WeakPolarHBondContact O-CD 3.49Å; G78-P112 VanDerWaalsContact O-CG 3.29Å; G78-P112 WeakPolarHBondContact O-CG 3.27Å
79L97.4Very high95.9Very high56 Ų5646.4 Ų46.429%0.29323%0.232SC..EExtended strand (participates in β ladder)trans-102136.4-177.5-59.8178.8000110.8I75 E76 T81 P112 P116I75-L79 CarbonylContact C-O 3.48Å; I75-L79 VanDerWaalsContact CA-O 3.32Å; I75-L79 WeakPolarHBondContact CA-O 3.39Å; E76-L79 PolarHBondContact N-O 3.24Å; E76-L79 PolarHBondContact O-N 3.48Å; L79-T81 PolarHBondContact O-N 3.43Å; L79-P112 HydrophobicContact CD2-CG 4.07Å; L79-P116 HydrophobicContact CD2-CG 4.45Å
80I98Very high96.4Very high15 Ų1546.2 Ų46.28%0.07723%0.231CC..EExtended strand (participates in β ladder)trans-70.2119.3170.2-62.9164000108.2P74 I75 W83 M86 W90 M123P74-I80 CarbonylContact O-C 3.49Å; P74-I80 WeakPolarHBondContact O-CA 3.29Å; I75-I80 HydrophobicContact CG1-CG1 4.06Å; I80-W83 HydrophobicContact CB-CH2 4.32Å; I80-W83 HydrophobicContact CB-CZ2 4.17Å; I80-W83 HydrophobicContact CD1-CH2 3.98Å; I80-W83 HydrophobicContact CD1-CZ3 4.08Å; I80-W83 HydrophobicContact CG2-CD2 3.8Å; I80-W83 HydrophobicContact CG2-CE3 3.98Å; I80-W83 HydrophobicContact CG2-CG 4.29Å; I80-W83 HydrophobicContact CG2-CH2 4.2Å; I80-W83 HydrophobicContact CG2-CZ2 4.02Å; I80-W83 HydrophobicContact CG2-CZ3 4.19Å; I80-M86 HydrophobicContact CD1-CG 3.99Å; I80-M86 HydrophobicContact CD1-SD 4.35Å; I80-M86 HydrophobicContact CG1-CG 4.21Å; I80-M86 HydrophobicContact CG1-SD 4.16Å; I80-M86 HydrophobicContact CG2-CB 3.99Å; I80-M86 HydrophobicContact CG2-CG 4.12Å; I80-W90 HydrophobicContact CD1-CH2 3.91Å; I80-W90 HydrophobicContact CD1-CZ2 4.04Å; I80-M123 HydrophobicContact CD1-CE 3.51Å
81T96.4Very high96.7Very high76 Ų7645.1 Ų45.147%0.46622%0.224SC..  trans-111.4-30.2177.354.80000111.7P74 E76 L79P74-T81 PolarHBondContact O-N 3.08Å; P74-T81 PolarHBondContact O-OG1 3.04Å; E76-T81 HydrophobicContact CB-CG2 3.97Å; E76-T81 HydrophobicContact CG-CG2 4.37Å; L79-T81 PolarHBondContact O-N 3.43Å
82G97.4Very high96.9Very high22 Ų2243.3 Ų43.323%0.22721%0.214CC..  trans-112.387.7179.400000112.7P74 D84 D85 M86P74-G82 WeakPolarHBondContact CB-O 3.44Å; P74-G82 PolarHBondContact O-N 2.86Å; G82-D84 PolarHBondContact O-N 2.91Å; G82-D85 PolarHBondContact O-N 3.26Å; G82-M86 WeakPolarHBondContact O-CB 3.38Å; G82-M86 PolarHBondContact O-N 2.78Å
83W97.7Very high97.1Very high56 Ų5640.1 Ų40.121%0.21220%0.2CC..Hα-helixtrans-62.7-41.4-176.2-72.898.5000114.1I80 D85 M86 E87 W90 N119 K122 M123 V126I80-W83 HydrophobicContact CB-CH2 4.32Å; I80-W83 HydrophobicContact CB-CZ2 4.17Å; I80-W83 HydrophobicContact CD1-CH2 3.98Å; I80-W83 HydrophobicContact CD1-CZ3 4.08Å; I80-W83 HydrophobicContact CG2-CD2 3.8Å; I80-W83 HydrophobicContact CG2-CE3 3.98Å; I80-W83 HydrophobicContact CG2-CG 4.29Å; I80-W83 HydrophobicContact CG2-CH2 4.2Å; I80-W83 HydrophobicContact CG2-CZ2 4.02Å; I80-W83 HydrophobicContact CG2-CZ3 4.19Å; W83-D85 VanDerWaalsContact C-N 3.3Å; W83-D85 PolarHBondContact O-N 3.08Å; W83-M86 PolarHBondContact O-N 2.96Å; W83-E87 PolarHBondContact O-N 3.21Å; W83-W90 HydrophobicContact CZ3-CH2 4.11Å; W83-W90 HydrophobicContact CZ3-CZ3 4.4Å; W83-N119 WeakPolarHBondContact CH2-O 3.48Å; W83-N119 HydrophobicContact CZ2-CB 4.2Å; W83-K122 HydrophobicContact CD2-CG 3.62Å; W83-K122 HydrophobicContact CE3-CG 3.67Å; W83-K122 HydrophobicContact CG-CG 4.38Å; W83-K122 HydrophobicContact CH2-CB 3.66Å; W83-K122 HydrophobicContact CH2-CG 3.72Å; W83-K122 HydrophobicContact CZ2-CB 3.66Å; W83-K122 HydrophobicContact CZ2-CG 3.66Å; W83-K122 HydrophobicContact CZ3-CB 4.1Å; W83-K122 HydrophobicContact CZ3-CG 3.71Å; W83-M123 HydrophobicContact CH2-CB 4.24Å; W83-M123 HydrophobicContact CZ3-CB 4.34Å; W83-V126 HydrophobicContact CE3-CG2 4.42Å
84D96.9Very high97.1Very high111 Ų11138.4 Ų38.459%0.59419%0.188SC*.Hα-helixtrans-61.4-40.4177.6-68.8-4.6000111.8G82 R88G82-D84 PolarHBondContact O-N 2.91Å; D84-R88 VanDerWaalsContact O-CG 3.26Å; D84-R88 WeakPolarHBondContact O-CG 3.43Å; D84-R88 PolarHBondContact O-N 3.42Å
85D97.6Very high97Very high12 Ų1243.2 Ų43.26%0.06421%0.21CC..Hα-helixtrans-75.3-32.8177.9-76.6-22.5000111.4V39 H41 H72 P74 G82 W83 R88 L89V39-D85 HydrophobicContact CB-CB 4.05Å; V39-D85 HydrophobicContact CG2-CB 3.84Å; V39-D85 WeakPolarHBondContact CG2-O 3.48Å; H41-D85 IonicContact CE1-OD1 2.81Å; H41-D85 PolarHBondContact CE1-OD1 2.77Å; H41-D85 IonicContact NE2-OD1 2.79Å; H41-D85 PolarHBondContact NE2-OD1 2.99Å; H41-D85 IonicContact NE2-OD2 2.81Å; H41-D85 PolarHBondContact NE2-OD2 3.13Å; H72-D85 VanDerWaalsContact CB-OD2 3.28Å; H72-D85 WeakPolarHBondContact CB-OD2 3.32Å; H72-D85 IonicContact CG-OD2 3.15Å; H72-D85 IonicContact ND1-OD2 3.93Å; H72-D85 PolarHBondContact ND1-OD2 3.38Å; H72-D85 VanDerWaalsContact ND1-OD2 3.1Å; P74-D85 HydrophobicContact CB-CB 3.88Å; P74-D85 HydrophobicContact CG-CB 4.37Å; G82-D85 PolarHBondContact O-N 3.26Å; W83-D85 VanDerWaalsContact C-N 3.3Å; W83-D85 PolarHBondContact O-N 3.08Å; D85-R88 PolarHBondContact O-N 3.04Å; D85-R88 IonicContact OD1-CZ 2.82Å; D85-R88 IonicContact OD1-NH1 2.55Å; D85-R88 PolarHBondContact OD1-NH1 3.38Å; D85-L89 PolarHBondContact O-N 2.95Å
86M98.2Very high96.8Very high0 Ų051.6 Ų51.60%024%0.241CC..Hα-helixtrans-64.8-43.1172.9-162.867.8-153.700111.9N16 P74 I75 I80 G82 W83 R88 L89 W90N16-M86 HydrophobicContact CB-CE 4.35Å; N16-M86 VanDerWaalsContact OD1-CE 3.28Å; N16-M86 WeakPolarHBondContact OD1-CE 3.31Å; P74-M86 HydrophobicContact CB-CB 4.06Å; P74-M86 HydrophobicContact CB-SD 4.12Å; P74-M86 HydrophobicContact CG-SD 4.11Å; I75-M86 HydrophobicContact CD1-CE 3.9Å; I75-M86 HydrophobicContact CD1-SD 3.8Å; I75-M86 HydrophobicContact CG1-CE 4.47Å; I75-M86 HydrophobicContact CG1-SD 3.72Å; I80-M86 HydrophobicContact CD1-CG 3.99Å; I80-M86 HydrophobicContact CD1-SD 4.35Å; I80-M86 HydrophobicContact CG1-CG 4.21Å; I80-M86 HydrophobicContact CG1-SD 4.16Å; I80-M86 HydrophobicContact CG2-CB 3.99Å; I80-M86 HydrophobicContact CG2-CG 4.12Å; G82-M86 WeakPolarHBondContact O-CB 3.38Å; G82-M86 PolarHBondContact O-N 2.78Å; W83-M86 PolarHBondContact O-N 2.96Å; M86-R88 VanDerWaalsContact C-N 3.33Å; M86-R88 PolarHBondContact O-N 3.36Å; M86-L89 HydrophobicContact CE-CD2 3.98Å; M86-L89 WeakPolarHBondContact O-CB 3.25Å; M86-L89 PolarHBondContact O-N 2.8Å; M86-L89 HydrophobicContact SD-CD2 4.17Å; M86-W90 HydrophobicContact CB-CH2 4.43Å; M86-W90 HydrophobicContact CB-CZ3 4.29Å; M86-W90 HydrophobicContact CE-CD2 4.04Å; M86-W90 HydrophobicContact CE-CG 4.4Å; M86-W90 HydrophobicContact CE-CH2 4.36Å; M86-W90 HydrophobicContact CE-CZ2 3.44Å; M86-W90 VanDerWaalsContact CE-CZ2 3.44Å; M86-W90 HydrophobicContact CG-CD2 3.97Å; M86-W90 HydrophobicContact CG-CE3 3.91Å; M86-W90 HydrophobicContact CG-CH2 3.43Å; M86-W90 VanDerWaalsContact CG-CH2 3.43Å; M86-W90 HydrophobicContact CG-CZ2 3.5Å; M86-W90 VanDerWaalsContact CG-CZ2 3.5Å; M86-W90 HydrophobicContact CG-CZ3 3.64Å; M86-W90 PolarHBondContact O-N 2.81Å; M86-W90 HydrophobicContact SD-CZ2 4.27Å
87E97.9Very high96.7Very high64 Ų6449.3 Ų49.330%0.29923%0.231SC..Hα-helixtrans-63.2-39.6176-172.9175.3163.200111.5W83 W90 K91 V126 N130 F131W83-E87 PolarHBondContact O-N 3.21Å; E87-W90 PolarHBondContact O-N 2.79Å; E87-K91 VanDerWaalsContact O-CB 3.25Å; E87-K91 WeakPolarHBondContact O-CB 3.31Å; E87-K91 PolarHBondContact O-N 3.2Å; E87-V126 HydrophobicContact CG-CG1 4.4Å; E87-N130 PolarHBondContact OE1-ND2 2.93Å; E87-N130 PolarHBondContact OE2-ND2 3.43Å; E87-F131 HydrophobicContact CG-CE2 3.96Å; E87-F131 HydrophobicContact CG-CZ 3.85Å
88R97.1Very high96.8Very high76 Ų7645.4 Ų45.429%0.28722%0.217SC..Hα-helixtrans-62.1-41.4172.9-71.5167.8-173135.47.5112.2H41 Y56 D84 D85 M86 H92H41-R88 PolarHBondContact CE1-NH1 3.45Å; Y56-R88 HydrophobicContact CD1-CG 4.39Å; Y56-R88 HydrophobicContact CD2-CB 4.16Å; Y56-R88 HydrophobicContact CD2-CG 4.26Å; Y56-R88 HydrophobicContact CE1-CG 4.02Å; Y56-R88 HydrophobicContact CE2-CB 3.72Å; Y56-R88 HydrophobicContact CE2-CG 3.89Å; D84-R88 VanDerWaalsContact O-CG 3.26Å; D84-R88 WeakPolarHBondContact O-CG 3.43Å; D84-R88 PolarHBondContact O-N 3.42Å; D85-R88 PolarHBondContact O-N 3.04Å; D85-R88 IonicContact OD1-CZ 2.82Å; D85-R88 IonicContact OD1-NH1 2.55Å; D85-R88 PolarHBondContact OD1-NH1 3.38Å; M86-R88 VanDerWaalsContact C-N 3.33Å; M86-R88 PolarHBondContact O-N 3.36Å; R88-H92 WeakPolarHBondContact O-CB 3.43Å; R88-H92 PolarHBondContact O-N 2.78Å
89L97.8Very high96.8Very high0 Ų048.1 Ų48.10%025%0.245CC..Hα-helixtrans-63-51175.9175.661.2000111.1C21 V35 V58 P74 D85 M86 K91 H92 L93C21-L89 HydrophobicContact CB-CD2 4.28Å; V35-L89 HydrophobicContact CG1-CD1 4.35Å; V58-L89 HydrophobicContact CG1-CD1 3.41Å; V58-L89 VanDerWaalsContact CG1-CD1 3.41Å; P74-L89 HydrophobicContact CG-CD2 4.36Å; D85-L89 PolarHBondContact O-N 2.95Å; M86-L89 HydrophobicContact CE-CD2 3.98Å; M86-L89 WeakPolarHBondContact O-CB 3.25Å; M86-L89 PolarHBondContact O-N 2.8Å; M86-L89 HydrophobicContact SD-CD2 4.17Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 2.97Å; L89-H92 WeakPolarHBondContact O-CB 3.37Å; L89-H92 PolarHBondContact O-N 2.88Å; L89-H92 VanDerWaalsContact O-N 3.13Å; L89-L93 HydrophobicContact CD1-CD1 4.46Å; L89-L93 HydrophobicContact CD1-CG 4.43Å; L89-L93 HydrophobicContact CG-CD1 4.34Å; L89-L93 WeakPolarHBondContact O-CG 3.37Å; L89-L93 PolarHBondContact O-N 3.2Å
90W98.2Very high96.6Very high0 Ų046.4 Ų46.40%024%0.237CC..Hα-helixtrans-61.6-40.8177.5-70.7-40.4000112.7F14 N16 I80 W83 M86 E87 H92 L93 F94 M123 V126 M127 F131F14-W90 AromaticContact CD2-CD1 3.42Å; F14-W90 VanDerWaalsContact CD2-CD1 3.42Å; F14-W90 HydrophobicContact CD2-CG 4.25Å; F14-W90 AromaticContact CD2-NE1 3.81Å; F14-W90 HydrophobicContact CE2-CB 4.26Å; F14-W90 AromaticContact CE2-CD1 3.67Å; F14-W90 HydrophobicContact CE2-CG 4.17Å; N16-W90 PolarHBondContact OD1-NE1 3.14Å; I80-W90 HydrophobicContact CD1-CH2 3.91Å; I80-W90 HydrophobicContact CD1-CZ2 4.04Å; W83-W90 HydrophobicContact CZ3-CH2 4.11Å; W83-W90 HydrophobicContact CZ3-CZ3 4.4Å; M86-W90 HydrophobicContact CB-CH2 4.43Å; M86-W90 HydrophobicContact CB-CZ3 4.29Å; M86-W90 HydrophobicContact CE-CD2 4.04Å; M86-W90 HydrophobicContact CE-CG 4.4Å; M86-W90 HydrophobicContact CE-CH2 4.36Å; M86-W90 HydrophobicContact CE-CZ2 3.44Å; M86-W90 VanDerWaalsContact CE-CZ2 3.44Å; M86-W90 HydrophobicContact CG-CD2 3.97Å; M86-W90 HydrophobicContact CG-CE3 3.91Å; M86-W90 HydrophobicContact CG-CH2 3.43Å; M86-W90 VanDerWaalsContact CG-CH2 3.43Å; M86-W90 HydrophobicContact CG-CZ2 3.5Å; M86-W90 VanDerWaalsContact CG-CZ2 3.5Å; M86-W90 HydrophobicContact CG-CZ3 3.64Å; M86-W90 PolarHBondContact O-N 2.81Å; M86-W90 HydrophobicContact SD-CZ2 4.27Å; E87-W90 PolarHBondContact O-N 2.79Å; W90-H92 VanDerWaalsContact C-N 3.3Å; W90-H92 PolarHBondContact O-N 3.48Å; W90-L93 PolarHBondContact O-N 2.96Å; W90-F94 VanDerWaalsContact O-CD2 3.27Å; W90-F94 WeakPolarHBondContact O-CD2 3.36Å; W90-F94 PolarHBondContact O-N 3.5Å; W90-M123 HydrophobicContact CH2-CE 4.48Å; W90-M123 HydrophobicContact CH2-CG 3.83Å; W90-M123 HydrophobicContact CH2-SD 4.46Å; W90-M123 HydrophobicContact CZ2-CE 4.35Å; W90-M123 HydrophobicContact CZ2-CG 4.17Å; W90-M123 HydrophobicContact CZ2-SD 4.26Å; W90-V126 HydrophobicContact CE3-CG1 4.12Å; W90-V126 HydrophobicContact CZ3-CB 4.46Å; W90-V126 HydrophobicContact CZ3-CG1 3.9Å; W90-M127 HydrophobicContact CD2-CE 3.36Å; W90-M127 VanDerWaalsContact CE2-CE 3.42Å; W90-M127 HydrophobicContact CE3-CE 3.58Å; W90-M127 HydrophobicContact CG-CE 3.89Å; W90-M127 HydrophobicContact CH2-CE 3.94Å; W90-M127 HydrophobicContact CZ2-CE 3.72Å; W90-M127 HydrophobicContact CZ3-CE 3.87Å; W90-F131 HydrophobicContact CB-CE2 4.04Å; W90-F131 HydrophobicContact CB-CZ 3.74Å; W90-F131 HydrophobicContact CE3-CE2 4.11Å
91K97.1Very high96.5Very high86 Ų8651.8 Ų51.837%0.37426%0.26SS..Hα-helixtrans-59-43.6174.1-175.5175.6-176.2173.20111.5E87 L89 F94 E95 F131E87-K91 VanDerWaalsContact O-CB 3.25Å; E87-K91 WeakPolarHBondContact O-CB 3.31Å; E87-K91 PolarHBondContact O-N 3.2Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 2.97Å; K91-F94 PolarHBondContact O-N 3.22Å; K91-E95 WeakPolarHBondContact CE-OE1 3.35Å; K91-E95 WeakPolarHBondContact CE-OE2 3.4Å; K91-E95 HydrophobicContact CG-CG 4.27Å; K91-E95 IonicContact NZ-OE1 2.68Å; K91-E95 WeakPolarHBondContact O-CB 3.33Å; K91-E95 WeakPolarHBondContact O-CG 3.31Å; K91-E95 PolarHBondContact O-N 3.21Å; K91-F131 HydrophobicContact CB-CE1 4.09Å; K91-F131 HydrophobicContact CB-CZ 4.29Å
92H96.4Very high96.4Very high18 Ų1849.2 Ų49.28%0.08324%0.244CC..Hα-helixtrans-60.9-44.5175.5-179.488.2000112.1V58 R88 L89 W90 W96 E97V58-H92 HydrophobicContact CB-CB 4.06Å; V58-H92 HydrophobicContact CG1-CB 4Å; V58-H92 HydrophobicContact CG2-CB 3.98Å; R88-H92 WeakPolarHBondContact O-CB 3.43Å; R88-H92 PolarHBondContact O-N 2.78Å; L89-H92 WeakPolarHBondContact O-CB 3.37Å; L89-H92 PolarHBondContact O-N 2.88Å; L89-H92 VanDerWaalsContact O-N 3.13Å; W90-H92 VanDerWaalsContact C-N 3.3Å; W90-H92 PolarHBondContact O-N 3.48Å; H92-W96 AromaticContact ND1-CD1 3.63Å; H92-W96 WeakPolarHBondContact O-CB 3.48Å; H92-W96 PolarHBondContact O-N 2.97Å; H92-E97 IonicContact CD2-OE1 2.76Å; H92-E97 IonicContact CE1-OE1 3.05Å; H92-E97 IonicContact NE2-OE1 3.33Å; H92-E97 PolarHBondContact NE2-OE1 3.36Å; H92-E97 PolarHBondContact O-N 3.3Å
93L97.4Very high96.3Very high0 Ų050.1 Ų50.10%025%0.247CC..Iπ-helixtrans-62.7-43178-66.5171.8000112.6F14 C21 A23 V35 L89 W90 E97 L98F14-L93 HydrophobicContact CD1-CD1 4.13Å; F14-L93 HydrophobicContact CE1-CB 3.77Å; F14-L93 HydrophobicContact CE1-CD1 4.1Å; F14-L93 HydrophobicContact CZ-CB 3.86Å; F14-L93 HydrophobicContact CZ-CD1 4.44Å; C21-L93 HydrophobicContact CB-CD1 4.41Å; C21-L93 WeakPolarHBondContact SG-CD1 3.22Å; A23-L93 HydrophobicContact CB-CD1 4.46Å; A23-L93 HydrophobicContact CB-CD2 3.97Å; V35-L93 HydrophobicContact CB-CD2 4.19Å; V35-L93 HydrophobicContact CG2-CD2 3.73Å; L89-L93 HydrophobicContact CD1-CD1 4.46Å; L89-L93 HydrophobicContact CD1-CG 4.43Å; L89-L93 HydrophobicContact CG-CD1 4.34Å; L89-L93 WeakPolarHBondContact O-CG 3.37Å; L89-L93 PolarHBondContact O-N 3.2Å; W90-L93 PolarHBondContact O-N 2.96Å; L93-E97 HydrophobicContact CD2-CB 4.49Å; L93-E97 HydrophobicContact CD2-CG 4.08Å; L93-L98 WeakPolarHBondContact O-CB 3.45Å; L93-L98 WeakPolarHBondContact O-CG 3.26Å; L93-L98 PolarHBondContact O-N 2.86Å
94F97.1Very high96.1Very high2 Ų251.5 Ų51.51%0.00926%0.259CS..Iπ-helixtrans-67.6-52.5177.4-81.6-63.3000112.6V12 F14 W90 K91 G99 V100 P102 L107 F131V12-F94 HydrophobicContact CB-CE1 4.28Å; V12-F94 HydrophobicContact CG1-CE1 4.01Å; V12-F94 HydrophobicContact CG2-CE1 4.06Å; F14-F94 AromaticContact CE2-CD2 3.89Å; F14-F94 HydrophobicContact CE2-CD2 3.89Å; F14-F94 HydrophobicContact CE2-CE1 4.2Å; F14-F94 AromaticContact CE2-CE2 3.38Å; F14-F94 HydrophobicContact CE2-CE2 3.38Å; F14-F94 HydrophobicContact CE2-CG 4.49Å; F14-F94 AromaticContact CE2-CZ 3.56Å; F14-F94 HydrophobicContact CE2-CZ 3.56Å; F14-F94 AromaticContact CZ-CD1 3.96Å; F14-F94 HydrophobicContact CZ-CD1 3.96Å; F14-F94 AromaticContact CZ-CD2 3.77Å; F14-F94 HydrophobicContact CZ-CD2 3.77Å; F14-F94 AromaticContact CZ-CE1 3.81Å; F14-F94 HydrophobicContact CZ-CE1 3.81Å; F14-F94 AromaticContact CZ-CE2 3.64Å; F14-F94 HydrophobicContact CZ-CE2 3.64Å; F14-F94 AromaticContact CZ-CG 3.93Å; F14-F94 HydrophobicContact CZ-CG 3.93Å; F14-F94 AromaticContact CZ-CZ 3.65Å; F14-F94 HydrophobicContact CZ-CZ 3.65Å; W90-F94 VanDerWaalsContact O-CD2 3.27Å; W90-F94 WeakPolarHBondContact O-CD2 3.36Å; W90-F94 PolarHBondContact O-N 3.5Å; K91-F94 PolarHBondContact O-N 3.22Å; F94-G99 PolarHBondContact O-N 3.44Å; F94-V100 PolarHBondContact O-N 3.18Å; F94-P102 HydrophobicContact CB-CG 3.99Å; F94-P102 HydrophobicContact CD1-CB 4.11Å; F94-P102 HydrophobicContact CD1-CG 3.86Å; F94-P102 HydrophobicContact CD2-CB 4.2Å; F94-P102 HydrophobicContact CD2-CG 3.74Å; F94-P102 HydrophobicContact CE1-CB 3.93Å; F94-P102 HydrophobicContact CE1-CG 4.19Å; F94-P102 HydrophobicContact CE2-CB 4Å; F94-P102 HydrophobicContact CE2-CG 4.07Å; F94-P102 HydrophobicContact CG-CB 4.25Å; F94-P102 HydrophobicContact CG-CG 3.63Å; F94-P102 HydrophobicContact CZ-CB 3.87Å; F94-P102 HydrophobicContact CZ-CG 4.29Å; F94-L107 HydrophobicContact CZ-CD1 4.1Å; F94-L107 HydrophobicContact CZ-CD2 4.11Å; F94-F131 AromaticContact CD2-CD1 3.95Å; F94-F131 HydrophobicContact CD2-CD1 3.95Å; F94-F131 HydrophobicContact CD2-CE1 4.02Å; F94-F131 HydrophobicContact CE2-CD1 4.04Å; F94-F131 HydrophobicContact CE2-CE1 4.39Å; F94-F131 HydrophobicContact CE2-CG 4.24Å
95E93.9Very high95.9Very high101 Ų10147.7 Ų47.747%0.47224%0.237SC..Iπ-helixtrans-80.2-45.2-168.9-66.8-178.8170.400113K91K91-E95 WeakPolarHBondContact CE-OE1 3.35Å; K91-E95 WeakPolarHBondContact CE-OE2 3.4Å; K91-E95 HydrophobicContact CG-CG 4.27Å; K91-E95 IonicContact NZ-OE1 2.68Å; K91-E95 WeakPolarHBondContact O-CB 3.33Å; K91-E95 WeakPolarHBondContact O-CG 3.31Å; K91-E95 PolarHBondContact O-N 3.21Å
96W93.2Very high95.9Very high177 Ų17747.1 Ų47.167%0.6723%0.234SC*.Iπ-helixtrans-99.5-41.7-169.2-64.9104.8000113.2H92H92-W96 AromaticContact ND1-CD1 3.63Å; H92-W96 WeakPolarHBondContact O-CB 3.48Å; H92-W96 PolarHBondContact O-N 2.97Å
97E95Very high95.9Very high59 Ų5947.2 Ų47.228%0.27624%0.235SC..Iπ-helixtrans-80.8-61.9-179.1-59.9-59.6151.200110.7H33 V35 H92 L93H33-E97 HydrophobicContact CB-CB 4.04Å; H33-E97 HydrophobicContact CB-CG 4.37Å; H33-E97 PolarHBondContact CE1-O 2.68Å; H33-E97 VanDerWaalsContact CE1-O 3.22Å; H33-E97 IonicContact CE1-OE2 2.7Å; H33-E97 IonicContact CG-OE2 3.99Å; H33-E97 IonicContact ND1-OE2 3.52Å; H33-E97 PolarHBondContact ND1-OE2 3.45Å; H33-E97 PolarHBondContact NE2-O 2.96Å; V35-E97 HydrophobicContact CG2-CG 4.08Å; H92-E97 IonicContact CD2-OE1 2.76Å; H92-E97 IonicContact CE1-OE1 3.05Å; H92-E97 IonicContact NE2-OE1 3.33Å; H92-E97 PolarHBondContact NE2-OE1 3.36Å; H92-E97 PolarHBondContact O-N 3.3Å; L93-E97 HydrophobicContact CD2-CB 4.49Å; L93-E97 HydrophobicContact CD2-CG 4.08Å
98L96.4Very high95.9Very high15 Ų1544.1 Ų44.18%0.07922%0.22CC..Iπ-helixtrans-80.4-27-174.2-65.4174.6000113.8V12 F14 A23 L93 V100V12-L98 HydrophobicContact CG1-CD1 3.54Å; F14-L98 HydrophobicContact CE1-CD1 3.79Å; F14-L98 HydrophobicContact CZ-CD1 4.45Å; A23-L98 HydrophobicContact CB-CD1 4.3Å; A23-L98 HydrophobicContact CB-CD2 4.48Å; A23-L98 HydrophobicContact CB-CG 4.46Å; L93-L98 WeakPolarHBondContact O-CB 3.45Å; L93-L98 WeakPolarHBondContact O-CG 3.26Å; L93-L98 PolarHBondContact O-N 2.86Å; L98-V100 HydrophobicContact CB-CB 4.26Å; L98-V100 HydrophobicContact CB-CG2 4.06Å; L98-V100 PolarHBondContact O-N 3.41Å
99G95.4Very high96Very high64 Ų6440.5 Ų40.566%0.6621%0.207SC*.  trans62.231.7-173.700000112.9F94F94-G99 PolarHBondContact O-N 3.44Å
100V94.1Very high96Very high21 Ų2140.6 Ų40.613%0.12721%0.207CC..  trans-111.2134.8-176.6171.30000109.6V12 F94 L98 P102 Q105V12-V100 HydrophobicContact CG2-CG1 4.11Å; F94-V100 PolarHBondContact O-N 3.18Å; L98-V100 HydrophobicContact CB-CB 4.26Å; L98-V100 HydrophobicContact CB-CG2 4.06Å; L98-V100 PolarHBondContact O-N 3.41Å; V100-P102 WeakPolarHBondContact O-CD 3.47Å; V100-Q105 HydrophobicContact CG1-CB 4.26Å; V100-Q105 VanDerWaalsContact CG1-CD 3.48Å; V100-Q105 HydrophobicContact CG1-CG 3.89Å; V100-Q105 VanDerWaalsContact CG1-OE1 3.28Å
101K94.8Very high96Very high128 Ų12840.8 Ų40.856%0.55721%0.208SC*.  trans-76.4121170.7-169.3179.6173-137.20109.8S103 D104K101-S103 WeakPolarHBondContact CD-OG 3.24Å; K101-S103 WeakPolarHBondContact CE-OG 3.38Å; K101-S103 PolarHBondContact NZ-OG 3.46Å; K101-S103 PolarHBondContact O-N 3.33Å; K101-S103 VanDerWaalsContact O-N 3.14Å; K101-D104 HydrophobicContact CB-CB 4.5Å; K101-D104 IonicContact NZ-OD1 3.74Å; K101-D104 PolarHBondContact O-N 3Å; K101-D104 VanDerWaalsContact O-N 3.08Å
102P95.3Very high95.9Very high21 Ų2137.5 Ų37.514%0.13620%0.195CC..G310 helixtrans-58.3-33-174.5-18.624.4000113.8F94 V100 D104 F131 V133F94-P102 HydrophobicContact CB-CG 3.99Å; F94-P102 HydrophobicContact CD1-CB 4.11Å; F94-P102 HydrophobicContact CD1-CG 3.86Å; F94-P102 HydrophobicContact CD2-CB 4.2Å; F94-P102 HydrophobicContact CD2-CG 3.74Å; F94-P102 HydrophobicContact CE1-CB 3.93Å; F94-P102 HydrophobicContact CE1-CG 4.19Å; F94-P102 HydrophobicContact CE2-CB 4Å; F94-P102 HydrophobicContact CE2-CG 4.07Å; F94-P102 HydrophobicContact CG-CB 4.25Å; F94-P102 HydrophobicContact CG-CG 3.63Å; F94-P102 HydrophobicContact CZ-CB 3.87Å; F94-P102 HydrophobicContact CZ-CG 4.29Å; V100-P102 WeakPolarHBondContact O-CD 3.47Å; P102-D104 PolarHBondContact O-N 3.35Å; P102-D104 VanDerWaalsContact O-N 3.14Å; P102-F131 HydrophobicContact CB-CB 3.94Å; P102-F131 HydrophobicContact CB-CD1 4.33Å; P102-F131 WeakPolarHBondContact CB-O 3.4Å; P102-F131 HydrophobicContact CG-CB 4.43Å; P102-F131 HydrophobicContact CG-CD1 3.94Å; P102-V133 HydrophobicContact CB-CG1 4.26Å
103S94.6Very high95.8Very high42 Ų4236.8 Ų36.829%0.29419%0.192SC..G310 helixtrans-67.8-11.1-179.366.20000115.2K101 G132K101-S103 WeakPolarHBondContact CD-OG 3.24Å; K101-S103 WeakPolarHBondContact CE-OG 3.38Å; K101-S103 PolarHBondContact NZ-OG 3.46Å; K101-S103 PolarHBondContact O-N 3.33Å; K101-S103 VanDerWaalsContact O-N 3.14Å; S103-G132 WeakPolarHBondContact CA-O 3.42Å
104D93.1Very high95.7Very high85 Ų8541.3 Ų41.346%0.45522%0.216SC..G310 helixtrans-106.9-8-169.7-60.30.6000112.3K101 P102K101-D104 HydrophobicContact CB-CB 4.5Å; K101-D104 IonicContact NZ-OD1 3.74Å; K101-D104 PolarHBondContact O-N 3Å; K101-D104 VanDerWaalsContact O-N 3.08Å; P102-D104 PolarHBondContact O-N 3.35Å; P102-D104 VanDerWaalsContact O-N 3.14Å
105Q93.9Very high95.7Very high30 Ų3042 Ų4214%0.1422%0.22CC..SBendtrans-137.2142.6-176.9-67.2-167.7-11.600112.9P10 V12 V100 P134P10-Q105 PolarHBondContact O-OE1 3.27Å; V12-Q105 HydrophobicContact CG2-CB 4.04Å; V100-Q105 HydrophobicContact CG1-CB 4.26Å; V100-Q105 VanDerWaalsContact CG1-CD 3.48Å; V100-Q105 HydrophobicContact CG1-CG 3.89Å; V100-Q105 VanDerWaalsContact CG1-OE1 3.28Å; Q105-P134 WeakPolarHBondContact O-CD 3.27Å
106P97Very high95.9Very high1 Ų139.5 Ų39.51%0.00621%0.212CC..  trans-67.8151.7171.928.2-30.2000110.2A6 L7 A11 V12 A135 W358A6-P106 VanDerWaalsContact O-CD 3.25Å; A6-P106 WeakPolarHBondContact O-CD 3.25Å; L7-P106 HydrophobicContact CD2-CB 4.31Å; A11-P106 CarbonylContact C-O 3.46Å; A11-P106 VanDerWaalsContact CA-O 3.28Å; A11-P106 WeakPolarHBondContact CA-O 3.44Å; A11-P106 HydrophobicContact CB-CB 4.45Å; A11-P106 HydrophobicContact CB-CG 3.9Å; V12-P106 PolarHBondContact N-O 3.26Å; P106-A135 WeakPolarHBondContact CA-O 3.44Å; P106-A135 HydrophobicContact CB-CB 4.05Å; P106-W358 HydrophobicContact CB-CD2 4.32Å; P106-W358 HydrophobicContact CB-CE3 4.34Å; P106-W358 HydrophobicContact CB-CH2 4.01Å; P106-W358 HydrophobicContact CB-CZ2 3.94Å; P106-W358 HydrophobicContact CB-CZ3 4.21Å; P106-W358 HydrophobicContact CG-CZ2 4.26Å
107L98.2Very high96Very high1 Ų139.2 Ų39.21%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-124.9122.5-177.1175.972.5000111.4V12 F14 F94 M127 V133 A135 F136 Y137 W358V12-L107 HydrophobicContact CB-CD1 3.69Å; V12-L107 HydrophobicContact CG1-CD1 3.57Å; V12-L107 WeakPolarHBondContact O-CA 3.04Å; F14-L107 HydrophobicContact CB-CD1 4.49Å; F14-L107 HydrophobicContact CD1-CD1 4.39Å; F14-L107 HydrophobicContact CD2-CD1 3.57Å; F14-L107 HydrophobicContact CD2-CD2 4.11Å; F14-L107 HydrophobicContact CD2-CG 4.43Å; F14-L107 HydrophobicContact CE2-CD1 3.79Å; F14-L107 HydrophobicContact CE2-CD2 4.26Å; F14-L107 HydrophobicContact CG-CD1 3.89Å; F14-L107 HydrophobicContact CZ-CD1 4.29Å; F94-L107 HydrophobicContact CZ-CD1 4.1Å; F94-L107 HydrophobicContact CZ-CD2 4.11Å; L107-M127 HydrophobicContact CD2-CE 3.62Å; L107-M127 HydrophobicContact CD2-CG 3.9Å; L107-M127 HydrophobicContact CD2-SD 3.26Å; L107-M127 WeakPolarHBondContact CD2-SD 3.46Å; L107-V133 HydrophobicContact CB-CG1 4.26Å; L107-V133 HydrophobicContact CD2-CG1 4.48Å; L107-A135 PolarHBondContact N-O 3.42Å; L107-F136 HydrophobicContact CB-CD2 4.32Å; L107-F136 HydrophobicContact CD2-CD2 4.04Å; L107-F136 HydrophobicContact CD2-CE2 4.04Å; L107-F136 HydrophobicContact CG-CD2 4.25Å; L107-F136 HydrophobicContact CG-CE2 4.41Å; L107-F136 CarbonylContact O-C 3.54Å; L107-F136 VanDerWaalsContact O-CA 3.31Å; L107-F136 WeakPolarHBondContact O-CA 3.25Å; L107-F136 WeakPolarHBondContact O-CD2 3.07Å; L107-Y137 PolarHBondContact O-N 3.47Å; L107-W358 WeakPolarHBondContact O-CZ3 3.17Å
108L98.5Very high96.1Very high0 Ų042.6 Ų42.60%023%0.227CC..EExtended strand (participates in β ladder)trans-94.9125.1161-174.1155.5000109.3V12 I13 F14 T110 Y137 L144 A345 V348 T349 F354 W358V12-L108 PolarHBondContact O-N 2.94Å; I13-L108 WeakPolarHBondContact CA-O 3.48Å; I13-L108 HydrophobicContact CG2-CD2 4.45Å; F14-L108 PolarHBondContact N-O 3.03Å; L108-T110 HydrophobicContact CD2-CG2 4.14Å; L108-Y137 WeakPolarHBondContact CA-O 3.44Å; L108-Y137 HydrophobicContact CD1-CD1 4.24Å; L108-L144 HydrophobicContact CD2-CD1 4.28Å; L108-A345 HydrophobicContact CD1-CB 4.33Å; L108-A345 HydrophobicContact CD2-CB 3.74Å; L108-V348 HydrophobicContact CD1-CG2 4.22Å; L108-T349 HydrophobicContact CB-CG2 3.86Å; L108-T349 HydrophobicContact CD1-CG2 3.38Å; L108-T349 HydrophobicContact CG-CG2 4.25Å; L108-F354 HydrophobicContact CD1-CE1 4.43Å; L108-F354 HydrophobicContact CD1-CZ 3.91Å; L108-W358 HydrophobicContact CB-CH2 4.1Å; L108-W358 HydrophobicContact CB-CZ3 4.39Å
