A0A087XW09_POEFO Loading...

Major vault protein

Required for normal vault structure. Vaults are multi-subunit structures that may act as scaffolds for proteins involved in signal transduction. Vaults may also play a role in nucleo-cytoplasmic transport.

AlphaFold DB , UniProt , Accession A0A087XW09, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 881 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
1F31.6Very low30.3Very low265 Ų265156.4 Ų156.4100%1.16285%0.85SS**  098.50-97.4-99.7000109.2
2M27.7Very low30.5Very low202 Ų202159.3 Ų159.3100%0.99585%0.853SS**  trans-161.676.1147.3-99.4-170.6-17700104.2
3S28.7Very low30.7Very low110 Ų110158.6 Ų158.677%0.76985%0.845SS**  trans-100.3124.2171-175.10000106.8K5S3-K5 PolarHBondContact O-N 2.99Å
4R33Very low31.3Very low247 Ų247160.9 Ų160.993%0.93285%0.848SS**  trans-54.1124.7169.9-71.7174.6172.7174-3.2108.7
5K28.7Very low32.2Very low201 Ų201159 Ų15987%0.87484%0.835SS**  trans-122.8115.7158-91.1-171.5174.7-177.70109.2S3S3-K5 PolarHBondContact O-N 2.99Å
6A32Very low32.9Very low104 Ų104161.3 Ų161.386%0.8684%0.84SS**  trans-58.4127.3162.800000109.4
7G28.1Very low34.3Very low67 Ų67154.5 Ų154.569%0.69181%0.807SS**  trans-107.889.1170.100000109.1H9G7-H9 PolarHBondContact O-N 2.86Å
8N28.6Very low35.4Very low157 Ų157153.1 Ų153.184%0.8480%0.8SS**  trans-53.7113.1173.6-149.819.2000109.8G10N8-G10 PolarHBondContact O-N 3.2Å
9H30.9Very low36.8Very low189 Ų189148.1 Ų148.188%0.87578%0.78SS**  trans-76.294.5160.9-78.543.8000106.9G7G7-H9 PolarHBondContact O-N 2.86Å
10G30.1Very low38.6Very low51 Ų51144.6 Ų144.653%0.52677%0.768SS.*  trans-73.4145.616500000109.6N8 E12N8-G10 PolarHBondContact O-N 3.2Å; G10-E12 PolarHBondContact O-N 3.39Å
11P34.3Very low40.7Very low127 Ų127142.5 Ų142.583%0.82576%0.756SS**  trans-70.3127.8-175.429.4-32000109.9M13P11-M13 PolarHBondContact O-N 2.69Å
12E32.2Very low43.2Very low191 Ų191130.7 Ų130.789%0.89371%0.705SS**  trans-64.1100.6162.9-78.8-179.2158.700107.8G10 E14G10-E12 PolarHBondContact O-N 3.39Å; E12-E14 PolarHBondContact O-N 2.99Å; E12-E14 VanDerWaalsContact O-N 3.14Å
13M34Very low46Very low151 Ų151128.6 Ų128.674%0.74469%0.686SS**  trans-76.194.8170.6-157.3169.498.400106.7P11 M15P11-M13 PolarHBondContact O-N 2.69Å; M13-M15 VanDerWaalsContact C-N 3.3Å; M13-M15 HydrophobicContact CE-CG 3.83Å; M13-M15 HydrophobicContact CE-SD 3.89Å; M13-M15 PolarHBondContact O-N 3.46Å
14E38.4Very low48.8Very low190 Ų190123.4 Ų123.489%0.88865%0.649SS**  trans-59.193.2167.9-80.5-174.5154.500108.9E12 Q16E12-E14 PolarHBondContact O-N 2.99Å; E12-E14 VanDerWaalsContact O-N 3.14Å; E14-Q16 PolarHBondContact O-N 2.75Å
15M44.1Very low51.5Low133 Ų133113.9 Ų113.966%0.65562%0.62SS**  trans-79.9116.2169-73.3-17561.400108.3M13 V17M13-M15 VanDerWaalsContact C-N 3.3Å; M13-M15 HydrophobicContact CE-CG 3.83Å; M13-M15 HydrophobicContact CE-SD 3.89Å; M13-M15 PolarHBondContact O-N 3.46Å; M15-V17 WeakPolarHBondContact O-CG2 3.44Å; M15-V17 PolarHBondContact O-N 2.99Å; M15-V17 VanDerWaalsContact O-N 3.11Å
16Q44.7Very low54.3Low195 Ų195108 Ų10891%0.91160%0.602SS**  trans-51.7112.8177.9-80.5176.4-39.600111.9E14 D18E14-Q16 PolarHBondContact O-N 2.75Å; Q16-D18 VanDerWaalsContact C-N 3.28Å; Q16-D18 PolarHBondContact O-N 2.78Å
17V56.3Low56.9Low47 Ų47108.5 Ų108.529%0.28559%0.587SS.*  trans-91.654.6178.3-162.80000110.5M15 R51 V57M15-V17 WeakPolarHBondContact O-CG2 3.44Å; M15-V17 PolarHBondContact O-N 2.99Å; M15-V17 VanDerWaalsContact O-N 3.11Å; V17-R51 PolarHBondContact O-NH1 3.32Å; V17-V57 HydrophobicContact CG1-CB 3.95Å; V17-V57 HydrophobicContact CG1-CG1 4.12Å
18D54Low60Low128 Ų128107.1 Ų107.168%0.68456%0.562SS**  trans-11635.8-179.9-112.3-16.4000113.2Q16 R51Q16-D18 VanDerWaalsContact C-N 3.28Å; Q16-D18 PolarHBondContact O-N 2.78Å; D18-R51 IonicContact OD1-CZ 3.07Å; D18-R51 IonicContact OD1-NH1 3.28Å; D18-R51 PolarHBondContact OD1-NH1 2.85Å; D18-R51 IonicContact OD1-NH2 3.72Å; D18-R51 PolarHBondContact OD1-NH2 3.33Å
19S62.9Low63Low58 Ų58100.3 Ų100.341%0.40652%0.524SS..  trans-90.5126.3170.461.40000110.7I21 I22S19-I21 PolarHBondContact O-N 3.1Å; S19-I22 WeakPolarHBondContact OG-CG1 3.48Å
20S71.8Confident65.9Low79 Ų7991.3 Ų91.355%0.55248%0.483SS*.SBendtrans-65.6-20.9178.4460000114.3R51S20-R51 PolarHBondContact O-N 3.43Å; S20-R51 VanDerWaalsContact O-N 3.11Å
21I81.8Confident68.7Low101 Ų10189.6 Ų89.652%0.51846%0.461SS..EExtended strand (participates in β ladder)trans-127.3124.9179.3-55.5175.2000109.4S19 T48S19-I21 PolarHBondContact O-N 3.1Å; I21-T48 HydrophobicContact CG2-CG2 3.41Å; I21-T48 VanDerWaalsContact CG2-CG2 3.41Å
22I84.7Confident71.3Confident16 Ų1683.5 Ų83.58%0.08242%0.422CS..EExtended strand (participates in β ladder)trans-123.1117.8-179.5-63.9163.4000109.1S19 I24 I30 Y49 V57 P61S19-I22 WeakPolarHBondContact OG-CG1 3.48Å; I22-I24 HydrophobicContact CG2-CG1 4.37Å; I22-I30 HydrophobicContact CG2-CD1 4.29Å; I22-Y49 PolarHBondContact N-O 3.38Å; I22-Y49 PolarHBondContact O-N 3.07Å; I22-V57 HydrophobicContact CD1-CB 3.91Å; I22-V57 HydrophobicContact CD1-CG1 4.04Å; I22-V57 HydrophobicContact CD1-CG2 3.42Å; I22-V57 VanDerWaalsContact CD1-CG2 3.42Å; I22-P61 HydrophobicContact CG2-CG 3.93Å
23R86.8Confident73.9Confident159 Ų15975.4 Ų75.460%0.638%0.384SS*.EExtended strand (participates in β ladder)trans-86113.8174.3-175.466.9175.2174.61.9109.4P25 T48R23-P25 WeakPolarHBondContact O-CD 3.39Å; R23-T48 WeakPolarHBondContact CD-OG1 3.37Å; R23-T48 PolarHBondContact NH1-OG1 3.44Å
24I87.9Confident76.5Confident0 Ų069.2 Ų69.20%035%0.354CS..EExtended strand (participates in β ladder)trans-92.8112.8175.4-47.8170.2000108.1I22 H28 I30 E43 P46 L47 P61I22-I24 HydrophobicContact CG2-CG1 4.37Å; I24-H28 HydrophobicContact CG2-CB 4.12Å; I24-H28 VanDerWaalsContact CG2-O 3.32Å; I24-H28 WeakPolarHBondContact CG2-O 3.24Å; I24-I30 HydrophobicContact CD1-CD1 3.62Å; I24-I30 HydrophobicContact CD1-CG1 3.67Å; I24-I30 HydrophobicContact CG1-CD1 4.07Å; I24-I30 HydrophobicContact CG1-CG1 4.3Å; I24-I30 HydrophobicContact CG1-CG2 4.48Å; I24-E43 HydrophobicContact CD1-CB 4Å; I24-P46 WeakPolarHBondContact O-CA 3.27Å; I24-L47 WeakPolarHBondContact CB-O 3.35Å; I24-L47 HydrophobicContact CD1-CB 4.46Å; I24-L47 PolarHBondContact N-O 2.78Å; I24-L47 PolarHBondContact O-N 3.47Å; I24-L47 VanDerWaalsContact O-N 3.16Å; I24-P61 HydrophobicContact CG1-CG 4.48Å; I24-P61 HydrophobicContact CG2-CB 4.4Å
25P88.6Confident78.7Confident48 Ų4865.5 Ų65.531%0.31234%0.337SS..  trans-68.1165.3177.2-18.332.1000112.8R23 H28 G45R23-P25 WeakPolarHBondContact O-CD 3.39Å; P25-H28 PolarHBondContact O-N 2.98Å; P25-G45 WeakPolarHBondContact O-CA 3.42Å
26P88.2Confident80.6Confident77 Ų7764.4 Ų64.450%0.534%0.338SS..THydrogen-bonded Turntrans-52.7143.2169-21.730.6000112H28 P46P26-H28 PolarHBondContact O-N 3.1Å; P26-H28 VanDerWaalsContact O-N 3.16Å; P26-H28 PolarHBondContact O-ND1 3.27Å; P26-P46 HydrophobicContact CG-CB 4.08Å
27H87.6Confident82.3Confident115 Ų11558.9 Ų58.953%0.53232%0.317SS..THydrogen-bonded Turntrans55.525.9-177.5-51.4-64.2000114.8M64H27-M64 HydrophobicContact CB-SD 4.36Å; H27-M64 WeakPolarHBondContact O-CB 3.34Å; H27-M64 WeakPolarHBondContact O-CG 3.21Å; H27-M64 PolarHBondContact O-N 3.39Å
28H91.6Very high83.5Confident37 Ų3762.3 Ų62.317%0.17133%0.334CS..EExtended strand (participates in β ladder)trans-119.4156.8168-64.662.8000109.5I24 P25 P26 G45 P61 V62 R63I24-H28 HydrophobicContact CG2-CB 4.12Å; I24-H28 VanDerWaalsContact CG2-O 3.32Å; I24-H28 WeakPolarHBondContact CG2-O 3.24Å; P25-H28 PolarHBondContact O-N 2.98Å; P26-H28 PolarHBondContact O-N 3.1Å; P26-H28 VanDerWaalsContact O-N 3.16Å; P26-H28 PolarHBondContact O-ND1 3.27Å; H28-G45 PolarHBondContact O-N 2.96Å; H28-P61 HydrophobicContact CB-CB 4.06Å; H28-V62 CarbonylContact C-O 3.55Å; H28-V62 WeakPolarHBondContact CA-O 3.44Å; H28-V62 WeakPolarHBondContact CB-O 3.19Å; H28-R63 WeakPolarHBondContact NE2-CG 3.42Å
29Y92.6Very high85Confident14 Ų1457.2 Ų57.26%0.05531%0.307CS..EExtended strand (participates in β ladder)trans-141.1158.2176.870.9-80.8000111H31 V42 E43 F59 V62 M64 P112 L113Y29-H31 AromaticContact CD2-CD2 3.99Å; Y29-H31 AromaticContact CD2-NE2 3.88Å; Y29-H31 AromaticContact CE2-NE2 3.56Å; Y29-V42 HydrophobicContact CD2-CG2 3.71Å; Y29-V42 HydrophobicContact CG-CG2 4.16Å; Y29-E43 WeakPolarHBondContact CA-O 3.43Å; Y29-E43 WeakPolarHBondContact CB-O 3.41Å; Y29-F59 HydrophobicContact CD2-CE2 4.23Å; Y29-F59 HydrophobicContact CD2-CZ 4.25Å; Y29-F59 AromaticContact CE2-CE2 3.99Å; Y29-F59 HydrophobicContact CE2-CE2 3.99Å; Y29-F59 AromaticContact CE2-CZ 3.77Å; Y29-F59 HydrophobicContact CE2-CZ 3.77Å; Y29-V62 WeakPolarHBondContact CD1-O 3.23Å; Y29-V62 HydrophobicContact CE1-CB 4.35Å; Y29-V62 HydrophobicContact CE1-CG1 4.35Å; Y29-V62 PolarHBondContact N-O 3.01Å; Y29-V62 PolarHBondContact O-N 3.36Å; Y29-M64 HydrophobicContact CD1-CG 3.95Å; Y29-P112 HydrophobicContact CD1-CB 3.52Å; Y29-P112 HydrophobicContact CD2-CB 3.85Å; Y29-P112 HydrophobicContact CE1-CB 4.03Å; Y29-P112 HydrophobicContact CE2-CB 4.31Å; Y29-P112 HydrophobicContact CG-CB 3.42Å; Y29-P112 VanDerWaalsContact CG-CB 3.42Å; Y29-L113 HydrophobicContact CE2-CB 4.44Å; Y29-L113 WeakPolarHBondContact CE2-O 3.18Å; Y29-L113 WeakPolarHBondContact OH-CB 3.39Å
30I90.6Very high86.1Confident0 Ų055.1 Ų55.10%029%0.293CS..EExtended strand (participates in β ladder)trans-128160.4169.661.4177.5000109.3I22 I24 V32 V42 E43 Y49 V57 P61I22-I30 HydrophobicContact CG2-CD1 4.29Å; I24-I30 HydrophobicContact CD1-CD1 3.62Å; I24-I30 HydrophobicContact CD1-CG1 3.67Å; I24-I30 HydrophobicContact CG1-CD1 4.07Å; I24-I30 HydrophobicContact CG1-CG1 4.3Å; I24-I30 HydrophobicContact CG1-CG2 4.48Å; I30-V32 HydrophobicContact CD1-CG2 3.88Å; I30-V32 HydrophobicContact CG1-CG2 4.07Å; I30-V42 WeakPolarHBondContact O-CA 3.35Å; I30-E43 HydrophobicContact CD1-CB 4.46Å; I30-E43 HydrophobicContact CG1-CB 3.88Å; I30-E43 PolarHBondContact N-O 3.07Å; I30-E43 PolarHBondContact O-N 3.19Å; I30-Y49 HydrophobicContact CD1-CD1 4.3Å; I30-Y49 HydrophobicContact CD1-CG 4.32Å; I30-V57 HydrophobicContact CB-CG1 4.12Å; I30-V57 HydrophobicContact CD1-CG1 4.01Å; I30-V57 HydrophobicContact CD1-CG2 4.28Å; I30-V57 HydrophobicContact CG2-CG1 4.47Å; I30-P61 VanDerWaalsContact CG2-CA 3.47Å; I30-P61 HydrophobicContact CG2-CB 4.04Å; I30-P61 HydrophobicContact CG2-CG 3.71Å
31H90.4Very high86.8Confident15 Ų1555 Ų557%0.06928%0.281CS..EExtended strand (participates in β ladder)trans-103.7131.8164.8-66.3169.7000110.2Y29 R41 V57 L58 F59 L113 P115Y29-H31 AromaticContact CD2-CD2 3.99Å; Y29-H31 AromaticContact CD2-NE2 3.88Å; Y29-H31 AromaticContact CE2-NE2 3.56Å; H31-R41 CarbonylContact C-O 3.54Å; H31-R41 VanDerWaalsContact CA-O 3.3Å; H31-R41 WeakPolarHBondContact CA-O 3.45Å; H31-V57 WeakPolarHBondContact O-CA 3.45Å; H31-L58 HydrophobicContact CB-CB 4.15Å; H31-L58 HydrophobicContact CB-CD1 3.81Å; H31-L58 HydrophobicContact CB-CG 4.18Å; H31-L58 PolarHBondContact O-N 3.46Å; H31-F59 HydrophobicContact CB-CE1 3.76Å; H31-F59 HydrophobicContact CB-CZ 3.88Å; H31-F59 AromaticContact CD2-CZ 3.66Å; H31-F59 AromaticContact CE1-CE1 3.85Å; H31-F59 AromaticContact CE1-CZ 3.71Å; H31-F59 AromaticContact CG-CE1 3.49Å; H31-F59 VanDerWaalsContact CG-CE1 3.49Å; H31-F59 AromaticContact CG-CZ 3.38Å; H31-F59 AromaticContact ND1-CE1 3.25Å; H31-F59 VanDerWaalsContact ND1-CE1 3.25Å; H31-F59 WeakPolarHBondContact ND1-CE1 3.27Å; H31-F59 AromaticContact ND1-CZ 3.46Å; H31-F59 WeakPolarHBondContact ND1-CZ 3.49Å; H31-F59 AromaticContact NE2-CZ 3.84Å; H31-L113 PolarHBondContact CE1-O 2.87Å; H31-L113 PolarHBondContact NE2-O 2.87Å; H31-P115 HydrophobicContact CB-CG 4.46Å; H31-P115 VanDerWaalsContact CE1-CA 3.44Å; H31-P115 WeakPolarHBondContact CE1-CA 3.35Å; H31-P115 VanDerWaalsContact CE1-N 3.35Å
32V88.2Confident87.2Confident0 Ų051.3 Ų51.30%026%0.262CS..EExtended strand (participates in β ladder)trans-115.8123177-171.80000108.7I30 A40 R41 E43 Y49 E55 V57I30-V32 HydrophobicContact CD1-CG2 3.88Å; I30-V32 HydrophobicContact CG1-CG2 4.07Å; V32-A40 WeakPolarHBondContact O-CA 3.33Å; V32-R41 PolarHBondContact N-O 2.87Å; V32-R41 PolarHBondContact O-N 3.45Å; V32-E43 HydrophobicContact CG2-CB 4.44Å; V32-E43 HydrophobicContact CG2-CG 3.74Å; V32-Y49 HydrophobicContact CG1-CE1 4.13Å; V32-Y49 HydrophobicContact CG2-CD1 4.42Å; V32-Y49 HydrophobicContact CG2-CE1 3.88Å; V32-Y49 HydrophobicContact CG2-CE2 4.38Å; V32-E55 HydrophobicContact CG1-CB 3.9Å; V32-E55 HydrophobicContact CG1-CG 4.26Å; V32-V57 HydrophobicContact CG2-CG2 4.15Å
33L87.9Confident87.4Confident20 Ų2052.5 Ų52.511%0.10527%0.268CS..EExtended strand (participates in β ladder)trans-98.1115.7175.7177.166.8000109.2I39 A40 E55 R56 L58L33-I39 WeakPolarHBondContact CA-O 3.45Å; L33-A40 HydrophobicContact CD1-CB 4.18Å; L33-E55 CarbonylContact O-C 3.56Å; L33-E55 WeakPolarHBondContact O-CA 3.32Å; L33-R56 PolarHBondContact N-O 2.97Å; L33-R56 PolarHBondContact O-N 2.84Å; L33-L58 HydrophobicContact CB-CD2 3.97Å; L33-L58 HydrophobicContact CB-CG 4.34Å; L33-L58 HydrophobicContact CD2-CD2 4.24Å