109A98.4Very high96.2Very high0 Ų043.2 Ų43.20%023%0.231CC..EExtended strand (participates in β ladder)trans-111.6149.6168.200000110.4F14 M123 F136 Y137 L138 S139F14-A109 CarbonylContact O-C 3.52Å; F14-A109 WeakPolarHBondContact O-CA 3.44Å; A109-M123 HydrophobicContact CB-SD 3.73Å; A109-F136 HydrophobicContact CB-CE2 3.66Å; A109-F136 HydrophobicContact CB-CZ 3.97Å; A109-Y137 PolarHBondContact N-O 3.2Å; A109-L138 HydrophobicContact CB-CD1 4.02Å; A109-L138 WeakPolarHBondContact O-CA 3.42Å; A109-S139 PolarHBondContact O-N 2.96Å
110T98.3Very high96.3Very high1 Ų141.3 Ų41.31%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-99156.5175.873.50000111.7F14 D15 N16 L108 S139 Q141 L144 T341F14-T110 PolarHBondContact O-N 3.04Å; D15-T110 VanDerWaalsContact CA-OG1 3.31Å; D15-T110 WeakPolarHBondContact CA-OG1 3.43Å; D15-T110 HydrophobicContact CB-CG2 4.09Å; D15-T110 PolarHBondContact OD1-OG1 3.38Å; N16-T110 PolarHBondContact N-OG1 3.04Å; N16-T110 PolarHBondContact ND2-O 2.96Å; N16-T110 VanDerWaalsContact ND2-O 3.13Å; L108-T110 HydrophobicContact CD2-CG2 4.14Å; T110-S139 CarbonylContact C-O 3.54Å; T110-S139 VanDerWaalsContact CA-O 3.29Å; T110-S139 WeakPolarHBondContact CA-O 3.45Å; T110-Q141 PolarHBondContact OG1-NE2 2.94Å; T110-L144 HydrophobicContact CG2-CD1 3.66Å; T110-T341 HydrophobicContact CG2-CG2 3.88Å
111E97.4Very high96.5Very high4 Ų443 Ų432%0.01921%0.21CC..EExtended strand (participates in β ladder)trans-141.6156.2175.969.3-175.9142.700112.1N115 R120 L138 S139 Q141E111-N115 HydrophobicContact CB-CB 4.33Å; E111-N115 HydrophobicContact CG-CB 4.46Å; E111-N115 VanDerWaalsContact OE2-CB 3.23Å; E111-N115 WeakPolarHBondContact OE2-CB 3.25Å; E111-N115 PolarHBondContact OE2-ND2 2.89Å; E111-R120 IonicContact OE1-CZ 3.8Å; E111-R120 IonicContact OE1-NH1 3.22Å; E111-R120 PolarHBondContact OE1-NH1 3.24Å; E111-R120 IonicContact OE1-NH2 3.17Å; E111-R120 PolarHBondContact OE1-NH2 2.95Å; E111-R120 WeakPolarHBondContact OE2-CG 3.23Å; E111-R120 IonicContact OE2-CZ 3.15Å; E111-R120 IonicContact OE2-NE 3.24Å; E111-R120 IonicContact OE2-NH1 2.8Å; E111-R120 PolarHBondContact OE2-NH1 3.48Å; E111-L138 HydrophobicContact CB-CD1 4.04Å; E111-L138 HydrophobicContact CB-CD2 4.37Å; E111-L138 HydrophobicContact CB-CG 4.14Å; E111-L138 VanDerWaalsContact CD-CG 3.43Å; E111-L138 HydrophobicContact CG-CD1 4.41Å; E111-L138 HydrophobicContact CG-CD2 4.32Å; E111-L138 HydrophobicContact CG-CG 4.01Å; E111-L138 WeakPolarHBondContact OE1-CD2 3.48Å; E111-L138 VanDerWaalsContact OE1-CG 3.27Å; E111-L138 WeakPolarHBondContact OE1-CG 3.41Å; E111-L138 VanDerWaalsContact OE2-CD2 3.25Å; E111-L138 WeakPolarHBondContact OE2-CD2 3.34Å; E111-S139 PolarHBondContact N-O 2.95Å; E111-Q141 VanDerWaalsContact O-CG 3.27Å; E111-Q141 WeakPolarHBondContact O-CG 3.31Å; E111-Q141 PolarHBondContact O-N 3.19Å
112P96.2Very high96.7Very high17 Ų1740.2 Ų40.211%0.1120%0.198CC..  trans-71.3155.4172.833.5-39.4000111.5G78 L79 N115G78-P112 WeakPolarHBondContact O-CD 3.49Å; G78-P112 VanDerWaalsContact O-CG 3.29Å; G78-P112 WeakPolarHBondContact O-CG 3.27Å; L79-P112 HydrophobicContact CD2-CG 4.07Å; P112-N115 HydrophobicContact CG-CB 4.25Å; P112-N115 WeakPolarHBondContact O-CB 3.44Å; P112-N115 PolarHBondContact O-N 2.92Å
113S94.4Very high96.8Very high3 Ų339.4 Ų39.42%0.02119%0.192CC..THydrogen-bonded Turntrans-57.6143.1169.6-490000111.6N115 D140 V167 K181S113-N115 VanDerWaalsContact C-N 3.3Å; S113-N115 PolarHBondContact O-N 3.43Å; S113-D140 WeakPolarHBondContact CA-OD2 3.48Å; S113-D140 WeakPolarHBondContact CB-OD2 3.28Å; S113-D140 VanDerWaalsContact OG-CG 3.3Å; S113-D140 PolarHBondContact OG-OD1 3.37Å; S113-D140 PolarHBondContact OG-OD2 3.04Å; S113-V167 VanDerWaalsContact OG-CG2 3.23Å; S113-V167 WeakPolarHBondContact OG-CG2 3.34Å; S113-K181 WeakPolarHBondContact O-CE 3.47Å; S113-K181 PolarHBondContact O-NZ 2.54Å
114L95.3Very high97Very high96 Ų9637.4 Ų37.450%0.50318%0.178SC..THydrogen-bonded Turntrans57.938.6-175.6-47.8177.1000113.3P176 V179L114-P176 HydrophobicContact CD2-CB 3.66Å; L114-V179 HydrophobicContact CD1-CB 3.95Å; L114-V179 HydrophobicContact CD1-CG1 3.89Å; L114-V179 HydrophobicContact CG-CB 4.28Å; L114-V179 HydrophobicContact CG-CG1 4.17Å
115N96.7Very high97.2Very high17 Ų1736.2 Ų36.29%0.09117%0.17CC..  trans-64.2133.9170.8-167.820.7000110.4E111 P112 S113 N119 R120E111-N115 HydrophobicContact CB-CB 4.33Å; E111-N115 HydrophobicContact CG-CB 4.46Å; E111-N115 VanDerWaalsContact OE2-CB 3.23Å; E111-N115 WeakPolarHBondContact OE2-CB 3.25Å; E111-N115 PolarHBondContact OE2-ND2 2.89Å; P112-N115 HydrophobicContact CG-CB 4.25Å; P112-N115 WeakPolarHBondContact O-CB 3.44Å; P112-N115 PolarHBondContact O-N 2.92Å; S113-N115 VanDerWaalsContact C-N 3.3Å; S113-N115 PolarHBondContact O-N 3.43Å; N115-N119 WeakPolarHBondContact OD1-CB 3.44Å; N115-R120 HydrophobicContact CB-CG 4.24Å; N115-R120 WeakPolarHBondContact ND2-CG 3.25Å
116P96.9Very high97.4Very high47 Ų4735 Ų3531%0.30517%0.165SC..  trans-54.2142.9176.2-28.436.6000112.4L79 E118 N119 R120L79-P116 HydrophobicContact CD2-CG 4.45Å; P116-E118 PolarHBondContact O-N 3.28Å; P116-N119 HydrophobicContact CB-CB 4.41Å; P116-N119 WeakPolarHBondContact O-CB 3.42Å; P116-N119 PolarHBondContact O-N 2.9Å; P116-N119 VanDerWaalsContact O-N 3.1Å; P116-R120 WeakPolarHBondContact O-CG 3.49Å; P116-R120 PolarHBondContact O-N 3.03Å
117R96.4Very high97.5Very high172 Ų17235 Ų3565%0.64916%0.164SC*.Hα-helixtrans-61.5-37.8-176.8-71.6-174.4171.9-174.5-1.9111.5N119 R120 E121 Q373R117-N119 VanDerWaalsContact C-N 3.3Å; R117-N119 PolarHBondContact O-N 2.99Å; R117-R120 WeakPolarHBondContact O-CB 3.42Å; R117-R120 PolarHBondContact O-N 3.12Å; R117-E121 WeakPolarHBondContact O-CG 3.46Å; R117-E121 PolarHBondContact O-N 3.25Å; R117-Q373 PolarHBondContact O-NE2 3.42Å; R117-Q373 VanDerWaalsContact O-NE2 3.07Å
118E97.2Very high97.5Very high129 Ų12935.7 Ų35.760%0.60317%0.168SC*.Hα-helixtrans-60-41177.6-58.576.5-167.800111P116 E121 K122P116-E118 PolarHBondContact O-N 3.28Å; E118-E121 PolarHBondContact O-N 2.8Å; E118-K122 VanDerWaalsContact O-CB 3.27Å; E118-K122 WeakPolarHBondContact O-CB 3.31Å; E118-K122 PolarHBondContact O-N 3.15Å
119N97.7Very high97.4Very high29 Ų2941.6 Ų41.616%0.15520%0.195CC..Hα-helixtrans-67.7-41178-76.611.1000111.8W83 N115 P116 R117 K122 M123W83-N119 WeakPolarHBondContact CH2-O 3.48Å; W83-N119 HydrophobicContact CZ2-CB 4.2Å; N115-N119 WeakPolarHBondContact OD1-CB 3.44Å; P116-N119 HydrophobicContact CB-CB 4.41Å; P116-N119 WeakPolarHBondContact O-CB 3.42Å; P116-N119 PolarHBondContact O-N 2.9Å; P116-N119 VanDerWaalsContact O-N 3.1Å; R117-N119 VanDerWaalsContact C-N 3.3Å; R117-N119 PolarHBondContact O-N 2.99Å; N119-K122 PolarHBondContact O-N 3.4Å; N119-M123 WeakPolarHBondContact O-CB 3.22Å; N119-M123 PolarHBondContact O-N 3.26Å
120R98Very high97.4Very high24 Ų2445.6 Ų45.69%0.09122%0.217CC..Hα-helixtrans-61.8-46.9176.3-62.4172.965.2105.21.3111.3E111 N115 P116 R117 M123 A124 L138 V372 C376E111-R120 IonicContact OE1-CZ 3.8Å; E111-R120 IonicContact OE1-NH1 3.22Å; E111-R120 PolarHBondContact OE1-NH1 3.24Å; E111-R120 IonicContact OE1-NH2 3.17Å; E111-R120 PolarHBondContact OE1-NH2 2.95Å; E111-R120 WeakPolarHBondContact OE2-CG 3.23Å; E111-R120 IonicContact OE2-CZ 3.15Å; E111-R120 IonicContact OE2-NE 3.24Å; E111-R120 IonicContact OE2-NH1 2.8Å; E111-R120 PolarHBondContact OE2-NH1 3.48Å; N115-R120 HydrophobicContact CB-CG 4.24Å; N115-R120 WeakPolarHBondContact ND2-CG 3.25Å; P116-R120 WeakPolarHBondContact O-CG 3.49Å; P116-R120 PolarHBondContact O-N 3.03Å; R117-R120 WeakPolarHBondContact O-CB 3.42Å; R117-R120 PolarHBondContact O-N 3.12Å; R120-M123 PolarHBondContact O-N 3.23Å; R120-A124 PolarHBondContact O-N 3.46Å; R120-A124 VanDerWaalsContact O-N 3.12Å; R120-L138 HydrophobicContact CB-CD2 3.85Å; R120-L138 HydrophobicContact CG-CD2 3.74Å; R120-V372 HydrophobicContact CB-CG2 4.1Å; R120-C376 PolarHBondContact NH2-O 2.95Å
121E98.1Very high97.3Very high56 Ų5646.8 Ų46.826%0.26222%0.222SC..Hα-helixtrans-64.5-43179-74.8179.2-169.500111.6R117 E118 M123 A124 E125 Q373R117-E121 WeakPolarHBondContact O-CG 3.46Å; R117-E121 PolarHBondContact O-N 3.25Å; E118-E121 PolarHBondContact O-N 2.8Å; E121-M123 VanDerWaalsContact C-N 3.34Å; E121-M123 PolarHBondContact O-N 3.32Å; E121-A124 WeakPolarHBondContact O-CB 3.48Å; E121-A124 PolarHBondContact O-N 2.91Å; E121-E125 PolarHBondContact O-N 3.13Å; E121-Q373 HydrophobicContact CG-CG 4.5Å
122K98.2Very high97.3Very high69 Ų6948.3 Ų48.330%0.324%0.238SC..Hα-helixtrans-65.7-36.8177.7-17460.1179.5178.70112.3W83 E118 N119 E125 V126W83-K122 HydrophobicContact CD2-CG 3.62Å; W83-K122 HydrophobicContact CE3-CG 3.67Å; W83-K122 HydrophobicContact CG-CG 4.38Å; W83-K122 HydrophobicContact CH2-CB 3.66Å; W83-K122 HydrophobicContact CH2-CG 3.72Å; W83-K122 HydrophobicContact CZ2-CB 3.66Å; W83-K122 HydrophobicContact CZ2-CG 3.66Å; W83-K122 HydrophobicContact CZ3-CB 4.1Å; W83-K122 HydrophobicContact CZ3-CG 3.71Å; E118-K122 VanDerWaalsContact O-CB 3.27Å; E118-K122 WeakPolarHBondContact O-CB 3.31Å; E118-K122 PolarHBondContact O-N 3.15Å; N119-K122 PolarHBondContact O-N 3.4Å; K122-E125 WeakPolarHBondContact CD-OE2 3.38Å; K122-E125 IonicContact NZ-OE1 3.67Å; K122-E125 PolarHBondContact NZ-OE1 2.64Å; K122-E125 IonicContact NZ-OE2 2.88Å; K122-E125 PolarHBondContact O-N 3.41Å; K122-V126 HydrophobicContact CD-CG2 4.45Å; K122-V126 WeakPolarHBondContact O-CG2 3.37Å; K122-V126 PolarHBondContact O-N 3.37Å
123M98Very high97.4Very high4 Ų447.5 Ų47.52%0.0223%0.233CC..Hα-helixtrans-62.6-44.4173.6-167.8178.4-52.300111.2I80 W83 W90 A109 N119 R120 E121 V126 M127 F136 L138I80-M123 HydrophobicContact CD1-CE 3.51Å; W83-M123 HydrophobicContact CH2-CB 4.24Å; W83-M123 HydrophobicContact CZ3-CB 4.34Å; W90-M123 HydrophobicContact CH2-CE 4.48Å; W90-M123 HydrophobicContact CH2-CG 3.83Å; W90-M123 HydrophobicContact CH2-SD 4.46Å; W90-M123 HydrophobicContact CZ2-CE 4.35Å; W90-M123 HydrophobicContact CZ2-CG 4.17Å; W90-M123 HydrophobicContact CZ2-SD 4.26Å; A109-M123 HydrophobicContact CB-SD 3.73Å; N119-M123 WeakPolarHBondContact O-CB 3.22Å; N119-M123 PolarHBondContact O-N 3.26Å; R120-M123 PolarHBondContact O-N 3.23Å; E121-M123 VanDerWaalsContact C-N 3.34Å; E121-M123 PolarHBondContact O-N 3.32Å; M123-V126 PolarHBondContact O-N 3.31Å; M123-M127 HydrophobicContact CG-CE 4.5Å; M123-M127 HydrophobicContact CG-CG 4.48Å; M123-M127 WeakPolarHBondContact O-CB 3.23Å; M123-M127 VanDerWaalsContact O-CG 3.23Å; M123-M127 WeakPolarHBondContact O-CG 3.48Å; M123-M127 PolarHBondContact O-N 3.03Å; M123-F136 HydrophobicContact CG-CZ 3.84Å; M123-F136 HydrophobicContact SD-CZ 3.87Å; M123-L138 HydrophobicContact CE-CD1 4.06Å; M123-L138 HydrophobicContact SD-CD1 3.37Å; M123-L138 WeakPolarHBondContact SD-CD1 3.43Å
124A98Very high97.5Very high0 Ų048 Ų480%024%0.236CC..Hα-helixtrans-61-45.9176.100000111.9R120 E121 M127 F128 F136 F364 V372R120-A124 PolarHBondContact O-N 3.46Å; R120-A124 VanDerWaalsContact O-N 3.12Å; E121-A124 WeakPolarHBondContact O-CB 3.48Å; E121-A124 PolarHBondContact O-N 2.91Å; A124-M127 PolarHBondContact O-N 3.41Å; A124-F128 VanDerWaalsContact O-CD2 3.24Å; A124-F128 WeakPolarHBondContact O-CD2 3.46Å; A124-F128 PolarHBondContact O-N 2.92Å; A124-F136 HydrophobicContact CB-CD1 4.28Å; A124-F136 HydrophobicContact CB-CE1 4.22Å; A124-F364 HydrophobicContact CB-CE2 4.4Å; A124-V372 HydrophobicContact CB-CG1 3.56Å; A124-V372 HydrophobicContact CB-CG2 4.37Å
125E98.1Very high97.6Very high60 Ų6043.4 Ų43.428%0.2821%0.212SC..Hα-helixtrans-55.1-52.9175.8-174.7-164.7132.800111.1E121 K122 M127 F128 E129E121-E125 PolarHBondContact O-N 3.13Å; K122-E125 WeakPolarHBondContact CD-OE2 3.38Å; K122-E125 IonicContact NZ-OE1 3.67Å; K122-E125 PolarHBondContact NZ-OE1 2.64Å; K122-E125 IonicContact NZ-OE2 2.88Å; K122-E125 PolarHBondContact O-N 3.41Å; E125-M127 VanDerWaalsContact C-N 3.34Å; E125-M127 PolarHBondContact O-N 2.97Å; E125-F128 PolarHBondContact O-N 3.4Å; E125-E129 HydrophobicContact CG-CG 4.31Å; E125-E129 VanDerWaalsContact O-CB 3.24Å; E125-E129 WeakPolarHBondContact O-CB 3.29Å; E125-E129 WeakPolarHBondContact O-CG 3.49Å; E125-E129 PolarHBondContact O-N 3.23Å
126V98.3Very high97.7Very high5 Ų542.6 Ų42.63%0.0321%0.208CC..Iπ-helixtrans-60.3-43.1179.71720000111.5W83 E87 W90 K122 M123 N130 F131W83-V126 HydrophobicContact CE3-CG2 4.42Å; E87-V126 HydrophobicContact CG-CG1 4.4Å; W90-V126 HydrophobicContact CE3-CG1 4.12Å; W90-V126 HydrophobicContact CZ3-CB 4.46Å; W90-V126 HydrophobicContact CZ3-CG1 3.9Å; K122-V126 HydrophobicContact CD-CG2 4.45Å; K122-V126 WeakPolarHBondContact O-CG2 3.37Å; K122-V126 PolarHBondContact O-N 3.37Å; M123-V126 PolarHBondContact O-N 3.31Å; V126-N130 HydrophobicContact CG1-CB 4.45Å; V126-N130 WeakPolarHBondContact O-CA 3.31Å; V126-N130 WeakPolarHBondContact O-CB 3.28Å; V126-N130 PolarHBondContact O-N 2.99Å; V126-F131 HydrophobicContact CG1-CD2 3.9Å; V126-F131 HydrophobicContact CG1-CE2 3.68Å; V126-F131 PolarHBondContact O-N 3.16Å; V126-F131 VanDerWaalsContact O-N 3.16Å
127M98.2Very high97.7Very high0 Ų041 Ų410%020%0.196CC..Iπ-helixtrans-67.7-40.7-178.4-67.4-57.7177.100112.8F14 W90 L107 M123 A124 E125 F131 G132 V133 F136F14-M127 HydrophobicContact CD2-CE 4.46Å; W90-M127 HydrophobicContact CD2-CE 3.36Å; W90-M127 VanDerWaalsContact CE2-CE 3.42Å; W90-M127 HydrophobicContact CE3-CE 3.58Å; W90-M127 HydrophobicContact CG-CE 3.89Å; W90-M127 HydrophobicContact CH2-CE 3.94Å; W90-M127 HydrophobicContact CZ2-CE 3.72Å; W90-M127 HydrophobicContact CZ3-CE 3.87Å; L107-M127 HydrophobicContact CD2-CE 3.62Å; L107-M127 HydrophobicContact CD2-CG 3.9Å; L107-M127 HydrophobicContact CD2-SD 3.26Å; L107-M127 WeakPolarHBondContact CD2-SD 3.46Å; M123-M127 HydrophobicContact CG-CE 4.5Å; M123-M127 HydrophobicContact CG-CG 4.48Å; M123-M127 WeakPolarHBondContact O-CB 3.23Å; M123-M127 VanDerWaalsContact O-CG 3.23Å; M123-M127 WeakPolarHBondContact O-CG 3.48Å; M123-M127 PolarHBondContact O-N 3.03Å; A124-M127 PolarHBondContact O-N 3.41Å; E125-M127 VanDerWaalsContact C-N 3.34Å; E125-M127 PolarHBondContact O-N 2.97Å; M127-F131 CarbonylContact O-C 3.58Å; M127-F131 WeakPolarHBondContact O-CB 3.13Å; M127-F131 HydrophobicContact SD-CD2 3.79Å; M127-F131 HydrophobicContact SD-CE2 4.37Å; M127-F131 HydrophobicContact SD-CG 4.46Å; M127-G132 PolarHBondContact O-N 3.47Å; M127-V133 HydrophobicContact CB-CG2 3.98Å; M127-V133 WeakPolarHBondContact O-CG2 3.24Å; M127-V133 PolarHBondContact O-N 2.94Å; M127-V133 VanDerWaalsContact O-N 3.11Å; M127-F136 HydrophobicContact CB-CD2 4.05Å; M127-F136 HydrophobicContact CB-CE2 4.28Å; M127-F136 HydrophobicContact CB-CG 4.35Å; M127-F136 HydrophobicContact CG-CD2 3.95Å; M127-F136 HydrophobicContact CG-CE2 3.71Å; M127-F136 HydrophobicContact CG-CZ 4.21Å
128F98.2Very high97.8Very high17 Ų1732.9 Ų32.98%0.07517%0.165CC..Iπ-helixtrans-81.5-41.5179.4-75.2-62.2000113.5A124 E125 G132 V133 F136 V359 A361 F364A124-F128 VanDerWaalsContact O-CD2 3.24Å; A124-F128 WeakPolarHBondContact O-CD2 3.46Å; A124-F128 PolarHBondContact O-N 2.92Å; E125-F128 PolarHBondContact O-N 3.4Å; F128-G132 VanDerWaalsContact O-CA 3.27Å; F128-G132 WeakPolarHBondContact O-CA 3.46Å; F128-G132 PolarHBondContact O-N 3.1Å; F128-V133 HydrophobicContact CD1-CG2 3.98Å; F128-V133 WeakPolarHBondContact CD1-O 3.32Å; F128-V133 HydrophobicContact CE1-CG2 4.01Å; F128-V133 WeakPolarHBondContact CE1-O 3.5Å; F128-F136 HydrophobicContact CE1-CB 4.23Å; F128-F136 HydrophobicContact CE2-CB 3.76Å; F128-F136 HydrophobicContact CE2-CD1 4.43Å; F128-F136 HydrophobicContact CE2-CG 4.5Å; F128-F136 HydrophobicContact CZ-CB 3.53Å; F128-V359 HydrophobicContact CE2-CG1 3.95Å; F128-V359 HydrophobicContact CZ-CB 4.35Å; F128-V359 HydrophobicContact CZ-CG1 3.9Å; F128-V359 WeakPolarHBondContact CZ-O 3.42Å; F128-A361 HydrophobicContact CD1-CB 4.04Å; F128-A361 HydrophobicContact CE1-CB 4.06Å; F128-F364 HydrophobicContact CB-CD1 3.67Å; F128-F364 HydrophobicContact CB-CD2 4.36Å; F128-F364 HydrophobicContact CB-CE1 3.78Å; F128-F364 HydrophobicContact CB-CE2 4.42Å; F128-F364 HydrophobicContact CB-CG 3.98Å; F128-F364 HydrophobicContact CB-CZ 4.17Å; F128-F364 HydrophobicContact CD1-CB 4.36Å; F128-F364 HydrophobicContact CD2-CB 3.65Å; F128-F364 AromaticContact CD2-CD1 4Å; F128-F364 HydrophobicContact CD2-CD1 4Å; F128-F364 AromaticContact CD2-CD2 3.32Å; F128-F364 HydrophobicContact CD2-CD2 3.32Å; F128-F364 AromaticContact CD2-CE2 3.9Å; F128-F364 HydrophobicContact CD2-CE2 3.9Å; F128-F364 AromaticContact CD2-CG 3.37Å; F128-F364 HydrophobicContact CD2-CG 3.37Å; F128-F364 HydrophobicContact CD2-CZ 4.47Å; F128-F364 HydrophobicContact CE1-CB 4.44Å; F128-F364 HydrophobicContact CE2-CB 3.73Å; F128-F364 AromaticContact CE2-CD2 3.87Å; F128-F364 HydrophobicContact CE2-CD2 3.87Å; F128-F364 AromaticContact CE2-CG 3.94Å; F128-F364 HydrophobicContact CE2-CG 3.94Å; F128-F364 HydrophobicContact CG-CB 3.98Å; F128-F364 AromaticContact CG-CD1 3.91Å; F128-F364 HydrophobicContact CG-CD1 3.91Å; F128-F364 HydrophobicContact CG-CD2 4.09Å; F128-F364 HydrophobicContact CG-CE1 4.44Å; F128-F364 AromaticContact CG-CG 3.73Å; F128-F364 HydrophobicContact CG-CG 3.73Å; F128-F364 HydrophobicContact CZ-CB 4.13Å
129E97.7Very high97.8Very high123 Ų12327 Ų2758%0.57514%0.139SC*.Iπ-helixtrans-86.3-43.5-172.7-60.1-169.6175.500112.4E125 F364E125-E129 HydrophobicContact CG-CG 4.31Å; E125-E129 VanDerWaalsContact O-CB 3.24Å; E125-E129 WeakPolarHBondContact O-CB 3.29Å; E125-E129 WeakPolarHBondContact O-CG 3.49Å; E125-E129 PolarHBondContact O-N 3.23Å; E129-F364 HydrophobicContact CG-CE1 3.95Å; E129-F364 HydrophobicContact CG-CZ 4.18Å
130N97.5Very high97.8Very high85 Ų8526 Ų2646%0.45513%0.133SC..Iπ-helixtrans-89.8-45.2-176.4-62.116.8000111.5E87 V126E87-N130 PolarHBondContact OE1-ND2 2.93Å; E87-N130 PolarHBondContact OE2-ND2 3.43Å; V126-N130 HydrophobicContact CG1-CB 4.45Å; V126-N130 WeakPolarHBondContact O-CA 3.31Å; V126-N130 WeakPolarHBondContact O-CB 3.28Å; V126-N130 PolarHBondContact O-N 2.99Å
131F97.6Very high97.8Very high25 Ų2526 Ų2611%0.1113%0.134CC..SBendtrans-89.8-20.9-179.2-67.8-72.9000113.6E87 W90 K91 F94 P102 V126 M127 V133E87-F131 HydrophobicContact CG-CE2 3.96Å; E87-F131 HydrophobicContact CG-CZ 3.85Å; W90-F131 HydrophobicContact CB-CE2 4.04Å; W90-F131 HydrophobicContact CB-CZ 3.74Å; W90-F131 HydrophobicContact CE3-CE2 4.11Å; K91-F131 HydrophobicContact CB-CE1 4.09Å; K91-F131 HydrophobicContact CB-CZ 4.29Å; F94-F131 AromaticContact CD2-CD1 3.95Å; F94-F131 HydrophobicContact CD2-CD1 3.95Å; F94-F131 HydrophobicContact CD2-CE1 4.02Å; F94-F131 HydrophobicContact CE2-CD1 4.04Å; F94-F131 HydrophobicContact CE2-CE1 4.39Å; F94-F131 HydrophobicContact CE2-CG 4.24Å; P102-F131 HydrophobicContact CB-CB 3.94Å; P102-F131 HydrophobicContact CB-CD1 4.33Å; P102-F131 WeakPolarHBondContact CB-O 3.4Å; P102-F131 HydrophobicContact CG-CB 4.43Å; P102-F131 HydrophobicContact CG-CD1 3.94Å; V126-F131 HydrophobicContact CG1-CD2 3.9Å; V126-F131 HydrophobicContact CG1-CE2 3.68Å; V126-F131 PolarHBondContact O-N 3.16Å; V126-F131 VanDerWaalsContact O-N 3.16Å; M127-F131 CarbonylContact O-C 3.58Å; M127-F131 WeakPolarHBondContact O-CB 3.13Å; M127-F131 HydrophobicContact SD-CD2 3.79Å; M127-F131 HydrophobicContact SD-CE2 4.37Å; M127-F131 HydrophobicContact SD-CG 4.46Å; F131-V133 VanDerWaalsContact C-N 3.32Å; F131-V133 HydrophobicContact CB-CG1 4.16Å; F131-V133 PolarHBondContact O-N 3.27Å
132G97.1Very high97.7Very high36 Ų3623.3 Ų23.337%0.37112%0.122SC..  trans67.330.1176.900000113.8S103 M127 F128S103-G132 WeakPolarHBondContact CA-O 3.42Å; M127-G132 PolarHBondContact O-N 3.47Å; F128-G132 VanDerWaalsContact O-CA 3.27Å; F128-G132 WeakPolarHBondContact O-CA 3.46Å; F128-G132 PolarHBondContact O-N 3.1Å
133V97.4Very high97.7Very high1 Ų120.3 Ų20.31%0.00611%0.109CC..  trans-61139.5-178.4-570000110.8P102 L107 M127 F128 F131 A135 F136P102-V133 HydrophobicContact CB-CG1 4.26Å; L107-V133 HydrophobicContact CB-CG1 4.26Å; L107-V133 HydrophobicContact CD2-CG1 4.48Å; M127-V133 HydrophobicContact CB-CG2 3.98Å; M127-V133 WeakPolarHBondContact O-CG2 3.24Å; M127-V133 PolarHBondContact O-N 2.94Å; M127-V133 VanDerWaalsContact O-N 3.11Å; F128-V133 HydrophobicContact CD1-CG2 3.98Å; F128-V133 WeakPolarHBondContact CD1-O 3.32Å; F128-V133 HydrophobicContact CE1-CG2 4.01Å; F128-V133 WeakPolarHBondContact CE1-O 3.5Å; F131-V133 VanDerWaalsContact C-N 3.32Å; F131-V133 HydrophobicContact CB-CG1 4.16Å; F131-V133 PolarHBondContact O-N 3.27Å; V133-A135 VanDerWaalsContact C-N 3.3Å; V133-A135 PolarHBondContact O-N 2.98Å; V133-F136 HydrophobicContact CG2-CB 4.07Å
134P96.8Very high97.7Very high13 Ų1320.1 Ų20.18%0.08411%0.108CC..SBendtrans-68.5-32-179.826.9-34.2000112.2F2 A6 Q105 A361F2-P134 WeakPolarHBondContact CE2-O 3.41Å; A6-P134 HydrophobicContact CB-CB 3.8Å; A6-P134 HydrophobicContact CB-CG 3.85Å; Q105-P134 WeakPolarHBondContact O-CD 3.27Å; P134-A361 PolarHBondContact O-N 3.27Å
135A97.4Very high97.7Very high0 Ų020.1 Ų20.10%011%0.108CC..EExtended strand (participates in β ladder)trans-153151175.900000111.4L7 P106 L107 V133 W358 V359L7-A135 HydrophobicContact CD2-CB 3.48Å; L7-A135 VanDerWaalsContact CD2-CB 3.48Å; P106-A135 WeakPolarHBondContact CA-O 3.44Å; P106-A135 HydrophobicContact CB-CB 4.05Å; L107-A135 PolarHBondContact N-O 3.42Å; V133-A135 VanDerWaalsContact C-N 3.3Å; V133-A135 PolarHBondContact O-N 2.98Å; A135-W358 HydrophobicContact CB-CB 3.96Å; A135-W358 HydrophobicContact CB-CD2 4.23Å; A135-W358 HydrophobicContact CB-CE3 4.2Å; A135-W358 HydrophobicContact CB-CG 4.14Å; A135-V359 CarbonylContact C-O 3.52Å; A135-V359 WeakPolarHBondContact CA-O 3.43Å; A135-V359 WeakPolarHBondContact CB-O 3.04Å
136F98Very high97.7Very high0 Ų017.2 Ų17.20%010%0.095CC..EExtended strand (participates in β ladder)trans-136.9144.2-175.6-178.5-116.2000110.5L107 A109 M123 A124 M127 F128 V133 L138 V359 V372L107-F136 HydrophobicContact CB-CD2 4.32Å; L107-F136 HydrophobicContact CD2-CD2 4.04Å; L107-F136 HydrophobicContact CD2-CE2 4.04Å; L107-F136 HydrophobicContact CG-CD2 4.25Å; L107-F136 HydrophobicContact CG-CE2 4.41Å; L107-F136 CarbonylContact O-C 3.54Å; L107-F136 VanDerWaalsContact O-CA 3.31Å; L107-F136 WeakPolarHBondContact O-CA 3.25Å; L107-F136 WeakPolarHBondContact O-CD2 3.07Å; A109-F136 HydrophobicContact CB-CE2 3.66Å; A109-F136 HydrophobicContact CB-CZ 3.97Å; M123-F136 HydrophobicContact CG-CZ 3.84Å; M123-F136 HydrophobicContact SD-CZ 3.87Å; A124-F136 HydrophobicContact CB-CD1 4.28Å; A124-F136 HydrophobicContact CB-CE1 4.22Å; M127-F136 HydrophobicContact CB-CD2 4.05Å; M127-F136 HydrophobicContact CB-CE2 4.28Å; M127-F136 HydrophobicContact CB-CG 4.35Å; M127-F136 HydrophobicContact CG-CD2 3.95Å; M127-F136 HydrophobicContact CG-CE2 3.71Å; M127-F136 HydrophobicContact CG-CZ 4.21Å; F128-F136 HydrophobicContact CE1-CB 4.23Å; F128-F136 HydrophobicContact CE2-CB 3.76Å; F128-F136 HydrophobicContact CE2-CD1 4.43Å; F128-F136 HydrophobicContact CE2-CG 4.5Å; F128-F136 HydrophobicContact CZ-CB 3.53Å; V133-F136 HydrophobicContact CG2-CB 4.07Å; F136-L138 HydrophobicContact CE1-CB 4.12Å; F136-L138 HydrophobicContact CZ-CB 4.28Å; F136-L138 HydrophobicContact CZ-CD1 4.07Å; F136-V359 PolarHBondContact N-O 3.24Å; F136-V359 WeakPolarHBondContact O-CB 3.34Å; F136-V359 PolarHBondContact O-N 2.97Å; F136-V372 HydrophobicContact CD1-CG1 4.27Å; F136-V372 HydrophobicContact CE1-CG1 4.43Å
137Y98.1Very high97.6Very high14 Ų1420.2 Ų20.26%0.05511%0.106CC..EExtended strand (participates in β ladder)trans-140.3140.6168.6-165.3-96.8000109.5L107 L108 A109 F354 M357 W358 R375 C376L107-Y137 PolarHBondContact O-N 3.47Å; L108-Y137 WeakPolarHBondContact CA-O 3.44Å; L108-Y137 HydrophobicContact CD1-CD1 4.24Å; A109-Y137 PolarHBondContact N-O 3.2Å; Y137-F354 HydrophobicContact CD1-CE2 4.22Å; Y137-F354 AromaticContact CD1-CZ 3.55Å; Y137-F354 HydrophobicContact CD1-CZ 3.55Å; Y137-F354 HydrophobicContact CD2-CZ 4.26Å; Y137-F354 HydrophobicContact CE1-CE2 4.16Å; Y137-F354 AromaticContact CE1-CZ 3.96Å; Y137-F354 HydrophobicContact CE1-CZ 3.96Å; Y137-F354 HydrophobicContact CG-CE1 4.35Å; Y137-F354 AromaticContact CG-CZ 3.71Å; Y137-F354 HydrophobicContact CG-CZ 3.71Å; Y137-M357 HydrophobicContact CD2-CB 4.19Å; Y137-M357 VanDerWaalsContact CD2-O 3.25Å; Y137-M357 WeakPolarHBondContact CD2-O 3.39Å; Y137-M357 HydrophobicContact CE2-CB 3.86Å; Y137-M357 HydrophobicContact CE2-CE 4.26Å; Y137-M357 WeakPolarHBondContact CE2-O 3.41Å; Y137-W358 VanDerWaalsContact CB-CZ3 3.5Å; Y137-R375 WeakPolarHBondContact CE2-O 3.47Å; Y137-C376 HydrophobicContact CE2-CB 4.39Å