34D86.9Confident87.5Confident22 Ų2248.5 Ų48.512%0.11826%0.257CS..EExtended strand (participates in β ladder)trans-77.7118.4166.2174.66.1000108.8T36 T37 N38 I39 N54D34-T36 VanDerWaalsContact C-N 3.29Å; D34-T36 PolarHBondContact O-N 3.35Å; D34-T36 WeakPolarHBondContact OD1-CB 3.48Å; D34-T36 PolarHBondContact OD1-N 3.17Å; D34-T36 PolarHBondContact OD1-OG1 2.93Å; D34-T37 WeakPolarHBondContact CB-OG1 3.44Å; D34-T37 PolarHBondContact OD2-OG1 3.4Å; D34-N38 CarbonylContact O-C 3.57Å; D34-N38 WeakPolarHBondContact O-CA 3.33Å; D34-N38 PolarHBondContact O-N 3.24Å; D34-I39 PolarHBondContact N-O 3.06Å; D34-I39 PolarHBondContact O-N 3.01Å; D34-N54 PolarHBondContact OD1-ND2 3.18Å
35Q84.6Confident87.4Confident112 Ų11249 Ų4952%0.52326%0.262SS..THydrogen-bonded Turntrans-74.1-18.2-176.7-62.5-175.9-15.700113.2N54 R56Q35-N54 WeakPolarHBondContact CB-O 3.25Å; Q35-N54 PolarHBondContact N-O 3.08Å; Q35-R56 HydrophobicContact CG-CB 4.48Å
36T84Confident87.4Confident110 Ų11051 Ų5168%0.67528%0.276SS*.THydrogen-bonded Turntrans-78.7-44.3178.6-47.50000110.9D34 N54D34-T36 VanDerWaalsContact C-N 3.29Å; D34-T36 PolarHBondContact O-N 3.35Å; D34-T36 WeakPolarHBondContact OD1-CB 3.48Å; D34-T36 PolarHBondContact OD1-N 3.17Å; D34-T36 PolarHBondContact OD1-OG1 2.93Å; T36-N54 WeakPolarHBondContact OG1-CB 3.26Å
37T80.1Confident87.2Confident78 Ų7850.6 Ų50.648%0.47927%0.269SS..THydrogen-bonded Turntrans-93.2-14.5179.756.40000112.5D34 I39D34-T37 WeakPolarHBondContact CB-OG1 3.44Å; D34-T37 PolarHBondContact OD2-OG1 3.4Å; T37-I39 PolarHBondContact O-N 3.16Å
38N83Confident87.2Confident120 Ų12048 Ų4864%0.64226%0.262SS*.THydrogen-bonded Turntrans58.429-172.2-155.929.9000113.8D34D34-N38 CarbonylContact O-C 3.57Å; D34-N38 WeakPolarHBondContact O-CA 3.33Å; D34-N38 PolarHBondContact O-N 3.24Å
39I84.2Confident87Confident21 Ų2147.2 Ų47.211%0.10826%0.257CS..EExtended strand (participates in β ladder)trans-101.9124.7-176.4-61.3172.2000110L33 D34 T37 S92 Q94L33-I39 WeakPolarHBondContact CA-O 3.45Å; D34-I39 PolarHBondContact N-O 3.06Å; D34-I39 PolarHBondContact O-N 3.01Å; T37-I39 PolarHBondContact O-N 3.16Å; I39-S92 WeakPolarHBondContact CD1-O 3.22Å; I39-Q94 HydrophobicContact CG2-CB 3.99Å
40A86.1Confident86.7Confident14 Ų1451.4 Ų51.412%0.11628%0.279CS..EExtended strand (participates in β ladder)trans-91.6129.3170.300000110.1V32 L33 L58 P115V32-A40 WeakPolarHBondContact O-CA 3.33Å; L33-A40 HydrophobicContact CD1-CB 4.18Å; A40-L58 HydrophobicContact CB-CD1 4.3Å; A40-P115 HydrophobicContact CB-CB 3.86Å; A40-P115 HydrophobicContact CB-CG 3.96Å
41R86.4Confident86.3Confident76 Ų7654.3 Ų54.329%0.28729%0.29SS..EExtended strand (participates in β ladder)trans-125.9160.7173.667.8-179.1-176.2-86.50.8111.2H31 V32 E43 Y49 E55H31-R41 CarbonylContact C-O 3.54Å; H31-R41 VanDerWaalsContact CA-O 3.3Å; H31-R41 WeakPolarHBondContact CA-O 3.45Å; V32-R41 PolarHBondContact N-O 2.87Å; V32-R41 PolarHBondContact O-N 3.45Å; R41-E43 IonicContact CZ-OE1 3.27Å; R41-E43 IonicContact NE-OE1 3.11Å; R41-E43 PolarHBondContact NE-OE1 2.82Å; R41-E43 IonicContact NH2-OE1 2.99Å; R41-Y49 PolarHBondContact NH2-OH 2.55Å; R41-E55 IonicContact CZ-OE1 2.64Å; R41-E55 IonicContact NH1-OE1 2.69Å; R41-E55 PolarHBondContact NH1-OE1 2.98Å; R41-E55 IonicContact NH2-OE1 3.17Å; R41-E55 PolarHBondContact NH2-OE1 3.28Å
42V90.5Very high86Confident23 Ų2358.6 Ų58.614%0.13931%0.31CS..EExtended strand (participates in β ladder)trans-94.3132.9176.5630000110.6Y29 I30 I44 P112 Y114Y29-V42 HydrophobicContact CD2-CG2 3.71Å; Y29-V42 HydrophobicContact CG-CG2 4.16Å; I30-V42 WeakPolarHBondContact O-CA 3.35Å; V42-I44 HydrophobicContact CG2-CG1 4.27Å; V42-P112 HydrophobicContact CG2-CB 4.02Å; V42-P112 HydrophobicContact CG2-CG 4.34Å; V42-Y114 HydrophobicContact CB-CD1 4.49Å; V42-Y114 HydrophobicContact CG1-CD1 3.56Å; V42-Y114 HydrophobicContact CG1-CE1 3.39Å; V42-Y114 HydrophobicContact CG1-CG 4.27Å
43E88.6Confident85.6Confident41 Ų4166.7 Ų66.719%0.19235%0.354CS..EExtended strand (participates in β ladder)trans-114.3128.1172.1-65.1-67.7168.900108.9I24 Y29 I30 V32 R41 Y49I24-E43 HydrophobicContact CD1-CB 4Å; Y29-E43 WeakPolarHBondContact CA-O 3.43Å; Y29-E43 WeakPolarHBondContact CB-O 3.41Å; I30-E43 HydrophobicContact CD1-CB 4.46Å; I30-E43 HydrophobicContact CG1-CB 3.88Å; I30-E43 PolarHBondContact N-O 3.07Å; I30-E43 PolarHBondContact O-N 3.19Å; V32-E43 HydrophobicContact CG2-CB 4.44Å; V32-E43 HydrophobicContact CG2-CG 3.74Å; R41-E43 IonicContact CZ-OE1 3.27Å; R41-E43 IonicContact NE-OE1 3.11Å; R41-E43 PolarHBondContact NE-OE1 2.82Å; R41-E43 IonicContact NH2-OE1 2.99Å; E43-Y49 HydrophobicContact CB-CD2 4.46Å; E43-Y49 HydrophobicContact CG-CD2 4.03Å; E43-Y49 HydrophobicContact CG-CE2 3.78Å
44I89.4Confident85.5Confident75 Ų7568.7 Ų68.739%0.38537%0.365SS..EExtended strand (participates in β ladder)trans-109136.6-171.2-65.7169.8000109.9V42 M64 P112V42-I44 HydrophobicContact CG2-CG1 4.27Å; I44-M64 HydrophobicContact CB-CE 4.09Å; I44-M64 HydrophobicContact CD1-CE 4.26Å; I44-M64 HydrophobicContact CG1-CE 3.87Å; I44-M64 HydrophobicContact CG2-CE 3.3Å; I44-P112 HydrophobicContact CD1-CG 3.82Å; I44-P112 HydrophobicContact CG1-CG 4.1Å
45G87.1Confident85.4Confident10 Ų1068.4 Ų68.410%0.10336%0.363CS..SBendtrans-82.2162.5174.500000114P25 H28P25-G45 WeakPolarHBondContact O-CA 3.42Å; H28-G45 PolarHBondContact O-N 2.96Å
46P87.6Confident85.4Confident91 Ų9169.1 Ų69.159%0.59136%0.36SS*.SBendcis-86.6111.312.231.2-32.5000113.5I24 P26I24-P46 WeakPolarHBondContact O-CA 3.27Å; P26-P46 HydrophobicContact CG-CB 4.08Å
47L85.1Confident85.6Confident69 Ų6964.1 Ų64.136%0.36133%0.33SS..EExtended strand (participates in β ladder)trans-144.2134.6-177.1-178.662.4000109.5I24 Y49I24-L47 WeakPolarHBondContact CB-O 3.35Å; I24-L47 HydrophobicContact CD1-CB 4.46Å; I24-L47 PolarHBondContact N-O 2.78Å; I24-L47 PolarHBondContact O-N 3.47Å; I24-L47 VanDerWaalsContact O-N 3.16Å; L47-Y49 HydrophobicContact CD2-CD2 4.24Å; L47-Y49 PolarHBondContact O-N 3.48Å
48T87Confident85.8Confident61 Ų6163.8 Ų63.837%0.37433%0.325SS..EExtended strand (participates in β ladder)trans-88101.7162-58.60000106.9I21 R23I21-T48 HydrophobicContact CG2-CG2 3.41Å; I21-T48 VanDerWaalsContact CG2-CG2 3.41Å; R23-T48 WeakPolarHBondContact CD-OG1 3.37Å; R23-T48 PolarHBondContact NH1-OG1 3.44Å
49Y86.3Confident85.9Confident20 Ų2060.6 Ų60.68%0.07831%0.305CS..EExtended strand (participates in β ladder)trans-80.6130.1179.4-169.5-97.4000110.1I22 I30 V32 R41 E43 L47 R51 E55I22-Y49 PolarHBondContact N-O 3.38Å; I22-Y49 PolarHBondContact O-N 3.07Å; I30-Y49 HydrophobicContact CD1-CD1 4.3Å; I30-Y49 HydrophobicContact CD1-CG 4.32Å; V32-Y49 HydrophobicContact CG1-CE1 4.13Å; V32-Y49 HydrophobicContact CG2-CD1 4.42Å; V32-Y49 HydrophobicContact CG2-CE1 3.88Å; V32-Y49 HydrophobicContact CG2-CE2 4.38Å; R41-Y49 PolarHBondContact NH2-OH 2.55Å; E43-Y49 HydrophobicContact CB-CD2 4.46Å; E43-Y49 HydrophobicContact CG-CD2 4.03Å; E43-Y49 HydrophobicContact CG-CE2 3.78Å; L47-Y49 HydrophobicContact CD2-CD2 4.24Å; L47-Y49 PolarHBondContact O-N 3.48Å; Y49-R51 HydrophobicContact CE1-CB 4.35Å; Y49-E55 PolarHBondContact OH-OE1 3.13Å; Y49-E55 PolarHBondContact OH-OE2 3.36Å
50I86Confident86Confident102 Ų10263.3 Ų63.352%0.52332%0.324SS..EExtended strand (participates in β ladder)trans-110115.5174.8-57174000106.8Q52I50-Q52 PolarHBondContact O-NE2 3.36Å
51R83.4Confident86.2Confident60 Ų6064.6 Ų64.623%0.22633%0.331CS..  trans-73.7128.9-175.9-171.2-175.580.4179.44.4110.2V17 D18 S20 Y49 E55V17-R51 PolarHBondContact O-NH1 3.32Å; D18-R51 IonicContact OD1-CZ 3.07Å; D18-R51 IonicContact OD1-NH1 3.28Å; D18-R51 PolarHBondContact OD1-NH1 2.85Å; D18-R51 IonicContact OD1-NH2 3.72Å; D18-R51 PolarHBondContact OD1-NH2 3.33Å; S20-R51 PolarHBondContact O-N 3.43Å; S20-R51 VanDerWaalsContact O-N 3.11Å; Y49-R51 HydrophobicContact CE1-CB 4.35Å; R51-E55 WeakPolarHBondContact CD-O 3.48Å; R51-E55 HydrophobicContact CG-CB 3.93Å; R51-E55 WeakPolarHBondContact CG-O 3.27Å
52Q83.2Confident86.4Confident105 Ų10563.9 Ų63.949%0.49134%0.335SS..  trans-79.1161.9171.8-54.4-56.9-47.800111.2I50 N54 E55I50-Q52 PolarHBondContact O-NE2 3.36Å; Q52-N54 PolarHBondContact O-N 3.04Å; Q52-E55 HydrophobicContact CB-CG 4.05Å; Q52-E55 PolarHBondContact N-OE2 2.82Å; Q52-E55 VanDerWaalsContact N-OE2 3.11Å; Q52-E55 PolarHBondContact O-N 3.04Å
53D80.2Confident86.3Confident171 Ų17172 Ų7291%0.91436%0.363SS*.THydrogen-bonded Turntrans-60.8-31.7-175.6-68.2-23.3000113.2E55D53-E55 VanDerWaalsContact C-N 3.31Å
54N85.1Confident86.5Confident62 Ų6271 Ų7133%0.33236%0.359SS..THydrogen-bonded Turntrans-87.310.1177.362.5-53.8000113.8D34 Q35 T36 Q52D34-N54 PolarHBondContact OD1-ND2 3.18Å; Q35-N54 WeakPolarHBondContact CB-O 3.25Å; Q35-N54 PolarHBondContact N-O 3.08Å; T36-N54 WeakPolarHBondContact OG1-CB 3.26Å; Q52-N54 PolarHBondContact O-N 3.04Å
55E85.6Confident86.5Confident16 Ų1668.6 Ų68.68%0.07535%0.347CS..EExtended strand (participates in β ladder)trans-116.7144.2-175.2-65.7-179.6152.700112.9V32 L33 R41 Y49 R51 Q52 D53V32-E55 HydrophobicContact CG1-CB 3.9Å; V32-E55 HydrophobicContact CG1-CG 4.26Å; L33-E55 CarbonylContact O-C 3.56Å; L33-E55 WeakPolarHBondContact O-CA 3.32Å; R41-E55 IonicContact CZ-OE1 2.64Å; R41-E55 IonicContact NH1-OE1 2.69Å; R41-E55 PolarHBondContact NH1-OE1 2.98Å; R41-E55 IonicContact NH2-OE1 3.17Å; R41-E55 PolarHBondContact NH2-OE1 3.28Å; Y49-E55 PolarHBondContact OH-OE1 3.13Å; Y49-E55 PolarHBondContact OH-OE2 3.36Å; R51-E55 WeakPolarHBondContact CD-O 3.48Å; R51-E55 HydrophobicContact CG-CB 3.93Å; R51-E55 WeakPolarHBondContact CG-O 3.27Å; Q52-E55 HydrophobicContact CB-CG 4.05Å; Q52-E55 PolarHBondContact N-OE2 2.82Å; Q52-E55 VanDerWaalsContact N-OE2 3.11Å; Q52-E55 PolarHBondContact O-N 3.04Å; D53-E55 VanDerWaalsContact C-N 3.31Å
56R85.6Confident86.6Confident127 Ų12774 Ų7448%0.47937%0.371SS..EExtended strand (participates in β ladder)trans-128.1124.9174.4-172.5177.572.9177.14.1110.7L33 Q35L33-R56 PolarHBondContact N-O 2.97Å; L33-R56 PolarHBondContact O-N 2.84Å; Q35-R56 HydrophobicContact CG-CB 4.48Å
57V86.2Confident86.7Confident5 Ų569.8 Ų69.83%0.0334%0.343CS..EExtended strand (participates in β ladder)trans-80.1130.6172.9-178.80000109.6V17 I22 I30 H31 V32 F59V17-V57 HydrophobicContact CG1-CB 3.95Å; V17-V57 HydrophobicContact CG1-CG1 4.12Å; I22-V57 HydrophobicContact CD1-CB 3.91Å; I22-V57 HydrophobicContact CD1-CG1 4.04Å; I22-V57 HydrophobicContact CD1-CG2 3.42Å; I22-V57 VanDerWaalsContact CD1-CG2 3.42Å; I30-V57 HydrophobicContact CB-CG1 4.12Å; I30-V57 HydrophobicContact CD1-CG1 4.01Å; I30-V57 HydrophobicContact CD1-CG2 4.28Å; I30-V57 HydrophobicContact CG2-CG1 4.47Å; H31-V57 WeakPolarHBondContact O-CA 3.45Å; V32-V57 HydrophobicContact CG2-CG2 4.15Å; V57-F59 VanDerWaalsContact CG1-O 3.3Å; V57-F59 WeakPolarHBondContact CG1-O 3.3Å
58L86.1Confident87Confident71 Ų7168.9 Ų68.937%0.37234%0.341SS..  trans-81.2-33.3-173.5-61.6-177.1000113.3H31 L33 A40H31-L58 HydrophobicContact CB-CB 4.15Å; H31-L58 HydrophobicContact CB-CD1 3.81Å; H31-L58 HydrophobicContact CB-CG 4.18Å; H31-L58 PolarHBondContact O-N 3.46Å; L33-L58 HydrophobicContact CB-CD2 3.97Å; L33-L58 HydrophobicContact CB-CG 4.34Å; L33-L58 HydrophobicContact CD2-CD2 4.24Å; A40-L58 HydrophobicContact CB-CD1 4.3Å
59F85.3Confident87Confident52 Ų5270.6 Ų70.623%0.22835%0.354CS..SBendtrans-154.1155.7178.649.6-102.7000111.6Y29 H31 V57 V62Y29-F59 HydrophobicContact CD2-CE2 4.23Å; Y29-F59 HydrophobicContact CD2-CZ 4.25Å; Y29-F59 AromaticContact CE2-CE2 3.99Å; Y29-F59 HydrophobicContact CE2-CE2 3.99Å; Y29-F59 AromaticContact CE2-CZ 3.77Å; Y29-F59 HydrophobicContact CE2-CZ 3.77Å; H31-F59 HydrophobicContact CB-CE1 3.76Å; H31-F59 HydrophobicContact CB-CZ 3.88Å; H31-F59 AromaticContact CD2-CZ 3.66Å; H31-F59 AromaticContact CE1-CE1 3.85Å; H31-F59 AromaticContact CE1-CZ 3.71Å; H31-F59 AromaticContact CG-CE1 3.49Å; H31-F59 VanDerWaalsContact CG-CE1 3.49Å; H31-F59 AromaticContact CG-CZ 3.38Å; H31-F59 AromaticContact ND1-CE1 3.25Å; H31-F59 VanDerWaalsContact ND1-CE1 3.25Å; H31-F59 WeakPolarHBondContact ND1-CE1 3.27Å; H31-F59 AromaticContact ND1-CZ 3.46Å; H31-F59 WeakPolarHBondContact ND1-CZ 3.49Å; H31-F59 AromaticContact NE2-CZ 3.84Å; V57-F59 VanDerWaalsContact CG1-O 3.3Å; V57-F59 WeakPolarHBondContact CG1-O 3.3Å; F59-V62 HydrophobicContact CD2-CB 4.41Å; F59-V62 HydrophobicContact CD2-CG2 3.6Å; F59-V62 HydrophobicContact CE2-CB 4.23Å; F59-V62 HydrophobicContact CE2-CG2 3.87Å; F59-V62 HydrophobicContact CG-CG2 4.45Å
60P86.3Confident87Confident78 Ų7878.8 Ų78.851%0.50638%0.384SS..SBendtrans-64.6159.8175.328.8-36.7000111.8V62P60-V62 WeakPolarHBondContact O-CG2 3.3Å; P60-V62 PolarHBondContact O-N 3.01Å
61P89.4Confident87.3Confident41 Ų4176.7 Ų76.727%0.26637%0.372SS..  trans-48.4113.1-176.8-28.634.4000114.5I22 I24 H28 I30I22-P61 HydrophobicContact CG2-CG 3.93Å; I24-P61 HydrophobicContact CG1-CG 4.48Å; I24-P61 HydrophobicContact CG2-CB 4.4Å; H28-P61 HydrophobicContact CB-CB 4.06Å; I30-P61 VanDerWaalsContact CG2-CA 3.47Å; I30-P61 HydrophobicContact CG2-CB 4.04Å; I30-P61 HydrophobicContact CG2-CG 3.71Å