138L97.8Very high97.5Very high0 Ų021.5 Ų21.50%012%0.117CC..EExtended strand (participates in β ladder)trans-113.9131.4177.2-16765000107.9A109 E111 R120 M123 F136 C376A109-L138 HydrophobicContact CB-CD1 4.02Å; A109-L138 WeakPolarHBondContact O-CA 3.42Å; E111-L138 HydrophobicContact CB-CD1 4.04Å; E111-L138 HydrophobicContact CB-CD2 4.37Å; E111-L138 HydrophobicContact CB-CG 4.14Å; E111-L138 VanDerWaalsContact CD-CG 3.43Å; E111-L138 HydrophobicContact CG-CD1 4.41Å; E111-L138 HydrophobicContact CG-CD2 4.32Å; E111-L138 HydrophobicContact CG-CG 4.01Å; E111-L138 WeakPolarHBondContact OE1-CD2 3.48Å; E111-L138 VanDerWaalsContact OE1-CG 3.27Å; E111-L138 WeakPolarHBondContact OE1-CG 3.41Å; E111-L138 VanDerWaalsContact OE2-CD2 3.25Å; E111-L138 WeakPolarHBondContact OE2-CD2 3.34Å; R120-L138 HydrophobicContact CB-CD2 3.85Å; R120-L138 HydrophobicContact CG-CD2 3.74Å; M123-L138 HydrophobicContact CE-CD1 4.06Å; M123-L138 HydrophobicContact SD-CD1 3.37Å; M123-L138 WeakPolarHBondContact SD-CD1 3.43Å; F136-L138 HydrophobicContact CE1-CB 4.12Å; F136-L138 HydrophobicContact CZ-CB 4.28Å; F136-L138 HydrophobicContact CZ-CD1 4.07Å; L138-C376 HydrophobicContact CB-CB 4.13Å; L138-C376 PolarHBondContact N-SG 3.45Å; L138-C376 VanDerWaalsContact N-SG 3.43Å; L138-C376 VanDerWaalsContact O-CB 3.25Å; L138-C376 WeakPolarHBondContact O-CB 3.26Å
139S97.3Very high97.4Very high6 Ų622 Ų224%0.04212%0.123CC..EExtended strand (participates in β ladder)trans-137.1140.8-175.4-167.20000112.3A109 T110 E111 Q141 L144A109-S139 PolarHBondContact O-N 2.96Å; T110-S139 CarbonylContact C-O 3.54Å; T110-S139 VanDerWaalsContact CA-O 3.29Å; T110-S139 WeakPolarHBondContact CA-O 3.45Å; E111-S139 PolarHBondContact N-O 2.95Å; S139-Q141 PolarHBondContact O-N 2.89Å; S139-L144 WeakPolarHBondContact OG-CD2 3.38Å; S139-L144 WeakPolarHBondContact OG-CG 3.34Å
140D97.3Very high97.2Very high9 Ų920.9 Ų20.95%0.04813%0.134CC..EExtended strand (participates in β ladder)trans-63.9128.7177.2-177.2-60.7000111.1S113 A142 V143 L144S113-D140 WeakPolarHBondContact CA-OD2 3.48Å; S113-D140 WeakPolarHBondContact CB-OD2 3.28Å; S113-D140 VanDerWaalsContact OG-CG 3.3Å; S113-D140 PolarHBondContact OG-OD1 3.37Å; S113-D140 PolarHBondContact OG-OD2 3.04Å; D140-A142 VanDerWaalsContact C-N 3.27Å; D140-A142 PolarHBondContact O-N 3.46Å; D140-A142 WeakPolarHBondContact OD1-CA 3.28Å; D140-A142 VanDerWaalsContact OD1-CB 3.31Å; D140-A142 WeakPolarHBondContact OD1-CB 3.14Å; D140-A142 PolarHBondContact OD1-N 2.79Å; D140-V143 HydrophobicContact CB-CB 4.13Å; D140-V143 HydrophobicContact CB-CG2 3.84Å; D140-V143 PolarHBondContact O-N 2.92Å; D140-V143 PolarHBondContact OD1-N 3.21Å; D140-L144 WeakPolarHBondContact O-CG 3.41Å; D140-L144 PolarHBondContact O-N 3.09Å; D140-L144 VanDerWaalsContact O-N 3.14Å
141Q97.9Very high97.1Very high22 Ų2218.3 Ų18.310%0.10312%0.122CC..Hα-helixtrans-57.1-37.7-177-74.7171.9-37.800113.7D15 N16 T110 E111 S139 A145 T341D15-Q141 PolarHBondContact OD1-NE2 2.98Å; N16-Q141 PolarHBondContact O-NE2 2.99Å; N16-Q141 VanDerWaalsContact O-NE2 3.14Å; T110-Q141 PolarHBondContact OG1-NE2 2.94Å; E111-Q141 VanDerWaalsContact O-CG 3.27Å; E111-Q141 WeakPolarHBondContact O-CG 3.31Å; E111-Q141 PolarHBondContact O-N 3.19Å; S139-Q141 PolarHBondContact O-N 2.89Å; Q141-A145 WeakPolarHBondContact O-CB 3.45Å; Q141-A145 PolarHBondContact O-N 3.38Å; Q141-T341 HydrophobicContact CB-CG2 3.88Å; Q141-T341 HydrophobicContact CG-CG2 3.85Å; Q141-T341 PolarHBondContact O-OG1 3.27Å; Q141-T341 VanDerWaalsContact O-OG1 3.1Å
142A97.8Very high97Very high1 Ų120.9 Ų20.91%0.00814%0.14CC..Hα-helixtrans-75.3-39.3-179.200000111.4D140 L144 A145 L146 V156 V167 I169D140-A142 VanDerWaalsContact C-N 3.27Å; D140-A142 PolarHBondContact O-N 3.46Å; D140-A142 WeakPolarHBondContact OD1-CA 3.28Å; D140-A142 VanDerWaalsContact OD1-CB 3.31Å; D140-A142 WeakPolarHBondContact OD1-CB 3.14Å; D140-A142 PolarHBondContact OD1-N 2.79Å; A142-L144 VanDerWaalsContact C-N 3.3Å; A142-L144 PolarHBondContact O-N 3.02Å; A142-A145 PolarHBondContact O-N 3.1Å; A142-L146 PolarHBondContact O-N 3.17Å; A142-V156 HydrophobicContact CB-CB 3.92Å; A142-V156 HydrophobicContact CB-CG1 3.86Å; A142-V156 HydrophobicContact CB-CG2 4.44Å; A142-V156 WeakPolarHBondContact O-CG2 3.19Å; A142-V167 HydrophobicContact CB-CB 3.57Å; A142-V167 HydrophobicContact CB-CG1 3.83Å; A142-V167 HydrophobicContact CB-CG2 3.64Å; A142-I169 HydrophobicContact CB-CD1 4.35Å
143V97.8Very high97Very high5 Ų520.4 Ų20.43%0.0313%0.13CC..Hα-helixtrans-58.5-45.8175174.80000110.5D140 L146 Y147 I169D140-V143 HydrophobicContact CB-CB 4.13Å; D140-V143 HydrophobicContact CB-CG2 3.84Å; D140-V143 PolarHBondContact O-N 2.92Å; D140-V143 PolarHBondContact OD1-N 3.21Å; V143-L146 PolarHBondContact O-N 2.98Å; V143-Y147 HydrophobicContact CG1-CD2 4.14Å; V143-Y147 HydrophobicContact CG1-CE1 4.36Å; V143-Y147 HydrophobicContact CG1-CE2 3.47Å; V143-Y147 VanDerWaalsContact CG1-CE2 3.47Å; V143-Y147 WeakPolarHBondContact O-CD2 3.12Å; V143-Y147 PolarHBondContact O-N 3.2Å; V143-Y147 VanDerWaalsContact O-N 3.1Å; V143-I169 HydrophobicContact CG2-CD1 4.05Å; V143-I169 HydrophobicContact CG2-CG1 4.17Å
144L98Very high97Very high0 Ų020.3 Ų20.30%013%0.129CC..Hα-helixtrans-64-42.4175.7-64.4174.2000112.5L108 T110 S139 D140 A142 L146 Y147 A148 T341 G344 A345 V348L108-L144 HydrophobicContact CD2-CD1 4.28Å; T110-L144 HydrophobicContact CG2-CD1 3.66Å; S139-L144 WeakPolarHBondContact OG-CD2 3.38Å; S139-L144 WeakPolarHBondContact OG-CG 3.34Å; D140-L144 WeakPolarHBondContact O-CG 3.41Å; D140-L144 PolarHBondContact O-N 3.09Å; D140-L144 VanDerWaalsContact O-N 3.14Å; A142-L144 VanDerWaalsContact C-N 3.3Å; A142-L144 PolarHBondContact O-N 3.02Å; L144-L146 VanDerWaalsContact C-N 3.26Å; L144-L146 PolarHBondContact O-N 2.81Å; L144-Y147 HydrophobicContact CD2-CD2 4.37Å; L144-Y147 PolarHBondContact O-N 2.86Å; L144-A148 PolarHBondContact O-N 3.32Å; L144-T341 HydrophobicContact CB-CG2 4.21Å; L144-T341 WeakPolarHBondContact CB-O 3.47Å; L144-T341 HydrophobicContact CD1-CG2 4.12Å; L144-G344 VanDerWaalsContact O-CA 3.27Å; L144-G344 WeakPolarHBondContact O-CA 3.47Å; L144-A345 HydrophobicContact CD1-CB 3.96Å; L144-A345 HydrophobicContact CD2-CB 4.4Å; L144-V348 HydrophobicContact CD2-CG2 3.82Å
145A97.9Very high97.1Very high0 Ų019.7 Ų19.70%013%0.125CC..Hα-helixtrans-61.7-34.7177.100000112.7Q141 A142 A148 V156 S302Q141-A145 WeakPolarHBondContact O-CB 3.45Å; Q141-A145 PolarHBondContact O-N 3.38Å; A142-A145 PolarHBondContact O-N 3.1Å; A145-A148 PolarHBondContact O-N 3.25Å; A145-V156 HydrophobicContact CB-CG1 4.3Å; A145-S302 WeakPolarHBondContact CB-OG 3.48Å
146L97.7Very high97.2Very high0 Ų019.7 Ų19.70%013%0.125CC..Hα-helixtrans-66.9-43.2174.1-168.565.1000111.5A142 V143 L144 A148 S149 A150 C151 V156 I169 V300A142-L146 PolarHBondContact O-N 3.17Å; V143-L146 PolarHBondContact O-N 2.98Å; L144-L146 VanDerWaalsContact C-N 3.26Å; L144-L146 PolarHBondContact O-N 2.81Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.83Å; L146-S149 CarbonylContact O-C 3.59Å; L146-S149 WeakPolarHBondContact O-CA 3.29Å; L146-S149 WeakPolarHBondContact O-CB 3.18Å; L146-S149 PolarHBondContact O-N 3.3Å; L146-A150 PolarHBondContact O-N 3.05Å; L146-C151 CarbonylContact C-O 3.5Å; L146-C151 HydrophobicContact CD1-CB 3.66Å; L146-C151 HydrophobicContact CG-CB 3.91Å; L146-C151 WeakPolarHBondContact CG-O 3.42Å; L146-C151 PolarHBondContact O-N 3.14Å; L146-V156 HydrophobicContact CB-CG2 3.8Å; L146-V156 HydrophobicContact CD1-CG2 4.04Å; L146-V156 HydrophobicContact CG-CG2 4.41Å; L146-I169 HydrophobicContact CB-CD1 4.01Å; L146-I169 HydrophobicContact CD2-CB 3.72Å; L146-I169 HydrophobicContact CD2-CD1 3.75Å; L146-I169 HydrophobicContact CD2-CG1 4.36Å; L146-I169 HydrophobicContact CD2-CG2 3.67Å; L146-I169 HydrophobicContact CG-CD1 4.48Å; L146-V300 HydrophobicContact CD1-CB 4.34Å; L146-V300 HydrophobicContact CD1-CG2 3.76Å
147Y96.4Very high97.2Very high68 Ų6819.7 Ų19.727%0.26713%0.125SC..Hα-helixtrans-62.1-35.1175.9-65.6-26.9000113V143 L144 S149 A150 C151 V152 G172 V348V143-Y147 HydrophobicContact CG1-CD2 4.14Å; V143-Y147 HydrophobicContact CG1-CE1 4.36Å; V143-Y147 HydrophobicContact CG1-CE2 3.47Å; V143-Y147 VanDerWaalsContact CG1-CE2 3.47Å; V143-Y147 WeakPolarHBondContact O-CD2 3.12Å; V143-Y147 PolarHBondContact O-N 3.2Å; V143-Y147 VanDerWaalsContact O-N 3.1Å; L144-Y147 HydrophobicContact CD2-CD2 4.37Å; L144-Y147 PolarHBondContact O-N 2.86Å; Y147-S149 PolarHBondContact O-N 2.93Å; Y147-A150 PolarHBondContact O-N 3.41Å; Y147-C151 WeakPolarHBondContact CD1-O 3.02Å; Y147-V152 HydrophobicContact CD1-CG1 4.27Å; Y147-V152 HydrophobicContact CE1-CB 4.46Å; Y147-V152 HydrophobicContact CE1-CG1 3.97Å; Y147-G172 WeakPolarHBondContact OH-CA 3.44Å; Y147-V348 HydrophobicContact CD2-CG1 3.42Å; Y147-V348 VanDerWaalsContact CD2-CG1 3.42Å; Y147-V348 HydrophobicContact CE2-CG1 3.97Å; Y147-V348 HydrophobicContact CG-CG1 4.16Å
148A96.9Very high97.2Very high27 Ų2719.9 Ų19.922%0.22313%0.127CC..Hα-helixtrans-60.5-26.4173.100000112.7L144 A145 L146 A150 S340 I343L144-A148 PolarHBondContact O-N 3.32Å; A145-A148 PolarHBondContact O-N 3.25Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.83Å; A148-A150 VanDerWaalsContact C-N 3.31Å; A148-S340 VanDerWaalsContact CB-O 3.23Å; A148-S340 WeakPolarHBondContact CB-O 3.31Å; A148-I343 HydrophobicContact CB-CB 4.01Å; A148-I343 HydrophobicContact CB-CG2 3.88Å
149S94.9Very high97.3Very high28 Ų2819.9 Ų19.920%0.19613%0.127CC..THydrogen-bonded Turntrans-90.810.8175.6-55.30000113.3L146 Y147 C151 V300L146-S149 CarbonylContact O-C 3.59Å; L146-S149 WeakPolarHBondContact O-CA 3.29Å; L146-S149 WeakPolarHBondContact O-CB 3.18Å; L146-S149 PolarHBondContact O-N 3.3Å; Y147-S149 PolarHBondContact O-N 2.93Å; S149-C151 PolarHBondContact O-N 3.19Å; S149-V300 WeakPolarHBondContact OG-CG1 3.44Å
150A93.6Very high97.3Very high98 Ų9820.7 Ų20.781%0.8114%0.136SC*.THydrogen-bonded Turntrans57.126.4-176.700000114.5L146 Y147 A148L146-A150 PolarHBondContact O-N 3.05Å; Y147-A150 PolarHBondContact O-N 3.41Å; A148-A150 VanDerWaalsContact C-N 3.31Å
151C94.6Very high97.3Very high31 Ų3122.3 Ų22.321%0.20915%0.145CC..  trans-110.9153.6175.5-68.40000110.4L146 Y147 S149L146-C151 CarbonylContact C-O 3.5Å; L146-C151 HydrophobicContact CD1-CB 3.66Å; L146-C151 HydrophobicContact CG-CB 3.91Å; L146-C151 WeakPolarHBondContact CG-O 3.42Å; L146-C151 PolarHBondContact O-N 3.14Å; Y147-C151 WeakPolarHBondContact CD1-O 3.02Å; S149-C151 PolarHBondContact O-N 3.19Å
152V95.4Very high97.2Very high80 Ų8021.4 Ų21.449%0.48514%0.141SC..SBendtrans-123.4-10.7173.8-59.20000112.8Y147 E171 G172Y147-V152 HydrophobicContact CD1-CG1 4.27Å; Y147-V152 HydrophobicContact CE1-CB 4.46Å; Y147-V152 HydrophobicContact CE1-CG1 3.97Å; V152-E171 PolarHBondContact O-N 3.14Å; V152-G172 PolarHBondContact O-N 3.13Å
153T97.9Very high97.2Very high25 Ų2522.3 Ų22.315%0.15315%0.146CC..SBendtrans-131.4132.7174.1-62.70000108I169 F170 E171 I294T153-I169 WeakPolarHBondContact CA-O 3.45Å; T153-F170 HydrophobicContact CG2-CD2 3.59Å; T153-F170 HydrophobicContact CG2-CE2 4.15Å; T153-F170 HydrophobicContact CG2-CG 4.48Å; T153-E171 PolarHBondContact OG1-N 2.99Å; T153-I294 HydrophobicContact CG2-CG2 3.65Å
154G98.3Very high97.2Very high0 Ų022 Ų220%015%0.145CC..EExtended strand (participates in β ladder)trans161.7175.1-177.600000112I169 L295 E298G154-I169 PolarHBondContact N-O 3.29Å; G154-I169 PolarHBondContact O-N 3.24Å; G154-I169 VanDerWaalsContact O-O 3.13Å; G154-L295 VanDerWaalsContact C-CD2 3.47Å; G154-L295 WeakPolarHBondContact O-CD2 3.45Å; G154-E298 CarbonylContact C-O 3.59Å; G154-E298 WeakPolarHBondContact CA-O 3.45Å
155L98.8Very high97.2Very high0 Ų022.7 Ų22.70%015%0.149CC..EExtended strand (participates in β ladder)trans-104.3124.3171-17788.4000109.2V157 P168 V280 S283 I284 E298 I299 V300L155-V157 HydrophobicContact CD2-CG2 4.26Å; L155-P168 HydrophobicContact CD1-CB 3.76Å; L155-P168 HydrophobicContact CD1-CG 4.19Å; L155-V280 HydrophobicContact CD2-CB 4.1Å; L155-V280 HydrophobicContact CD2-CG1 3.53Å; L155-V280 HydrophobicContact CD2-CG2 4.01Å; L155-S283 WeakPolarHBondContact CD1-OG 3.27Å; L155-I284 HydrophobicContact CD1-CG1 4.31Å; L155-I284 HydrophobicContact CD2-CD1 4.11Å; L155-I284 HydrophobicContact CD2-CG1 4.14Å; L155-E298 PolarHBondContact N-O 2.89Å; L155-I299 HydrophobicContact CB-CG1 4.4Å; L155-I299 HydrophobicContact CD2-CG1 4.42Å; L155-I299 HydrophobicContact CD2-CG2 4.47Å; L155-I299 CarbonylContact O-C 3.56Å; L155-I299 VanDerWaalsContact O-CA 3.3Å; L155-I299 WeakPolarHBondContact O-CA 3.22Å; L155-V300 PolarHBondContact O-N 2.74Å
156V98.8Very high97.2Very high0 Ų022.7 Ų22.70%015%0.149CC..EExtended strand (participates in β ladder)trans-94.5130.5170.7175.50000109.8A142 A145 L146 D158 T166 V167 I169 V300A142-V156 HydrophobicContact CB-CB 3.92Å; A142-V156 HydrophobicContact CB-CG1 3.86Å; A142-V156 HydrophobicContact CB-CG2 4.44Å; A142-V156 WeakPolarHBondContact O-CG2 3.19Å; A145-V156 HydrophobicContact CB-CG1 4.3Å; L146-V156 HydrophobicContact CB-CG2 3.8Å; L146-V156 HydrophobicContact CD1-CG2 4.04Å; L146-V156 HydrophobicContact CG-CG2 4.41Å; V156-D158 HydrophobicContact CG1-CB 4.21Å; V156-T166 CarbonylContact O-C 3.51Å; V156-T166 VanDerWaalsContact O-CA 3.31Å; V156-T166 WeakPolarHBondContact O-CA 3.37Å; V156-V167 PolarHBondContact N-O 3.3Å; V156-V167 PolarHBondContact O-N 2.9Å; V156-I169 HydrophobicContact CG2-CD1 3.88Å; V156-V300 CarbonylContact C-O 3.55Å; V156-V300 WeakPolarHBondContact CA-O 3.44Å; V156-V300 HydrophobicContact CG2-CB 4.34Å
157V98.7Very high97.3Very high0 Ų022.7 Ų22.70%015%0.149CC..EExtended strand (participates in β ladder)trans-104.1101.9166.6-178.30000107L155 C165 T166 L276 V280 I299 V300 L301 S302L155-V157 HydrophobicContact CD2-CG2 4.26Å; V157-C165 WeakPolarHBondContact CA-O 3.27Å; V157-T166 HydrophobicContact CG2-CG2 4.33Å; V157-L276 HydrophobicContact CG1-CD1 3.6Å; V157-L276 HydrophobicContact CG1-CD2 4.42Å; V157-L276 HydrophobicContact CG1-CG 4.33Å; V157-V280 HydrophobicContact CG2-CG2 3.52Å; V157-I299 HydrophobicContact CG2-CG2 3.9Å; V157-V300 PolarHBondContact N-O 3.46Å; V157-L301 HydrophobicContact CB-CD2 3.76Å; V157-L301 HydrophobicContact CG1-CD2 4.24Å; V157-L301 HydrophobicContact CG2-CD2 4.21Å; V157-S302 PolarHBondContact O-N 3.04Å
158D98.3Very high97.4Very high17 Ų1719.4 Ų19.49%0.09114%0.136CC..EExtended strand (participates in β ladder)trans-103.6118.8178.2-173.34.9000109.8V156 T164 C165 S302 G303V156-D158 HydrophobicContact CG1-CB 4.21Å; D158-T164 CarbonylContact O-C 3.53Å; D158-T164 VanDerWaalsContact O-CA 3.29Å; D158-T164 WeakPolarHBondContact O-CA 3.1Å; D158-C165 PolarHBondContact N-O 3.1Å; D158-C165 PolarHBondContact O-N 2.82Å; D158-S302 WeakPolarHBondContact CA-O 3.29Å; D158-G303 WeakPolarHBondContact OD1-CA 3.2Å
159S98.5Very high97.5Very high1 Ų118.1 Ų18.11%0.00713%0.126CC..EExtended strand (participates in β ladder)trans-124102175.1-1670000110.1T164 S302 G303 G304 T305S159-T164 PolarHBondContact OG-OG1 3.38Å; S159-S302 PolarHBondContact N-O 3.49Å; S159-G303 CarbonylContact O-C 3.6Å; S159-G303 WeakPolarHBondContact O-CA 3.5Å; S159-G304 PolarHBondContact O-N 3.41Å; S159-T305 VanDerWaalsContact O-CB 3.29Å; S159-T305 WeakPolarHBondContact O-CB 3.4Å; S159-T305 PolarHBondContact O-N 3.04Å; S159-T305 VanDerWaalsContact OG-CB 3.27Å; S159-T305 WeakPolarHBondContact OG-CB 3.25Å; S159-T305 VanDerWaalsContact OG-CG2 3.31Å; S159-T305 WeakPolarHBondContact OG-CG2 3.34Å
160G97.6Very high97.6Very high22 Ų2219.7 Ų19.723%0.22713%0.129CC..  trans-94.5-148.8-179.600000112.9V163 A185 G186 T305G160-V163 PolarHBondContact N-O 2.93Å; G160-A185 WeakPolarHBondContact O-CB 3.33Å; G160-G186 PolarHBondContact O-N 3.47Å; G160-T305 PolarHBondContact O-OG1 3.35Å
161D97.4Very high97.7Very high44 Ų4421.3 Ų21.324%0.23512%0.12CC..SBendtrans-80.6-42.4177.2-178.663.3000112.8G19 A185 G186 R187G19-D161 WeakPolarHBondContact CA-OD2 3.41Å; D161-A185 WeakPolarHBondContact O-CB 3.27Å; D161-G186 PolarHBondContact O-N 2.96Å; D161-R187 VanDerWaalsContact O-CB 3.23Å; D161-R187 WeakPolarHBondContact O-CB 3.4Å; D161-R187 PolarHBondContact O-N 3.4Å; D161-R187 PolarHBondContact OD1-N 3.47Å; D161-R187 IonicContact OD2-CZ 2.81Å; D161-R187 IonicContact OD2-NE 3.24Å; D161-R187 PolarHBondContact OD2-NE 3.28Å; D161-R187 IonicContact OD2-NH2 3.67Å; D161-R187 PolarHBondContact OD2-NH2 2.96Å
162G96.5Very high97.6Very high2 Ų220.5 Ų20.52%0.02112%0.117CC..SBendtrans-111.2-12.3-171.300000116R77R77-G162 WeakPolarHBondContact CG-O 3.4Å; R77-G162 PolarHBondContact NH1-O 2.8Å; R77-G162 VanDerWaalsContact NH1-O 3.16Å
163V97.1Very high97.5Very high20 Ų2023.9 Ų23.912%0.12112%0.122CC..  trans-152.3145.6-176.564.70000110.8G160G160-V163 PolarHBondContact N-O 2.93Å
164T98.3Very high97.4Very high0 Ų023.6 Ų23.60%012%0.121CC..EExtended strand (participates in β ladder)trans-113.6131.8166.2-59.30000108.4D158 S159 K181 L182 V184 L276D158-T164 CarbonylContact O-C 3.53Å; D158-T164 VanDerWaalsContact O-CA 3.29Å; D158-T164 WeakPolarHBondContact O-CA 3.1Å; S159-T164 PolarHBondContact OG-OG1 3.38Å; T164-K181 CarbonylContact O-C 3.48Å; T164-K181 WeakPolarHBondContact O-CA 3.45Å; T164-L182 PolarHBondContact N-O 3.05Å; T164-L182 PolarHBondContact O-N 3.19Å; T164-V184 WeakPolarHBondContact CB-O 3.29Å; T164-V184 PolarHBondContact OG1-O 3.04Å; T164-L276 HydrophobicContact CG2-CD1 3.71Å
165C97.8Very high97.4Very high13 Ų1325 Ų259%0.08813%0.129CC..EExtended strand (participates in β ladder)trans-135.1154177.362.20000112.4V157 D158 V167 T180 K181V157-C165 WeakPolarHBondContact CA-O 3.27Å; D158-C165 PolarHBondContact N-O 3.1Å; D158-C165 PolarHBondContact O-N 2.82Å; C165-V167 HydrophobicContact CB-CG2 4.3Å; C165-T180 CarbonylContact C-O 3.57Å; C165-T180 WeakPolarHBondContact CA-O 3.19Å; C165-T180 WeakPolarHBondContact CB-O 3.33Å; C165-K181 HydrophobicContact CB-CG 4.27Å
166T98.5Very high97.3Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-116.4126.2167.268.90000108.3V156 V157 V179 T180 M279 V280 S283V156-T166 CarbonylContact O-C 3.51Å; V156-T166 VanDerWaalsContact O-CA 3.31Å; V156-T166 WeakPolarHBondContact O-CA 3.37Å; V157-T166 HydrophobicContact CG2-CG2 4.33Å; T166-V179 WeakPolarHBondContact O-CA 3.47Å; T166-T180 PolarHBondContact N-O 3.34Å; T166-T180 PolarHBondContact O-N 3.14Å; T166-T180 PolarHBondContact OG1-OG1 2.88Å; T166-M279 HydrophobicContact CG2-CB 3.93Å; T166-M279 HydrophobicContact CG2-CE 4.36Å; T166-V280 HydrophobicContact CG2-CG2 3.79Å; T166-S283 WeakPolarHBondContact OG1-CB 3.06Å; T166-S283 PolarHBondContact OG1-OG 2.82Å; T166-S283 VanDerWaalsContact OG1-OG 3.13Å
167V98.6Very high97.2Very high0 Ų034.3 Ų34.30%018%0.178CC..EExtended strand (participates in β ladder)trans-129.4104.7-171.3-172.30000108.5S113 A142 V156 C165 I169 S174 V179S113-V167 VanDerWaalsContact OG-CG2 3.23Å; S113-V167 WeakPolarHBondContact OG-CG2 3.34Å; A142-V167 HydrophobicContact CB-CB 3.57Å; A142-V167 HydrophobicContact CB-CG1 3.83Å; A142-V167 HydrophobicContact CB-CG2 3.64Å; V156-V167 PolarHBondContact N-O 3.3Å; V156-V167 PolarHBondContact O-N 2.9Å; C165-V167 HydrophobicContact CB-CG2 4.3Å; V167-I169 HydrophobicContact CG1-CD1 4.45Å; V167-I169 HydrophobicContact CG1-CG1 4.13Å; V167-S174 VanDerWaalsContact CG1-OG 3.3Å; V167-S174 WeakPolarHBondContact CG1-OG 3.46Å; V167-V179 HydrophobicContact CG1-CG2 4.17Å; V167-V179 HydrophobicContact CG2-CG1 4.46Å
168P98.6Very high97.2Very high0 Ų034.3 Ų34.30%018%0.178CC..EExtended strand (participates in β ladder)trans-79.5130.9174.723.7-18.4000109.1L155 L175 A178 S283 L295L155-P168 HydrophobicContact CD1-CB 3.76Å; L155-P168 HydrophobicContact CD1-CG 4.19Å; P168-L175 HydrophobicContact CB-CD1 4.31Å; P168-L175 HydrophobicContact CG-CB 4.15Å; P168-L175 PolarHBondContact O-N 3.33Å; P168-A178 HydrophobicContact CG-CB 3.44Å; P168-A178 VanDerWaalsContact CG-CB 3.44Å; P168-S283 WeakPolarHBondContact CD-OG 3.4Å; P168-L295 HydrophobicContact CB-CD1 3.99Å; P168-L295 HydrophobicContact CB-CD2 4.37Å
169I98.6Very high97.2Very high0 Ų034.1 Ų34.10%018%0.178CC..EExtended strand (participates in β ladder)trans-125.6132.8-176.2-61.2155.5000107.7A142 V143 L146 T153 G154 V156 V167 Y173A142-I169 HydrophobicContact CB-CD1 4.35Å; V143-I169 HydrophobicContact CG2-CD1 4.05Å; V143-I169 HydrophobicContact CG2-CG1 4.17Å; L146-I169 HydrophobicContact CB-CD1 4.01Å; L146-I169 HydrophobicContact CD2-CB 3.72Å; L146-I169 HydrophobicContact CD2-CD1 3.75Å; L146-I169 HydrophobicContact CD2-CG1 4.36Å; L146-I169 HydrophobicContact CD2-CG2 3.67Å; L146-I169 HydrophobicContact CG-CD1 4.48Å; T153-I169 WeakPolarHBondContact CA-O 3.45Å; G154-I169 PolarHBondContact N-O 3.29Å; G154-I169 PolarHBondContact O-N 3.24Å; G154-I169 VanDerWaalsContact O-O 3.13Å; V156-I169 HydrophobicContact CG2-CD1 3.88Å; V167-I169 HydrophobicContact CG1-CD1 4.45Å; V167-I169 HydrophobicContact CG1-CG1 4.13Å; I169-Y173 CarbonylContact C-O 3.54Å; I169-Y173 VanDerWaalsContact CA-O 3.3Å; I169-Y173 WeakPolarHBondContact CA-O 3.46Å
170F97.6Very high97.2Very high61 Ų6134.9 Ų34.927%0.26818%0.182SC..EExtended strand (participates in β ladder)trans-130.6121.5177.7-173.4-99000109.5T153 G172 Y173 L175 I291T153-F170 HydrophobicContact CG2-CD2 3.59Å; T153-F170 HydrophobicContact CG2-CE2 4.15Å; T153-F170 HydrophobicContact CG2-CG 4.48Å; F170-G172 PolarHBondContact O-N 2.55Å; F170-Y173 PolarHBondContact N-O 3.04Å; F170-Y173 PolarHBondContact O-N 3.41Å; F170-L175 HydrophobicContact CB-CD1 4.28Å; F170-L175 HydrophobicContact CB-CD2 4.42Å; F170-L175 HydrophobicContact CB-CG 4.49Å; F170-I291 HydrophobicContact CB-CD1 4.48Å; F170-I291 HydrophobicContact CD2-CB 4.15Å; F170-I291 HydrophobicContact CD2-CD1 4.3Å; F170-I291 HydrophobicContact CD2-CG2 3.66Å; F170-I291 HydrophobicContact CE2-CB 4.24Å; F170-I291 HydrophobicContact CE2-CG2 3.39Å; F170-I291 HydrophobicContact CG-CD1 4.47Å; F170-I291 HydrophobicContact CG-CG2 4.46Å; F170-I291 HydrophobicContact CZ-CG2 3.98Å
171E95.4Very high97.1Very high131 Ų13137 Ų3761%0.61219%0.185SC*.THydrogen-bonded Turntrans51.839.3-179.7-61.7-174.1158.200113.6V152 T153 Y173V152-E171 PolarHBondContact O-N 3.14Å; T153-E171 PolarHBondContact OG1-N 2.99Å; E171-Y173 VanDerWaalsContact C-N 3.34Å; E171-Y173 VanDerWaalsContact O-CD2 3.28Å; E171-Y173 WeakPolarHBondContact O-CD2 3.32Å
172G92.6Very high97Very high14 Ų1435 Ų3514%0.14417%0.174CC..THydrogen-bonded Turntrans85.4-1.3179.600000115Y147 V152 F170Y147-G172 WeakPolarHBondContact OH-CA 3.44Å; V152-G172 PolarHBondContact O-N 3.13Å; F170-G172 PolarHBondContact O-N 2.55Å
173Y93.9Very high97Very high151 Ų15139.3 Ų39.359%0.59219%0.194SC*.EExtended strand (participates in β ladder)trans-106.8125.4179.4-61.7-82.8000111.7I169 F170 E171I169-Y173 CarbonylContact C-O 3.54Å; I169-Y173 VanDerWaalsContact CA-O 3.3Å; I169-Y173 WeakPolarHBondContact CA-O 3.46Å; F170-Y173 PolarHBondContact N-O 3.04Å; F170-Y173 PolarHBondContact O-N 3.41Å; E171-Y173 VanDerWaalsContact C-N 3.34Å; E171-Y173 VanDerWaalsContact O-CD2 3.28Å; E171-Y173 WeakPolarHBondContact O-CD2 3.32Å
174S96.4Very high97Very high19 Ų1938.5 Ų38.513%0.13319%0.189CC..EExtended strand (participates in β ladder)trans-64138.7168.7-179.90000110.2V167 P176V167-S174 VanDerWaalsContact CG1-OG 3.3Å; V167-S174 WeakPolarHBondContact CG1-OG 3.46Å; S174-P176 WeakPolarHBondContact O-CD 3.48Å
175L97.4Very high96.9Very high31 Ų3138.5 Ų38.516%0.16219%0.189CC..  trans-98.693.5178.9-59.8-179.5000110P168 F170 H177 A178 V179 I291P168-L175 HydrophobicContact CB-CD1 4.31Å; P168-L175 HydrophobicContact CG-CB 4.15Å; P168-L175 PolarHBondContact O-N 3.33Å; F170-L175 HydrophobicContact CB-CD1 4.28Å; F170-L175 HydrophobicContact CB-CD2 4.42Å; F170-L175 HydrophobicContact CB-CG 4.49Å; L175-H177 VanDerWaalsContact C-N 3.3Å; L175-H177 PolarHBondContact O-N 3.3Å; L175-A178 HydrophobicContact CB-CB 4.45Å; L175-A178 PolarHBondContact O-N 3.23Å; L175-V179 PolarHBondContact O-N 3.31Å; L175-I291 HydrophobicContact CD1-CD1 3.59Å
176P96.7Very high96.9Very high77 Ų7738 Ų3850%0.519%0.185SC..G310 helixtrans-65.3-32.1-163.4-24.338.2000113.7L114 S174 A178 V179L114-P176 HydrophobicContact CD2-CB 3.66Å; S174-P176 WeakPolarHBondContact O-CD 3.48Å; P176-A178 PolarHBondContact O-N 2.96Å; P176-V179 PolarHBondContact O-N 2.72Å
177H97.6Very high96.8Very high118 Ų11841.2 Ų41.255%0.54620%0.198SC..G310 helixtrans-67.6-21.4179.762.1-84.9000113.1L175L175-H177 VanDerWaalsContact C-N 3.3Å; L175-H177 PolarHBondContact O-N 3.3Å
178A98.1Very high96.7Very high0 Ų042 Ų420%020%0.202CC..G310 helixtrans-106.7-1.7-176.700000113.1P168 L175 P176 S283 K286 C287P168-A178 HydrophobicContact CG-CB 3.44Å; P168-A178 VanDerWaalsContact CG-CB 3.44Å; L175-A178 HydrophobicContact CB-CB 4.45Å; L175-A178 PolarHBondContact O-N 3.23Å; P176-A178 PolarHBondContact O-N 2.96Å; A178-S283 WeakPolarHBondContact O-CA 3.36Å; A178-S283 WeakPolarHBondContact O-CB 3.35Å; A178-S283 PolarHBondContact O-OG 3.2Å; A178-K286 HydrophobicContact CB-CB 3.78Å; A178-C287 WeakPolarHBondContact CB-SG 3.39Å
179V98.3Very high96.6Very high12 Ų1242 Ų427%0.07320%0.202CC..  trans-63.8136.5172.3175.90000110.3L114 T166 V167 L175 P176 K181L114-V179 HydrophobicContact CD1-CB 3.95Å; L114-V179 HydrophobicContact CD1-CG1 3.89Å; L114-V179 HydrophobicContact CG-CB 4.28Å; L114-V179 HydrophobicContact CG-CG1 4.17Å; T166-V179 WeakPolarHBondContact O-CA 3.47Å; V167-V179 HydrophobicContact CG1-CG2 4.17Å; V167-V179 HydrophobicContact CG2-CG1 4.46Å; L175-V179 PolarHBondContact O-N 3.31Å; P176-V179 PolarHBondContact O-N 2.72Å; V179-K181 HydrophobicContact CG1-CG 4.45Å