62V89.7Confident87.8Confident62 Ų6275 Ų7538%0.37637%0.366SS..EExtended strand (participates in β ladder)trans-98.8145.8178.7177.70000109.9H28 Y29 F59 P60H28-V62 CarbonylContact C-O 3.55Å; H28-V62 WeakPolarHBondContact CA-O 3.44Å; H28-V62 WeakPolarHBondContact CB-O 3.19Å; Y29-V62 WeakPolarHBondContact CD1-O 3.23Å; Y29-V62 HydrophobicContact CE1-CB 4.35Å; Y29-V62 HydrophobicContact CE1-CG1 4.35Å; Y29-V62 PolarHBondContact N-O 3.01Å; Y29-V62 PolarHBondContact O-N 3.36Å; F59-V62 HydrophobicContact CD2-CB 4.41Å; F59-V62 HydrophobicContact CD2-CG2 3.6Å; F59-V62 HydrophobicContact CE2-CB 4.23Å; F59-V62 HydrophobicContact CE2-CG2 3.87Å; F59-V62 HydrophobicContact CG-CG2 4.45Å; P60-V62 WeakPolarHBondContact O-CG2 3.3Å; P60-V62 PolarHBondContact O-N 3.01Å
63R89.8Confident88.2Confident192 Ų19270 Ų7073%0.72534%0.343SS*.EExtended strand (participates in β ladder)trans-66.1137.9176.5-74.6-176.6179.9-170.91.6111.7H28H28-R63 WeakPolarHBondContact NE2-CG 3.42Å
64M91.6Very high88.7Confident22 Ų2262.3 Ų62.311%0.10830%0.302CS..PPolyproline II helixtrans-61.8151.1166.6-70.8-179.217500111.4H27 Y29 I44 M66 P110 F111 P112H27-M64 HydrophobicContact CB-SD 4.36Å; H27-M64 WeakPolarHBondContact O-CB 3.34Å; H27-M64 WeakPolarHBondContact O-CG 3.21Å; H27-M64 PolarHBondContact O-N 3.39Å; Y29-M64 HydrophobicContact CD1-CG 3.95Å; I44-M64 HydrophobicContact CB-CE 4.09Å; I44-M64 HydrophobicContact CD1-CE 4.26Å; I44-M64 HydrophobicContact CG1-CE 3.87Å; I44-M64 HydrophobicContact CG2-CE 3.3Å; M64-M66 PolarHBondContact O-N 2.98Å; M64-P110 HydrophobicContact CB-CB 3.88Å; M64-P110 HydrophobicContact SD-CB 4.34Å; M64-P110 VanDerWaalsContact SD-O 3.39Å; M64-F111 WeakPolarHBondContact CA-O 3.39Å; M64-F111 WeakPolarHBondContact CB-O 2.84Å; M64-P112 HydrophobicContact CE-CB 4.09Å; M64-P112 HydrophobicContact CE-CG 4.1Å; M64-P112 HydrophobicContact CG-CB 4.29Å
65I90Very high89Confident24 Ų2459.4 Ų59.412%0.12329%0.286CS..EExtended strand (participates in β ladder)trans-78.8124.6178.1-63.2158.3000108.5V67 P110 F111 L113 I119 V123I65-V67 HydrophobicContact CG2-CG2 4.2Å; I65-P110 WeakPolarHBondContact O-CA 3.41Å; I65-F111 HydrophobicContact CB-CD2 4.31Å; I65-F111 HydrophobicContact CB-CE1 4.27Å; I65-F111 HydrophobicContact CB-CE2 3.77Å; I65-F111 HydrophobicContact CB-CZ 3.75Å; I65-F111 HydrophobicContact CD1-CD2 4.5Å; I65-F111 HydrophobicContact CD1-CE2 3.73Å; I65-F111 HydrophobicContact CD1-CZ 4.29Å; I65-F111 HydrophobicContact CG1-CE2 4.36Å; I65-F111 HydrophobicContact CG2-CE1 4.13Å; I65-F111 HydrophobicContact CG2-CE2 4.13Å; I65-F111 HydrophobicContact CG2-CZ 3.62Å; I65-F111 PolarHBondContact N-O 3.08Å; I65-F111 PolarHBondContact O-N 3.43Å; I65-F111 VanDerWaalsContact O-N 3.15Å; I65-L113 HydrophobicContact CD1-CD1 3.85Å; I65-L113 HydrophobicContact CD1-CD2 3.45Å; I65-L113 VanDerWaalsContact CD1-CD2 3.45Å; I65-L113 HydrophobicContact CD1-CG 3.55Å; I65-I119 HydrophobicContact CD1-CD1 3.89Å; I65-I119 HydrophobicContact CG1-CD1 4.33Å; I65-I119 HydrophobicContact CG2-CD1 4.43Å; I65-V123 HydrophobicContact CG2-CG2 4.45Å
66M89.1Confident89.3Confident123 Ų12359.5 Ų59.561%0.60629%0.289SS*.EExtended strand (participates in β ladder)trans-108.2120174.5-176.9-171.8-69.300108.9M64 P68 P110M64-M66 PolarHBondContact O-N 2.98Å; M66-P68 WeakPolarHBondContact O-CD 3.45Å; M66-P110 HydrophobicContact CB-CG 4.49Å; M66-P110 HydrophobicContact CE-CG 4.03Å; M66-P110 HydrophobicContact CG-CG 4.43Å
67V90.6Very high89.5Confident3 Ų355.3 Ų55.32%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-102.6107.7176.5-176.50000108.7I65 H71 C73 T107 F111I65-V67 HydrophobicContact CG2-CG2 4.2Å; V67-H71 HydrophobicContact CG1-CB 4.25Å; V67-H71 VanDerWaalsContact CG1-O 3.24Å; V67-H71 WeakPolarHBondContact CG1-O 3.34Å; V67-C73 HydrophobicContact CG2-CB 4.4Å; V67-T107 WeakPolarHBondContact O-CA 3.3Å; V67-F111 HydrophobicContact CG2-CE1 3.96Å; V67-F111 HydrophobicContact CG2-CZ 4.33Å
68P89.5Confident89.8Confident49 Ų4955.1 Ų55.132%0.31828%0.275SS..  trans-65.2165.5179.2-2133.6000113.1M66 R70 H71 T107 V123M66-P68 WeakPolarHBondContact O-CD 3.45Å; P68-R70 PolarHBondContact O-N 2.93Å; P68-H71 PolarHBondContact O-N 3.42Å; P68-T107 PolarHBondContact O-OG1 3.25Å; P68-V123 VanDerWaalsContact CD-CG1 3.46Å; P68-V123 HydrophobicContact CG-CG1 4.37Å
69P88.7Confident90Very high97 Ų9751.7 Ų51.763%0.6326%0.257SS*.THydrogen-bonded Turntrans-49.9140167.2-27.536000112.1H71 T107P69-H71 PolarHBondContact O-N 3.49Å; P69-H71 PolarHBondContact O-ND1 2.96Å; P69-T107 VanDerWaalsContact CA-OG1 3.24Å; P69-T107 WeakPolarHBondContact CA-OG1 2.9Å; P69-T107 HydrophobicContact CB-CG2 4.5Å; P69-T107 HydrophobicContact CG-CG2 4.13Å
70R86.1Confident90Very high192 Ų19249.9 Ų49.973%0.72525%0.252SS*.THydrogen-bonded Turntrans61.120.6-179.4-53.9179.4176.8165.9-1.3115.2P68 L126P68-R70 PolarHBondContact O-N 2.93Å; R70-L126 PolarHBondContact O-N 3.33Å
71H92Very high90Very high58 Ų5849.3 Ų49.327%0.26924%0.239SC..EExtended strand (participates in β ladder)trans-122162.3172-65.567.3000110V67 P68 P69 V123 T124V67-H71 HydrophobicContact CG1-CB 4.25Å; V67-H71 VanDerWaalsContact CG1-O 3.24Å; V67-H71 WeakPolarHBondContact CG1-O 3.34Å; P68-H71 PolarHBondContact O-N 3.42Å; P69-H71 PolarHBondContact O-N 3.49Å; P69-H71 PolarHBondContact O-ND1 2.96Å; H71-V123 HydrophobicContact CB-CG1 3.72Å; H71-T124 CarbonylContact C-O 3.37Å; H71-T124 WeakPolarHBondContact CA-O 3.42Å; H71-T124 WeakPolarHBondContact CB-O 3.4Å
72Y93.3Very high89.7Confident24 Ų2450.2 Ų50.29%0.09424%0.242CC..EExtended strand (participates in β ladder)trans-140.3160.317376.4-76.6000110V74 I104 R105 Q121 V123 T124 L126 P167Y72-V74 HydrophobicContact CD2-CG2 4.06Å; Y72-V74 HydrophobicContact CE2-CG2 3.73Å; Y72-I104 HydrophobicContact CD2-CG2 3.82Å; Y72-I104 HydrophobicContact CG-CG2 4.28Å; Y72-R105 VanDerWaalsContact CA-O 3.32Å; Y72-R105 WeakPolarHBondContact CA-O 2.93Å; Y72-Q121 PolarHBondContact OH-NE2 2.94Å; Y72-Q121 PolarHBondContact OH-OE1 3.49Å; Y72-V123 CarbonylContact O-C 3.42Å; Y72-V123 WeakPolarHBondContact O-CA 3.19Å; Y72-T124 VanDerWaalsContact CD1-O 3.28Å; Y72-T124 WeakPolarHBondContact CD1-O 3.39Å; Y72-T124 HydrophobicContact CE1-CG2 3.98Å; Y72-T124 PolarHBondContact N-O 2.85Å; Y72-T124 PolarHBondContact O-N 3.28Å; Y72-L126 HydrophobicContact CD1-CD2 3.68Å; Y72-L126 HydrophobicContact CD1-CG 4.43Å; Y72-L126 HydrophobicContact CE1-CD2 4.48Å; Y72-L126 HydrophobicContact CG-CD2 4.2Å; Y72-P167 HydrophobicContact CD1-CG 4.15Å; Y72-P167 HydrophobicContact CD2-CG 4.4Å; Y72-P167 HydrophobicContact CE1-CG 3.71Å; Y72-P167 HydrophobicContact CE2-CB 4.14Å; Y72-P167 HydrophobicContact CE2-CG 3.97Å; Y72-P167 HydrophobicContact CG-CG 4.48Å
73C91.1Very high89.2Confident0 Ų055.6 Ų55.60%027%0.269CS..EExtended strand (participates in β ladder)trans-130.7160.6164.268.30000109.5V67 I104 R105 I119 Q121 V123V67-C73 HydrophobicContact CG2-CB 4.4Å; C73-I104 WeakPolarHBondContact O-CA 2.88Å; C73-R105 PolarHBondContact N-O 3.37Å; C73-R105 PolarHBondContact O-N 3.39Å; C73-I119 HydrophobicContact CB-CD1 4.33Å; C73-Q121 WeakPolarHBondContact CA-O 3.46Å; C73-Q121 WeakPolarHBondContact CB-O 3.42Å; C73-V123 HydrophobicContact CB-CG2 4.44Å
74V91.4Very high88.6Confident11 Ų1153.2 Ų53.27%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-113.4122.2177.2-174.60000108.5Y72 L102 I104 Q120 Q121Y72-V74 HydrophobicContact CD2-CG2 4.06Å; Y72-V74 HydrophobicContact CE2-CG2 3.73Å; V74-L102 HydrophobicContact CG1-CB 4.16Å; V74-L102 HydrophobicContact CG1-CD1 4.42Å; V74-L102 HydrophobicContact CG1-CD2 4.29Å; V74-I104 HydrophobicContact CG2-CG1 4.1Å; V74-Q120 HydrophobicContact CB-CB 4.5Å; V74-Q120 HydrophobicContact CG1-CB 4.35Å; V74-Q120 PolarHBondContact O-N 2.98Å; V74-Q121 HydrophobicContact CB-CB 3.8Å; V74-Q121 HydrophobicContact CG2-CB 3.85Å; V74-Q121 PolarHBondContact N-O 3.1Å; V74-Q121 VanDerWaalsContact N-O 3.1Å; V74-Q121 PolarHBondContact O-N 3.4Å; V74-Q121 VanDerWaalsContact O-N 3.16Å
75V91.8Very high87.8Confident0 Ų057.5 Ų57.50%029%0.294CS..EExtended strand (participates in β ladder)trans-105.2128.4177.2-179.40000108.6L102 E103 R105 F111 L113 E117 E118V75-L102 WeakPolarHBondContact O-CA 2.73Å; V75-E103 PolarHBondContact N-O 2.89Å; V75-E103 PolarHBondContact O-N 3.17Å; V75-R105 HydrophobicContact CG2-CG 4.32Å; V75-F111 HydrophobicContact CG2-CE2 4.46Å; V75-L113 HydrophobicContact CG1-CD2 4.2Å; V75-L113 HydrophobicContact CG2-CD2 4.44Å; V75-E117 HydrophobicContact CG1-CB 4.1Å; V75-E117 HydrophobicContact CG1-CG 4.37Å; V75-E118 CarbonylContact C-O 3.51Å; V75-E118 WeakPolarHBondContact CA-O 3.21Å
76S91.7Very high87.4Confident19 Ų1962.8 Ų62.813%0.13332%0.318CS..EExtended strand (participates in β ladder)trans-92.4146.8172.348.20000111.2E118S76-E118 PolarHBondContact N-O 2.94Å; S76-E118 PolarHBondContact O-N 2.75Å; S76-E118 VanDerWaalsContact O-N 3.09Å; S76-E118 WeakPolarHBondContact OG-CB 3.36Å; S76-E118 PolarHBondContact OG-O 3.39Å; S76-E118 VanDerWaalsContact OG-O 3.11Å
77N90.8Very high87.2Confident39 Ų3958 Ų5821%0.20930%0.296CS..SBendtrans54.849.7-174-51.9-45.4000113.2L97 R98 A100 D101 G116 E117N77-L97 HydrophobicContact CB-CD1 4.29Å; N77-R98 WeakPolarHBondContact CA-O 3.48Å; N77-A100 PolarHBondContact OD1-N 3.2Å; N77-D101 PolarHBondContact N-O 3.11Å; N77-G116 WeakPolarHBondContact CB-O 3.36Å; N77-E117 WeakPolarHBondContact O-CG 3.47Å
78P91.6Very high87Confident0 Ų061 Ų610%031%0.311CS..PPolyproline II helixtrans-62.5148.1-173.730.1-37.9000111.7R98 D101 E103 E117P78-R98 HydrophobicContact CG-CB 4.26Å; P78-R98 PolarHBondContact O-N 3.1Å; P78-D101 WeakPolarHBondContact CD-O 3.48Å; P78-D101 HydrophobicContact CG-CB 4.47Å; P78-E103 HydrophobicContact CB-CB 3.54Å; P78-E103 HydrophobicContact CB-CG 4.41Å; P78-E103 VanDerWaalsContact CB-OE2 3.3Å; P78-E103 WeakPolarHBondContact CB-OE2 3.19Å; P78-E103 HydrophobicContact CG-CB 3.74Å; P78-E117 WeakPolarHBondContact CA-OE1 3.34Å
79V89.6Confident86.7Confident0 Ų064.1 Ų64.10%032%0.32CS..BIsolated β-bridgetrans-55.7140.8172.4-70.10000111.7R81 V87 A95 L97 Y114 E117V79-R81 HydrophobicContact CG2-CG 4.29Å; V79-V87 HydrophobicContact CB-CG1 4.1Å; V79-V87 HydrophobicContact CB-CG2 4.47Å; V79-V87 HydrophobicContact CG1-CG1 4.15Å; V79-V87 HydrophobicContact CG2-CG2 4.03Å; V79-A95 HydrophobicContact CG1-CB 4.45Å; V79-L97 HydrophobicContact CB-CD2 4.31Å; V79-L97 HydrophobicContact CG1-CD2 3.57Å; V79-Y114 VanDerWaalsContact CG1-CB 3.48Å; V79-Y114 HydrophobicContact CG1-CD1 4.19Å; V79-Y114 HydrophobicContact CG1-CD2 3.61Å; V79-Y114 HydrophobicContact CG1-CE2 4.41Å; V79-Y114 HydrophobicContact CG1-CG 3.49Å; V79-Y114 VanDerWaalsContact CG1-CG 3.49Å; V79-Y114 HydrophobicContact CG2-CD2 4.39Å; V79-E117 HydrophobicContact CG1-CG 4.15Å; V79-E117 WeakPolarHBondContact CG2-OE1 3.11Å; V79-E117 PolarHBondContact N-OE1 3.13Å
80A86.9Confident86.3Confident14 Ų1462.4 Ų62.412%0.11631%0.306CS..PPolyproline II helixtrans-75.6130167.900000108.5L88 K96 R98A80-L88 HydrophobicContact CB-CB 4.48Å; A80-L88 HydrophobicContact CB-CD1 4.21Å; A80-L88 PolarHBondContact O-N 3.48Å; A80-K96 HydrophobicContact CB-CB 4.28Å; A80-K96 HydrophobicContact CB-CD 4.48Å; A80-K96 HydrophobicContact CB-CG 4.23Å; A80-K96 WeakPolarHBondContact CB-O 3.14Å; A80-K96 PolarHBondContact N-O 3.42Å; A80-R98 HydrophobicContact CB-CG 4.34Å
81R85.4Confident86Confident65 Ų6563.3 Ų63.325%0.24532%0.318CS..BIsolated β-bridgetrans-116.8152.7176.9-61.5-175.5-177.9107.711.2110.1V79 N85 E86 E103V79-R81 HydrophobicContact CG2-CG 4.29Å; R81-N85 WeakPolarHBondContact CD-O 3.33Å; R81-N85 WeakPolarHBondContact CD-OD1 3.46Å; R81-E86 CarbonylContact C-O 3.56Å; R81-E86 WeakPolarHBondContact CA-O 3.28Å; R81-E86 WeakPolarHBondContact CB-O 3.37Å; R81-E103 IonicContact CZ-OE1 3.27Å; R81-E103 IonicContact NH1-OE1 3.22Å; R81-E103 PolarHBondContact NH1-OE1 3.3Å; R81-E103 IonicContact NH1-OE2 2.87Å
82D83.1Confident85.1Confident60 Ų6064.1 Ų64.132%0.32133%0.33SS..  trans-82.7-175.9171.861.315.9000112.2D84 N85 E86 L88D82-D84 PolarHBondContact O-N 3.04Å; D82-D84 PolarHBondContact OD1-N 3.48Å; D82-D84 VanDerWaalsContact OD1-N 3.17Å; D82-N85 PolarHBondContact O-N 3.37Å; D82-N85 PolarHBondContact OD1-N 2.75Å; D82-E86 PolarHBondContact N-O 2.94Å; D82-E86 PolarHBondContact OD1-N 3.03Å; D82-L88 HydrophobicContact CB-CD2 3.96Å; D82-L88 HydrophobicContact CB-CG 4.29Å
83D79.8Confident84.3Confident176 Ų17664.7 Ų64.794%0.94134%0.343SS*.THydrogen-bonded Turntrans-65.4-23.1-179-65.4-28.2000112.6N85D83-N85 VanDerWaalsContact C-N 3.3Å
84D75.8Confident83.9Confident141 Ų14168.4 Ų68.475%0.75436%0.36SS*.THydrogen-bonded Turntrans-89.75174.6-67.5-43.5000112.5D82 E86D82-D84 PolarHBondContact O-N 3.04Å; D82-D84 PolarHBondContact OD1-N 3.48Å; D82-D84 VanDerWaalsContact OD1-N 3.17Å; D84-E86 VanDerWaalsContact C-N 3.25Å; D84-E86 PolarHBondContact O-N 3.15Å