180T97.6Very high96.5Very high17 Ų1742.7 Ų42.710%0.10421%0.206CC..EExtended strand (participates in β ladder)trans-123.8147.6170.1800000110.6C165 T166 M279C165-T180 CarbonylContact C-O 3.57Å; C165-T180 WeakPolarHBondContact CA-O 3.19Å; C165-T180 WeakPolarHBondContact CB-O 3.33Å; T166-T180 PolarHBondContact N-O 3.34Å; T166-T180 PolarHBondContact O-N 3.14Å; T166-T180 PolarHBondContact OG1-OG1 2.88Å; T180-M279 WeakPolarHBondContact OG1-CB 3.39Å; T180-M279 VanDerWaalsContact OG1-CE 3.27Å; T180-M279 WeakPolarHBondContact OG1-CE 3.38Å
181K96.1Very high96.3Very high68 Ų6844.1 Ų44.130%0.29621%0.214SC..EExtended strand (participates in β ladder)trans-130.9140.3-178.6-66.4-175.4178.5-176.70110.3S113 T164 C165 V179S113-K181 WeakPolarHBondContact O-CE 3.47Å; S113-K181 PolarHBondContact O-NZ 2.54Å; T164-K181 CarbonylContact O-C 3.48Å; T164-K181 WeakPolarHBondContact O-CA 3.45Å; C165-K181 HydrophobicContact CB-CG 4.27Å; V179-K181 HydrophobicContact CG1-CG 4.45Å
182L96.4Very high96.3Very high0 Ų038.8 Ų38.80%019%0.189CC..EExtended strand (participates in β ladder)trans-127124.6173.3172.466.7000108.2T164 V184 P266 M279T164-L182 PolarHBondContact N-O 3.05Å; T164-L182 PolarHBondContact O-N 3.19Å; L182-V184 HydrophobicContact CD1-CB 4.09Å; L182-V184 HydrophobicContact CD1-CG2 3.91Å; L182-V184 HydrophobicContact CD2-CB 4.03Å; L182-V184 HydrophobicContact CG-CB 3.8Å; L182-V184 HydrophobicContact CG-CG2 4.19Å; L182-V184 PolarHBondContact O-N 3.11Å; L182-V184 VanDerWaalsContact O-N 3.08Å; L182-P266 HydrophobicContact CD1-CB 3.92Å; L182-P266 HydrophobicContact CD1-CG 4.22Å; L182-M279 HydrophobicContact CB-CE 3.52Å; L182-M279 HydrophobicContact CB-SD 3.38Å; L182-M279 WeakPolarHBondContact CB-SD 3.47Å; L182-M279 HydrophobicContact CD2-SD 3.79Å; L182-M279 HydrophobicContact CG-SD 4.15Å
183H94.9Very high96.4Very high94 Ų9438.1 Ų38.144%0.43518%0.182SC..SBendtrans-85.244175.5-62.7-49.3000111.1R77R77-H183 PolarHBondContact NH1-O 2.63Å
184V97.1Very high96.4Very high3 Ų333.3 Ų33.32%0.01817%0.169CC..  trans-132.7119.3170.1178.40000106.3T164 L182 D188 A262 P266 L269 C271T164-V184 WeakPolarHBondContact CB-O 3.29Å; T164-V184 PolarHBondContact OG1-O 3.04Å; L182-V184 HydrophobicContact CD1-CB 4.09Å; L182-V184 HydrophobicContact CD1-CG2 3.91Å; L182-V184 HydrophobicContact CD2-CB 4.03Å; L182-V184 HydrophobicContact CG-CB 3.8Å; L182-V184 HydrophobicContact CG-CG2 4.19Å; L182-V184 PolarHBondContact O-N 3.11Å; L182-V184 VanDerWaalsContact O-N 3.08Å; V184-D188 WeakPolarHBondContact CA-OD2 3.48Å; V184-D188 HydrophobicContact CG1-CB 4.28Å; V184-A262 HydrophobicContact CG1-CB 4.12Å; V184-P266 HydrophobicContact CG2-CB 4.08Å; V184-L269 HydrophobicContact CG1-CD1 3.73Å; V184-L269 HydrophobicContact CG2-CD1 4.06Å; V184-C271 HydrophobicContact CG2-CB 4.17Å
185A97.5Very high96.2Very high0 Ų038.4 Ų38.40%019%0.191CC..SBendtrans-153-160.9-176.800000110.7G160 D161 R187 D188 I189G160-A185 WeakPolarHBondContact O-CB 3.33Å; D161-A185 WeakPolarHBondContact O-CB 3.27Å; A185-R187 VanDerWaalsContact C-N 3.28Å; A185-R187 PolarHBondContact O-N 3.22Å; A185-D188 PolarHBondContact N-OD2 2.81Å; A185-D188 PolarHBondContact O-N 2.66Å; A185-I189 VanDerWaalsContact O-CG1 3.29Å; A185-I189 WeakPolarHBondContact O-CG1 3.39Å; A185-I189 PolarHBondContact O-N 3.29Å
186G97.5Very high96Very high1 Ų138.9 Ų38.91%0.0119%0.193CC..Hα-helixtrans-55.3-37.5-172.500000114.9G160 D161 T190 K217 T305G160-G186 PolarHBondContact O-N 3.47Å; D161-G186 PolarHBondContact O-N 2.96Å; G186-T190 PolarHBondContact O-N 3.42Å; G186-T190 PolarHBondContact O-OG1 3.29Å; G186-T190 VanDerWaalsContact O-OG1 3.04Å; G186-K217 PolarHBondContact O-NZ 3.22Å; G186-T305 VanDerWaalsContact CA-OG1 3.23Å; G186-T305 WeakPolarHBondContact CA-OG1 3.38Å; G186-T305 PolarHBondContact N-OG1 2.91Å
187R95.9Very high95.8Very high68 Ų6835.2 Ų35.226%0.25717%0.169SC..Hα-helixtrans-67.8-49.1178.4-172.9-178.6-56.6-176.9-0.7111.7S18 D161 A185 I189 T190 E191S18-R187 PolarHBondContact O-NH2 3.2Å; S18-R187 VanDerWaalsContact O-NH2 3.13Å; D161-R187 VanDerWaalsContact O-CB 3.23Å; D161-R187 WeakPolarHBondContact O-CB 3.4Å; D161-R187 PolarHBondContact O-N 3.4Å; D161-R187 PolarHBondContact OD1-N 3.47Å; D161-R187 IonicContact OD2-CZ 2.81Å; D161-R187 IonicContact OD2-NE 3.24Å; D161-R187 PolarHBondContact OD2-NE 3.28Å; D161-R187 IonicContact OD2-NH2 3.67Å; D161-R187 PolarHBondContact OD2-NH2 2.96Å; A185-R187 VanDerWaalsContact C-N 3.28Å; A185-R187 PolarHBondContact O-N 3.22Å; R187-I189 VanDerWaalsContact C-N 3.25Å; R187-I189 PolarHBondContact O-N 2.96Å; R187-T190 WeakPolarHBondContact O-CB 3.16Å; R187-T190 PolarHBondContact O-N 2.89Å; R187-T190 VanDerWaalsContact O-N 3.15Å; R187-E191 WeakPolarHBondContact O-CG 3.39Å; R187-E191 PolarHBondContact O-N 3.47Å
188D96.7Very high95.4Very high18 Ų1834.7 Ų34.710%0.09617%0.17CC..Hα-helixtrans-62.6-36.5179.9-48.2-85.6000110.5R77 V184 A185 E191 L192 L269R77-D188 IonicContact CZ-OD1 3.7Å; R77-D188 IonicContact NH1-OD1 2.71Å; R77-D188 PolarHBondContact NH1-OD1 2.91Å; R77-D188 IonicContact NH1-OD2 2.89Å; R77-D188 PolarHBondContact NH1-OD2 2.79Å; R77-D188 VanDerWaalsContact NH1-OD2 3.15Å; R77-D188 IonicContact NH2-OD1 2.76Å; R77-D188 PolarHBondContact NH2-OD1 2.9Å; V184-D188 WeakPolarHBondContact CA-OD2 3.48Å; V184-D188 HydrophobicContact CG1-CB 4.28Å; A185-D188 PolarHBondContact N-OD2 2.81Å; A185-D188 PolarHBondContact O-N 2.66Å; D188-E191 PolarHBondContact O-N 3.39Å; D188-L192 PolarHBondContact O-N 3.47Å; D188-L269 HydrophobicContact CB-CD1 4.26Å
189I97.2Very high95Very high0 Ų038.9 Ų38.90%021%0.205CC..Hα-helixtrans-67.8-40.9175-63.9167000111.6A185 R187 E191 L192 L193 K217 A259 L263 T305 F308A185-I189 VanDerWaalsContact O-CG1 3.29Å; A185-I189 WeakPolarHBondContact O-CG1 3.39Å; A185-I189 PolarHBondContact O-N 3.29Å; R187-I189 VanDerWaalsContact C-N 3.25Å; R187-I189 PolarHBondContact O-N 2.96Å; I189-E191 VanDerWaalsContact C-N 3.3Å; I189-E191 PolarHBondContact O-N 3.47Å; I189-L192 PolarHBondContact O-N 2.88Å; I189-L193 VanDerWaalsContact O-CB 3.31Å; I189-L193 WeakPolarHBondContact O-CB 3.28Å; I189-L193 PolarHBondContact O-N 3.16Å; I189-K217 HydrophobicContact CB-CD 4.36Å; I189-K217 HydrophobicContact CG2-CD 3.88Å; I189-K217 HydrophobicContact CG2-CG 4.28Å; I189-A259 HydrophobicContact CG2-CB 4.05Å; I189-L263 HydrophobicContact CD1-CD1 3.97Å; I189-L263 HydrophobicContact CD1-CD2 4.04Å; I189-L263 HydrophobicContact CD1-CG 3.79Å; I189-T305 HydrophobicContact CD1-CG2 3.72Å; I189-F308 HydrophobicContact CD1-CE2 3.83Å; I189-F308 HydrophobicContact CD1-CZ 4.39Å; I189-F308 HydrophobicContact CG2-CZ 4.09Å
190T96.1Very high94.4Very high13 Ų1341.6 Ų41.68%0.0822%0.224CC..Hα-helixtrans-61.5-40.8174.2-62.20000111.1G186 R187 L193 T194 V213 D214 K217G186-T190 PolarHBondContact O-N 3.42Å; G186-T190 PolarHBondContact O-OG1 3.29Å; G186-T190 VanDerWaalsContact O-OG1 3.04Å; R187-T190 WeakPolarHBondContact O-CB 3.16Å; R187-T190 PolarHBondContact O-N 2.89Å; R187-T190 VanDerWaalsContact O-N 3.15Å; T190-L193 PolarHBondContact O-N 3.16Å; T190-T194 PolarHBondContact O-N 2.88Å; T190-T194 PolarHBondContact O-OG1 3.22Å; T190-V213 HydrophobicContact CG2-CB 4.25Å; T190-V213 HydrophobicContact CG2-CG1 4.01Å; T190-D214 HydrophobicContact CG2-CB 4.19Å; T190-D214 PolarHBondContact OG1-OD1 3.26Å; T190-K217 WeakPolarHBondContact OG1-CD 3.4Å; T190-K217 WeakPolarHBondContact OG1-CE 3.41Å; T190-K217 PolarHBondContact OG1-NZ 2.92Å
191E93.8Very high93.8Very high91 Ų9143.6 Ų43.643%0.42525%0.248SC..Hα-helixtrans-65.4-44.7176.8-71.1177.2-174.400111.8R187 D188 I189 L193 T194 Q195R187-E191 WeakPolarHBondContact O-CG 3.39Å; R187-E191 PolarHBondContact O-N 3.47Å; D188-E191 PolarHBondContact O-N 3.39Å; I189-E191 VanDerWaalsContact C-N 3.3Å; I189-E191 PolarHBondContact O-N 3.47Å; E191-L193 PolarHBondContact O-N 3.28Å; E191-T194 WeakPolarHBondContact O-CB 3.25Å; E191-T194 PolarHBondContact O-N 3.19Å; E191-Q195 WeakPolarHBondContact O-CG 3.12Å; E191-Q195 PolarHBondContact O-N 2.82Å; E191-Q195 VanDerWaalsContact O-N 3.12Å
192L95Very high93Very high19 Ų1942.8 Ų42.810%0.09925%0.245CC..Hα-helixtrans-60.9-45.6174.5-179.456.6000111.7D188 I189 T194 Q195 L196 A259 A262 L269D188-L192 PolarHBondContact O-N 3.47Å; I189-L192 PolarHBondContact O-N 2.88Å; L192-T194 VanDerWaalsContact C-N 3.26Å; L192-T194 PolarHBondContact O-N 2.67Å; L192-Q195 WeakPolarHBondContact O-CB 3.42Å; L192-Q195 PolarHBondContact O-N 3.46Å; L192-Q195 VanDerWaalsContact O-N 3.1Å; L192-L196 HydrophobicContact CD1-CD1 4.2Å; L192-L196 HydrophobicContact CD1-CG 4.22Å; L192-L196 HydrophobicContact CG-CD1 3.93Å; L192-L196 HydrophobicContact CG-CG 4.4Å; L192-L196 WeakPolarHBondContact O-CG 3.21Å; L192-L196 PolarHBondContact O-N 3.4Å; L192-A259 HydrophobicContact CG-CB 4.5Å; L192-A262 HydrophobicContact CD2-CB 3.83Å; L192-L269 HydrophobicContact CB-CD2 4.12Å; L192-L269 HydrophobicContact CD1-CD2 4.02Å; L192-L269 HydrophobicContact CD2-CD2 4.06Å; L192-L269 HydrophobicContact CD2-CG 4.44Å; L192-L269 HydrophobicContact CG-CD2 4.28Å
193L95.1Very high91.8Very high0 Ų048 Ų480%028%0.277CS..Hα-helixtrans-59.4-41.4177.6-178.260.5000111I189 T190 E191 Q195 L196 L197 V213 I216 K217 P255 A259I189-L193 VanDerWaalsContact O-CB 3.31Å; I189-L193 WeakPolarHBondContact O-CB 3.28Å; I189-L193 PolarHBondContact O-N 3.16Å; T190-L193 PolarHBondContact O-N 3.16Å; E191-L193 PolarHBondContact O-N 3.28Å; L193-Q195 VanDerWaalsContact C-N 3.3Å; L193-Q195 PolarHBondContact O-N 2.77Å; L193-L196 PolarHBondContact O-N 3.17Å; L193-L197 HydrophobicContact CD1-CD1 4.09Å; L193-L197 HydrophobicContact CD1-CD2 4.44Å; L193-L197 HydrophobicContact CD1-CG 4Å; L193-L197 HydrophobicContact CG-CD1 3.85Å; L193-L197 HydrophobicContact CG-CG 4.22Å; L193-L197 WeakPolarHBondContact O-CB 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.32Å; L193-L197 PolarHBondContact O-N 3.17Å; L193-V213 HydrophobicContact CB-CG1 3.97Å; L193-V213 HydrophobicContact CD2-CG1 3.69Å; L193-V213 HydrophobicContact CG-CG1 3.76Å; L193-I216 HydrophobicContact CD2-CG2 4.21Å; L193-K217 HydrophobicContact CD2-CB 3.75Å; L193-P255 HydrophobicContact CD1-CB 3.92Å; L193-A259 HydrophobicContact CB-CB 3.8Å; L193-A259 HydrophobicContact CD1-CB 4.06Å; L193-A259 HydrophobicContact CG-CB 4.46Å
194T93.1Very high90.6Very high50 Ų5045.5 Ų45.531%0.30727%0.265SS..Hα-helixtrans-57.5-45175.5-54.60000111T190 E191 L192 L198T190-T194 PolarHBondContact O-N 2.88Å; T190-T194 PolarHBondContact O-OG1 3.22Å; E191-T194 WeakPolarHBondContact O-CB 3.25Å; E191-T194 PolarHBondContact O-N 3.19Å; L192-T194 VanDerWaalsContact C-N 3.26Å; L192-T194 PolarHBondContact O-N 2.67Å; T194-L198 WeakPolarHBondContact O-CB 3.4Å; T194-L198 PolarHBondContact O-N 3.39Å
195Q92.1Very high88.6Confident127 Ų12750.2 Ų50.259%0.59330%0.298SS*.Hα-helixtrans-65.6-42.6178.1-66.7176.4-1.100112.4E191 L192 L193 L198 A199E191-Q195 WeakPolarHBondContact O-CG 3.12Å; E191-Q195 PolarHBondContact O-N 2.82Å; E191-Q195 VanDerWaalsContact O-N 3.12Å; L192-Q195 WeakPolarHBondContact O-CB 3.42Å; L192-Q195 PolarHBondContact O-N 3.46Å; L192-Q195 VanDerWaalsContact O-N 3.1Å; L193-Q195 VanDerWaalsContact C-N 3.3Å; L193-Q195 PolarHBondContact O-N 2.77Å; Q195-L198 PolarHBondContact O-N 3.34Å; Q195-A199 WeakPolarHBondContact O-CB 3.43Å; Q195-A199 PolarHBondContact O-N 3.12Å
196L93Very high86.3Confident40 Ų4054.9 Ų54.921%0.20933%0.33CS..Hα-helixtrans-67.3-39.4179.7-67.8168.1000112.1L192 L193 A199 S200 P255 Q258 A259L192-L196 HydrophobicContact CD1-CD1 4.2Å; L192-L196 HydrophobicContact CD1-CG 4.22Å; L192-L196 HydrophobicContact CG-CD1 3.93Å; L192-L196 HydrophobicContact CG-CG 4.4Å; L192-L196 WeakPolarHBondContact O-CG 3.21Å; L192-L196 PolarHBondContact O-N 3.4Å; L193-L196 PolarHBondContact O-N 3.17Å; L196-A199 PolarHBondContact O-N 2.69Å; L196-S200 WeakPolarHBondContact O-CB 3.43Å; L196-S200 PolarHBondContact O-N 3.1Å; L196-S200 PolarHBondContact O-OG 2.75Å; L196-P255 HydrophobicContact CB-CB 3.83Å; L196-P255 HydrophobicContact CB-CG 4.13Å; L196-Q258 HydrophobicContact CD1-CB 3.86Å; L196-A259 HydrophobicContact CD1-CB 4.14Å
197L91.9Very high84Confident1 Ų160.8 Ų60.81%0.00536%0.357CS..Hα-helixtrans-65.5-41.8175.5-69.1174.2000111.4L193 S200 G201 H202 F204 V213 I216 L252 P255L193-L197 HydrophobicContact CD1-CD1 4.09Å; L193-L197 HydrophobicContact CD1-CD2 4.44Å; L193-L197 HydrophobicContact CD1-CG 4Å; L193-L197 HydrophobicContact CG-CD1 3.85Å; L193-L197 HydrophobicContact CG-CG 4.22Å; L193-L197 WeakPolarHBondContact O-CB 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.32Å; L193-L197 PolarHBondContact O-N 3.17Å; L197-S200 CarbonylContact O-C 3.51Å; L197-S200 PolarHBondContact O-N 3.37Å; L197-S200 VanDerWaalsContact O-N 3.15Å; L197-G201 PolarHBondContact O-N 3.06Å; L197-H202 HydrophobicContact CB-CB 4.35Å; L197-H202 WeakPolarHBondContact O-CB 3.17Å; L197-H202 PolarHBondContact O-N 2.96Å; L197-F204 HydrophobicContact CB-CE2 3.84Å; L197-F204 HydrophobicContact CD1-CE2 3.71Å; L197-F204 HydrophobicContact CD1-CZ 4.06Å; L197-F204 HydrophobicContact CG-CE2 4.36Å; L197-V213 HydrophobicContact CD1-CG1 4.29Å; L197-V213 HydrophobicContact CD1-CG2 4.34Å; L197-I216 HydrophobicContact CD1-CD1 4.49Å; L197-L252 HydrophobicContact CD2-CD1 4.37Å; L197-L252 HydrophobicContact CD2-CD2 3.47Å; L197-L252 VanDerWaalsContact CD2-CD2 3.47Å; L197-L252 HydrophobicContact CD2-CG 4.46Å; L197-P255 HydrophobicContact CD2-CB 4.12Å; L197-P255 HydrophobicContact CD2-CG 4.37Å
198L90.2Very high81.9Confident106 Ų10663 Ų6356%0.55537%0.373SS*.Hα-helixtrans-61.1-45174.4-177.664.5000111.6T194 Q195 S200 G201 H202 T203T194-L198 WeakPolarHBondContact O-CB 3.4Å; T194-L198 PolarHBondContact O-N 3.39Å; Q195-L198 PolarHBondContact O-N 3.34Å; L198-S200 PolarHBondContact O-N 3.12Å; L198-G201 PolarHBondContact O-N 3.27Å; L198-H202 WeakPolarHBondContact CA-O 3.34Å; L198-T203 HydrophobicContact CD1-CG2 3.88Å
199A89.3Confident80.6Confident89 Ų8963.5 Ų63.574%0.73638%0.376SS*.Hα-helixtrans-63.2-28.4176.400000112.9Q195 L196 G201Q195-A199 WeakPolarHBondContact O-CB 3.43Å; Q195-A199 PolarHBondContact O-N 3.12Å; L196-A199 PolarHBondContact O-N 2.69Å; A199-G201 PolarHBondContact O-N 3.35Å
200S86.3Confident79.7Confident69 Ų6969.1 Ų69.148%0.48340%0.4SS..THydrogen-bonded Turntrans-81.83.1175.8-54.30000113.5L196 L197 L198L196-S200 WeakPolarHBondContact O-CB 3.43Å; L196-S200 PolarHBondContact O-N 3.1Å; L196-S200 PolarHBondContact O-OG 2.75Å; L197-S200 CarbonylContact O-C 3.51Å; L197-S200 PolarHBondContact O-N 3.37Å; L197-S200 VanDerWaalsContact O-N 3.15Å; L198-S200 PolarHBondContact O-N 3.12Å
201G84Confident79.2Confident59 Ų5971 Ų7161%0.60842%0.423SS*.THydrogen-bonded Turntrans89.85.5178.100000115.2L197 L198 A199 T203L197-G201 PolarHBondContact O-N 3.06Å; L198-G201 PolarHBondContact O-N 3.27Å; A199-G201 PolarHBondContact O-N 3.35Å; G201-T203 PolarHBondContact O-N 2.73Å
202H79.5Confident79Confident50 Ų5067.9 Ų67.923%0.23141%0.409CS..  trans-87.6100.6173.6-61.7-65.5000109.8L197 L198 F204L197-H202 HydrophobicContact CB-CB 4.35Å; L197-H202 WeakPolarHBondContact O-CB 3.17Å; L197-H202 PolarHBondContact O-N 2.96Å; L198-H202 WeakPolarHBondContact CA-O 3.34Å; H202-F204 HydrophobicContact CB-CE2 4.08Å; H202-F204 HydrophobicContact CB-CZ 4.04Å
203T71.9Confident78.9Confident109 Ų10967 Ų6767%0.66940%0.404SS*.  trans-89.7117.7171.251.60000109.8L198 G201L198-T203 HydrophobicContact CD1-CG2 3.88Å; G201-T203 PolarHBondContact O-N 2.73Å
204F69.3Low78.8Confident42 Ų4268.7 Ų68.718%0.18441%0.413CS..  trans-96.3148165.5-48.6-80.5000108.4L197 H202 D209 L212 V213 I216 L244 I250L197-F204 HydrophobicContact CB-CE2 3.84Å; L197-F204 HydrophobicContact CD1-CE2 3.71Å; L197-F204 HydrophobicContact CD1-CZ 4.06Å; L197-F204 HydrophobicContact CG-CE2 4.36Å; H202-F204 HydrophobicContact CB-CE2 4.08Å; H202-F204 HydrophobicContact CB-CZ 4.04Å; F204-D209 WeakPolarHBondContact CA-OD2 3.3Å; F204-D209 HydrophobicContact CB-CB 3.69Å; F204-D209 VanDerWaalsContact CB-OD1 3.29Å; F204-D209 WeakPolarHBondContact CB-OD1 3.3Å; F204-D209 WeakPolarHBondContact CB-OD2 3.38Å; F204-L212 HydrophobicContact CD1-CD2 3.66Å; F204-L212 HydrophobicContact CE1-CD2 3.88Å; F204-L212 HydrophobicContact CG-CD2 4.48Å; F204-V213 HydrophobicContact CD2-CG2 4.3Å; F204-V213 HydrophobicContact CE2-CG2 4.27Å; F204-I216 HydrophobicContact CZ-CD1 4.26Å; F204-L244 HydrophobicContact CE1-CD2 4.18Å; F204-I250 HydrophobicContact CE1-CD1 4.18Å; F204-I250 HydrophobicContact CZ-CD1 4.18Å
205S54.1Low78.9Confident103 Ų10368.4 Ų68.472%0.7241%0.41SS*.  trans-103.1107.4-176.6-61.60000111.7D209S205-D209 WeakPolarHBondContact CA-OD2 3.3Å; S205-D209 PolarHBondContact N-OD1 2.92Å; S205-D209 PolarHBondContact N-OD2 2.96Å
206C50.4Low79.1Confident97 Ų9762.4 Ų62.466%0.65538%0.382SS*.SBendtrans82.5168.9166.4-163.40000117.2L208 D209C206-L208 PolarHBondContact O-N 2.9Å; C206-D209 PolarHBondContact N-OD2 3.25Å; C206-D209 VanDerWaalsContact N-OD2 3.09Å; C206-D209 VanDerWaalsContact O-CB 3.24Å; C206-D209 WeakPolarHBondContact O-CB 3.47Å; C206-D209 PolarHBondContact O-N 3.38Å
207E48.4Very low79.2Confident126 Ų12661 Ų6159%0.58937%0.374SS*.THydrogen-bonded Turntrans-53.1-17.3-175.3-65-156.8138.700115.9D209 K210E207-D209 PolarHBondContact O-N 3.02Å; E207-K210 PolarHBondContact O-N 3.42Å
208L52.5Low79.5Confident113 Ų11367.6 Ų67.659%0.59240%0.403SS*.THydrogen-bonded Turntrans-59.5-17.7167.6-82.8126.5000113.2C206C206-L208 PolarHBondContact O-N 2.9Å
209D70Confident79.8Confident30 Ų3068.8 Ų68.816%0.1640%0.403CS..Hα-helixtrans-76-19.8-179.1-60.5-34000113.8F204 S205 C206 E207 G211 L212 V213F204-D209 WeakPolarHBondContact CA-OD2 3.3Å; F204-D209 HydrophobicContact CB-CB 3.69Å; F204-D209 VanDerWaalsContact CB-OD1 3.29Å; F204-D209 WeakPolarHBondContact CB-OD1 3.3Å; F204-D209 WeakPolarHBondContact CB-OD2 3.38Å; S205-D209 WeakPolarHBondContact CA-OD2 3.3Å; S205-D209 PolarHBondContact N-OD1 2.92Å; S205-D209 PolarHBondContact N-OD2 2.96Å; C206-D209 PolarHBondContact N-OD2 3.25Å; C206-D209 VanDerWaalsContact N-OD2 3.09Å; C206-D209 VanDerWaalsContact O-CB 3.24Å; C206-D209 WeakPolarHBondContact O-CB 3.47Å; C206-D209 PolarHBondContact O-N 3.38Å; E207-D209 PolarHBondContact O-N 3.02Å; D209-G211 VanDerWaalsContact C-N 3.34Å; D209-G211 PolarHBondContact O-N 2.9Å; D209-L212 WeakPolarHBondContact O-CB 3.31Å; D209-L212 PolarHBondContact O-N 2.76Å; D209-V213 VanDerWaalsContact O-CG2 3.32Å; D209-V213 WeakPolarHBondContact O-CG2 3.45Å; D209-V213 PolarHBondContact O-N 2.82Å
210K78.2Confident80.1Confident117 Ų11766.1 Ų66.151%0.50938%0.377SS..Hα-helixtrans-65.3-39.7-179-72.3-172.9178.2-177.90112E207 L212 D214E207-K210 PolarHBondContact O-N 3.42Å; K210-L212 VanDerWaalsContact C-N 3.33Å; K210-D214 VanDerWaalsContact O-CB 3.25Å; K210-D214 WeakPolarHBondContact O-CB 3.21Å; K210-D214 PolarHBondContact O-N 2.92Å
211G85.7Confident80.6Confident53 Ų5363.3 Ų63.355%0.54636%0.357SS..Hα-helixtrans-66.4-36.8175.100000112.2D209 D215D209-G211 VanDerWaalsContact C-N 3.34Å; D209-G211 PolarHBondContact O-N 2.9Å; G211-D215 PolarHBondContact O-N 2.99Å
212L89.6Confident81.3Confident25 Ų2561.8 Ų61.813%0.13133%0.333CS..Hα-helixtrans-65.7-49.3175.3178.768.1000111.8F204 D209 K210 D214 D215 I216 Y242 L244 P245F204-L212 HydrophobicContact CD1-CD2 3.66Å; F204-L212 HydrophobicContact CE1-CD2 3.88Å; F204-L212 HydrophobicContact CG-CD2 4.48Å; D209-L212 WeakPolarHBondContact O-CB 3.31Å; D209-L212 PolarHBondContact O-N 2.76Å; K210-L212 VanDerWaalsContact C-N 3.33Å; L212-D214 VanDerWaalsContact C-N 3.3Å; L212-D214 PolarHBondContact O-N 2.84Å; L212-D215 WeakPolarHBondContact O-CB 3.35Å; L212-D215 PolarHBondContact O-N 3.29Å; L212-D215 VanDerWaalsContact O-N 3.16Å; L212-I216 HydrophobicContact CG-CD1 4.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.29Å; L212-I216 PolarHBondContact O-N 2.84Å; L212-Y242 HydrophobicContact CD1-CE1 3.67Å; L212-Y242 WeakPolarHBondContact CD1-OH 3.5Å; L212-L244 HydrophobicContact CD1-CD2 4.15Å; L212-L244 HydrophobicContact CD2-CD2 3.82Å; L212-L244 HydrophobicContact CG-CD2 4.48Å; L212-P245 HydrophobicContact CD1-CG 4.2Å
213V92.9Very high82.2Confident0 Ų059.7 Ų59.70%032%0.323CS..Hα-helixtrans-65.3-36.1178.7178.90000110.9T190 L193 L197 F204 D209 I216 K217T190-V213 HydrophobicContact CG2-CB 4.25Å; T190-V213 HydrophobicContact CG2-CG1 4.01Å; L193-V213 HydrophobicContact CB-CG1 3.97Å; L193-V213 HydrophobicContact CD2-CG1 3.69Å; L193-V213 HydrophobicContact CG-CG1 3.76Å; L197-V213 HydrophobicContact CD1-CG1 4.29Å; L197-V213 HydrophobicContact CD1-CG2 4.34Å; F204-V213 HydrophobicContact CD2-CG2 4.3Å; F204-V213 HydrophobicContact CE2-CG2 4.27Å; D209-V213 VanDerWaalsContact O-CG2 3.32Å; D209-V213 WeakPolarHBondContact O-CG2 3.45Å; D209-V213 PolarHBondContact O-N 2.82Å; V213-I216 PolarHBondContact O-N 3.26Å; V213-K217 WeakPolarHBondContact O-CB 3.1Å; V213-K217 PolarHBondContact O-N 3.48Å
214D93.3Very high83.3Confident36 Ų3654.6 Ų54.619%0.19329%0.292CS..Hα-helixtrans-64.1-37.7172.5-175.464.7000112.5T190 K210 L212 K217 K218T190-D214 HydrophobicContact CG2-CB 4.19Å; T190-D214 PolarHBondContact OG1-OD1 3.26Å; K210-D214 VanDerWaalsContact O-CB 3.25Å; K210-D214 WeakPolarHBondContact O-CB 3.21Å; K210-D214 PolarHBondContact O-N 2.92Å; L212-D214 VanDerWaalsContact C-N 3.3Å; L212-D214 PolarHBondContact O-N 2.84Å; D214-K217 WeakPolarHBondContact O-CB 3.27Å; D214-K217 PolarHBondContact O-N 2.9Å; D214-K217 WeakPolarHBondContact OD1-CE 3.05Å; D214-K217 IonicContact OD1-NZ 2.78Å; D214-K217 PolarHBondContact OD1-NZ 2.89Å; D214-K218 WeakPolarHBondContact O-CB 3.28Å; D214-K218 VanDerWaalsContact O-CG 3.28Å; D214-K218 WeakPolarHBondContact O-CG 3.48Å; D214-K218 PolarHBondContact O-N 2.72Å; D214-K218 WeakPolarHBondContact OD2-CE 3.24Å; D214-K218 IonicContact OD2-NZ 3.72Å; D214-K218 PolarHBondContact OD2-NZ 3.27Å
215D94.4Very high84.6Confident45 Ų4556.4 Ų56.424%0.24130%0.304CS..Hα-helixtrans-67.8-42.2173.5-175.273.7000112.2G211 L212 K217 K218 K219 Y242G211-D215 PolarHBondContact O-N 2.99Å; L212-D215 WeakPolarHBondContact O-CB 3.35Å; L212-D215 PolarHBondContact O-N 3.29Å; L212-D215 VanDerWaalsContact O-N 3.16Å; D215-K217 VanDerWaalsContact C-N 3.34Å; D215-K217 PolarHBondContact O-N 3.49Å; D215-K218 PolarHBondContact O-N 3.36Å; D215-K219 WeakPolarHBondContact O-CB 3.42Å; D215-K219 WeakPolarHBondContact O-CG 3.29Å; D215-K219 PolarHBondContact O-N 2.97Å; D215-K219 WeakPolarHBondContact OD1-CE 3.23Å; D215-K219 IonicContact OD1-NZ 2.78Å; D215-K219 PolarHBondContact OD1-NZ 3.22Å; D215-K219 WeakPolarHBondContact OD2-CD 3.42Å; D215-K219 WeakPolarHBondContact OD2-CE 3.21Å; D215-K219 IonicContact OD2-NZ 3.52Å; D215-K219 PolarHBondContact OD2-NZ 2.62Å; D215-Y242 VanDerWaalsContact OD2-CE2 3.29Å; D215-Y242 WeakPolarHBondContact OD2-CE2 3.44Å; D215-Y242 PolarHBondContact OD2-OH 2.87Å
216I95.2Very high86.4Confident0 Ų055 Ų550%029%0.285CS..Hα-helixtrans-57.4-49.2171.7-69.4168.1000109.9L193 L197 F204 L212 V213 K218 K219 L220 Y242 I250 L252 L256L193-I216 HydrophobicContact CD2-CG2 4.21Å; L197-I216 HydrophobicContact CD1-CD1 4.49Å; F204-I216 HydrophobicContact CZ-CD1 4.26Å; L212-I216 HydrophobicContact CG-CD1 4.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.29Å; L212-I216 PolarHBondContact O-N 2.84Å; V213-I216 PolarHBondContact O-N 3.26Å; I216-K218 PolarHBondContact O-N 3.27Å; I216-K219 PolarHBondContact O-N 2.95Å; I216-L220 HydrophobicContact CG2-CD1 4.45Å; I216-L220 WeakPolarHBondContact O-CB 3.34Å; I216-L220 PolarHBondContact O-N 2.86Å; I216-Y242 HydrophobicContact CD1-CD1 4.28Å; I216-Y242 HydrophobicContact CD1-CE1 4.35Å; I216-Y242 HydrophobicContact CG1-CD1 4.02Å; I216-Y242 HydrophobicContact CG1-CD2 3.77Å; I216-Y242 HydrophobicContact CG1-CE1 3.96Å; I216-Y242 HydrophobicContact CG1-CE2 3.67Å; I216-Y242 HydrophobicContact CG1-CG 3.93Å; I216-I250 HydrophobicContact CD1-CD1 4.41Å; I216-L252 HydrophobicContact CD1-CD1 4.25Å; I216-L252 HydrophobicContact CG1-CD1 4.45Å; I216-L252 HydrophobicContact CG2-CD1 3.48Å; I216-L252 VanDerWaalsContact CG2-CD1 3.48Å; I216-L256 HydrophobicContact CG2-CD2 4.14Å
217K97Very high88.4Confident12 Ų1251.7 Ų51.75%0.05226%0.263CS..Hα-helixtrans-54.5-52.6177.2179-166.969.5-174.30110.8G186 I189 T190 L193 V213 D214 D215 K219 C221 F308G186-K217 PolarHBondContact O-NZ 3.22Å; I189-K217 HydrophobicContact CB-CD 4.36Å; I189-K217 HydrophobicContact CG2-CD 3.88Å; I189-K217 HydrophobicContact CG2-CG 4.28Å; T190-K217 WeakPolarHBondContact OG1-CD 3.4Å; T190-K217 WeakPolarHBondContact OG1-CE 3.41Å; T190-K217 PolarHBondContact OG1-NZ 2.92Å; L193-K217 HydrophobicContact CD2-CB 3.75Å; V213-K217 WeakPolarHBondContact O-CB 3.1Å; V213-K217 PolarHBondContact O-N 3.48Å; D214-K217 WeakPolarHBondContact O-CB 3.27Å; D214-K217 PolarHBondContact O-N 2.9Å; D214-K217 WeakPolarHBondContact OD1-CE 3.05Å; D214-K217 IonicContact OD1-NZ 2.78Å; D214-K217 PolarHBondContact OD1-NZ 2.89Å; D215-K217 VanDerWaalsContact C-N 3.34Å; D215-K217 PolarHBondContact O-N 3.49Å; K217-K219 VanDerWaalsContact C-N 3.32Å; K217-K219 PolarHBondContact O-N 2.8Å; K217-C221 HydrophobicContact CG-CB 4.44Å; K217-C221 VanDerWaalsContact O-CB 3.24Å; K217-C221 WeakPolarHBondContact O-CB 3.17Å; K217-C221 PolarHBondContact O-N 3.12Å; K217-F308 HydrophobicContact CD-CZ 4.01Å; K217-F308 HydrophobicContact CG-CE1 3.79Å; K217-F308 HydrophobicContact CG-CZ 3.72Å