85N75.8Confident83.6Confident112 Ų11268.3 Ų68.360%0.59936%0.361SS*.SBendtrans65.323.6177.6-159.646.1000113.9R81 D82 D83R81-N85 WeakPolarHBondContact CD-O 3.33Å; R81-N85 WeakPolarHBondContact CD-OD1 3.46Å; D82-N85 PolarHBondContact O-N 3.37Å; D82-N85 PolarHBondContact OD1-N 2.75Å; D83-N85 VanDerWaalsContact C-N 3.3Å
86E80.8Confident83.4Confident135 Ų13574.2 Ų74.263%0.63139%0.387SS*.PPolyproline II helixtrans-87.7155.3170.5-61.6-161.3160.500111.1R81 D82 D84R81-E86 CarbonylContact C-O 3.56Å; R81-E86 WeakPolarHBondContact CA-O 3.28Å; R81-E86 WeakPolarHBondContact CB-O 3.37Å; D82-E86 PolarHBondContact N-O 2.94Å; D82-E86 PolarHBondContact OD1-N 3.03Å; D84-E86 VanDerWaalsContact C-N 3.25Å; D84-E86 PolarHBondContact O-N 3.15Å
87V85.3Confident83.3Confident24 Ų2474.3 Ų74.315%0.14539%0.386CS..BIsolated β-bridgetrans-79.1127.2-176177.20000110.6V79 F89 A95 Y114V79-V87 HydrophobicContact CB-CG1 4.1Å; V79-V87 HydrophobicContact CB-CG2 4.47Å; V79-V87 HydrophobicContact CG1-CG1 4.15Å; V79-V87 HydrophobicContact CG2-CG2 4.03Å; V87-F89 HydrophobicContact CB-CE2 4.36Å; V87-F89 HydrophobicContact CB-CZ 4.49Å; V87-F89 HydrophobicContact CG1-CE2 4.38Å; V87-F89 HydrophobicContact CG1-CZ 4.26Å; V87-F89 VanDerWaalsContact O-CD2 3.26Å; V87-F89 WeakPolarHBondContact O-CD2 3.47Å; V87-F89 VanDerWaalsContact O-CE2 3.29Å; V87-F89 WeakPolarHBondContact O-CE2 3.23Å; V87-A95 HydrophobicContact CG1-CB 4.08Å; V87-Y114 HydrophobicContact CB-CE1 4.38Å; V87-Y114 HydrophobicContact CG1-CD1 4.38Å; V87-Y114 HydrophobicContact CG1-CE1 4.01Å; V87-Y114 HydrophobicContact CG2-CE1 4.23Å; V87-Y114 HydrophobicContact CG2-CE2 3.96Å; V87-Y114 WeakPolarHBondContact CG2-OH 3.29Å
88L86.2Confident83.2Confident65 Ų6577.1 Ų77.134%0.3439%0.393SS..PPolyproline II helixtrans-78.2131.2176.6-69.9171.9000110.8A80 D82 K96A80-L88 HydrophobicContact CB-CB 4.48Å; A80-L88 HydrophobicContact CB-CD1 4.21Å; A80-L88 PolarHBondContact O-N 3.48Å; D82-L88 HydrophobicContact CB-CD2 3.96Å; D82-L88 HydrophobicContact CB-CG 4.29Å; L88-K96 HydrophobicContact CB-CB 4.39Å; L88-K96 WeakPolarHBondContact O-CB 3.31Å; L88-K96 PolarHBondContact O-N 2.89Å
89F83.9Confident82.9Confident115 Ų11583.9 Ų83.950%0.50443%0.425SS..BIsolated β-bridgetrans-106.4148.9172-61.6-88.7000110.4V87 G93 Q94 A95V87-F89 HydrophobicContact CB-CE2 4.36Å; V87-F89 HydrophobicContact CB-CZ 4.49Å; V87-F89 HydrophobicContact CG1-CE2 4.38Å; V87-F89 HydrophobicContact CG1-CZ 4.26Å; V87-F89 VanDerWaalsContact O-CD2 3.26Å; V87-F89 WeakPolarHBondContact O-CD2 3.47Å; V87-F89 VanDerWaalsContact O-CE2 3.29Å; V87-F89 WeakPolarHBondContact O-CE2 3.23Å; F89-G93 WeakPolarHBondContact CD1-O 3.34Å; F89-Q94 CarbonylContact C-O 3.48Å; F89-Q94 VanDerWaalsContact CA-O 3.29Å; F89-Q94 WeakPolarHBondContact CA-O 3.21Å; F89-A95 HydrophobicContact CD1-CB 4.19Å; F89-A95 HydrophobicContact CE1-CB 4.03Å
90D80.7Confident82.6Confident61 Ų6188.7 Ų88.733%0.32646%0.464SS..  trans-77177.6173.169.314.4000112.1S92 G93 Q94D90-S92 PolarHBondContact O-N 3.02Å; D90-S92 VanDerWaalsContact O-N 3.14Å; D90-S92 WeakPolarHBondContact OD1-CA 3.44Å; D90-S92 WeakPolarHBondContact OD1-CB 3.46Å; D90-S92 PolarHBondContact OD1-N 3.31Å; D90-S92 PolarHBondContact OD1-OG 2.77Å; D90-S92 PolarHBondContact OD2-OG 3.32Å; D90-S92 VanDerWaalsContact OD2-OG 3.08Å; D90-G93 PolarHBondContact O-N 2.83Å; D90-G93 PolarHBondContact OD1-N 2.95Å; D90-Q94 PolarHBondContact N-O 2.91Å; D90-Q94 PolarHBondContact OD1-N 3.48Å; D90-Q94 WeakPolarHBondContact OD2-CB 3.44Å
91Q78.2Confident82.7Confident211 Ų21189.9 Ų89.999%0.98647%0.469SS*.THydrogen-bonded Turntrans-62.5-20.6-178.6-66178.44.600113.3
92S74.3Confident82.8Confident75 Ų7589.1 Ų89.152%0.52447%0.469SS..THydrogen-bonded Turntrans-83.9-23.7175.517.50000112.5I39 D90I39-S92 WeakPolarHBondContact CD1-O 3.22Å; D90-S92 PolarHBondContact O-N 3.02Å; D90-S92 VanDerWaalsContact O-N 3.14Å; D90-S92 WeakPolarHBondContact OD1-CA 3.44Å; D90-S92 WeakPolarHBondContact OD1-CB 3.46Å; D90-S92 PolarHBondContact OD1-N 3.31Å; D90-S92 PolarHBondContact OD1-OG 2.77Å; D90-S92 PolarHBondContact OD2-OG 3.32Å; D90-S92 VanDerWaalsContact OD2-OG 3.08Å
93G75.4Confident83.1Confident35 Ų3587.4 Ų87.436%0.36146%0.459SS..SBendtrans100.911.7-175.300000114.3F89 D90F89-G93 WeakPolarHBondContact CD1-O 3.34Å; D90-G93 PolarHBondContact O-N 2.83Å; D90-G93 PolarHBondContact OD1-N 2.95Å
94Q83.8Confident83.6Confident78 Ų7880.8 Ų80.836%0.36442%0.424SS..PPolyproline II helixtrans-85.6141.2172.8-172.1172.21.500110.7I39 F89 D90 K96I39-Q94 HydrophobicContact CG2-CB 3.99Å; F89-Q94 CarbonylContact C-O 3.48Å; F89-Q94 VanDerWaalsContact CA-O 3.29Å; F89-Q94 WeakPolarHBondContact CA-O 3.21Å; D90-Q94 PolarHBondContact N-O 2.91Å; D90-Q94 PolarHBondContact OD1-N 3.48Å; D90-Q94 WeakPolarHBondContact OD2-CB 3.44Å; Q94-K96 PolarHBondContact O-N 2.98Å
95A85.1Confident84.2Confident10 Ų1074.2 Ų74.28%0.08339%0.388CS..BIsolated β-bridgetrans-64.4125.6177.700000110.8V79 V87 F89 L97 Y114V79-A95 HydrophobicContact CG1-CB 4.45Å; V87-A95 HydrophobicContact CG1-CB 4.08Å; F89-A95 HydrophobicContact CD1-CB 4.19Å; F89-A95 HydrophobicContact CE1-CB 4.03Å; A95-L97 PolarHBondContact O-N 3.38Å; A95-Y114 HydrophobicContact CB-CD1 3.79Å; A95-Y114 HydrophobicContact CB-CG 4.45Å
96K88.3Confident84.9Confident124 Ų12472 Ų7254%0.53938%0.376SS..PPolyproline II helixtrans-76.2124.5-179.3-171.7175.7-176.8178.90109.6A80 L88 Q94A80-K96 HydrophobicContact CB-CB 4.28Å; A80-K96 HydrophobicContact CB-CD 4.48Å; A80-K96 HydrophobicContact CB-CG 4.23Å; A80-K96 WeakPolarHBondContact CB-O 3.14Å; A80-K96 PolarHBondContact N-O 3.42Å; L88-K96 HydrophobicContact CB-CB 4.39Å; L88-K96 WeakPolarHBondContact O-CB 3.31Å; L88-K96 PolarHBondContact O-N 2.89Å; Q94-K96 PolarHBondContact O-N 2.98Å
97L89Confident85.4Confident21 Ų2169 Ų6911%0.1137%0.367CS..BIsolated β-bridgetrans-103.3151178-54.5-176.8000111.7N77 V79 A95 H99 E117N77-L97 HydrophobicContact CB-CD1 4.29Å; V79-L97 HydrophobicContact CB-CD2 4.31Å; V79-L97 HydrophobicContact CG1-CD2 3.57Å; A95-L97 PolarHBondContact O-N 3.38Å; L97-H99 PolarHBondContact O-N 2.69Å; L97-E117 HydrophobicContact CD2-CG 4.08Å
98R88.1Confident85.4Confident97 Ų9772.2 Ų72.237%0.36638%0.376SS..  trans-86.384.4163.2-66.9-175-73161.9-13.9108.8N77 P78 A80 D101N77-R98 WeakPolarHBondContact CA-O 3.48Å; P78-R98 HydrophobicContact CG-CB 4.26Å; P78-R98 PolarHBondContact O-N 3.1Å; A80-R98 HydrophobicContact CB-CG 4.34Å; R98-D101 HydrophobicContact CB-CB 3.84Å; R98-D101 IonicContact CZ-OD2 3.75Å; R98-D101 IonicContact NE-OD2 2.89Å; R98-D101 IonicContact NH1-OD2 3.55Å; R98-D101 PolarHBondContact NH1-OD2 3.36Å; R98-D101 WeakPolarHBondContact O-CB 2.98Å; R98-D101 PolarHBondContact O-N 3.29Å