218K96.5Very high90.3Very high138 Ų13853.3 Ų53.360%0.627%0.271SS*.Hα-helixtrans-63.5-35.7-177.2-74.2166.6174.5168.10113.1D214 D215 I216D214-K218 WeakPolarHBondContact O-CB 3.28Å; D214-K218 VanDerWaalsContact O-CG 3.28Å; D214-K218 WeakPolarHBondContact O-CG 3.48Å; D214-K218 PolarHBondContact O-N 2.72Å; D214-K218 WeakPolarHBondContact OD2-CE 3.24Å; D214-K218 IonicContact OD2-NZ 3.72Å; D214-K218 PolarHBondContact OD2-NZ 3.27Å; D215-K218 PolarHBondContact O-N 3.36Å; I216-K218 PolarHBondContact O-N 3.27Å
219K96.4Very high92.2Very high132 Ų13253.2 Ų53.257%0.57427%0.265SS*.Hα-helixtrans-88.4-35.9-174.8-73.6175.9179.1158.30114.2D215 I216 K217 Y242D215-K219 WeakPolarHBondContact O-CB 3.42Å; D215-K219 WeakPolarHBondContact O-CG 3.29Å; D215-K219 PolarHBondContact O-N 2.97Å; D215-K219 WeakPolarHBondContact OD1-CE 3.23Å; D215-K219 IonicContact OD1-NZ 2.78Å; D215-K219 PolarHBondContact OD1-NZ 3.22Å; D215-K219 WeakPolarHBondContact OD2-CD 3.42Å; D215-K219 WeakPolarHBondContact OD2-CE 3.21Å; D215-K219 IonicContact OD2-NZ 3.52Å; D215-K219 PolarHBondContact OD2-NZ 2.62Å; I216-K219 PolarHBondContact O-N 2.95Å; K217-K219 VanDerWaalsContact C-N 3.32Å; K217-K219 PolarHBondContact O-N 2.8Å; K219-Y242 HydrophobicContact CD-CE2 4.25Å
220L96.8Very high93Very high33 Ų3352.7 Ų52.717%0.17326%0.262CS..Hα-helixtrans-120.6-23.5-164-59.3-174.3000114.6I216 R240 Y242 L252 L256I216-L220 HydrophobicContact CG2-CD1 4.45Å; I216-L220 WeakPolarHBondContact O-CB 3.34Å; I216-L220 PolarHBondContact O-N 2.86Å; L220-R240 HydrophobicContact CD1-CB 4.19Å; L220-R240 HydrophobicContact CD2-CB 4.13Å; L220-Y242 HydrophobicContact CD1-CD2 3.86Å; L220-Y242 HydrophobicContact CD1-CG 4.26Å; L220-Y242 HydrophobicContact CG-CD2 4.46Å; L220-L252 HydrophobicContact CD1-CD1 4.12Å; L220-L256 HydrophobicContact CB-CD1 4.01Å; L220-L256 HydrophobicContact CB-CD2 3.72Å; L220-L256 HydrophobicContact CB-CG 4.48Å
221C97.6Very high93.3Very high9 Ų952.6 Ų52.66%0.06127%0.266CS..  trans-72.2149178.6-74.30000112K217 L256 P260 F308K217-C221 HydrophobicContact CG-CB 4.44Å; K217-C221 VanDerWaalsContact O-CB 3.24Å; K217-C221 WeakPolarHBondContact O-CB 3.17Å; K217-C221 PolarHBondContact O-N 3.12Å; C221-L256 WeakPolarHBondContact CA-O 3.5Å; C221-L256 WeakPolarHBondContact CB-O 3.49Å; C221-L256 PolarHBondContact SG-O 3.3Å; C221-P260 HydrophobicContact CB-CG 3.74Å; C221-F308 HydrophobicContact CB-CD1 3.94Å; C221-F308 HydrophobicContact CB-CE1 3.52Å; C221-F308 HydrophobicContact CB-CZ 4.45Å
222Y97.5Very high93.3Very high28 Ų2854.8 Ų54.811%0.1127%0.274CS..BIsolated β-bridgetrans-147.9159.317964.1-83.7000110.3A224 E230 L256 Y257Y222-A224 HydrophobicContact CE2-CB 4.38Å; Y222-E230 PolarHBondContact OH-OE2 2.91Å; Y222-L256 HydrophobicContact CE1-CB 4.29Å; Y222-L256 PolarHBondContact N-O 2.99Å; Y222-Y257 WeakPolarHBondContact O-CA 3.41Å
223V98Very high93.2Very high5 Ų558 Ų583%0.0328%0.284CS..  trans-93.9121172.4174.10000108.3P260 F264 F308 H309 L311 R314V223-P260 HydrophobicContact CG2-CB 3.88Å; V223-F264 HydrophobicContact CG1-CD2 4.29Å; V223-F264 HydrophobicContact CG1-CE2 3.6Å; V223-F264 HydrophobicContact CG1-CZ 4.13Å; V223-F264 HydrophobicContact CG2-CE2 4.17Å; V223-F308 HydrophobicContact CG2-CB 3.84Å; V223-F308 HydrophobicContact CG2-CG 4.42Å; V223-H309 PolarHBondContact N-O 3.48Å; V223-L311 HydrophobicContact CB-CB 4.34Å; V223-L311 HydrophobicContact CG2-CB 3.95Å; V223-L311 HydrophobicContact CG2-CD1 4.29Å; V223-L311 HydrophobicContact CG2-CG 4.4Å; V223-R314 HydrophobicContact CG1-CB 3.53Å; V223-R314 HydrophobicContact CG1-CG 3.66Å
224A95.9Very high92.8Very high2 Ų266.1 Ų66.12%0.01732%0.315CS..  trans-75.8139.1175.500000111Y222 E226 P227 E230 Y257 R314Y222-A224 HydrophobicContact CE2-CB 4.38Å; A224-E226 VanDerWaalsContact C-N 3.29Å; A224-E226 PolarHBondContact O-N 3.44Å; A224-P227 HydrophobicContact CB-CG 4.47Å; A224-E230 HydrophobicContact CB-CG 3.51Å; A224-Y257 HydrophobicContact CB-CD2 4.29Å; A224-R314 WeakPolarHBondContact O-CD 3.45Å; A224-R314 PolarHBondContact O-NH1 3.38Å
225L95.4Very high92.2Very high81 Ų8168.8 Ų68.842%0.42433%0.334SS..SBendtrans-67.2-32.7175.5-170.965.2000112.2D313 R314 K317L225-D313 HydrophobicContact CD1-CB 4.35Å; L225-R314 WeakPolarHBondContact O-CD 3.22Å; L225-K317 HydrophobicContact CD1-CB 4.01Å; L225-K317 HydrophobicContact CD1-CD 3.55Å; L225-K317 HydrophobicContact CD1-CG 4.43Å; L225-K317 HydrophobicContact CD2-CD 4.32Å; L225-K317 HydrophobicContact CG-CD 3.76Å
226E93.6Very high91.5Very high72 Ų7275 Ų7534%0.33636%0.361SS..  trans-143.590.9177.8-67.3-178.483.100109.4A224 E228 K229 E230 K317A224-E226 VanDerWaalsContact C-N 3.29Å; A224-E226 PolarHBondContact O-N 3.44Å; E226-E228 PolarHBondContact O-N 2.95Å; E226-K229 HydrophobicContact CB-CB 4.13Å; E226-K229 HydrophobicContact CB-CD 3.97Å; E226-K229 HydrophobicContact CB-CG 4.02Å; E226-K229 VanDerWaalsContact CD-CE 3.45Å; E226-K229 HydrophobicContact CG-CD 4.39Å; E226-K229 PolarHBondContact O-N 3.34Å; E226-K229 WeakPolarHBondContact OE1-CE 3.5Å; E226-K229 IonicContact OE1-NZ 2.63Å; E226-K229 PolarHBondContact OE1-NZ 2.88Å; E226-K229 IonicContact OE2-NZ 2.88Å; E226-K229 PolarHBondContact OE2-NZ 2.87Å; E226-E230 PolarHBondContact O-N 3.07Å; E226-K317 IonicContact OE1-NZ 2.67Å; E226-K317 IonicContact OE2-NZ 3.53Å; E226-K317 PolarHBondContact OE2-NZ 2.96Å
227P90.8Very high90.8Very high29 Ų2979.1 Ų79.119%0.18838%0.38CS..Hα-helixtrans-55.5-36.3-175.4-26.534.4000113.5A224 K229 E230 E261A224-P227 HydrophobicContact CB-CG 4.47Å; P227-K229 PolarHBondContact O-N 3.21Å; P227-E230 WeakPolarHBondContact O-CB 3.46Å; P227-E230 PolarHBondContact O-N 2.91Å; P227-E230 VanDerWaalsContact O-N 3.17Å; P227-E261 HydrophobicContact CG-CG 4.46Å; P227-E261 WeakPolarHBondContact CG-OE2 3.38Å
228E89.9Confident90.1Very high160 Ų16078.8 Ų78.875%0.74838%0.38SS*.Hα-helixtrans-60-32.1177.5-56.4-68.5175.200112.7E226E226-E228 PolarHBondContact O-N 2.95Å
229K90.6Very high89.8Confident111 Ų11176 Ų7648%0.48337%0.371SS..Hα-helixtrans-82.1-23.4179.9-68.2-175.1-179.5166.20112.5E226 P227 L231 S232E226-K229 HydrophobicContact CB-CB 4.13Å; E226-K229 HydrophobicContact CB-CD 3.97Å; E226-K229 HydrophobicContact CB-CG 4.02Å; E226-K229 VanDerWaalsContact CD-CE 3.45Å; E226-K229 HydrophobicContact CG-CD 4.39Å; E226-K229 PolarHBondContact O-N 3.34Å; E226-K229 WeakPolarHBondContact OE1-CE 3.5Å; E226-K229 IonicContact OE1-NZ 2.63Å; E226-K229 PolarHBondContact OE1-NZ 2.88Å; E226-K229 IonicContact OE2-NZ 2.88Å; E226-K229 PolarHBondContact OE2-NZ 2.87Å; P227-K229 PolarHBondContact O-N 3.21Å; K229-L231 PolarHBondContact O-N 3.39Å; K229-S232 PolarHBondContact O-N 3.06Å; K229-S232 VanDerWaalsContact O-N 3.08Å; K229-S232 PolarHBondContact O-OG 3.28Å
230E88.3Confident89.7Confident19 Ų1974.4 Ų74.49%0.08936%0.361CS..Hα-helixtrans-59.9-36.7178.7-71.2-67.9121.600111.6Y222 A224 E226 P227 S232 R233 Y257Y222-E230 PolarHBondContact OH-OE2 2.91Å; A224-E230 HydrophobicContact CB-CG 3.51Å; E226-E230 PolarHBondContact O-N 3.07Å; P227-E230 WeakPolarHBondContact O-CB 3.46Å; P227-E230 PolarHBondContact O-N 2.91Å; P227-E230 VanDerWaalsContact O-N 3.17Å; E230-S232 PolarHBondContact O-N 2.85Å; E230-S232 VanDerWaalsContact O-N 3.1Å; E230-R233 WeakPolarHBondContact O-CB 3.49Å; E230-R233 PolarHBondContact O-N 3.49Å; E230-R233 VanDerWaalsContact OE1-CD 3.22Å; E230-R233 WeakPolarHBondContact OE1-CD 3.41Å; E230-R233 IonicContact OE1-CZ 3.12Å; E230-R233 IonicContact OE1-NE 2.72Å; E230-R233 IonicContact OE1-NH1 3.49Å; E230-R233 PolarHBondContact OE1-NH1 2.99Å; E230-R233 IonicContact OE2-NH1 3.41Å; E230-R233 PolarHBondContact OE2-NH1 3.16Å; E230-Y257 HydrophobicContact CB-CD1 4.19Å; E230-Y257 HydrophobicContact CB-CD2 4.22Å; E230-Y257 HydrophobicContact CB-CE1 3.7Å; E230-Y257 HydrophobicContact CB-CE2 3.75Å; E230-Y257 HydrophobicContact CB-CG 4.43Å; E230-Y257 VanDerWaalsContact CB-CZ 3.47Å; E230-Y257 HydrophobicContact CG-CD1 4.33Å; E230-Y257 HydrophobicContact CG-CD2 4.13Å; E230-Y257 HydrophobicContact CG-CE1 4.33Å; E230-Y257 HydrophobicContact CG-CE2 4.15Å; E230-Y257 HydrophobicContact CG-CG 4.24Å
231L83.4Confident89.5Confident114 Ų11479.6 Ų79.660%0.59738%0.384SS*.THydrogen-bonded Turntrans-60.5-22.4177.3-65.5172.9000114K229 Y257K229-L231 PolarHBondContact O-N 3.39Å; L231-Y257 WeakPolarHBondContact CD2-OH 3.45Å
232S86.8Confident89.3Confident100 Ų10080.2 Ų80.270%0.69939%0.386SS*.THydrogen-bonded Turntrans-95-3.8-179.269.40000113.6K229 E230K229-S232 PolarHBondContact O-N 3.06Å; K229-S232 VanDerWaalsContact O-N 3.08Å; K229-S232 PolarHBondContact O-OG 3.28Å; E230-S232 PolarHBondContact O-N 2.85Å; E230-S232 VanDerWaalsContact O-N 3.1Å
233R87.9Confident89.1Confident91 Ų9185.8 Ų85.834%0.34341%0.411SS..SBendtrans-76.5154.8-179.1-64.2-177.368.7-173.4-2.6111E230 E237 V238E230-R233 WeakPolarHBondContact O-CB 3.49Å; E230-R233 PolarHBondContact O-N 3.49Å; E230-R233 VanDerWaalsContact OE1-CD 3.22Å; E230-R233 WeakPolarHBondContact OE1-CD 3.41Å; E230-R233 IonicContact OE1-CZ 3.12Å; E230-R233 IonicContact OE1-NE 2.72Å; E230-R233 IonicContact OE1-NH1 3.49Å; E230-R233 PolarHBondContact OE1-NH1 2.99Å; E230-R233 IonicContact OE2-NH1 3.41Å; E230-R233 PolarHBondContact OE2-NH1 3.16Å; R233-E237 IonicContact CZ-OE2 3.7Å; R233-E237 IonicContact NE-OE2 3.14Å; R233-E237 PolarHBondContact NE-OE2 3.05Å; R233-E237 IonicContact NH2-OE2 3.81Å; R233-E237 PolarHBondContact NH2-OE2 2.76Å; R233-V238 HydrophobicContact CB-CG2 3.69Å
234R84.7Confident88.6Confident172 Ų17286.9 Ų86.965%0.64942%0.416SS*.  trans-70.5141.5177.6-64.3-179.7-177.1-175.72.8109.7E236 E237R234-E236 PolarHBondContact O-N 3.43Å; R234-E236 VanDerWaalsContact O-N 3.12Å; R234-E237 HydrophobicContact CB-CG 4.35Å; R234-E237 WeakPolarHBondContact O-CB 3.05Å; R234-E237 PolarHBondContact O-N 2.93Å
235P79.6Confident88.2Confident91 Ų9192.5 Ų92.559%0.59145%0.452SS*.Hα-helixtrans-53.1-36.3178.4-28.334.8000113.6E237 V238 L239P235-E237 PolarHBondContact O-N 3.45Å; P235-V238 PolarHBondContact O-N 3.49Å; P235-L239 HydrophobicContact CB-CD1 3.93Å; P235-L239 HydrophobicContact CB-CG 4.39Å; P235-L239 VanDerWaalsContact O-CB 3.26Å; P235-L239 WeakPolarHBondContact O-CB 3.46Å; P235-L239 VanDerWaalsContact O-CG 3.23Å; P235-L239 WeakPolarHBondContact O-CG 3.25Å; P235-L239 PolarHBondContact O-N 2.94Å
236E78.9Confident87.7Confident176 Ų17693.8 Ų93.882%0.82246%0.46SS*.Hα-helixtrans-60.2-26.1177.6-62.9168.5-166.300113.6R234R234-E236 PolarHBondContact O-N 3.43Å; R234-E236 VanDerWaalsContact O-N 3.12Å
237E80.4Confident87.4Confident86 Ų8692 Ų9240%0.40246%0.46SS..Hα-helixtrans-87.1-25.8179.7-62.6177.7-164.400112.8R233 R234 P235 R240R233-E237 IonicContact CZ-OE2 3.7Å; R233-E237 IonicContact NE-OE2 3.14Å; R233-E237 PolarHBondContact NE-OE2 3.05Å; R233-E237 IonicContact NH2-OE2 3.81Å; R233-E237 PolarHBondContact NH2-OE2 2.76Å; R234-E237 HydrophobicContact CB-CG 4.35Å; R234-E237 WeakPolarHBondContact O-CB 3.05Å; R234-E237 PolarHBondContact O-N 2.93Å; P235-E237 PolarHBondContact O-N 3.45Å; E237-R240 PolarHBondContact O-NH1 2.68Å; E237-R240 PolarHBondContact O-NH2 3.45Å
238V83.3Confident87.3Confident6 Ų695.2 Ų95.24%0.03648%0.476CS..Hα-helixtrans-102-38.3-171.7-176.80000111.5R233 P235 R240R233-V238 HydrophobicContact CB-CG2 3.69Å; P235-V238 PolarHBondContact O-N 3.49Å; V238-R240 PolarHBondContact O-N 2.86Å; V238-R240 PolarHBondContact O-NH1 3.1Å
239L90.3Very high87.3Confident80 Ų8092.6 Ų92.642%0.41947%0.466SS..  trans-62.4134.9-178.5-71.3171.6000111.2P235 L252P235-L239 HydrophobicContact CB-CD1 3.93Å; P235-L239 HydrophobicContact CB-CG 4.39Å; P235-L239 VanDerWaalsContact O-CB 3.26Å; P235-L239 WeakPolarHBondContact O-CB 3.46Å; P235-L239 VanDerWaalsContact O-CG 3.23Å; P235-L239 WeakPolarHBondContact O-CG 3.25Å; P235-L239 PolarHBondContact O-N 2.94Å; L239-L252 CarbonylContact C-O 3.59Å; L239-L252 VanDerWaalsContact CA-O 3.32Å; L239-L252 WeakPolarHBondContact CA-O 3.1Å
240R93.2Very high87.3Confident97 Ų9788.3 Ų88.337%0.36645%0.448SS..EExtended strand (participates in β ladder)trans-127139.3174.4-61.7-65.3176.9-91.4-4.9109.5L220 E237 V238 S251 L252 L256L220-R240 HydrophobicContact CD1-CB 4.19Å; L220-R240 HydrophobicContact CD2-CB 4.13Å; E237-R240 PolarHBondContact O-NH1 2.68Å; E237-R240 PolarHBondContact O-NH2 3.45Å; V238-R240 PolarHBondContact O-N 2.86Å; V238-R240 PolarHBondContact O-NH1 3.1Å; R240-S251 CarbonylContact O-C 3.56Å; R240-S251 WeakPolarHBondContact O-CA 3.48Å; R240-L252 PolarHBondContact N-O 3.19Å; R240-L252 PolarHBondContact O-N 3.23Å; R240-L256 HydrophobicContact CB-CD1 3.87Å; R240-L256 HydrophobicContact CG-CD1 3.86Å
241E93.9Very high87.5Confident142 Ų14290.2 Ų90.266%0.66446%0.464SS*.EExtended strand (participates in β ladder)trans-89.5138.7176.3-66.6-175.7166.500110.5I249 I250E241-I249 HydrophobicContact CB-CG2 3.87Å; E241-I249 HydrophobicContact CG-CG2 4.14Å; E241-I250 CarbonylContact C-O 3.6Å; E241-I250 WeakPolarHBondContact CA-O 3.42Å
242Y93.1Very high87.9Confident22 Ų2285 Ų859%0.08644%0.436CS..EExtended strand (participates in β ladder)trans-129.5131.3174.1-174.4-88.7000109.8L212 D215 I216 K219 L220 L244 I249 I250L212-Y242 HydrophobicContact CD1-CE1 3.67Å; L212-Y242 WeakPolarHBondContact CD1-OH 3.5Å; D215-Y242 VanDerWaalsContact OD2-CE2 3.29Å; D215-Y242 WeakPolarHBondContact OD2-CE2 3.44Å; D215-Y242 PolarHBondContact OD2-OH 2.87Å; I216-Y242 HydrophobicContact CD1-CD1 4.28Å; I216-Y242 HydrophobicContact CD1-CE1 4.35Å; I216-Y242 HydrophobicContact CG1-CD1 4.02Å; I216-Y242 HydrophobicContact CG1-CD2 3.77Å; I216-Y242 HydrophobicContact CG1-CE1 3.96Å; I216-Y242 HydrophobicContact CG1-CE2 3.67Å; I216-Y242 HydrophobicContact CG1-CG 3.93Å; K219-Y242 HydrophobicContact CD-CE2 4.25Å; L220-Y242 HydrophobicContact CD1-CD2 3.86Å; L220-Y242 HydrophobicContact CD1-CG 4.26Å; L220-Y242 HydrophobicContact CG-CD2 4.46Å; Y242-L244 HydrophobicContact CD1-CD2 4.06Å; Y242-L244 HydrophobicContact CE1-CD2 4.07Å; Y242-I249 WeakPolarHBondContact O-CA 3.49Å; Y242-I250 HydrophobicContact CD1-CD1 4.43Å; Y242-I250 HydrophobicContact CD1-CG1 4.39Å; Y242-I250 PolarHBondContact N-O 3.41Å; Y242-I250 PolarHBondContact O-N 3.3Å
243K92.1Very high88.2Confident146 Ų14680.7 Ų80.764%0.63541%0.408SS*.EExtended strand (participates in β ladder)trans-92.8115176.3-174178.71791800110.3N248K243-N248 WeakPolarHBondContact CA-O 3.41Å
244L89.3Confident88.4Confident27 Ų2779.7 Ų79.714%0.14141%0.41CS..  trans-67.7159.8175.6-66.9178.3000112F204 L212 Y242 D246 G247 N248 I250F204-L244 HydrophobicContact CE1-CD2 4.18Å; L212-L244 HydrophobicContact CD1-CD2 4.15Å; L212-L244 HydrophobicContact CD2-CD2 3.82Å; L212-L244 HydrophobicContact CG-CD2 4.48Å; Y242-L244 HydrophobicContact CD1-CD2 4.06Å; Y242-L244 HydrophobicContact CE1-CD2 4.07Å; L244-D246 WeakPolarHBondContact CB-OD1 3.3Å; L244-D246 PolarHBondContact O-N 2.79Å; L244-G247 WeakPolarHBondContact O-CA 3.13Å; L244-G247 PolarHBondContact O-N 2.9Å; L244-N248 WeakPolarHBondContact CB-O 3.37Å; L244-N248 HydrophobicContact CD1-CB 4.22Å; L244-N248 PolarHBondContact N-O 3.43Å; L244-I250 HydrophobicContact CD1-CG2 3.75Å; L244-I250 HydrophobicContact CD2-CD1 4.04Å; L244-I250 HydrophobicContact CG-CD1 4.46Å; L244-I250 HydrophobicContact CG-CG2 4.19Å
245P87.1Confident88.8Confident120 Ų12071.9 Ų71.978%0.77938%0.381SS*.THydrogen-bonded Turntrans-58.8-28.1178.6-26.135.4000114.5L212 G247L212-P245 HydrophobicContact CD1-CG 4.2Å; P245-G247 PolarHBondContact O-N 2.84Å
246D84.8Confident89.6Confident108 Ų10867.6 Ų67.658%0.57835%0.353SS*.THydrogen-bonded Turntrans-76.7-6.8175.365.9-1.4000113.4L244 N248L244-D246 WeakPolarHBondContact CB-OD1 3.3Å; L244-D246 PolarHBondContact O-N 2.79Å; D246-N248 VanDerWaalsContact CG-ND2 3.31Å; D246-N248 VanDerWaalsContact OD1-CB 3.3Å; D246-N248 WeakPolarHBondContact OD1-CB 3.44Å; D246-N248 PolarHBondContact OD1-N 3.21Å; D246-N248 PolarHBondContact OD2-ND2 3.13Å
247G86.8Confident90.4Very high34 Ų3459.6 Ų59.635%0.35132%0.315SS..SBendtrans94.9-8-17900000115L244 P245L244-G247 WeakPolarHBondContact O-CA 3.13Å; L244-G247 PolarHBondContact O-N 2.9Å; P245-G247 PolarHBondContact O-N 2.84Å
248N88Confident91.1Very high98 Ų9858.5 Ų58.552%0.52431%0.31SS..  trans-69.2147.1177.5-70.8-38.8000111.1K243 L244 D246K243-N248 WeakPolarHBondContact CA-O 3.41Å; L244-N248 WeakPolarHBondContact CB-O 3.37Å; L244-N248 HydrophobicContact CD1-CB 4.22Å; L244-N248 PolarHBondContact N-O 3.43Å; D246-N248 VanDerWaalsContact CG-ND2 3.31Å; D246-N248 VanDerWaalsContact OD1-CB 3.3Å; D246-N248 WeakPolarHBondContact OD1-CB 3.44Å; D246-N248 PolarHBondContact OD1-N 3.21Å; D246-N248 PolarHBondContact OD2-ND2 3.13Å
249I91.4Very high91.7Very high104 Ų10458.2 Ų58.253%0.53331%0.308SS..EExtended strand (participates in β ladder)trans-106.3129.1178.1-59.8175.1000108.8E241 Y242E241-I249 HydrophobicContact CB-CG2 3.87Å; E241-I249 HydrophobicContact CG-CG2 4.14Å; Y242-I249 WeakPolarHBondContact O-CA 3.49Å
250I90.7Very high92Very high22 Ų2254.4 Ų54.411%0.11329%0.288CS..EExtended strand (participates in β ladder)trans-112.2147172.563.9174.7000109.7F204 I216 E241 Y242 L244 L252F204-I250 HydrophobicContact CE1-CD1 4.18Å; F204-I250 HydrophobicContact CZ-CD1 4.18Å; I216-I250 HydrophobicContact CD1-CD1 4.41Å; E241-I250 CarbonylContact C-O 3.6Å; E241-I250 WeakPolarHBondContact CA-O 3.42Å; Y242-I250 HydrophobicContact CD1-CD1 4.43Å; Y242-I250 HydrophobicContact CD1-CG1 4.39Å; Y242-I250 PolarHBondContact N-O 3.41Å; Y242-I250 PolarHBondContact O-N 3.3Å; L244-I250 HydrophobicContact CD1-CG2 3.75Å; L244-I250 HydrophobicContact CD2-CD1 4.04Å; L244-I250 HydrophobicContact CG-CD1 4.46Å; L244-I250 HydrophobicContact CG-CG2 4.19Å; I250-L252 HydrophobicContact CD1-CD1 4.19Å; I250-L252 HydrophobicContact CD1-CD2 3.93Å; I250-L252 HydrophobicContact CD1-CG 4.19Å; I250-L252 HydrophobicContact CG1-CD2 4.32Å; I250-L252 HydrophobicContact CG1-CG 4.27Å
251S91.6Very high92.2Very high59 Ų5950.4 Ų50.441%0.41327%0.274SS..EExtended strand (participates in β ladder)trans-107.3123.5175.1-55.40000109.2R240R240-S251 CarbonylContact O-C 3.56Å; R240-S251 WeakPolarHBondContact O-CA 3.48Å
252L92.8Very high92.4Very high3 Ų343.7 Ų43.72%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-116135.5-175.7-59.2180000109.9L197 I216 L220 L239 R240 I250 L256L197-L252 HydrophobicContact CD2-CD1 4.37Å; L197-L252 HydrophobicContact CD2-CD2 3.47Å; L197-L252 VanDerWaalsContact CD2-CD2 3.47Å; L197-L252 HydrophobicContact CD2-CG 4.46Å; I216-L252 HydrophobicContact CD1-CD1 4.25Å; I216-L252 HydrophobicContact CG1-CD1 4.45Å; I216-L252 HydrophobicContact CG2-CD1 3.48Å; I216-L252 VanDerWaalsContact CG2-CD1 3.48Å; L220-L252 HydrophobicContact CD1-CD1 4.12Å; L239-L252 CarbonylContact C-O 3.59Å; L239-L252 VanDerWaalsContact CA-O 3.32Å; L239-L252 WeakPolarHBondContact CA-O 3.1Å; R240-L252 PolarHBondContact N-O 3.19Å; R240-L252 PolarHBondContact O-N 3.23Å; I250-L252 HydrophobicContact CD1-CD1 4.19Å; I250-L252 HydrophobicContact CD1-CD2 3.93Å; I250-L252 HydrophobicContact CD1-CG 4.19Å; I250-L252 HydrophobicContact CG1-CD2 4.32Å; I250-L252 HydrophobicContact CG1-CG 4.27Å; L252-L256 HydrophobicContact CB-CD1 3.91Å; L252-L256 HydrophobicContact CB-CD2 4.07Å; L252-L256 HydrophobicContact CB-CG 4.01Å; L252-L256 HydrophobicContact CD1-CD2 4.15Å
253G92.1Very high92.6Very high10 Ų1042.7 Ų42.710%0.10324%0.239CC..  trans-122.4-115.2-178.800000112P255 L256G253-P255 VanDerWaalsContact C-N 3.34Å; G253-P255 WeakPolarHBondContact O-CD 3.32Å; G253-P255 VanDerWaalsContact O-N 3.11Å; G253-L256 VanDerWaalsContact O-CB 3.29Å; G253-L256 WeakPolarHBondContact O-CB 3.12Å; G253-L256 VanDerWaalsContact O-CG 3.31Å; G253-L256 WeakPolarHBondContact O-CG 3.5Å; G253-L256 PolarHBondContact O-N 3.29Å
254D92.7Very high92.9Very high71 Ų7136.4 Ų36.438%0.3821%0.211SC..THydrogen-bonded Turntrans-48.4-39.1-171.5-51.7-10.3000116.4L256 Y257 Q258D254-L256 PolarHBondContact O-N 2.84Å; D254-Y257 HydrophobicContact CB-CE1 3.91Å; D254-Y257 VanDerWaalsContact O-CD1 3.3Å; D254-Y257 WeakPolarHBondContact O-CD1 3.36Å; D254-Y257 PolarHBondContact O-N 3.26Å; D254-Q258 WeakPolarHBondContact O-CB 3.42Å; D254-Q258 VanDerWaalsContact O-CG 3.24Å; D254-Q258 WeakPolarHBondContact O-CG 3.3Å; D254-Q258 PolarHBondContact O-N 3.2Å; D254-Q258 VanDerWaalsContact O-N 3.1Å
255P93.5Very high93.2Very high8 Ų837.3 Ų37.35%0.05222%0.218CC..Hα-helixtrans-53.2-27177.2-30.538.2000114.4L193 L196 L197 G253 Y257 A259L193-P255 HydrophobicContact CD1-CB 3.92Å; L196-P255 HydrophobicContact CB-CB 3.83Å; L196-P255 HydrophobicContact CB-CG 4.13Å; L197-P255 HydrophobicContact CD2-CB 4.12Å; L197-P255 HydrophobicContact CD2-CG 4.37Å; G253-P255 VanDerWaalsContact C-N 3.34Å; G253-P255 WeakPolarHBondContact O-CD 3.32Å; G253-P255 VanDerWaalsContact O-N 3.11Å; P255-Y257 PolarHBondContact O-N 3.46Å; P255-A259 WeakPolarHBondContact O-CB 3.32Å; P255-A259 PolarHBondContact O-N 2.87Å; P255-A259 VanDerWaalsContact O-N 3.12Å
256L95.1Very high93.6Very high0 Ų031.6 Ų31.60%018%0.181CC..Hα-helixtrans-66.8-34.4-176.1-62.9-179.3000113.6I216 L220 C221 Y222 R240 L252 G253 D254 P260I216-L256 HydrophobicContact CG2-CD2 4.14Å; L220-L256 HydrophobicContact CB-CD1 4.01Å; L220-L256 HydrophobicContact CB-CD2 3.72Å; L220-L256 HydrophobicContact CB-CG 4.48Å; C221-L256 WeakPolarHBondContact CA-O 3.5Å; C221-L256 WeakPolarHBondContact CB-O 3.49Å; C221-L256 PolarHBondContact SG-O 3.3Å; Y222-L256 HydrophobicContact CE1-CB 4.29Å; Y222-L256 PolarHBondContact N-O 2.99Å; R240-L256 HydrophobicContact CB-CD1 3.87Å; R240-L256 HydrophobicContact CG-CD1 3.86Å; L252-L256 HydrophobicContact CB-CD1 3.91Å; L252-L256 HydrophobicContact CB-CD2 4.07Å; L252-L256 HydrophobicContact CB-CG 4.01Å; L252-L256 HydrophobicContact CD1-CD2 4.15Å; G253-L256 VanDerWaalsContact O-CB 3.29Å; G253-L256 WeakPolarHBondContact O-CB 3.12Å; G253-L256 VanDerWaalsContact O-CG 3.31Å; G253-L256 WeakPolarHBondContact O-CG 3.5Å; G253-L256 PolarHBondContact O-N 3.29Å; D254-L256 PolarHBondContact O-N 2.84Å; L256-P260 VanDerWaalsContact O-CD 3.27Å; L256-P260 WeakPolarHBondContact O-CD 3.36Å
257Y95.5Very high93.9Very high8 Ų831 Ų313%0.03118%0.175CC..Hα-helixtrans-100.6-24.2175.676.8-95.8000112.6Y222 A224 E230 L231 D254 P255 P260 E261Y222-Y257 WeakPolarHBondContact O-CA 3.41Å; A224-Y257 HydrophobicContact CB-CD2 4.29Å; E230-Y257 HydrophobicContact CB-CD1 4.19Å; E230-Y257 HydrophobicContact CB-CD2 4.22Å; E230-Y257 HydrophobicContact CB-CE1 3.7Å; E230-Y257 HydrophobicContact CB-CE2 3.75Å; E230-Y257 HydrophobicContact CB-CG 4.43Å; E230-Y257 VanDerWaalsContact CB-CZ 3.47Å; E230-Y257 HydrophobicContact CG-CD1 4.33Å; E230-Y257 HydrophobicContact CG-CD2 4.13Å; E230-Y257 HydrophobicContact CG-CE1 4.33Å; E230-Y257 HydrophobicContact CG-CE2 4.15Å; E230-Y257 HydrophobicContact CG-CG 4.24Å; L231-Y257 WeakPolarHBondContact CD2-OH 3.45Å; D254-Y257 HydrophobicContact CB-CE1 3.91Å; D254-Y257 VanDerWaalsContact O-CD1 3.3Å; D254-Y257 WeakPolarHBondContact O-CD1 3.36Å; D254-Y257 PolarHBondContact O-N 3.26Å; P255-Y257 PolarHBondContact O-N 3.46Å; Y257-P260 WeakPolarHBondContact O-CD 3.3Å; Y257-E261 PolarHBondContact O-N 2.83Å
258Q95.4Very high93.8Very high63 Ų6334.9 Ų34.929%0.29418%0.184SC..Hα-helixtrans-67.4-38.5177.3-72.9174.6-18.600112.2L196 D254 E261L196-Q258 HydrophobicContact CD1-CB 3.86Å; D254-Q258 WeakPolarHBondContact O-CB 3.42Å; D254-Q258 VanDerWaalsContact O-CG 3.24Å; D254-Q258 WeakPolarHBondContact O-CG 3.3Å; D254-Q258 PolarHBondContact O-N 3.2Å; D254-Q258 VanDerWaalsContact O-N 3.1Å; Q258-E261 WeakPolarHBondContact O-CB 3.45Å; Q258-E261 PolarHBondContact O-N 3.36Å
259A96.4Very high93.9Very high0 Ų033.1 Ų33.10%017%0.174CC..THydrogen-bonded Turntrans-66-47.3-178.700000113.1I189 L192 L193 L196 P255 E261 A262I189-A259 HydrophobicContact CG2-CB 4.05Å; L192-A259 HydrophobicContact CG-CB 4.5Å; L193-A259 HydrophobicContact CB-CB 3.8Å; L193-A259 HydrophobicContact CD1-CB 4.06Å; L193-A259 HydrophobicContact CG-CB 4.46Å; L196-A259 HydrophobicContact CD1-CB 4.14Å; P255-A259 WeakPolarHBondContact O-CB 3.32Å; P255-A259 PolarHBondContact O-N 2.87Å; P255-A259 VanDerWaalsContact O-N 3.12Å; A259-E261 PolarHBondContact O-N 2.87Å; A259-A262 WeakPolarHBondContact O-CB 3.24Å; A259-A262 PolarHBondContact O-N 2.76Å
260P97.3Very high93.8Very high0 Ų030.7 Ų30.70%018%0.175CC..G310 helixtrans-65.7-20.5175.1-24.236.1000115C221 V223 L256 Y257 A262 L263 F308C221-P260 HydrophobicContact CB-CG 3.74Å; V223-P260 HydrophobicContact CG2-CB 3.88Å; L256-P260 VanDerWaalsContact O-CD 3.27Å; L256-P260 WeakPolarHBondContact O-CD 3.36Å; Y257-P260 WeakPolarHBondContact O-CD 3.3Å; P260-A262 PolarHBondContact O-N 3.19Å; P260-A262 VanDerWaalsContact O-N 3.1Å; P260-L263 PolarHBondContact O-N 3.32Å; P260-F308 HydrophobicContact CB-CD2 4.05Å; P260-F308 HydrophobicContact CB-CE2 4.04Å; P260-F308 HydrophobicContact CB-CG 4.33Å; P260-F308 HydrophobicContact CB-CZ 4.34Å; P260-F308 HydrophobicContact CG-CD1 4.14Å; P260-F308 HydrophobicContact CG-CD2 4.37Å; P260-F308 HydrophobicContact CG-CE1 3.96Å; P260-F308 HydrophobicContact CG-CE2 4.17Å; P260-F308 HydrophobicContact CG-CG 4.36Å; P260-F308 HydrophobicContact CG-CZ 3.96Å
261E96.9Very high93.7Very high14 Ų1430.9 Ų30.97%0.06518%0.178CC..G310 helixtrans-60.1-21.3176.8-170.758.8-15400112.1P227 Y257 Q258 A259 L263 F264 T265 R314P227-E261 HydrophobicContact CG-CG 4.46Å; P227-E261 WeakPolarHBondContact CG-OE2 3.38Å; Y257-E261 PolarHBondContact O-N 2.83Å; Q258-E261 WeakPolarHBondContact O-CB 3.45Å; Q258-E261 PolarHBondContact O-N 3.36Å; A259-E261 PolarHBondContact O-N 2.87Å; E261-L263 PolarHBondContact O-N 3.41Å; E261-L263 VanDerWaalsContact O-N 3.08Å; E261-F264 PolarHBondContact O-N 3.38Å; E261-T265 PolarHBondContact O-N 3.48Å; E261-T265 PolarHBondContact OE1-OG1 2.96Å; E261-R314 IonicContact OE1-CZ 2.77Å; E261-R314 IonicContact OE1-NH1 2.69Å; E261-R314 IonicContact OE1-NH2 3.1Å; E261-R314 PolarHBondContact OE1-NH2 3.47Å; E261-R314 IonicContact OE2-CZ 3.28Å; E261-R314 IonicContact OE2-NH1 3.76Å; E261-R314 PolarHBondContact OE2-NH1 3.25Å; E261-R314 IonicContact OE2-NH2 3.61Å
262A96.9Very high93.6Very high0 Ų035.9 Ų35.90%020%0.195CC..G310 helixtrans-56.4-22.9172.900000114.2V184 L192 A259 P260 P266 L269V184-A262 HydrophobicContact CG1-CB 4.12Å; L192-A262 HydrophobicContact CD2-CB 3.83Å; A259-A262 WeakPolarHBondContact O-CB 3.24Å; A259-A262 PolarHBondContact O-N 2.76Å; P260-A262 PolarHBondContact O-N 3.19Å; P260-A262 VanDerWaalsContact O-N 3.1Å; A262-P266 VanDerWaalsContact O-CA 3.22Å; A262-P266 WeakPolarHBondContact O-CA 3.23Å; A262-P266 WeakPolarHBondContact O-CB 3.36Å; A262-L269 HydrophobicContact CB-CD1 3.7Å; A262-L269 HydrophobicContact CB-CG 4.23Å
263L97.9Very high93.6Very high1 Ų137.7 Ų37.71%0.00521%0.208CC..G310 helixtrans-71.2-32.4173.4-68170.8000112.5I189 P260 E261 G275 L276 T305 F308 L311I189-L263 HydrophobicContact CD1-CD1 3.97Å; I189-L263 HydrophobicContact CD1-CD2 4.04Å; I189-L263 HydrophobicContact CD1-CG 3.79Å; P260-L263 PolarHBondContact O-N 3.32Å; E261-L263 PolarHBondContact O-N 3.41Å; E261-L263 VanDerWaalsContact O-N 3.08Å; L263-G275 CarbonylContact O-C 3.54Å; L263-G275 VanDerWaalsContact O-CA 3.31Å; L263-G275 WeakPolarHBondContact O-CA 3.29Å; L263-L276 PolarHBondContact O-N 2.84Å; L263-T305 HydrophobicContact CD1-CG2 3.86Å; L263-T305 HydrophobicContact CD2-CG2 4.27Å; L263-F308 HydrophobicContact CD1-CD2 4.31Å; L263-F308 HydrophobicContact CD1-CE2 4.42Å; L263-L311 HydrophobicContact CD1-CD1 4.02Å
264F97.7Very high93.7Very high14 Ų1440.1 Ų40.16%0.06122%0.222CC..THydrogen-bonded Turntrans-96.4-31.1-177.7-66.1-90.1000111.7V223 E261 P266 G275 L276 S277 R314 E318V223-F264 HydrophobicContact CG1-CD2 4.29Å; V223-F264 HydrophobicContact CG1-CE2 3.6Å; V223-F264 HydrophobicContact CG1-CZ 4.13Å; V223-F264 HydrophobicContact CG2-CE2 4.17Å; E261-F264 PolarHBondContact O-N 3.38Å; F264-P266 VanDerWaalsContact C-CD 3.45Å; F264-P266 WeakPolarHBondContact O-CD 3.31Å; F264-G275 WeakPolarHBondContact O-CA 3.49Å; F264-L276 HydrophobicContact CD1-CB 4.46Å; F264-L276 HydrophobicContact CE1-CB 4.35Å; F264-L276 HydrophobicContact CZ-CD2 4.23Å; F264-S277 WeakPolarHBondContact CE1-OG 3.31Å; F264-R314 HydrophobicContact CD1-CG 4.11Å; F264-R314 HydrophobicContact CE1-CB 4.44Å; F264-R314 HydrophobicContact CE1-CG 3.61Å; F264-R314 HydrophobicContact CE2-CG 4.07Å; F264-R314 HydrophobicContact CZ-CB 4.09Å; F264-R314 HydrophobicContact CZ-CG 3.59Å; F264-E318 WeakPolarHBondContact CD1-OE2 3.5Å
265T95.9Very high94Very high46 Ų4636.9 Ų36.928%0.28221%0.205SC..  trans-127.265.4179.5-47.70000111.1E261 Q267 Q268E261-T265 PolarHBondContact O-N 3.48Å; E261-T265 PolarHBondContact OE1-OG1 2.96Å; T265-Q267 PolarHBondContact O-N 3.4Å; T265-Q268 HydrophobicContact CG2-CG 4.03Å; T265-Q268 WeakPolarHBondContact O-CG 3.4Å; T265-Q268 PolarHBondContact O-N 3.01Å; T265-Q268 VanDerWaalsContact O-N 3.17Å
266P95.3Very high94.2Very high0 Ų036.6 Ų36.60%020%0.203CC..G310 helixtrans-64.5-13.7-175.729.5-39.2000114L182 V184 A262 F264 Q268 L269 C271 S273L182-P266 HydrophobicContact CD1-CB 3.92Å; L182-P266 HydrophobicContact CD1-CG 4.22Å; V184-P266 HydrophobicContact CG2-CB 4.08Å; A262-P266 VanDerWaalsContact O-CA 3.22Å; A262-P266 WeakPolarHBondContact O-CA 3.23Å; A262-P266 WeakPolarHBondContact O-CB 3.36Å; F264-P266 VanDerWaalsContact C-CD 3.45Å; F264-P266 WeakPolarHBondContact O-CD 3.31Å; P266-Q268 PolarHBondContact O-N 3.07Å; P266-L269 PolarHBondContact O-N 3.25Å; P266-C271 CarbonylContact C-O 3.53Å; P266-C271 HydrophobicContact CB-CB 4.06Å; P266-C271 WeakPolarHBondContact O-CB 3.27Å; P266-C271 PolarHBondContact O-N 3.4Å; P266-S273 WeakPolarHBondContact CG-O 3.12Å
267Q91.8Very high94.3Very high95 Ų9536.6 Ų36.644%0.44420%0.203SC..G310 helixtrans-60.3-25.3174.3-62.879.46.200112.4T265 L269 G270 C271T265-Q267 PolarHBondContact O-N 3.4Å; Q267-L269 PolarHBondContact O-N 3.05Å; Q267-G270 PolarHBondContact O-N 2.99Å; Q267-C271 WeakPolarHBondContact CA-O 3.21Å; Q267-C271 PolarHBondContact N-O 2.97Å
268Q85.8Confident94.4Very high116 Ų11641.4 Ų41.454%0.54223%0.225SC..G310 helixtrans-61.7-26.9173.7-65.7177-1.200112.3T265 P266T265-Q268 HydrophobicContact CG2-CG 4.03Å; T265-Q268 WeakPolarHBondContact O-CG 3.4Å; T265-Q268 PolarHBondContact O-N 3.01Å; T265-Q268 VanDerWaalsContact O-N 3.17Å; P266-Q268 PolarHBondContact O-N 3.07Å
269L89.4Confident94.5Very high61 Ų6138.5 Ų38.532%0.31921%0.212SC..G310 helixtrans-95.211.1174.3-66.7177000112.9V184 D188 L192 A262 P266 Q267 C271V184-L269 HydrophobicContact CG1-CD1 3.73Å; V184-L269 HydrophobicContact CG2-CD1 4.06Å; D188-L269 HydrophobicContact CB-CD1 4.26Å; L192-L269 HydrophobicContact CB-CD2 4.12Å; L192-L269 HydrophobicContact CD1-CD2 4.02Å; L192-L269 HydrophobicContact CD2-CD2 4.06Å; L192-L269 HydrophobicContact CD2-CG 4.44Å; L192-L269 HydrophobicContact CG-CD2 4.28Å; A262-L269 HydrophobicContact CB-CD1 3.7Å; A262-L269 HydrophobicContact CB-CG 4.23Å; P266-L269 PolarHBondContact O-N 3.25Å; Q267-L269 PolarHBondContact O-N 3.05Å; L269-C271 PolarHBondContact O-N 3.14Å
270G88.6Confident94.6Very high53 Ų5338.5 Ų38.555%0.54621%0.212SC..THydrogen-bonded Turntrans74.26-175.500000114.4Q267 Q272Q267-G270 PolarHBondContact O-N 2.99Å; G270-Q272 PolarHBondContact O-NE2 3.24Å
271C89.4Confident94.7Very high27 Ų2739.2 Ų39.218%0.18222%0.217CC..  trans-81.8127178.4-173.70000110.7V184 P266 Q267 L269 S273V184-C271 HydrophobicContact CG2-CB 4.17Å; P266-C271 CarbonylContact C-O 3.53Å; P266-C271 HydrophobicContact CB-CB 4.06Å; P266-C271 WeakPolarHBondContact O-CB 3.27Å; P266-C271 PolarHBondContact O-N 3.4Å; Q267-C271 WeakPolarHBondContact CA-O 3.21Å; Q267-C271 PolarHBondContact N-O 2.97Å; L269-C271 PolarHBondContact O-N 3.14Å; C271-S273 VanDerWaalsContact C-N 3.34Å
272Q90.1Very high94.7Very high164 Ų16440.6 Ų40.677%0.76623%0.228SC*.  trans-86.2-4.8-178.3-57.9-56.6-48.900113.5G270G270-Q272 PolarHBondContact O-NE2 3.24Å
273S91.5Very high94.8Very high41 Ų4140.6 Ų40.629%0.28723%0.228SC..SBendtrans-67.3153176.5-69.90000111.2P266 C271P266-S273 WeakPolarHBondContact CG-O 3.12Å; C271-S273 VanDerWaalsContact C-N 3.34Å
274P95.5Very high94.8Very high61 Ų6140.6 Ų40.640%0.39623%0.228SC..PPolyproline II helixtrans-64.5153.5172.427.1-33.4000111.2H278 M279P274-H278 HydrophobicContact CB-CB 3.71Å; P274-M279 HydrophobicContact CB-CG 4.43Å; P274-M279 HydrophobicContact CG-CG 3.92Å; P274-M279 WeakPolarHBondContact O-CG 3.21Å
275G97.1Very high94.7Very high3 Ų343.6 Ų43.63%0.03125%0.248CC..PPolyproline II helixtrans-72.2173.4170.200000113.3L263 F264 S277 H278 M279L263-G275 CarbonylContact O-C 3.54Å; L263-G275 VanDerWaalsContact O-CA 3.31Å; L263-G275 WeakPolarHBondContact O-CA 3.29Å; F264-G275 WeakPolarHBondContact O-CA 3.49Å; G275-S277 PolarHBondContact O-N 3.44Å; G275-H278 PolarHBondContact O-N 3.06Å; G275-H278 VanDerWaalsContact O-N 3.14Å; G275-M279 WeakPolarHBondContact O-CG 3.21Å; G275-M279 PolarHBondContact O-N 2.97Å
276L97.9Very high94.8Very high2 Ų246.1 Ų46.11%0.0126%0.255CS..Hα-helixtrans-52-48.3-168-168.361000114.3V157 T164 L263 F264 H278 M279 V280 L311 L315V157-L276 HydrophobicContact CG1-CD1 3.6Å; V157-L276 HydrophobicContact CG1-CD2 4.42Å; V157-L276 HydrophobicContact CG1-CG 4.33Å; T164-L276 HydrophobicContact CG2-CD1 3.71Å; L263-L276 PolarHBondContact O-N 2.84Å; F264-L276 HydrophobicContact CD1-CB 4.46Å; F264-L276 HydrophobicContact CE1-CB 4.35Å; F264-L276 HydrophobicContact CZ-CD2 4.23Å; L276-H278 PolarHBondContact O-N 3.39Å; L276-M279 WeakPolarHBondContact O-CB 3.48Å; L276-M279 PolarHBondContact O-N 2.86Å; L276-V280 WeakPolarHBondContact O-CG2 3.29Å; L276-V280 PolarHBondContact O-N 3.27Å; L276-L311 HydrophobicContact CD2-CD2 4.44Å; L276-L315 HydrophobicContact CD2-CD2 4.46Å; L276-L315 HydrophobicContact CG-CD1 4.33Å
277S98Very high95Very high0 Ų046.4 Ų46.40%026%0.257CS..Hα-helixtrans-66.3-40.4-177.7-45.50000112.4F264 G275 V280 S281 L315 E318 L319F264-S277 WeakPolarHBondContact CE1-OG 3.31Å; G275-S277 PolarHBondContact O-N 3.44Å; S277-V280 PolarHBondContact O-N 2.84Å; S277-S281 PolarHBondContact O-N 3.18Å; S277-L315 WeakPolarHBondContact OG-CD1 3.47Å; S277-E318 WeakPolarHBondContact CB-OE2 3.39Å; S277-E318 WeakPolarHBondContact OG-CB 3.43Å; S277-E318 PolarHBondContact OG-OE2 2.85Å; S277-L319 WeakPolarHBondContact O-CD2 3.39Å
278H97.9Very high95.2Very high108 Ų10847.8 Ų47.850%0.527%0.267SS..Hα-helixtrans-69.6-34.6174.5-80.9-67.5000112.2P274 G275 L276 S282 L322P274-H278 HydrophobicContact CB-CB 3.71Å; G275-H278 PolarHBondContact O-N 3.06Å; G275-H278 VanDerWaalsContact O-N 3.14Å; L276-H278 PolarHBondContact O-N 3.39Å; H278-S282 WeakPolarHBondContact O-CB 3.37Å; H278-S282 PolarHBondContact O-N 3.48Å; H278-L322 VanDerWaalsContact CE1-CD2 3.5Å; H278-L322 WeakPolarHBondContact CE1-CD2 3.3Å
279M98.1Very high95.6Very high2 Ų245.7 Ų45.71%0.0127%0.27CS..Hα-helixtrans-60.7-48.7171.9-72.4174.871.400111.3T166 T180 L182 P274 G275 L276 S282 S283T166-M279 HydrophobicContact CG2-CB 3.93Å; T166-M279 HydrophobicContact CG2-CE 4.36Å; T180-M279 WeakPolarHBondContact OG1-CB 3.39Å; T180-M279 VanDerWaalsContact OG1-CE 3.27Å; T180-M279 WeakPolarHBondContact OG1-CE 3.38Å; L182-M279 HydrophobicContact CB-CE 3.52Å; L182-M279 HydrophobicContact CB-SD 3.38Å; L182-M279 WeakPolarHBondContact CB-SD 3.47Å; L182-M279 HydrophobicContact CD2-SD 3.79Å; L182-M279 HydrophobicContact CG-SD 4.15Å; P274-M279 HydrophobicContact CB-CG 4.43Å; P274-M279 HydrophobicContact CG-CG 3.92Å; P274-M279 WeakPolarHBondContact O-CG 3.21Å; G275-M279 WeakPolarHBondContact O-CG 3.21Å; G275-M279 PolarHBondContact O-N 2.97Å; L276-M279 WeakPolarHBondContact O-CB 3.48Å; L276-M279 PolarHBondContact O-N 2.86Å; M279-S282 PolarHBondContact O-N 3.3Å; M279-S283 VanDerWaalsContact O-CB 3.25Å; M279-S283 WeakPolarHBondContact O-CB 3.31Å; M279-S283 PolarHBondContact O-N 2.75Å
280V98.6Very high95.8Very high0 Ų049.9 Ų49.90%029%0.292CS..Hα-helixtrans-58.3-53.3177.5165.50000110.8L155 V157 T166 L276 S277 S282 S283 I284 I299 L315 L319L155-V280 HydrophobicContact CD2-CB 4.1Å; L155-V280 HydrophobicContact CD2-CG1 3.53Å; L155-V280 HydrophobicContact CD2-CG2 4.01Å; V157-V280 HydrophobicContact CG2-CG2 3.52Å; T166-V280 HydrophobicContact CG2-CG2 3.79Å; L276-V280 WeakPolarHBondContact O-CG2 3.29Å; L276-V280 PolarHBondContact O-N 3.27Å; S277-V280 PolarHBondContact O-N 2.84Å; V280-S282 PolarHBondContact O-N 2.97Å; V280-S283 WeakPolarHBondContact O-CB 3.23Å; V280-S283 PolarHBondContact O-N 3.41Å; V280-I284 HydrophobicContact CG1-CD1 4.1Å; V280-I284 WeakPolarHBondContact O-CG1 3.29Å; V280-I284 PolarHBondContact O-N 3.04Å; V280-I299 HydrophobicContact CG1-CD1 4.01Å; V280-L315 HydrophobicContact CG2-CD1 4.36Å; V280-L319 HydrophobicContact CB-CD2 3.98Å; V280-L319 HydrophobicContact CG1-CD1 3.74Å; V280-L319 HydrophobicContact CG1-CD2 3.56Å; V280-L319 HydrophobicContact CG1-CG 4.29Å
281S97.9Very high96.2Very high16 Ų1648.3 Ų48.311%0.11227%0.271CS..Hα-helixtrans-60.4-43.8178.2-179.80000111.9S277 S283 I284 T285S277-S281 PolarHBondContact O-N 3.18Å; S281-S283 PolarHBondContact O-N 2.79Å; S281-I284 PolarHBondContact O-N 3.18Å; S281-T285 WeakPolarHBondContact O-CB 3.48Å; S281-T285 VanDerWaalsContact O-CG2 3.23Å; S281-T285 WeakPolarHBondContact O-CG2 3.48Å; S281-T285 PolarHBondContact O-N 3.2Å; S281-T285 PolarHBondContact O-OG1 3.18Å
282S97.7Very high96.5Very high43 Ų4349.4 Ų49.430%0.30127%0.274SS..Hα-helixtrans-62.8-40.8177.1-176.20000112.5H278 M279 V280 T285 K286H278-S282 WeakPolarHBondContact O-CB 3.37Å; H278-S282 PolarHBondContact O-N 3.48Å; M279-S282 PolarHBondContact O-N 3.3Å; V280-S282 PolarHBondContact O-N 2.97Å; S282-T285 VanDerWaalsContact CA-OG1 3.29Å; S282-T285 WeakPolarHBondContact CA-OG1 3.23Å; S282-T285 PolarHBondContact O-N 3.2Å; S282-T285 PolarHBondContact O-OG1 3.03Å; S282-K286 VanDerWaalsContact O-CG 3.25Å; S282-K286 WeakPolarHBondContact O-CG 3.47Å; S282-K286 PolarHBondContact O-N 2.7Å; S282-K286 VanDerWaalsContact O-N 3.12Å
283S98.2Very high96.8Very high0 Ų048.6 Ų48.60%027%0.268CS..Hα-helixtrans-62.2-45.4177.5-167.20000111.5L155 T166 P168 A178 M279 V280 S281 K286 C287L155-S283 WeakPolarHBondContact CD1-OG 3.27Å; T166-S283 WeakPolarHBondContact OG1-CB 3.06Å; T166-S283 PolarHBondContact OG1-OG 2.82Å; T166-S283 VanDerWaalsContact OG1-OG 3.13Å; P168-S283 WeakPolarHBondContact CD-OG 3.4Å; A178-S283 WeakPolarHBondContact O-CA 3.36Å; A178-S283 WeakPolarHBondContact O-CB 3.35Å; A178-S283 PolarHBondContact O-OG 3.2Å; M279-S283 VanDerWaalsContact O-CB 3.25Å; M279-S283 WeakPolarHBondContact O-CB 3.31Å; M279-S283 PolarHBondContact O-N 2.75Å; V280-S283 WeakPolarHBondContact O-CB 3.23Å; V280-S283 PolarHBondContact O-N 3.41Å; S281-S283 PolarHBondContact O-N 2.79Å; S283-K286 PolarHBondContact O-N 2.79Å; S283-C287 PolarHBondContact O-SG 2.82Å; S283-C287 VanDerWaalsContact O-SG 3.34Å
284I98.3Very high97Very high0 Ų050.5 Ų50.50%027%0.274CS..Hα-helixtrans-67.3-45.6177.4-62.9171.6000111L155 V280 S281 K286 C287 Q292 L295 F296L155-I284 HydrophobicContact CD1-CG1 4.31Å; L155-I284 HydrophobicContact CD2-CD1 4.11Å; L155-I284 HydrophobicContact CD2-CG1 4.14Å; V280-I284 HydrophobicContact CG1-CD1 4.1Å; V280-I284 WeakPolarHBondContact O-CG1 3.29Å; V280-I284 PolarHBondContact O-N 3.04Å; S281-I284 PolarHBondContact O-N 3.18Å; I284-K286 PolarHBondContact O-N 2.69Å; I284-C287 WeakPolarHBondContact O-CB 3.45Å; I284-C287 PolarHBondContact O-N 3.07Å; I284-Q292 HydrophobicContact CG2-CB 3.8Å; I284-Q292 HydrophobicContact CG2-CG 3.92Å; I284-Q292 WeakPolarHBondContact O-CG 3.35Å; I284-L295 HydrophobicContact CD1-CB 4.23Å; I284-L295 HydrophobicContact CG1-CB 3.95Å; I284-L295 HydrophobicContact CG1-CD1 4.49Å; I284-L295 HydrophobicContact CG2-CB 4.12Å; I284-L295 HydrophobicContact CG2-CD1 4.38Å; I284-F296 HydrophobicContact CB-CE2 4.13Å; I284-F296 HydrophobicContact CB-CZ 4.26Å; I284-F296 HydrophobicContact CD1-CD1 3.6Å; I284-F296 HydrophobicContact CD1-CD2 4.09Å; I284-F296 HydrophobicContact CD1-CE1 3.69Å; I284-F296 HydrophobicContact CD1-CE2 4.16Å; I284-F296 HydrophobicContact CD1-CG 3.81Å; I284-F296 HydrophobicContact CD1-CZ 3.97Å; I284-F296 HydrophobicContact CG2-CD2 3.67Å; I284-F296 HydrophobicContact CG2-CE2 3.45Å; I284-F296 VanDerWaalsContact CG2-CE2 3.45Å; I284-F296 HydrophobicContact CG2-CG 4.44Å; I284-F296 HydrophobicContact CG2-CZ 4.07Å
285T96.8Very high97.1Very high78 Ų7847.6 Ų47.648%0.47926%0.255SS..Hα-helixtrans-65.5-21.3-178.753.40000114.4S281 S282 C287S281-T285 WeakPolarHBondContact O-CB 3.48Å; S281-T285 VanDerWaalsContact O-CG2 3.23Å; S281-T285 WeakPolarHBondContact O-CG2 3.48Å; S281-T285 PolarHBondContact O-N 3.2Å; S281-T285 PolarHBondContact O-OG1 3.18Å; S282-T285 VanDerWaalsContact CA-OG1 3.29Å; S282-T285 WeakPolarHBondContact CA-OG1 3.23Å; S282-T285 PolarHBondContact O-N 3.2Å; S282-T285 PolarHBondContact O-OG1 3.03Å; T285-C287 VanDerWaalsContact C-N 3.27Å
286K97.9Very high97.2Very high99 Ų9948 Ų4843%0.4326%0.256SS..THydrogen-bonded Turntrans-73.9-16.8171.1-74.8171.4-175.4-179.60113.5A178 S282 S283 I284A178-K286 HydrophobicContact CB-CB 3.78Å; S282-K286 VanDerWaalsContact O-CG 3.25Å; S282-K286 WeakPolarHBondContact O-CG 3.47Å; S282-K286 PolarHBondContact O-N 2.7Å; S282-K286 VanDerWaalsContact O-N 3.12Å; S283-K286 PolarHBondContact O-N 2.79Å; I284-K286 PolarHBondContact O-N 2.69Å
287C98Very high97.1Very high5 Ų548.6 Ų48.63%0.03426%0.263CS..SBendtrans-85.1161.4178.4-60.90000111.4A178 S283 I284 T285 I291 Q292 L295A178-C287 WeakPolarHBondContact CB-SG 3.39Å; S283-C287 PolarHBondContact O-SG 2.82Å; S283-C287 VanDerWaalsContact O-SG 3.34Å; I284-C287 WeakPolarHBondContact O-CB 3.45Å; I284-C287 PolarHBondContact O-N 3.07Å; T285-C287 VanDerWaalsContact C-N 3.27Å; C287-I291 HydrophobicContact CB-CD1 3.84Å; C287-I291 HydrophobicContact CB-CG1 3.91Å; C287-Q292 PolarHBondContact O-NE2 2.94Å; C287-L295 HydrophobicContact CB-CD1 3.88Å
288D96.3Very high97.1Very high124 Ų12450.9 Ų50.966%0.66327%0.274SS*.  trans-59.9141177-67.6-30.9000112.2D290 I291 Q292D288-D290 PolarHBondContact O-N 3.45Å; D288-I291 HydrophobicContact CB-CG1 4.47Å; D288-I291 VanDerWaalsContact O-CG1 3.24Å; D288-I291 WeakPolarHBondContact O-CG1 3.32Å; D288-I291 PolarHBondContact O-N 2.84Å; D288-Q292 WeakPolarHBondContact O-CG 3.37Å; D288-Q292 PolarHBondContact O-N 2.92Å
289A94.4Very high97.2Very high73 Ų7345.8 Ų45.860%0.60325%0.25SC*.Hα-helixtrans-53.7-32.9-173.900000113.7I291 Q292A289-I291 VanDerWaalsContact C-N 3.29Å; A289-I291 PolarHBondContact O-N 2.83Å; A289-Q292 PolarHBondContact O-N 2.7Å
290D94.3Very high97.2Very high148 Ų14845.7 Ų45.779%0.79125%0.249SC*.Hα-helixtrans-66.5-29.9-178.7-65.2-21000112.8D288D288-D290 PolarHBondContact O-N 3.45Å
291I96.1Very high97.2Very high20 Ų2045.7 Ų45.710%0.10325%0.249CC..Hα-helixtrans-98.1-16.7-178.468168000112.9F170 L175 C287 D288 A289 K293 I294 L295F170-I291 HydrophobicContact CB-CD1 4.48Å; F170-I291 HydrophobicContact CD2-CB 4.15Å; F170-I291 HydrophobicContact CD2-CD1 4.3Å; F170-I291 HydrophobicContact CD2-CG2 3.66Å; F170-I291 HydrophobicContact CE2-CB 4.24Å; F170-I291 HydrophobicContact CE2-CG2 3.39Å; F170-I291 HydrophobicContact CG-CD1 4.47Å; F170-I291 HydrophobicContact CG-CG2 4.46Å; F170-I291 HydrophobicContact CZ-CG2 3.98Å; L175-I291 HydrophobicContact CD1-CD1 3.59Å; C287-I291 HydrophobicContact CB-CD1 3.84Å; C287-I291 HydrophobicContact CB-CG1 3.91Å; D288-I291 HydrophobicContact CB-CG1 4.47Å; D288-I291 VanDerWaalsContact O-CG1 3.24Å; D288-I291 WeakPolarHBondContact O-CG1 3.32Å; D288-I291 PolarHBondContact O-N 2.84Å; A289-I291 VanDerWaalsContact C-N 3.29Å; A289-I291 PolarHBondContact O-N 2.83Å; I291-K293 VanDerWaalsContact C-N 3.32Å; I291-K293 PolarHBondContact O-N 3.04Å; I291-I294 WeakPolarHBondContact O-CB 3.29Å; I291-I294 PolarHBondContact O-N 3.05Å; I291-L295 HydrophobicContact CD1-CD1 4.24Å; I291-L295 HydrophobicContact CG1-CD1 4.28Å; I291-L295 WeakPolarHBondContact O-CG 3.4Å; I291-L295 PolarHBondContact O-N 3.36Å
292Q96.9Very high97.2Very high51 Ų5145 Ų4524%0.23824%0.244CC..Hα-helixtrans-55.5-43.7-177.7-68.4-176.413.600113.1I284 C287 D288 A289 I294 L295 F296I284-Q292 HydrophobicContact CG2-CB 3.8Å; I284-Q292 HydrophobicContact CG2-CG 3.92Å; I284-Q292 WeakPolarHBondContact O-CG 3.35Å; C287-Q292 PolarHBondContact O-NE2 2.94Å; D288-Q292 WeakPolarHBondContact O-CG 3.37Å; D288-Q292 PolarHBondContact O-N 2.92Å; A289-Q292 PolarHBondContact O-N 2.7Å; Q292-I294 VanDerWaalsContact C-N 3.28Å; Q292-I294 PolarHBondContact O-N 2.99Å; Q292-L295 PolarHBondContact O-N 2.83Å; Q292-F296 VanDerWaalsContact O-CD2 3.3Å; Q292-F296 WeakPolarHBondContact O-CD2 2.99Å; Q292-F296 PolarHBondContact O-N 3.16Å
293K95.2Very high97.2Very high147 Ų14743.2 Ų43.264%0.63923%0.233SC*.Hα-helixtrans-62.8-36.7178.1-70.8-175.8179.2-179.10112.3I291 G297I291-K293 VanDerWaalsContact C-N 3.32Å; I291-K293 PolarHBondContact O-N 3.04Å; K293-G297 PolarHBondContact O-N 3.15Å
294I96.1Very high97.2Very high81 Ų8145.1 Ų45.142%0.41525%0.253SS..Hα-helixtrans-67.8-44177.1-55174.5000109.4T153 I291 Q292 G297 E298T153-I294 HydrophobicContact CG2-CG2 3.65Å; I291-I294 WeakPolarHBondContact O-CB 3.29Å; I291-I294 PolarHBondContact O-N 3.05Å; Q292-I294 VanDerWaalsContact C-N 3.28Å; Q292-I294 PolarHBondContact O-N 2.99Å; I294-G297 CarbonylContact O-C 3.49Å; I294-G297 WeakPolarHBondContact O-CA 3.39Å; I294-G297 PolarHBondContact O-N 3.09Å; I294-G297 VanDerWaalsContact O-N 3.14Å; I294-E298 PolarHBondContact O-N 2.82Å
295L98Very high97.2Very high0 Ų045.5 Ų45.50%026%0.255CS..Hα-helixtrans-65.1-39.9179.9-63176.6000112.8G154 P168 I284 C287 I291 Q292 G297 E298 I299G154-L295 VanDerWaalsContact C-CD2 3.47Å; G154-L295 WeakPolarHBondContact O-CD2 3.45Å; P168-L295 HydrophobicContact CB-CD1 3.99Å; P168-L295 HydrophobicContact CB-CD2 4.37Å; I284-L295 HydrophobicContact CD1-CB 4.23Å; I284-L295 HydrophobicContact CG1-CB 3.95Å; I284-L295 HydrophobicContact CG1-CD1 4.49Å; I284-L295 HydrophobicContact CG2-CB 4.12Å; I284-L295 HydrophobicContact CG2-CD1 4.38Å; C287-L295 HydrophobicContact CB-CD1 3.88Å; I291-L295 HydrophobicContact CD1-CD1 4.24Å; I291-L295 HydrophobicContact CG1-CD1 4.28Å; I291-L295 WeakPolarHBondContact O-CG 3.4Å; I291-L295 PolarHBondContact O-N 3.36Å; Q292-L295 PolarHBondContact O-N 2.83Å; L295-G297 VanDerWaalsContact C-N 3.31Å; L295-E298 CarbonylContact O-C 3.59Å; L295-E298 PolarHBondContact O-N 3.09Å; L295-I299 WeakPolarHBondContact O-CG1 3.24Å
296F97.9Very high97.3Very high11 Ų1141.8 Ų41.85%0.04823%0.232CC..Hα-helixtrans-65-36.6171.6-83.6-68.3000112.2I284 Q292 E298 A323 T327 P328 I329 K330I284-F296 HydrophobicContact CB-CE2 4.13Å; I284-F296 HydrophobicContact CB-CZ 4.26Å; I284-F296 HydrophobicContact CD1-CD1 3.6Å; I284-F296 HydrophobicContact CD1-CD2 4.09Å; I284-F296 HydrophobicContact CD1-CE1 3.69Å; I284-F296 HydrophobicContact CD1-CE2 4.16Å; I284-F296 HydrophobicContact CD1-CG 3.81Å; I284-F296 HydrophobicContact CD1-CZ 3.97Å; I284-F296 HydrophobicContact CG2-CD2 3.67Å; I284-F296 HydrophobicContact CG2-CE2 3.45Å; I284-F296 VanDerWaalsContact CG2-CE2 3.45Å; I284-F296 HydrophobicContact CG2-CG 4.44Å; I284-F296 HydrophobicContact CG2-CZ 4.07Å; Q292-F296 VanDerWaalsContact O-CD2 3.3Å; Q292-F296 WeakPolarHBondContact O-CD2 2.99Å; Q292-F296 PolarHBondContact O-N 3.16Å; F296-E298 VanDerWaalsContact C-N 3.27Å; F296-E298 PolarHBondContact O-N 3.5Å; F296-A323 HydrophobicContact CD1-CB 4.45Å; F296-A323 HydrophobicContact CE1-CB 4Å; F296-A323 HydrophobicContact CZ-CB 4.14Å; F296-T327 HydrophobicContact CB-CG2 3.49Å; F296-T327 VanDerWaalsContact CB-CG2 3.49Å; F296-T327 HydrophobicContact CD1-CG2 4.44Å; F296-T327 HydrophobicContact CD2-CG2 3.62Å; F296-T327 HydrophobicContact CE2-CG2 4.46Å; F296-T327 HydrophobicContact CG-CG2 3.61Å; F296-P328 CarbonylContact C-O 3.58Å; F296-I329 HydrophobicContact CD1-CG1 4.13Å; F296-I329 WeakPolarHBondContact O-CA 3.49Å; F296-K330 PolarHBondContact O-N 3.12Å
297G97Very high97.3Very high15 Ų1540.7 Ų40.716%0.15523%0.231CC..THydrogen-bonded Turntrans-76.4-5.9178.400000114.8K293 I294 L295 P328 K330K293-G297 PolarHBondContact O-N 3.15Å; I294-G297 CarbonylContact O-C 3.49Å; I294-G297 WeakPolarHBondContact O-CA 3.39Å; I294-G297 PolarHBondContact O-N 3.09Å; I294-G297 VanDerWaalsContact O-N 3.14Å; L295-G297 VanDerWaalsContact C-N 3.31Å; G297-P328 PolarHBondContact N-O 3.43Å; G297-K330 WeakPolarHBondContact O-CB 3.43Å; G297-K330 WeakPolarHBondContact O-CD 3.38Å
298E97.9Very high97.3Very high48 Ų4841.1 Ų41.122%0.22423%0.232CC..  trans-146.572.1179.3-68.1-57.5152.200110.9G154 L155 I294 L295 F296 K330G154-E298 CarbonylContact C-O 3.59Å; G154-E298 WeakPolarHBondContact CA-O 3.45Å; L155-E298 PolarHBondContact N-O 2.89Å; I294-E298 PolarHBondContact O-N 2.82Å; L295-E298 CarbonylContact O-C 3.59Å; L295-E298 PolarHBondContact O-N 3.09Å; F296-E298 VanDerWaalsContact C-N 3.27Å; F296-E298 PolarHBondContact O-N 3.5Å; E298-K330 IonicContact OE1-NZ 3.5Å; E298-K330 PolarHBondContact OE1-NZ 2.97Å; E298-K330 IonicContact OE2-NZ 2.86Å; E298-K330 PolarHBondContact OE2-NZ 3.18Å
299I98.7Very high97.3Very high0 Ų042.2 Ų42.20%023%0.233CC..EExtended strand (participates in β ladder)trans-93.6130.3171.2-57.5171.7000108.7L155 V157 V280 L295 L319 I329 K330 I331 T332L155-I299 HydrophobicContact CB-CG1 4.4Å; L155-I299 HydrophobicContact CD2-CG1 4.42Å; L155-I299 HydrophobicContact CD2-CG2 4.47Å; L155-I299 CarbonylContact O-C 3.56Å; L155-I299 VanDerWaalsContact O-CA 3.3Å; L155-I299 WeakPolarHBondContact O-CA 3.22Å; V157-I299 HydrophobicContact CG2-CG2 3.9Å; V280-I299 HydrophobicContact CG1-CD1 4.01Å; L295-I299 WeakPolarHBondContact O-CG1 3.24Å; I299-L319 HydrophobicContact CD1-CD1 3.63Å; I299-I329 HydrophobicContact CD1-CG2 4.23Å; I299-K330 WeakPolarHBondContact CB-O 3.31Å; I299-K330 PolarHBondContact N-O 2.83Å; I299-I331 HydrophobicContact CB-CG1 4.25Å; I299-I331 HydrophobicContact CD1-CG1 4.37Å; I299-I331 HydrophobicContact CG2-CG1 4.44Å; I299-I331 CarbonylContact O-C 3.53Å; I299-I331 WeakPolarHBondContact O-CA 3.32Å; I299-T332 PolarHBondContact O-N 3.2Å
300V98.6Very high97.5Very high0 Ų039.2 Ų39.20%021%0.209CC..EExtended strand (participates in β ladder)trans-120128.2179.9177.20000110.2L146 S149 L155 V156 V157 T332L146-V300 HydrophobicContact CD1-CB 4.34Å; L146-V300 HydrophobicContact CD1-CG2 3.76Å; S149-V300 WeakPolarHBondContact OG-CG1 3.44Å; L155-V300 PolarHBondContact O-N 2.74Å; V156-V300 CarbonylContact C-O 3.55Å; V156-V300 WeakPolarHBondContact CA-O 3.44Å; V156-V300 HydrophobicContact CG2-CB 4.34Å; V157-V300 PolarHBondContact N-O 3.46Å; V300-T332 WeakPolarHBondContact CA-O 3.47Å
301L98.7Very high97.7Very high0 Ų032.2 Ų32.20%017%0.171CC..EExtended strand (participates in β ladder)trans-89.6133.4174.9-55-170.9000111V157 T306 L311 D312 L315 I331 T332 A333 R337V157-L301 HydrophobicContact CB-CD2 3.76Å; V157-L301 HydrophobicContact CG1-CD2 4.24Å; V157-L301 HydrophobicContact CG2-CD2 4.21Å; L301-T306 HydrophobicContact CB-CG2 4.36Å; L301-L311 HydrophobicContact CD1-CD2 3.69Å; L301-D312 HydrophobicContact CD1-CB 4Å; L301-L315 HydrophobicContact CD2-CD2 4.06Å; L301-I331 HydrophobicContact CD1-CG2 3.89Å; L301-I331 HydrophobicContact CD2-CG2 3.96Å; L301-I331 HydrophobicContact CG-CG2 3.7Å; L301-T332 PolarHBondContact N-O 2.92Å; L301-A333 HydrophobicContact CB-CB 4.4Å; L301-A333 HydrophobicContact CD1-CB 3.94Å; L301-A333 HydrophobicContact CG-CB 4.35Å; L301-R337 WeakPolarHBondContact O-CB 3.48Å
302S98.4Very high97.8Very high1 Ų133.7 Ų33.71%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-137.3157.2176.9-172.40000111.2A145 V157 D158 S159 T306A145-S302 WeakPolarHBondContact CB-OG 3.48Å; V157-S302 PolarHBondContact O-N 3.04Å; D158-S302 WeakPolarHBondContact CA-O 3.29Å; S159-S302 PolarHBondContact N-O 3.49Å; S302-T306 WeakPolarHBondContact O-CG2 3.2Å; S302-T306 PolarHBondContact O-OG1 3.22Å
303G97.6Very high97.8Very high7 Ų735.8 Ų35.87%0.07219%0.192CC..SBendtrans89.2150.9174.800000113.6D158 S159 T305 T306 R337D158-G303 WeakPolarHBondContact OD1-CA 3.2Å; S159-G303 CarbonylContact O-C 3.6Å; S159-G303 WeakPolarHBondContact O-CA 3.5Å; G303-T305 VanDerWaalsContact C-N 3.27Å; G303-T305 PolarHBondContact O-N 3.5Å; G303-T306 PolarHBondContact O-N 3.16Å; G303-T306 VanDerWaalsContact O-N 3.12Å; G303-T306 PolarHBondContact O-OG1 2.95Å; G303-R337 PolarHBondContact N-O 3.31Å
304G97.4Very high98Very high39 Ų3929.5 Ų29.540%0.40217%0.165SC..G310 helixtrans-63.4-26.6-169.200000115.1S159 T306 L307S159-G304 PolarHBondContact O-N 3.41Å; G304-T306 VanDerWaalsContact C-N 3.29Å; G304-T306 PolarHBondContact O-N 3.5Å; G304-L307 VanDerWaalsContact O-CB 3.27Å; G304-L307 WeakPolarHBondContact O-CB 3.46Å; G304-L307 WeakPolarHBondContact O-CG 3.47Å; G304-L307 PolarHBondContact O-N 3.3Å
305T98.4Very high98.1Very high8 Ų825.7 Ų25.75%0.04915%0.145CC..G310 helixtrans-77.1-18.8-179.9-60.40000111.8S159 G160 G186 I189 L263 G303 L307 F308S159-T305 VanDerWaalsContact O-CB 3.29Å; S159-T305 WeakPolarHBondContact O-CB 3.4Å; S159-T305 PolarHBondContact O-N 3.04Å; S159-T305 VanDerWaalsContact OG-CB 3.27Å; S159-T305 WeakPolarHBondContact OG-CB 3.25Å; S159-T305 VanDerWaalsContact OG-CG2 3.31Å; S159-T305 WeakPolarHBondContact OG-CG2 3.34Å; G160-T305 PolarHBondContact O-OG1 3.35Å; G186-T305 VanDerWaalsContact CA-OG1 3.23Å; G186-T305 WeakPolarHBondContact CA-OG1 3.38Å; G186-T305 PolarHBondContact N-OG1 2.91Å; I189-T305 HydrophobicContact CD1-CG2 3.72Å; L263-T305 HydrophobicContact CD1-CG2 3.86Å; L263-T305 HydrophobicContact CD2-CG2 4.27Å; G303-T305 VanDerWaalsContact C-N 3.27Å; G303-T305 PolarHBondContact O-N 3.5Å; T305-L307 PolarHBondContact O-N 2.83Å; T305-F308 HydrophobicContact CG2-CD2 4.33Å; T305-F308 HydrophobicContact CG2-CE2 3.83Å; T305-F308 WeakPolarHBondContact O-CD2 3.42Å
306T98.5Very high98.1Very high1 Ų128.2 Ų28.21%0.00616%0.158CC..G310 helixtrans-75.8-0.6171.170.80000113.4L301 S302 G303 G304 F308 R337L301-T306 HydrophobicContact CB-CG2 4.36Å; S302-T306 WeakPolarHBondContact O-CG2 3.2Å; S302-T306 PolarHBondContact O-OG1 3.22Å; G303-T306 PolarHBondContact O-N 3.16Å; G303-T306 VanDerWaalsContact O-N 3.12Å; G303-T306 PolarHBondContact O-OG1 2.95Å; G304-T306 VanDerWaalsContact C-N 3.29Å; G304-T306 PolarHBondContact O-N 3.5Å; T306-F308 VanDerWaalsContact C-N 3.28Å; T306-F308 PolarHBondContact O-N 2.91Å; T306-R337 PolarHBondContact O-NE 3.07Å; T306-R337 PolarHBondContact O-NH2 2.99Å; T306-R337 VanDerWaalsContact OG1-CD 3.28Å; T306-R337 WeakPolarHBondContact OG1-CD 3.39Å; T306-R337 PolarHBondContact OG1-NE 3.08Å
307L98.2Very high98.1Very high75 Ų7530.2 Ų30.239%0.39317%0.167SC..G310 helixtrans-77.3-8.8177.4-69.7175.6000113.9G304 T305 H309 R337 W338G304-L307 VanDerWaalsContact O-CB 3.27Å; G304-L307 WeakPolarHBondContact O-CB 3.46Å; G304-L307 WeakPolarHBondContact O-CG 3.47Å; G304-L307 PolarHBondContact O-N 3.3Å; T305-L307 PolarHBondContact O-N 2.83Å; L307-H309 PolarHBondContact O-N 2.95Å; L307-R337 HydrophobicContact CD2-CG 3.87Å; L307-W338 HydrophobicContact CD1-CB 3.79Å; L307-W338 HydrophobicContact CD1-CG 4.11Å; L307-W338 HydrophobicContact CG-CB 4.37Å
308F98.3Very high98.1Very high14 Ų1431.3 Ų31.36%0.06117%0.168CC..SBendtrans-56.8130.2176.5-70.6-56.2000111.2I189 K217 C221 V223 P260 L263 T305 T306 G310 L311I189-F308 HydrophobicContact CD1-CE2 3.83Å; I189-F308 HydrophobicContact CD1-CZ 4.39Å; I189-F308 HydrophobicContact CG2-CZ 4.09Å; K217-F308 HydrophobicContact CD-CZ 4.01Å; K217-F308 HydrophobicContact CG-CE1 3.79Å; K217-F308 HydrophobicContact CG-CZ 3.72Å; C221-F308 HydrophobicContact CB-CD1 3.94Å; C221-F308 HydrophobicContact CB-CE1 3.52Å; C221-F308 HydrophobicContact CB-CZ 4.45Å; V223-F308 HydrophobicContact CG2-CB 3.84Å; V223-F308 HydrophobicContact CG2-CG 4.42Å; P260-F308 HydrophobicContact CB-CD2 4.05Å; P260-F308 HydrophobicContact CB-CE2 4.04Å; P260-F308 HydrophobicContact CB-CG 4.33Å; P260-F308 HydrophobicContact CB-CZ 4.34Å; P260-F308 HydrophobicContact CG-CD1 4.14Å; P260-F308 HydrophobicContact CG-CD2 4.37Å; P260-F308 HydrophobicContact CG-CE1 3.96Å; P260-F308 HydrophobicContact CG-CE2 4.17Å; P260-F308 HydrophobicContact CG-CG 4.36Å; P260-F308 HydrophobicContact CG-CZ 3.96Å; L263-F308 HydrophobicContact CD1-CD2 4.31Å; L263-F308 HydrophobicContact CD1-CE2 4.42Å; T305-F308 HydrophobicContact CG2-CD2 4.33Å; T305-F308 HydrophobicContact CG2-CE2 3.83Å; T305-F308 WeakPolarHBondContact O-CD2 3.42Å; T306-F308 VanDerWaalsContact C-N 3.28Å; T306-F308 PolarHBondContact O-N 2.91Å; F308-G310 PolarHBondContact O-N 2.92Å; F308-L311 HydrophobicContact CB-CB 4.31Å; F308-L311 HydrophobicContact CB-CD1 4.41Å; F308-L311 HydrophobicContact CD2-CD1 4.46Å; F308-L311 VanDerWaalsContact O-CB 3.29Å; F308-L311 WeakPolarHBondContact O-CB 3.42Å; F308-L311 PolarHBondContact O-N 3.06Å
309H97.4Very high98.1Very high148 Ų14829 Ų2969%0.68516%0.157SC*.BIsolated β-bridgetrans-60.5134174.5177.4-112.2000110.4V223 L307 L311V223-H309 PolarHBondContact N-O 3.48Å; L307-H309 PolarHBondContact O-N 2.95Å; H309-L311 VanDerWaalsContact C-N 3.32Å
310G97.4Very high98Very high9 Ų935 Ų359%0.09319%0.185CC..THydrogen-bonded Turntrans81.41.5-179.700000115.3F308 R314F308-G310 PolarHBondContact O-N 2.92Å; G310-R314 VanDerWaalsContact O-CB 3.29Å; G310-R314 WeakPolarHBondContact O-CB 3.5Å; G310-R314 PolarHBondContact O-N 3.43Å
311L98.5Very high97.8Very high1 Ų141.7 Ų41.71%0.00522%0.217CC..Hα-helixtrans-65.9-43.7-179.7-178.7146000112.3V223 L263 L276 L301 F308 H309 L315V223-L311 HydrophobicContact CB-CB 4.34Å; V223-L311 HydrophobicContact CG2-CB 3.95Å; V223-L311 HydrophobicContact CG2-CD1 4.29Å; V223-L311 HydrophobicContact CG2-CG 4.4Å; L263-L311 HydrophobicContact CD1-CD1 4.02Å; L276-L311 HydrophobicContact CD2-CD2 4.44Å; L301-L311 HydrophobicContact CD1-CD2 3.69Å; F308-L311 HydrophobicContact CB-CB 4.31Å; F308-L311 HydrophobicContact CB-CD1 4.41Å; F308-L311 HydrophobicContact CD2-CD1 4.46Å; F308-L311 VanDerWaalsContact O-CB 3.29Å; F308-L311 WeakPolarHBondContact O-CB 3.42Å; F308-L311 PolarHBondContact O-N 3.06Å; H309-L311 VanDerWaalsContact C-N 3.32Å; L311-L315 WeakPolarHBondContact O-CB 3.42Å; L311-L315 PolarHBondContact O-N 2.88Å
312D97.9Very high97.6Very high52 Ų5244.7 Ų44.728%0.27823%0.232SC..Hα-helixtrans-65.7-44.217650.3-18000112L301 L315 L316 I331L301-D312 HydrophobicContact CD1-CB 4Å; D312-L315 PolarHBondContact O-N 3.38Å; D312-L316 VanDerWaalsContact O-CB 3.3Å; D312-L316 WeakPolarHBondContact O-CB 3.41Å; D312-L316 PolarHBondContact O-N 3Å; D312-I331 HydrophobicContact CB-CG2 4.22Å
313D98Very high97.3Very high94 Ų9445.5 Ų45.550%0.50324%0.239SC..Hα-helixtrans-60.8-45.9175.1-69.1-39.2000112.2L225 L316 K317L225-D313 HydrophobicContact CD1-CB 4.35Å; D313-L316 PolarHBondContact O-N 3.5Å; D313-K317 WeakPolarHBondContact O-CB 3.37Å; D313-K317 PolarHBondContact O-N 3.36Å
314R98.2Very high96.8Very high16 Ų1648.9 Ų48.96%0.0626%0.261CS..Hα-helixtrans-63.6-46177.2176.762.7178-74.9-9.1111.4V223 A224 L225 E261 F264 G310 K317 E318V223-R314 HydrophobicContact CG1-CB 3.53Å; V223-R314 HydrophobicContact CG1-CG 3.66Å; A224-R314 WeakPolarHBondContact O-CD 3.45Å; A224-R314 PolarHBondContact O-NH1 3.38Å; L225-R314 WeakPolarHBondContact O-CD 3.22Å; E261-R314 IonicContact OE1-CZ 2.77Å; E261-R314 IonicContact OE1-NH1 2.69Å; E261-R314 IonicContact OE1-NH2 3.1Å; E261-R314 PolarHBondContact OE1-NH2 3.47Å; E261-R314 IonicContact OE2-CZ 3.28Å; E261-R314 IonicContact OE2-NH1 3.76Å; E261-R314 PolarHBondContact OE2-NH1 3.25Å; E261-R314 IonicContact OE2-NH2 3.61Å; F264-R314 HydrophobicContact CD1-CG 4.11Å; F264-R314 HydrophobicContact CE1-CB 4.44Å; F264-R314 HydrophobicContact CE1-CG 3.61Å; F264-R314 HydrophobicContact CE2-CG 4.07Å; F264-R314 HydrophobicContact CZ-CB 4.09Å; F264-R314 HydrophobicContact CZ-CG 3.59Å; G310-R314 VanDerWaalsContact O-CB 3.29Å; G310-R314 WeakPolarHBondContact O-CB 3.5Å; G310-R314 PolarHBondContact O-N 3.43Å; R314-K317 PolarHBondContact O-N 3.22Å; R314-E318 IonicContact CZ-OE1 3.19Å; R314-E318 IonicContact NE-OE1 3.63Å; R314-E318 PolarHBondContact NE-OE1 3.17Å; R314-E318 IonicContact NH2-OE1 3Å; R314-E318 PolarHBondContact NH2-OE1 2.88Å; R314-E318 PolarHBondContact O-N 3.04Å
315L98.5Very high96.1Very high0 Ų057.1 Ų57.10%029%0.286CS..Hα-helixtrans-62.9-43.9178.8-178.659.1000111.1L276 S277 V280 L301 L311 D312 K317 E318 L319 I331L276-L315 HydrophobicContact CD2-CD2 4.46Å; L276-L315 HydrophobicContact CG-CD1 4.33Å; S277-L315 WeakPolarHBondContact OG-CD1 3.47Å; V280-L315 HydrophobicContact CG2-CD1 4.36Å; L301-L315 HydrophobicContact CD2-CD2 4.06Å; L311-L315 WeakPolarHBondContact O-CB 3.42Å; L311-L315 PolarHBondContact O-N 2.88Å; D312-L315 PolarHBondContact O-N 3.38Å; L315-K317 PolarHBondContact O-N 2.83Å; L315-E318 PolarHBondContact O-N 3.35Å; L315-L319 HydrophobicContact CD1-CD1 3.94Å; L315-L319 HydrophobicContact CD1-CG 4.01Å; L315-L319 HydrophobicContact CG-CD1 3.86Å; L315-L319 HydrophobicContact CG-CG 4.34Å; L315-L319 WeakPolarHBondContact O-CB 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.13Å; L315-L319 PolarHBondContact O-N 2.63Å; L315-I331 HydrophobicContact CB-CD1 4.01Å; L315-I331 HydrophobicContact CD2-CD1 3.99Å; L315-I331 HydrophobicContact CG-CD1 3.79Å
316L98.1Very high95.5Very high54 Ų5464 Ų6428%0.28332%0.322SS..Hα-helixtrans-57.6-51.7176.3179.660.9000110.9D312 D313 E318 L319 E320 I329 I331D312-L316 VanDerWaalsContact O-CB 3.3Å; D312-L316 WeakPolarHBondContact O-CB 3.41Å; D312-L316 PolarHBondContact O-N 3Å; D313-L316 PolarHBondContact O-N 3.5Å; L316-E318 VanDerWaalsContact C-N 3.33Å; L316-E318 PolarHBondContact O-N 3.34Å; L316-L319 PolarHBondContact O-N 3.43Å; L316-L319 VanDerWaalsContact O-N 3.16Å; L316-E320 HydrophobicContact CD1-CG 4.41Å; L316-E320 WeakPolarHBondContact O-CG 3.27Å; L316-E320 PolarHBondContact O-N 2.83Å; L316-I329 HydrophobicContact CD1-CB 3.9Å; L316-I329 HydrophobicContact CD1-CG2 3.58Å; L316-I331 HydrophobicContact CB-CD1 3.89Å
317K97.4Very high95.2Very high52 Ų5264.9 Ų64.923%0.22633%0.328CS..Hα-helixtrans-58.5-42-179.7179.2179.3176.7-177.30112.9L225 E226 D313 R314 L315 Q321L225-K317 HydrophobicContact CD1-CB 4.01Å; L225-K317 HydrophobicContact CD1-CD 3.55Å; L225-K317 HydrophobicContact CD1-CG 4.43Å; L225-K317 HydrophobicContact CD2-CD 4.32Å; L225-K317 HydrophobicContact CG-CD 3.76Å; E226-K317 IonicContact OE1-NZ 2.67Å; E226-K317 IonicContact OE2-NZ 3.53Å; E226-K317 PolarHBondContact OE2-NZ 2.96Å; D313-K317 WeakPolarHBondContact O-CB 3.37Å; D313-K317 PolarHBondContact O-N 3.36Å; R314-K317 PolarHBondContact O-N 3.22Å; L315-K317 PolarHBondContact O-N 2.83Å; K317-Q321 WeakPolarHBondContact O-CG 3.26Å
318E97.8Very high95Very high39 Ų3965.4 Ų65.418%0.18234%0.336CS..Hα-helixtrans-71.7-37.4177.5-73.2-168.1-174.800111.9F264 S277 R314 L315 L316 E320 Q321 L322F264-E318 WeakPolarHBondContact CD1-OE2 3.5Å; S277-E318 WeakPolarHBondContact CB-OE2 3.39Å; S277-E318 WeakPolarHBondContact OG-CB 3.43Å; S277-E318 PolarHBondContact OG-OE2 2.85Å; R314-E318 IonicContact CZ-OE1 3.19Å; R314-E318 IonicContact NE-OE1 3.63Å; R314-E318 PolarHBondContact NE-OE1 3.17Å; R314-E318 IonicContact NH2-OE1 3Å; R314-E318 PolarHBondContact NH2-OE1 2.88Å; R314-E318 PolarHBondContact O-N 3.04Å; L315-E318 PolarHBondContact O-N 3.35Å; L316-E318 VanDerWaalsContact C-N 3.33Å; L316-E318 PolarHBondContact O-N 3.34Å; E318-E320 PolarHBondContact O-N 2.51Å; E318-Q321 WeakPolarHBondContact O-CB 3.23Å; E318-Q321 PolarHBondContact O-N 3.26Å; E318-L322 WeakPolarHBondContact O-CG 3.38Å; E318-L322 PolarHBondContact O-N 3.23Å; E318-L322 VanDerWaalsContact O-N 3.16Å
319L97.6Very high94.9Very high0 Ų066.3 Ų66.30%034%0.341CS..Hα-helixtrans-67.2-35.1176.6-69.6175.2000112.8S277 V280 I299 L315 L316 Q321 L322 A323 I329 I331S277-L319 WeakPolarHBondContact O-CD2 3.39Å; V280-L319 HydrophobicContact CB-CD2 3.98Å; V280-L319 HydrophobicContact CG1-CD1 3.74Å; V280-L319 HydrophobicContact CG1-CD2 3.56Å; V280-L319 HydrophobicContact CG1-CG 4.29Å; I299-L319 HydrophobicContact CD1-CD1 3.63Å; L315-L319 HydrophobicContact CD1-CD1 3.94Å; L315-L319 HydrophobicContact CD1-CG 4.01Å; L315-L319 HydrophobicContact CG-CD1 3.86Å; L315-L319 HydrophobicContact CG-CG 4.34Å; L315-L319 WeakPolarHBondContact O-CB 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.13Å; L315-L319 PolarHBondContact O-N 2.63Å; L316-L319 PolarHBondContact O-N 3.43Å; L316-L319 VanDerWaalsContact O-N 3.16Å; L319-Q321 PolarHBondContact O-N 3.48Å; L319-L322 PolarHBondContact O-N 2.95Å; L319-L322 VanDerWaalsContact O-N 3.08Å; L319-A323 VanDerWaalsContact O-CB 3.25Å; L319-A323 WeakPolarHBondContact O-CB 3.48Å; L319-A323 PolarHBondContact O-N 2.82Å; L319-I329 HydrophobicContact CB-CD1 3.86Å; L319-I329 HydrophobicContact CB-CG2 4.43Å; L319-I329 HydrophobicContact CD1-CG2 4.31Å; L319-I331 HydrophobicContact CD1-CD1 4.27Å
320E96.1Very high95Very high125 Ų12563.8 Ų63.858%0.58433%0.328SS*.Hα-helixtrans-59.8-29.2172.8-74.7177.7158.700112.5L316 E318 I329L316-E320 HydrophobicContact CD1-CG 4.41Å; L316-E320 WeakPolarHBondContact O-CG 3.27Å; L316-E320 PolarHBondContact O-N 2.83Å; E318-E320 PolarHBondContact O-N 2.51Å; E320-I329 HydrophobicContact CB-CD1 4.45Å; E320-I329 HydrophobicContact CG-CD1 3.97Å
321Q94.6Very high95Very high141 Ų14165 Ų6566%0.65933%0.332SS*.Hα-helixtrans-80.9-29.4175.6-62.8173.518.200112.5K317 E318 L319K317-Q321 WeakPolarHBondContact O-CG 3.26Å; E318-Q321 WeakPolarHBondContact O-CB 3.23Å; E318-Q321 PolarHBondContact O-N 3.26Å; L319-Q321 PolarHBondContact O-N 3.48Å
322L95.1Very high95Very high62 Ų6266.9 Ų66.933%0.32534%0.344SS..Hα-helixtrans-89.4-27.6-177.8-64.8175.3000113.4H278 E318 L319H278-L322 VanDerWaalsContact CE1-CD2 3.5Å; H278-L322 WeakPolarHBondContact CE1-CD2 3.3Å; E318-L322 WeakPolarHBondContact O-CG 3.38Å; E318-L322 PolarHBondContact O-N 3.23Å; E318-L322 VanDerWaalsContact O-N 3.16Å; L319-L322 PolarHBondContact O-N 2.95Å; L319-L322 VanDerWaalsContact O-N 3.08Å
323A92.4Very high94.9Very high18 Ų1865.8 Ų65.815%0.14934%0.342CS..SBendtrans-83.9165.6-179.900000112F296 L319 I329F296-A323 HydrophobicContact CD1-CB 4.45Å; F296-A323 HydrophobicContact CE1-CB 4Å; F296-A323 HydrophobicContact CZ-CB 4.14Å; L319-A323 VanDerWaalsContact O-CB 3.25Å; L319-A323 WeakPolarHBondContact O-CB 3.48Å; L319-A323 PolarHBondContact O-N 2.82Å; A323-I329 HydrophobicContact CB-CD1 3.9Å; A323-I329 HydrophobicContact CB-CG1 4.49Å
324S87.8Confident94.8Very high78 Ų7862.6 Ų62.655%0.54533%0.327SS..  trans-69.9148.2172.981.90000111D326 T327S324-D326 PolarHBondContact O-N 2.82Å; S324-T327 PolarHBondContact O-N 3.13Å; S324-T327 PolarHBondContact O-OG1 2.63Å; S324-T327 PolarHBondContact OG-OG1 2.66Å
325K82.4Confident94.7Very high212 Ų21266.8 Ų66.892%0.92236%0.356SS*.THydrogen-bonded Turntrans-55.5-17.1-171.2-76.8-173.6175.5-177.60116.1
326D84.9Confident94.4Very high152 Ų15270.6 Ų70.681%0.81338%0.376SS*.THydrogen-bonded Turntrans-115.28.1-178.4-56.7-50.9000113.3S324 P328S324-D326 PolarHBondContact O-N 2.82Å; D326-P328 VanDerWaalsContact O-CD 3.32Å; D326-P328 WeakPolarHBondContact O-CD 3.41Å
327T91.7Very high94.4Very high20 Ų2069.4 Ų69.412%0.12337%0.368CS..  trans-80.6116178-58.70000109.6F296 S324 I329F296-T327 HydrophobicContact CB-CG2 3.49Å; F296-T327 VanDerWaalsContact CB-CG2 3.49Å; F296-T327 HydrophobicContact CD1-CG2 4.44Å; F296-T327 HydrophobicContact CD2-CG2 3.62Å; F296-T327 HydrophobicContact CE2-CG2 4.46Å; F296-T327 HydrophobicContact CG-CG2 3.61Å; S324-T327 PolarHBondContact O-N 3.13Å; S324-T327 PolarHBondContact O-OG1 2.63Å; S324-T327 PolarHBondContact OG-OG1 2.66Å; T327-I329 PolarHBondContact O-N 3.32Å
328P93.9Very high94.3Very high87 Ų8771 Ų7157%0.56537%0.373SS*.  trans-66.9129.4172.228.6-33.1000109.5F296 G297 D326F296-P328 CarbonylContact C-O 3.58Å; G297-P328 PolarHBondContact N-O 3.43Å; D326-P328 VanDerWaalsContact O-CD 3.32Å; D326-P328 WeakPolarHBondContact O-CD 3.41Å
329I97.9Very high94.2Very high33 Ų3370.2 Ų70.217%0.16937%0.369CS..  trans-112.3129.9175.7-58.3163.2000108F296 I299 L316 L319 E320 A323 T327 I331F296-I329 HydrophobicContact CD1-CG1 4.13Å; F296-I329 WeakPolarHBondContact O-CA 3.49Å; I299-I329 HydrophobicContact CD1-CG2 4.23Å; L316-I329 HydrophobicContact CD1-CB 3.9Å; L316-I329 HydrophobicContact CD1-CG2 3.58Å; L319-I329 HydrophobicContact CB-CD1 3.86Å; L319-I329 HydrophobicContact CB-CG2 4.43Å; L319-I329 HydrophobicContact CD1-CG2 4.31Å; E320-I329 HydrophobicContact CB-CD1 4.45Å; E320-I329 HydrophobicContact CG-CD1 3.97Å; A323-I329 HydrophobicContact CB-CD1 3.9Å; A323-I329 HydrophobicContact CB-CG1 4.49Å; T327-I329 PolarHBondContact O-N 3.32Å; I329-I331 HydrophobicContact CG2-CG1 4.37Å
330K97.7Very high94.2Very high95 Ų9570.4 Ų70.441%0.41337%0.37SS..  trans-134.4124.5175177.3-166.3171.8-149.90108.8F296 G297 E298 I299F296-K330 PolarHBondContact O-N 3.12Å; G297-K330 WeakPolarHBondContact O-CB 3.43Å; G297-K330 WeakPolarHBondContact O-CD 3.38Å; E298-K330 IonicContact OE1-NZ 3.5Å; E298-K330 PolarHBondContact OE1-NZ 2.97Å; E298-K330 IonicContact OE2-NZ 2.86Å; E298-K330 PolarHBondContact OE2-NZ 3.18Å; I299-K330 WeakPolarHBondContact CB-O 3.31Å; I299-K330 PolarHBondContact N-O 2.83Å
331I98.4Very high94.3Very high33 Ų3364.7 Ų64.717%0.16934%0.344CS..EExtended strand (participates in β ladder)trans-111.3123.5175-56.1179.5000107.6I299 L301 D312 L315 L316 L319 I329I299-I331 HydrophobicContact CB-CG1 4.25Å; I299-I331 HydrophobicContact CD1-CG1 4.37Å; I299-I331 HydrophobicContact CG2-CG1 4.44Å; I299-I331 CarbonylContact O-C 3.53Å; I299-I331 WeakPolarHBondContact O-CA 3.32Å; L301-I331 HydrophobicContact CD1-CG2 3.89Å; L301-I331 HydrophobicContact CD2-CG2 3.96Å; L301-I331 HydrophobicContact CG-CG2 3.7Å; D312-I331 HydrophobicContact CB-CG2 4.22Å; L315-I331 HydrophobicContact CB-CD1 4.01Å; L315-I331 HydrophobicContact CD2-CD1 3.99Å; L315-I331 HydrophobicContact CG-CD1 3.79Å; L316-I331 HydrophobicContact CB-CD1 3.89Å; L319-I331 HydrophobicContact CD1-CD1 4.27Å; I329-I331 HydrophobicContact CG2-CG1 4.37Å
332T98Very high94.5Very high42 Ų4258 Ų5826%0.25831%0.312SS..EExtended strand (participates in β ladder)trans-105.2119.1175.9-550000108.4I299 V300 L301 P334I299-T332 PolarHBondContact O-N 3.2Å; V300-T332 WeakPolarHBondContact CA-O 3.47Å; L301-T332 PolarHBondContact N-O 2.92Å; T332-P334 HydrophobicContact CG2-CG 4.46Å; T332-P334 WeakPolarHBondContact O-CD 3.27Å
333A97.3Very high94.6Very high29 Ų2956.7 Ų56.724%0.2431%0.305CS..  trans-119.286.317900000110L301L301-A333 HydrophobicContact CB-CB 4.4Å; L301-A333 HydrophobicContact CD1-CB 3.94Å; L301-A333 HydrophobicContact CG-CB 4.35Å
334P95.8Very high94.9Very high27 Ų2755.8 Ų55.818%0.17530%0.298CS..  trans-56.3143.9177.2-23.533.7000111.2T332 D336 R337T332-P334 HydrophobicContact CG2-CG 4.46Å; T332-P334 WeakPolarHBondContact O-CD 3.27Å; P334-D336 PolarHBondContact O-N 3.48Å; P334-R337 HydrophobicContact CB-CB 4.24Å; P334-R337 WeakPolarHBondContact O-CB 3.29Å; P334-R337 VanDerWaalsContact O-CD 3.31Å; P334-R337 WeakPolarHBondContact O-CD 3.21Å; P334-R337 WeakPolarHBondContact O-CG 3.39Å; P334-R337 PolarHBondContact O-N 3.45Å; P334-R337 PolarHBondContact O-NH1 3.1Å
335P94.4Very high95.4Very high104 Ų10452.1 Ų52.168%0.67527%0.272SS*.THydrogen-bonded Turntrans-62-35.9177.623.7-32.6000111.9R337P335-R337 VanDerWaalsContact C-N 3.25Å; P335-R337 PolarHBondContact O-N 3.21Å
336D93.8Very high96.1Very high80 Ų8042.2 Ų42.243%0.42823%0.23SC..THydrogen-bonded Turntrans-88.517.5-178.7-63.2-46.6000113.5P334 W338 F339 S340 I343P334-D336 PolarHBondContact O-N 3.48Å; D336-W338 PolarHBondContact O-N 3.45Å; D336-F339 HydrophobicContact CB-CD1 4.33Å; D336-F339 HydrophobicContact CB-CE1 3.56Å; D336-F339 HydrophobicContact CB-CE2 4.35Å; D336-F339 HydrophobicContact CB-CZ 3.58Å; D336-F339 VanDerWaalsContact O-CD1 3.25Å; D336-F339 WeakPolarHBondContact O-CD1 3.4Å; D336-F339 PolarHBondContact O-N 3.36Å; D336-S340 PolarHBondContact O-N 3.12Å; D336-I343 HydrophobicContact CB-CD1 4.14Å
337R96.4Very high96.6Very high29 Ų2938.5 Ų38.511%0.10921%0.209CC..G310 helixtrans-60.8-16.7-169.964.8-173.6173.1-87.18.8116.4L301 G303 T306 L307 P334 P335 F339 S340L301-R337 WeakPolarHBondContact O-CB 3.48Å; G303-R337 PolarHBondContact N-O 3.31Å; T306-R337 PolarHBondContact O-NE 3.07Å; T306-R337 PolarHBondContact O-NH2 2.99Å; T306-R337 VanDerWaalsContact OG1-CD 3.28Å; T306-R337 WeakPolarHBondContact OG1-CD 3.39Å; T306-R337 PolarHBondContact OG1-NE 3.08Å; L307-R337 HydrophobicContact CD2-CG 3.87Å; P334-R337 HydrophobicContact CB-CB 4.24Å; P334-R337 WeakPolarHBondContact O-CB 3.29Å; P334-R337 VanDerWaalsContact O-CD 3.31Å; P334-R337 WeakPolarHBondContact O-CD 3.21Å; P334-R337 WeakPolarHBondContact O-CG 3.39Å; P334-R337 PolarHBondContact O-N 3.45Å; P334-R337 PolarHBondContact O-NH1 3.1Å; P335-R337 VanDerWaalsContact C-N 3.25Å; P335-R337 PolarHBondContact O-N 3.21Å; R337-F339 PolarHBondContact O-N 3.1Å; R337-S340 WeakPolarHBondContact CA-OG 3.39Å; R337-S340 PolarHBondContact O-N 3.34Å
338W95.6Very high96.8Very high86 Ų8638.1 Ų38.133%0.32621%0.207SC..G310 helixtrans-71.3-12.3176.168.4-82.9000113.9I34 L307 D336I34-W338 HydrophobicContact CD1-CH2 3.22Å; I34-W338 HydrophobicContact CD1-CZ2 4.43Å; I34-W338 HydrophobicContact CD1-CZ3 3.5Å; I34-W338 VanDerWaalsContact CD1-CZ3 3.5Å; I34-W338 HydrophobicContact CG2-CZ3 4.48Å; L307-W338 HydrophobicContact CD1-CB 3.79Å; L307-W338 HydrophobicContact CD1-CG 4.11Å; L307-W338 HydrophobicContact CG-CB 4.37Å; D336-W338 PolarHBondContact O-N 3.45Å
339F96.1Very high96.9Very high21 Ų2134.8 Ų34.89%0.09219%0.185CC..G310 helixtrans-134.422.1171.365-77.3000113.2P31 D336 R337 T341 W342 I343P31-F339 VanDerWaalsContact CD-CD2 3.45Å; P31-F339 HydrophobicContact CG-CD2 4.34Å; D336-F339 HydrophobicContact CB-CD1 4.33Å; D336-F339 HydrophobicContact CB-CE1 3.56Å; D336-F339 HydrophobicContact CB-CE2 4.35Å; D336-F339 HydrophobicContact CB-CZ 3.58Å; D336-F339 VanDerWaalsContact O-CD1 3.25Å; D336-F339 WeakPolarHBondContact O-CD1 3.4Å; D336-F339 PolarHBondContact O-N 3.36Å; R337-F339 PolarHBondContact O-N 3.1Å; F339-T341 PolarHBondContact O-N 2.97Å; F339-W342 HydrophobicContact CB-CB 4.42Å; F339-W342 WeakPolarHBondContact O-CB 3.47Å; F339-W342 PolarHBondContact O-N 3.39Å; F339-I343 HydrophobicContact CD2-CD1 3.76Å; F339-I343 HydrophobicContact CD2-CG1 3.64Å; F339-I343 HydrophobicContact CE2-CD1 3.55Å; F339-I343 HydrophobicContact CE2-CG1 3.72Å; F339-I343 HydrophobicContact CZ-CD1 4.24Å; F339-I343 PolarHBondContact O-N 3.5Å
340S97.8Very high96.7Very high4 Ų436.2 Ų36.23%0.02820%0.198CC..Hα-helixtrans-51.3-43174.5-83.60000112.7A148 D336 R337 W342 I343 G344A148-S340 VanDerWaalsContact CB-O 3.23Å; A148-S340 WeakPolarHBondContact CB-O 3.31Å; D336-S340 PolarHBondContact O-N 3.12Å; R337-S340 WeakPolarHBondContact CA-OG 3.39Å; R337-S340 PolarHBondContact O-N 3.34Å; S340-W342 VanDerWaalsContact C-N 3.28Å; S340-W342 PolarHBondContact O-N 2.93Å; S340-I343 PolarHBondContact O-N 3.08Å; S340-G344 PolarHBondContact O-N 2.76Å
341T97.9Very high96.5Very high6 Ų635.9 Ų35.94%0.03720%0.2CC..Hα-helixtrans-54.3-44.8175.5-59.60000112.2T110 Q141 L144 F339 G344 A345T110-T341 HydrophobicContact CG2-CG2 3.88Å; Q141-T341 HydrophobicContact CB-CG2 3.88Å; Q141-T341 HydrophobicContact CG-CG2 3.85Å; Q141-T341 PolarHBondContact O-OG1 3.27Å; Q141-T341 VanDerWaalsContact O-OG1 3.1Å; L144-T341 HydrophobicContact CB-CG2 4.21Å; L144-T341 WeakPolarHBondContact CB-O 3.47Å; L144-T341 HydrophobicContact CD1-CG2 4.12Å; F339-T341 PolarHBondContact O-N 2.97Å; T341-G344 PolarHBondContact O-N 2.96Å; T341-A345 PolarHBondContact O-N 2.89Å
342W98.4Very high96.1Very high0 Ų039.2 Ų39.20%023%0.226CC..Hα-helixtrans-68.8-40.9178.9-170.795.4000111.5I13 D15 K22 E28 G30 P31 F339 S340 G344 A345 S346I13-W342 HydrophobicContact CB-CZ2 4.44Å; I13-W342 HydrophobicContact CD1-CZ2 4.11Å; I13-W342 HydrophobicContact CG2-CG 4.29Å; D15-W342 HydrophobicContact CB-CB 4.25Å; K22-W342 HydrophobicContact CB-CG 4.37Å; E28-W342 HydrophobicContact CB-CH2 4Å; E28-W342 WeakPolarHBondContact O-CZ3 3.18Å; G30-W342 VanDerWaalsContact C-CH2 3.5Å; G30-W342 VanDerWaalsContact O-CH2 3.29Å; G30-W342 WeakPolarHBondContact O-CH2 3.43Å; G30-W342 WeakPolarHBondContact O-CZ3 3.35Å; P31-W342 HydrophobicContact CB-CD2 3.85Å; P31-W342 HydrophobicContact CB-CE3 4.41Å; P31-W342 HydrophobicContact CB-CG 4.06Å; P31-W342 HydrophobicContact CB-CZ2 4.47Å; P31-W342 HydrophobicContact CG-CD2 4.35Å; P31-W342 HydrophobicContact CG-CG 4.46Å; F339-W342 HydrophobicContact CB-CB 4.42Å; F339-W342 WeakPolarHBondContact O-CB 3.47Å; F339-W342 PolarHBondContact O-N 3.39Å; S340-W342 VanDerWaalsContact C-N 3.28Å; S340-W342 PolarHBondContact O-N 2.93Å; W342-G344 VanDerWaalsContact C-N 3.32Å; W342-G344 PolarHBondContact O-N 3.39Å; W342-A345 WeakPolarHBondContact O-CB 3.43Å; W342-A345 PolarHBondContact O-N 3.45Å; W342-S346 PolarHBondContact O-N 2.85Å
343I98Very high95.8Very high34 Ų3440.8 Ų40.817%0.17424%0.239CC..Hα-helixtrans-58.2-46.8174.1-65.4169.5000110.2A148 D336 F339 S340 A345 S346 I347A148-I343 HydrophobicContact CB-CB 4.01Å; A148-I343 HydrophobicContact CB-CG2 3.88Å; D336-I343 HydrophobicContact CB-CD1 4.14Å; F339-I343 HydrophobicContact CD2-CD1 3.76Å; F339-I343 HydrophobicContact CD2-CG1 3.64Å; F339-I343 HydrophobicContact CE2-CD1 3.55Å; F339-I343 HydrophobicContact CE2-CG1 3.72Å; F339-I343 HydrophobicContact CZ-CD1 4.24Å; F339-I343 PolarHBondContact O-N 3.5Å; S340-I343 PolarHBondContact O-N 3.08Å; I343-A345 VanDerWaalsContact C-N 3.33Å; I343-A345 PolarHBondContact O-N 3.1Å; I343-S346 WeakPolarHBondContact O-CB 3.48Å; I343-S346 PolarHBondContact O-N 3.36Å; I343-S346 VanDerWaalsContact O-N 3.12Å; I343-I347 HydrophobicContact CG2-CD1 3.74Å; I343-I347 HydrophobicContact CG2-CG1 4.35Å; I343-I347 WeakPolarHBondContact O-CG1 3.02Å; I343-I347 PolarHBondContact O-N 2.93Å
344G97.8Very high95.5Very high0 Ų040.3 Ų40.30%023%0.232CC..Hα-helixtrans-57.1-46.1177.100000112.2L144 S340 T341 W342 S346 I347 V348L144-G344 VanDerWaalsContact O-CA 3.27Å; L144-G344 WeakPolarHBondContact O-CA 3.47Å; S340-G344 PolarHBondContact O-N 2.76Å; T341-G344 PolarHBondContact O-N 2.96Å; W342-G344 VanDerWaalsContact C-N 3.32Å; W342-G344 PolarHBondContact O-N 3.39Å; G344-S346 VanDerWaalsContact C-N 3.35Å; G344-S346 PolarHBondContact O-N 3.47Å; G344-I347 PolarHBondContact O-N 3.24Å; G344-V348 WeakPolarHBondContact O-CG1 3.45Å; G344-V348 WeakPolarHBondContact O-CG2 3.25Å; G344-V348 PolarHBondContact O-N 3.4Å
345A98.2Very high95.3Very high0 Ų043.5 Ų43.50%024%0.243CC..Hα-helixtrans-59-44.317400000112.3I13 L108 L144 T341 W342 I343 I347 V348 T349I13-A345 HydrophobicContact CD1-CB 4.17Å; I13-A345 HydrophobicContact CG1-CB 4.32Å; I13-A345 HydrophobicContact CG2-CB 3.52Å; L108-A345 HydrophobicContact CD1-CB 4.33Å; L108-A345 HydrophobicContact CD2-CB 3.74Å; L144-A345 HydrophobicContact CD1-CB 3.96Å; L144-A345 HydrophobicContact CD2-CB 4.4Å; T341-A345 PolarHBondContact O-N 2.89Å; W342-A345 WeakPolarHBondContact O-CB 3.43Å; W342-A345 PolarHBondContact O-N 3.45Å; I343-A345 VanDerWaalsContact C-N 3.33Å; I343-A345 PolarHBondContact O-N 3.1Å; A345-I347 PolarHBondContact O-N 2.98Å; A345-V348 WeakPolarHBondContact O-CG2 3.34Å; A345-V348 PolarHBondContact O-N 3.36Å; A345-T349 WeakPolarHBondContact O-CB 3.34Å; A345-T349 WeakPolarHBondContact O-CG2 3.23Å; A345-T349 PolarHBondContact O-N 3.15Å; A345-T349 PolarHBondContact O-OG1 3.06Å
346S97.9Very high95.1Very high5 Ų546.6 Ų46.64%0.03525%0.248CC..Hα-helixtrans-61.2-43.8178.3-1750000111.8I13 G27 E28 W342 I343 G344 T349 S350I13-S346 VanDerWaalsContact CD1-CA 3.42Å; G27-S346 PolarHBondContact N-OG 3.37Å; E28-S346 PolarHBondContact N-OG 3.15Å; E28-S346 PolarHBondContact O-OG 2.8Å; W342-S346 PolarHBondContact O-N 2.85Å; I343-S346 WeakPolarHBondContact O-CB 3.48Å; I343-S346 PolarHBondContact O-N 3.36Å; I343-S346 VanDerWaalsContact O-N 3.12Å; G344-S346 VanDerWaalsContact C-N 3.35Å; G344-S346 PolarHBondContact O-N 3.47Å; S346-T349 PolarHBondContact O-OG1 2.94Å; S346-S350 WeakPolarHBondContact O-CB 3.05Å; S346-S350 PolarHBondContact O-N 3.25Å; S346-S350 PolarHBondContact O-OG 3.08Å
347I95.9Very high95.1Very high74 Ų7446.4 Ų46.438%0.37925%0.246SC..Hα-helixtrans-63.2-56176.9-67.2166.8000110.4I343 G344 A345 T349 S350 L351I343-I347 HydrophobicContact CG2-CD1 3.74Å; I343-I347 HydrophobicContact CG2-CG1 4.35Å; I343-I347 WeakPolarHBondContact O-CG1 3.02Å; I343-I347 PolarHBondContact O-N 2.93Å; G344-I347 PolarHBondContact O-N 3.24Å; A345-I347 PolarHBondContact O-N 2.98Å; I347-T349 PolarHBondContact O-N 2.98Å; I347-S350 WeakPolarHBondContact O-CB 3.29Å; I347-S350 PolarHBondContact O-N 2.9Å; I347-S350 VanDerWaalsContact O-N 3.14Å; I347-L351 PolarHBondContact O-N 3.16Å
348V95.3Very high95.1Very high12 Ų1245.5 Ų45.57%0.07324%0.242CC..Hα-helixtrans-65.5-39.4-172.3-61.60000112.4L108 L144 Y147 G344 A345 S350 L351 F354L108-V348 HydrophobicContact CD1-CG2 4.22Å; L144-V348 HydrophobicContact CD2-CG2 3.82Å; Y147-V348 HydrophobicContact CD2-CG1 3.42Å; Y147-V348 VanDerWaalsContact CD2-CG1 3.42Å; Y147-V348 HydrophobicContact CE2-CG1 3.97Å; Y147-V348 HydrophobicContact CG-CG1 4.16Å; G344-V348 WeakPolarHBondContact O-CG1 3.45Å; G344-V348 WeakPolarHBondContact O-CG2 3.25Å; G344-V348 PolarHBondContact O-N 3.4Å; A345-V348 WeakPolarHBondContact O-CG2 3.34Å; A345-V348 PolarHBondContact O-N 3.36Å; V348-S350 PolarHBondContact O-N 2.78Å; V348-L351 WeakPolarHBondContact O-CB 3.25Å; V348-L351 PolarHBondContact O-N 3.26Å; V348-L351 VanDerWaalsContact O-N 3.1Å; V348-F354 HydrophobicContact CB-CD2 4.15Å; V348-F354 HydrophobicContact CB-CE2 4.32Å; V348-F354 HydrophobicContact CG2-CD2 4.34Å; V348-F354 HydrophobicContact CG2-CE2 4.05Å; V348-F354 WeakPolarHBondContact O-CB 3.44Å; V348-F354 WeakPolarHBondContact O-CG 3.16Å
349T96.2Very high95.2Very high16 Ų1641.4 Ų41.410%0.09823%0.227CC..Hα-helixtrans-69-21.2178.952.50000113A11 S26 L108 A345 S346 I347 L351 F354 W358A11-T349 HydrophobicContact CB-CG2 4.36Å; S26-T349 VanDerWaalsContact CB-OG1 3.28Å; S26-T349 WeakPolarHBondContact CB-OG1 3.38Å; S26-T349 VanDerWaalsContact OG-C 3.29Å; S26-T349 WeakPolarHBondContact OG-CB 3.49Å; S26-T349 PolarHBondContact OG-OG1 3.49Å; L108-T349 HydrophobicContact CB-CG2 3.86Å; L108-T349 HydrophobicContact CD1-CG2 3.38Å; L108-T349 HydrophobicContact CG-CG2 4.25Å; A345-T349 WeakPolarHBondContact O-CB 3.34Å; A345-T349 WeakPolarHBondContact O-CG2 3.23Å; A345-T349 PolarHBondContact O-N 3.15Å; A345-T349 PolarHBondContact O-OG1 3.06Å; S346-T349 PolarHBondContact O-OG1 2.94Å; I347-T349 PolarHBondContact O-N 2.98Å; T349-L351 VanDerWaalsContact C-N 3.31Å; T349-F354 HydrophobicContact CG2-CD1 4.2Å; T349-F354 HydrophobicContact CG2-CE1 3.82Å; T349-F354 HydrophobicContact CG2-CZ 4.27Å; T349-W358 HydrophobicContact CG2-CH2 4.12Å; T349-W358 HydrophobicContact CG2-CZ2 4.2Å
350S94.5Very high95.2Very high64 Ų6441.5 Ų41.545%0.44823%0.229SC..Hα-helixtrans-79.4-13.4174.5-60.80000113.1S26 G27 S346 I347 V348S26-S350 PolarHBondContact OG-N 3.12Å; S26-S350 PolarHBondContact OG-OG 2.81Å; S26-S350 VanDerWaalsContact OG-OG 3.1Å; G27-S350 VanDerWaalsContact CA-OG 3.23Å; G27-S350 WeakPolarHBondContact CA-OG 3.44Å; G27-S350 PolarHBondContact N-OG 3.24Å; G27-S350 VanDerWaalsContact N-OG 3.09Å; S346-S350 WeakPolarHBondContact O-CB 3.05Å; S346-S350 PolarHBondContact O-N 3.25Å; S346-S350 PolarHBondContact O-OG 3.08Å; I347-S350 WeakPolarHBondContact O-CB 3.29Å; I347-S350 PolarHBondContact O-N 2.9Å; I347-S350 VanDerWaalsContact O-N 3.14Å; V348-S350 PolarHBondContact O-N 2.78Å
351L92.9Very high95.1Very high87 Ų8743.1 Ų43.146%0.45524%0.243SC..SBendtrans-75.9134.6-179.1-59.1176.7000110.8I347 V348 T349 S353 F354I347-L351 PolarHBondContact O-N 3.16Å; V348-L351 WeakPolarHBondContact O-CB 3.25Å; V348-L351 PolarHBondContact O-N 3.26Å; V348-L351 VanDerWaalsContact O-N 3.1Å; T349-L351 VanDerWaalsContact C-N 3.31Å; L351-S353 PolarHBondContact O-N 2.78Å; L351-F354 HydrophobicContact CB-CB 4.36Å; L351-F354 VanDerWaalsContact O-CB 3.31Å; L351-F354 WeakPolarHBondContact O-CB 3.37Å; L351-F354 PolarHBondContact O-N 3.17Å
352S90.1Very high95Very high103 Ų10345.5 Ų45.572%0.7226%0.263SS*.G310 helixtrans-60.6-31.1176.157.90000113F354 K355S352-F354 VanDerWaalsContact C-N 3.27Å; S352-F354 PolarHBondContact O-N 3.47Å; S352-K355 PolarHBondContact O-N 3Å
353S91Very high94.9Very high76 Ų7646.5 Ų46.553%0.53127%0.269SS..G310 helixtrans-66.1-27.6175.749.20000112.8L351 K355 Q356L351-S353 PolarHBondContact O-N 2.78Å; S353-K355 PolarHBondContact O-N 2.92Å; S353-Q356 PolarHBondContact O-N 2.82Å
354F92.5Very high94.8Very high18 Ų1846 Ų468%0.07927%0.265CS..G310 helixtrans-69.5-19.4-178.6-164.4-94.8000112.9L108 Y137 V348 T349 L351 S352 Q356 M357 W358L108-F354 HydrophobicContact CD1-CE1 4.43Å; L108-F354 HydrophobicContact CD1-CZ 3.91Å; Y137-F354 HydrophobicContact CD1-CE2 4.22Å; Y137-F354 AromaticContact CD1-CZ 3.55Å; Y137-F354 HydrophobicContact CD1-CZ 3.55Å; Y137-F354 HydrophobicContact CD2-CZ 4.26Å; Y137-F354 HydrophobicContact CE1-CE2 4.16Å; Y137-F354 AromaticContact CE1-CZ 3.96Å; Y137-F354 HydrophobicContact CE1-CZ 3.96Å; Y137-F354 HydrophobicContact CG-CE1 4.35Å; Y137-F354 AromaticContact CG-CZ 3.71Å; Y137-F354 HydrophobicContact CG-CZ 3.71Å; V348-F354 HydrophobicContact CB-CD2 4.15Å; V348-F354 HydrophobicContact CB-CE2 4.32Å; V348-F354 HydrophobicContact CG2-CD2 4.34Å; V348-F354 HydrophobicContact CG2-CE2 4.05Å; V348-F354 WeakPolarHBondContact O-CB 3.44Å; V348-F354 WeakPolarHBondContact O-CG 3.16Å; T349-F354 HydrophobicContact CG2-CD1 4.2Å; T349-F354 HydrophobicContact CG2-CE1 3.82Å; T349-F354 HydrophobicContact CG2-CZ 4.27Å; L351-F354 HydrophobicContact CB-CB 4.36Å; L351-F354 VanDerWaalsContact O-CB 3.31Å; L351-F354 WeakPolarHBondContact O-CB 3.37Å; L351-F354 PolarHBondContact O-N 3.17Å; S352-F354 VanDerWaalsContact C-N 3.27Å; S352-F354 PolarHBondContact O-N 3.47Å; F354-Q356 PolarHBondContact O-N 3.35Å; F354-M357 HydrophobicContact CD2-CB 4.18Å; F354-M357 HydrophobicContact CD2-CG 4.1Å; F354-M357 HydrophobicContact CE2-CB 4.16Å; F354-M357 HydrophobicContact CE2-CG 4.4Å; F354-M357 HydrophobicContact CG-CB 4.43Å; F354-M357 HydrophobicContact CZ-CB 4.38Å; F354-M357 WeakPolarHBondContact O-CB 3.13Å; F354-M357 PolarHBondContact O-N 3.43Å; F354-W358 HydrophobicContact CD1-CD2 4.5Å; F354-W358 AromaticContact CD1-CE2 3.82Å; F354-W358 AromaticContact CD1-CZ2 3.87Å; F354-W358 HydrophobicContact CD1-CZ2 3.87Å; F354-W358 AromaticContact CD1-NE1 3.92Å; F354-W358 HydrophobicContact CE1-CD2 4.13Å; F354-W358 AromaticContact CE1-CE2 3.72Å; F354-W358 HydrophobicContact CE1-CE3 4.36Å; F354-W358 AromaticContact CE1-CH2 3.86Å; F354-W358 HydrophobicContact CE1-CH2 3.86Å; F354-W358 AromaticContact CE1-CZ2 3.6Å; F354-W358 HydrophobicContact CE1-CZ2 3.6Å; F354-W358 HydrophobicContact CE1-CZ3 4.22Å
355K90.4Very high94.8Very high95 Ų9555 Ų5541%0.41330%0.304SS..G310 helixtrans-55.4-28.2177.5-69.1-170176.3-172.40113.4D8 S352 S353D8-K355 IonicContact OD1-NZ 3.51Å; D8-K355 PolarHBondContact OD1-NZ 3.12Å; S352-K355 PolarHBondContact O-N 3Å; S353-K355 PolarHBondContact O-N 2.92Å
356Q90.9Very high94.7Very high169 Ų16961.9 Ų61.979%0.7934%0.336SS*.G310 helixtrans-82.9-13.6179.3-60.4-1808.200113.4S353 F354S353-Q356 PolarHBondContact O-N 2.82Å; F354-Q356 PolarHBondContact O-N 3.35Å
357M93.6Very high94.6Very high76 Ų7665.7 Ų65.737%0.37435%0.352SS..THydrogen-bonded Turntrans-84-23.9-176.9-59.6-58.4-6700112.6Y137 F354 V359Y137-M357 HydrophobicContact CD2-CB 4.19Å; Y137-M357 VanDerWaalsContact CD2-O 3.25Å; Y137-M357 WeakPolarHBondContact CD2-O 3.39Å; Y137-M357 HydrophobicContact CE2-CB 3.86Å; Y137-M357 HydrophobicContact CE2-CE 4.26Å; Y137-M357 WeakPolarHBondContact CE2-O 3.41Å; F354-M357 HydrophobicContact CD2-CB 4.18Å; F354-M357 HydrophobicContact CD2-CG 4.1Å; F354-M357 HydrophobicContact CE2-CB 4.16Å; F354-M357 HydrophobicContact CE2-CG 4.4Å; F354-M357 HydrophobicContact CG-CB 4.43Å; F354-M357 HydrophobicContact CZ-CB 4.38Å; F354-M357 WeakPolarHBondContact O-CB 3.13Å; F354-M357 PolarHBondContact O-N 3.43Å; M357-V359 PolarHBondContact O-N 3.05Å
358W96Very high94.7Very high10 Ų1063.6 Ų63.64%0.03835%0.35CS..PPolyproline II helixtrans-54.1134.4-179.4-70.2118.6000112.5L7 A11 P106 L107 L108 A135 Y137 T349 F354 R375L7-W358 HydrophobicContact CD2-CB 4.48Å; L7-W358 HydrophobicContact CD2-CG 4.14Å; A11-W358 HydrophobicContact CB-CH2 3.8Å; A11-W358 HydrophobicContact CB-CZ2 3.79Å; P106-W358 HydrophobicContact CB-CD2 4.32Å; P106-W358 HydrophobicContact CB-CE3 4.34Å; P106-W358 HydrophobicContact CB-CH2 4.01Å; P106-W358 HydrophobicContact CB-CZ2 3.94Å; P106-W358 HydrophobicContact CB-CZ3 4.21Å; P106-W358 HydrophobicContact CG-CZ2 4.26Å; L107-W358 WeakPolarHBondContact O-CZ3 3.17Å; L108-W358 HydrophobicContact CB-CH2 4.1Å; L108-W358 HydrophobicContact CB-CZ3 4.39Å; A135-W358 HydrophobicContact CB-CB 3.96Å; A135-W358 HydrophobicContact CB-CD2 4.23Å; A135-W358 HydrophobicContact CB-CE3 4.2Å; A135-W358 HydrophobicContact CB-CG 4.14Å; Y137-W358 VanDerWaalsContact CB-CZ3 3.5Å; T349-W358 HydrophobicContact CG2-CH2 4.12Å; T349-W358 HydrophobicContact CG2-CZ2 4.2Å; F354-W358 HydrophobicContact CD1-CD2 4.5Å; F354-W358 AromaticContact CD1-CE2 3.82Å; F354-W358 AromaticContact CD1-CZ2 3.87Å; F354-W358 HydrophobicContact CD1-CZ2 3.87Å; F354-W358 AromaticContact CD1-NE1 3.92Å; F354-W358 HydrophobicContact CE1-CD2 4.13Å; F354-W358 AromaticContact CE1-CE2 3.72Å; F354-W358 HydrophobicContact CE1-CE3 4.36Å; F354-W358 AromaticContact CE1-CH2 3.86Å; F354-W358 HydrophobicContact CE1-CH2 3.86Å; F354-W358 AromaticContact CE1-CZ2 3.6Å; F354-W358 HydrophobicContact CE1-CZ2 3.6Å; F354-W358 HydrophobicContact CE1-CZ3 4.22Å; W358-R375 PolarHBondContact O-NH1 3.32Å
359V97.3Very high94.6Very high0 Ų064.5 Ų64.50%036%0.356CS..EExtended strand (participates in β ladder)trans-82.1118.5159.1178.50000106.4F128 A135 F136 M357 D363 V371 V372 R375F128-V359 HydrophobicContact CE2-CG1 3.95Å; F128-V359 HydrophobicContact CZ-CB 4.35Å; F128-V359 HydrophobicContact CZ-CG1 3.9Å; F128-V359 WeakPolarHBondContact CZ-O 3.42Å; A135-V359 CarbonylContact C-O 3.52Å; A135-V359 WeakPolarHBondContact CA-O 3.43Å; A135-V359 WeakPolarHBondContact CB-O 3.04Å; F136-V359 PolarHBondContact N-O 3.24Å; F136-V359 WeakPolarHBondContact O-CB 3.34Å; F136-V359 PolarHBondContact O-N 2.97Å; M357-V359 PolarHBondContact O-N 3.05Å; V359-D363 HydrophobicContact CG1-CB 4.11Å; V359-V371 HydrophobicContact CG1-CB 4.39Å; V359-V371 HydrophobicContact CG1-CG1 3.39Å; V359-V371 HydrophobicContact CG1-CG2 4.08Å; V359-V371 HydrophobicContact CG2-CG1 4.44Å; V359-V372 HydrophobicContact CG2-CG1 4.41Å; V359-R375 HydrophobicContact CG2-CB 3.89Å
360T96.8Very high94.6Very high22 Ų2265.6 Ų65.614%0.13537%0.365CS..EExtended strand (participates in β ladder)trans-87.2161177.767.20000111.2F2 A362 D363 F364F2-T360 HydrophobicContact CE2-CG2 4.05Å; F2-T360 HydrophobicContact CZ-CG2 3.94Å; T360-A362 PolarHBondContact O-N 2.95Å; T360-A362 VanDerWaalsContact O-N 3.13Å; T360-A362 PolarHBondContact OG1-N 3.08Å; T360-D363 WeakPolarHBondContact CB-OD2 3.45Å; T360-D363 PolarHBondContact N-OD2 3.1Å; T360-D363 WeakPolarHBondContact O-CB 3.11Å; T360-D363 PolarHBondContact O-N 2.89Å; T360-D363 VanDerWaalsContact OG1-CG 3.27Å; T360-D363 PolarHBondContact OG1-N 3.17Å; T360-D363 VanDerWaalsContact OG1-N 3.13Å; T360-D363 PolarHBondContact OG1-OD2 3.46Å; T360-F364 PolarHBondContact O-N 2.69Å
361A96Very high94.6Very high39 Ų3962.8 Ų62.832%0.32235%0.345SS..Hα-helixtrans-57.6-25.9170.900000112.7F128 P134 K365F128-A361 HydrophobicContact CD1-CB 4.04Å; F128-A361 HydrophobicContact CE1-CB 4.06Å; P134-A361 PolarHBondContact O-N 3.27Å; A361-K365 WeakPolarHBondContact O-CB 3.24Å; A361-K365 PolarHBondContact O-N 3.14Å; A361-K365 VanDerWaalsContact O-N 3.08Å
362A95.2Very high94.8Very high56 Ų5658.7 Ų58.746%0.46332%0.323SS..Hα-helixtrans-71.1-46173.200000111.6T360 F364 K365 E366T360-A362 PolarHBondContact O-N 2.95Å; T360-A362 VanDerWaalsContact O-N 3.13Å; T360-A362 PolarHBondContact OG1-N 3.08Å; A362-F364 VanDerWaalsContact C-N 3.31Å; A362-F364 PolarHBondContact O-N 3Å; A362-K365 PolarHBondContact O-N 2.88Å; A362-E366 PolarHBondContact O-N 3.17Å; A362-E366 VanDerWaalsContact O-N 3.08Å
363D95.9Very high94.9Very high21 Ų2155.7 Ų55.711%0.11230%0.298CS..Hα-helixtrans-59-44175-60.3-68.8000110.8V359 T360 K365 E366 F367 V371 R375V359-D363 HydrophobicContact CG1-CB 4.11Å; T360-D363 WeakPolarHBondContact CB-OD2 3.45Å; T360-D363 PolarHBondContact N-OD2 3.1Å; T360-D363 WeakPolarHBondContact O-CB 3.11Å; T360-D363 PolarHBondContact O-N 2.89Å; T360-D363 VanDerWaalsContact OG1-CG 3.27Å; T360-D363 PolarHBondContact OG1-N 3.17Å; T360-D363 VanDerWaalsContact OG1-N 3.13Å; T360-D363 PolarHBondContact OG1-OD2 3.46Å; D363-K365 PolarHBondContact O-N 2.8Å; D363-E366 PolarHBondContact O-N 2.76Å; D363-F367 HydrophobicContact CB-CD2 4.5Å; D363-F367 VanDerWaalsContact O-CD2 3.29Å; D363-F367 WeakPolarHBondContact O-CD2 3.43Å; D363-F367 PolarHBondContact O-N 2.71Å; D363-V371 HydrophobicContact CB-CG2 4.18Å; D363-R375 IonicContact OD1-CZ 3.58Å; D363-R375 IonicContact OD1-NH1 3.34Å; D363-R375 PolarHBondContact OD1-NH1 3.39Å; D363-R375 VanDerWaalsContact OD1-NH1 3.15Å; D363-R375 IonicContact OD1-NH2 3.86Å; D363-R375 PolarHBondContact OD1-NH2 3.39Å; D363-R375 IonicContact OD2-CZ 2.96Å; D363-R375 IonicContact OD2-NH1 3.77Å; D363-R375 PolarHBondContact OD2-NH1 3.28Å; D363-R375 IonicContact OD2-NH2 2.77Å
364F97.2Very high94.9Very high24 Ų2459.9 Ų59.911%0.10530%0.302CS..Hα-helixtrans-62.7-41.4177.5179.7-96.7000112.3A124 F128 E129 T360 A362 E366 G368A124-F364 HydrophobicContact CB-CE2 4.4Å; F128-F364 HydrophobicContact CB-CD1 3.67Å; F128-F364 HydrophobicContact CB-CD2 4.36Å; F128-F364 HydrophobicContact CB-CE1 3.78Å; F128-F364 HydrophobicContact CB-CE2 4.42Å; F128-F364 HydrophobicContact CB-CG 3.98Å; F128-F364 HydrophobicContact CB-CZ 4.17Å; F128-F364 HydrophobicContact CD1-CB 4.36Å; F128-F364 HydrophobicContact CD2-CB 3.65Å; F128-F364 AromaticContact CD2-CD1 4Å; F128-F364 HydrophobicContact CD2-CD1 4Å; F128-F364 AromaticContact CD2-CD2 3.32Å; F128-F364 HydrophobicContact CD2-CD2 3.32Å; F128-F364 AromaticContact CD2-CE2 3.9Å; F128-F364 HydrophobicContact CD2-CE2 3.9Å; F128-F364 AromaticContact CD2-CG 3.37Å; F128-F364 HydrophobicContact CD2-CG 3.37Å; F128-F364 HydrophobicContact CD2-CZ 4.47Å; F128-F364 HydrophobicContact CE1-CB 4.44Å; F128-F364 HydrophobicContact CE2-CB 3.73Å; F128-F364 AromaticContact CE2-CD2 3.87Å; F128-F364 HydrophobicContact CE2-CD2 3.87Å; F128-F364 AromaticContact CE2-CG 3.94Å; F128-F364 HydrophobicContact CE2-CG 3.94Å; F128-F364 HydrophobicContact CG-CB 3.98Å; F128-F364 AromaticContact CG-CD1 3.91Å; F128-F364 HydrophobicContact CG-CD1 3.91Å; F128-F364 HydrophobicContact CG-CD2 4.09Å; F128-F364 HydrophobicContact CG-CE1 4.44Å; F128-F364 AromaticContact CG-CG 3.73Å; F128-F364 HydrophobicContact CG-CG 3.73Å; F128-F364 HydrophobicContact CZ-CB 4.13Å; E129-F364 HydrophobicContact CG-CE1 3.95Å; E129-F364 HydrophobicContact CG-CZ 4.18Å; T360-F364 PolarHBondContact O-N 2.69Å; A362-F364 VanDerWaalsContact C-N 3.31Å; A362-F364 PolarHBondContact O-N 3Å; F364-E366 VanDerWaalsContact C-N 3.27Å; F364-E366 PolarHBondContact O-N 2.92Å; F364-G368 WeakPolarHBondContact O-CA 3.47Å; F364-G368 PolarHBondContact O-N 3.17Å
365K96.9Very high94.8Very high189 Ų18963.2 Ų63.282%0.82231%0.314SS*.Hα-helixtrans-64.8-32.8177.2-173.6178.3179.1-177.80112.7A361 A362 D363A361-K365 WeakPolarHBondContact O-CB 3.24Å; A361-K365 PolarHBondContact O-N 3.14Å; A361-K365 VanDerWaalsContact O-N 3.08Å; A362-K365 PolarHBondContact O-N 2.88Å; D363-K365 PolarHBondContact O-N 2.8Å
366E96.7Very high94.8Very high143 Ų14358.8 Ų58.867%0.66830%0.295SS*.Hα-helixtrans-80.3-43.7-179.6-173.7175.5170.300112.5A362 D363 F364A362-E366 PolarHBondContact O-N 3.17Å; A362-E366 VanDerWaalsContact O-N 3.08Å; D363-E366 PolarHBondContact O-N 2.76Å; F364-E366 VanDerWaalsContact C-N 3.27Å; F364-E366 PolarHBondContact O-N 2.92Å
367F96.1Very high94.2Very high85 Ų8557.2 Ų57.237%0.37329%0.286SS..Hα-helixtrans-110.5-4.1-169.8-58.9-68.1000114.5D363 S370 V371D363-F367 HydrophobicContact CB-CD2 4.5Å; D363-F367 VanDerWaalsContact O-CD2 3.29Å; D363-F367 WeakPolarHBondContact O-CD2 3.43Å; D363-F367 PolarHBondContact O-N 2.71Å; F367-S370 PolarHBondContact O-OG 3.21Å; F367-V371 HydrophobicContact CB-CB 3.99Å; F367-V371 HydrophobicContact CB-CG2 4.23Å; F367-V371 HydrophobicContact CD2-CG2 4.33Å
368G96.3Very high94.3Very high31 Ų3156.3 Ų56.332%0.3228%0.281SS..  trans67-166.1-17400000113.1F364 S370 V371F364-G368 WeakPolarHBondContact O-CA 3.47Å; F364-G368 PolarHBondContact O-N 3.17Å; G368-S370 PolarHBondContact O-N 3.06Å; G368-V371 WeakPolarHBondContact O-CB 3.45Å; G368-V371 VanDerWaalsContact O-CG1 3.22Å; G368-V371 WeakPolarHBondContact O-CG1 3.46Å; G368-V371 PolarHBondContact O-N 3.23Å
369S94.7Very high94.2Very high31 Ų3158.7 Ų58.722%0.21729%0.294CS..G310 helixtrans-59.9-31.2-179.856.90000113.8V371 V372S369-V371 PolarHBondContact O-N 2.98Å; S369-V372 WeakPolarHBondContact O-CG2 3.22Å; S369-V372 PolarHBondContact O-N 2.8Å
370S95.3Very high94Very high39 Ų3962 Ų6227%0.27331%0.311SS..G310 helixtrans-59.8-15.2-179.175.70000114.5F367 G368 V372 Q373F367-S370 PolarHBondContact O-OG 3.21Å; G368-S370 PolarHBondContact O-N 3.06Å; S370-V372 PolarHBondContact O-N 3.38Å; S370-Q373 WeakPolarHBondContact O-CB 3.45Å; S370-Q373 PolarHBondContact O-N 3Å
371V95.8Very high93.9Very high5 Ų564.4 Ų64.43%0.0332%0.321CS..G310 helixtrans-56.5-34.4177.870.80000112.8V359 D363 F367 G368 S369 Q373 R374 R375V359-V371 HydrophobicContact CG1-CB 4.39Å; V359-V371 HydrophobicContact CG1-CG1 3.39Å; V359-V371 HydrophobicContact CG1-CG2 4.08Å; V359-V371 HydrophobicContact CG2-CG1 4.44Å; D363-V371 HydrophobicContact CB-CG2 4.18Å; F367-V371 HydrophobicContact CB-CB 3.99Å; F367-V371 HydrophobicContact CB-CG2 4.23Å; F367-V371 HydrophobicContact CD2-CG2 4.33Å; G368-V371 WeakPolarHBondContact O-CB 3.45Å; G368-V371 VanDerWaalsContact O-CG1 3.22Å; G368-V371 WeakPolarHBondContact O-CG1 3.46Å; G368-V371 PolarHBondContact O-N 3.23Å; S369-V371 PolarHBondContact O-N 2.98Å; V371-Q373 PolarHBondContact O-N 3.21Å; V371-R374 PolarHBondContact O-N 3.06Å; V371-R375 PolarHBondContact O-N 2.96Å
372V95.6Very high93.7Very high0 Ų065.9 Ų65.90%032%0.321CS..Hα-helixtrans-67.6-23.9179.8-57.40000112.1R120 A124 F136 V359 S369 S370 R374 C376R120-V372 HydrophobicContact CB-CG2 4.1Å; A124-V372 HydrophobicContact CB-CG1 3.56Å; A124-V372 HydrophobicContact CB-CG2 4.37Å; F136-V372 HydrophobicContact CD1-CG1 4.27Å; F136-V372 HydrophobicContact CE1-CG1 4.43Å; V359-V372 HydrophobicContact CG2-CG1 4.41Å; S369-V372 WeakPolarHBondContact O-CG2 3.22Å; S369-V372 PolarHBondContact O-N 2.8Å; S370-V372 PolarHBondContact O-N 3.38Å; V372-R374 PolarHBondContact O-N 3.32Å; V372-C376 WeakPolarHBondContact O-CB 3.47Å; V372-C376 PolarHBondContact O-N 3.32Å
373Q93.4Very high93.6Very high41 Ų4166.6 Ų66.619%0.19231%0.311CS..Hα-helixtrans-70.9-21.3174.5-54.9-59.8-18.900112.7R117 E121 S370 V371R117-Q373 PolarHBondContact O-NE2 3.42Å; R117-Q373 VanDerWaalsContact O-NE2 3.07Å; E121-Q373 HydrophobicContact CG-CG 4.5Å; S370-Q373 WeakPolarHBondContact O-CB 3.45Å; S370-Q373 PolarHBondContact O-N 3Å; V371-Q373 PolarHBondContact O-N 3.21Å
374R89.8Confident93.5Very high164 Ų16469.9 Ų69.962%0.61933%0.326SS*.Hα-helixtrans-101.4-19.8-175.7-59.9-177.7-174.61742.9113.3V371 V372 F377V371-R374 PolarHBondContact O-N 3.06Å; V372-R374 PolarHBondContact O-N 3.32Å; R374-F377 WeakPolarHBondContact O-CE2 3.5Å; R374-F377 WeakPolarHBondContact O-CZ 3.34Å
375R91Very high93.2Very high88 Ų8873.4 Ų73.433%0.33234%0.342SS..Hα-helixtrans-117.3-26.3-175.4-75.4-157.8174165.914.6114.4Y137 W358 V359 D363 V371Y137-R375 WeakPolarHBondContact CE2-O 3.47Å; W358-R375 PolarHBondContact O-NH1 3.32Å; V359-R375 HydrophobicContact CG2-CB 3.89Å; D363-R375 IonicContact OD1-CZ 3.58Å; D363-R375 IonicContact OD1-NH1 3.34Å; D363-R375 PolarHBondContact OD1-NH1 3.39Å; D363-R375 VanDerWaalsContact OD1-NH1 3.15Å; D363-R375 IonicContact OD1-NH2 3.86Å; D363-R375 PolarHBondContact OD1-NH2 3.39Å; D363-R375 IonicContact OD2-CZ 2.96Å; D363-R375 IonicContact OD2-NH1 3.77Å; D363-R375 PolarHBondContact OD2-NH1 3.28Å; D363-R375 IonicContact OD2-NH2 2.77Å; V371-R375 PolarHBondContact O-N 2.96Å
376C91.4Very high92.9Very high1 Ų163.8 Ų63.81%0.00730%0.303CS..  trans-99.8117.6176.8-54.80000108R120 Y137 L138 V372R120-C376 PolarHBondContact NH2-O 2.95Å; Y137-C376 HydrophobicContact CE2-CB 4.39Å; L138-C376 HydrophobicContact CB-CB 4.13Å; L138-C376 PolarHBondContact N-SG 3.45Å; L138-C376 VanDerWaalsContact N-SG 3.43Å; L138-C376 VanDerWaalsContact O-CB 3.25Å; L138-C376 WeakPolarHBondContact O-CB 3.26Å; V372-C376 WeakPolarHBondContact O-CB 3.47Å; V372-C376 PolarHBondContact O-N 3.32Å
377F78.3Confident92.5Very high137 Ų13756.5 Ų56.560%0.60127%0.269SS*.  trans-1230-176.5-65.7-72.5000111.8R374R374-F377 WeakPolarHBondContact O-CE2 3.5Å; R374-F377 WeakPolarHBondContact O-CZ 3.34Å

Retrieved 377 of 377 residues in 182.3 ms (Link to these results)

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