99H85.2Confident85.4Confident143 Ų14375.9 Ų75.966%0.66240%0.396SS*.THydrogen-bonded Turntrans-58.5139-179-65.9-71.3000112.1L97 D101L97-H99 PolarHBondContact O-N 2.69Å; H99-D101 PolarHBondContact O-N 2.88Å
100A84.3Confident85.7Confident100 Ų10072 Ų7283%0.82638%0.382SS*.THydrogen-bonded Turntrans60.314-177.300000115.4N77N77-A100 PolarHBondContact OD1-N 3.2Å
101D87.6Confident86.1Confident40 Ų4070 Ų7021%0.21437%0.371CS..  trans-99160.9171.8-16110.2000111.1N77 P78 R98 H99 K169N77-D101 PolarHBondContact N-O 3.11Å; P78-D101 WeakPolarHBondContact CD-O 3.48Å; P78-D101 HydrophobicContact CG-CB 4.47Å; R98-D101 HydrophobicContact CB-CB 3.84Å; R98-D101 IonicContact CZ-OD2 3.75Å; R98-D101 IonicContact NE-OD2 2.89Å; R98-D101 IonicContact NH1-OD2 3.55Å; R98-D101 PolarHBondContact NH1-OD2 3.36Å; R98-D101 WeakPolarHBondContact O-CB 2.98Å; R98-D101 PolarHBondContact O-N 3.29Å; H99-D101 PolarHBondContact O-N 2.88Å; D101-K169 VanDerWaalsContact CG-NZ 3.28Å; D101-K169 IonicContact OD1-NZ 2.82Å; D101-K169 PolarHBondContact OD1-NZ 3.19Å; D101-K169 IonicContact OD2-NZ 2.71Å; D101-K169 PolarHBondContact OD2-NZ 3.06Å; D101-K169 VanDerWaalsContact OD2-NZ 3.08Å
102L88.6Confident86.7Confident48 Ų4860.6 Ų60.625%0.25133%0.328SS..EExtended strand (participates in β ladder)trans-117.8141.9175.5-59.4179.2000110V74 V75 K169V74-L102 HydrophobicContact CG1-CB 4.16Å; V74-L102 HydrophobicContact CG1-CD1 4.42Å; V74-L102 HydrophobicContact CG1-CD2 4.29Å; V75-L102 WeakPolarHBondContact O-CA 2.73Å; L102-K169 HydrophobicContact CB-CB 4.15Å; L102-K169 HydrophobicContact CB-CD 4.43Å; L102-K169 WeakPolarHBondContact O-CD 3.49Å
103E88.9Confident87.5Confident25 Ų2557.9 Ų57.912%0.11731%0.308CS..EExtended strand (participates in β ladder)trans-123.6121.5171.1-173-171.4-176.600109.6V75 P78 R81 R105 R108V75-E103 PolarHBondContact N-O 2.89Å; V75-E103 PolarHBondContact O-N 3.17Å; P78-E103 HydrophobicContact CB-CB 3.54Å; P78-E103 HydrophobicContact CB-CG 4.41Å; P78-E103 VanDerWaalsContact CB-OE2 3.3Å; P78-E103 WeakPolarHBondContact CB-OE2 3.19Å; P78-E103 HydrophobicContact CG-CB 3.74Å; R81-E103 IonicContact CZ-OE1 3.27Å; R81-E103 IonicContact NH1-OE1 3.22Å; R81-E103 PolarHBondContact NH1-OE1 3.3Å; R81-E103 IonicContact NH1-OE2 2.87Å; E103-R105 HydrophobicContact CG-CG 4.15Å; E103-R105 PolarHBondContact O-N 3.39Å; E103-R105 IonicContact OE1-NE 2.97Å; E103-R105 IonicContact OE2-CZ 2.63Å; E103-R105 IonicContact OE2-NE 3.35Å; E103-R105 PolarHBondContact OE2-NE 3.02Å; E103-R105 IonicContact OE2-NH2 2.71Å; E103-R105 PolarHBondContact OE2-NH2 2.93Å; E103-R108 IonicContact OE1-NH1 2.96Å
104I90.1Very high88.2Confident37 Ų3758.1 Ų58.119%0.1930%0.298CS..EExtended strand (participates in β ladder)trans-81.8115.2168.5-66.3116000108.3Y72 C73 V74 L106 P167 K169Y72-I104 HydrophobicContact CD2-CG2 3.82Å; Y72-I104 HydrophobicContact CG-CG2 4.28Å; C73-I104 WeakPolarHBondContact O-CA 2.88Å; V74-I104 HydrophobicContact CG2-CG1 4.1Å; I104-L106 HydrophobicContact CG2-CD2 4.28Å; I104-P167 WeakPolarHBondContact CD1-O 3.39Å; I104-K169 HydrophobicContact CD1-CB 4.01Å; I104-K169 VanDerWaalsContact CD1-N 3.29Å
105R89.6Confident88.4Confident2 Ų255.1 Ų55.11%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-99.6114175.7-63.6-173.3178.1164.17.1109.3Y72 C73 V75 E103 F111 E117Y72-R105 VanDerWaalsContact CA-O 3.32Å; Y72-R105 WeakPolarHBondContact CA-O 2.93Å; C73-R105 PolarHBondContact N-O 3.37Å; C73-R105 PolarHBondContact O-N 3.39Å; V75-R105 HydrophobicContact CG2-CG 4.32Å; E103-R105 HydrophobicContact CG-CG 4.15Å; E103-R105 PolarHBondContact O-N 3.39Å; E103-R105 IonicContact OE1-NE 2.97Å; E103-R105 IonicContact OE2-CZ 2.63Å; E103-R105 IonicContact OE2-NE 3.35Å; E103-R105 PolarHBondContact OE2-NE 3.02Å; E103-R105 IonicContact OE2-NH2 2.71Å; E103-R105 PolarHBondContact OE2-NH2 2.93Å; R105-F111 HydrophobicContact CB-CE1 4.37Å; R105-F111 HydrophobicContact CB-CZ 4.24Å; R105-F111 HydrophobicContact CG-CZ 4.4Å; R105-E117 IonicContact CZ-OE1 3.43Å; R105-E117 IonicContact NH1-OE1 2.75Å; R105-E117 IonicContact NH1-OE2 3.73Å; R105-E117 IonicContact NH2-OE1 3.36Å; R105-E117 PolarHBondContact NH2-OE1 2.83Å; R105-E117 IonicContact NH2-OE2 3.49Å
106L90.6Very high88.5Confident65 Ų6556.6 Ų56.634%0.3430%0.302SS..  trans-78.1-176.5169.5-57.6179000110.8I104 R108 L126 I166I104-L106 HydrophobicContact CG2-CD2 4.28Å; L106-R108 PolarHBondContact O-N 2.97Å; L106-L126 HydrophobicContact CD2-CD2 4.32Å; L106-I166 HydrophobicContact CD1-CG2 4.41Å; L106-I166 HydrophobicContact CD2-CG2 4.19Å
107T89.9Confident88.6Confident72 Ų7251.1 Ų51.144%0.44228%0.278SS..SBendtrans-49.7121.2176.9-490000112.3V67 P68 P69V67-T107 WeakPolarHBondContact O-CA 3.3Å; P68-T107 PolarHBondContact O-OG1 3.25Å; P69-T107 VanDerWaalsContact CA-OG1 3.24Å; P69-T107 WeakPolarHBondContact CA-OG1 2.9Å; P69-T107 HydrophobicContact CB-CG2 4.5Å; P69-T107 HydrophobicContact CG-CG2 4.13Å
108R86Confident88.6Confident92 Ų9256.1 Ų56.135%0.34730%0.3SS..EExtended strand (participates in β ladder)trans-158.8173178.564.5-178.868.1-179.3-1.4110.4E103 L106 F111E103-R108 IonicContact OE1-NH1 2.96Å; L106-R108 PolarHBondContact O-N 2.97Å; R108-F111 HydrophobicContact CG-CD1 3.78Å; R108-F111 HydrophobicContact CG-CE1 3.95Å
109D85.5Confident88.6Confident142 Ų14254.3 Ų54.376%0.75930%0.297SS*.EExtended strand (participates in β ladder)trans-60149.9175.1-68.7-26.6000111.8F111D109-F111 PolarHBondContact O-N 2.65Å
110P90Very high88.8Confident33 Ų3353.2 Ų53.221%0.21429%0.293CS..EExtended strand (participates in β ladder)trans-54124.7-179.5-25.734.3000111.7M64 I65 M66M64-P110 HydrophobicContact CB-CB 3.88Å; M64-P110 HydrophobicContact SD-CB 4.34Å; M64-P110 VanDerWaalsContact SD-O 3.39Å; I65-P110 WeakPolarHBondContact O-CA 3.41Å; M66-P110 HydrophobicContact CB-CG 4.49Å; M66-P110 HydrophobicContact CE-CG 4.03Å; M66-P110 HydrophobicContact CG-CG 4.43Å
111F90.6Very high89Confident20 Ų2051.9 Ų51.99%0.08827%0.269CS..EExtended strand (participates in β ladder)trans-118.7144.7-176.359.4-92.8000111.7M64 I65 V67 V75 R105 R108 D109 L113M64-F111 WeakPolarHBondContact CA-O 3.39Å; M64-F111 WeakPolarHBondContact CB-O 2.84Å; I65-F111 HydrophobicContact CB-CD2 4.31Å; I65-F111 HydrophobicContact CB-CE1 4.27Å; I65-F111 HydrophobicContact CB-CE2 3.77Å; I65-F111 HydrophobicContact CB-CZ 3.75Å; I65-F111 HydrophobicContact CD1-CD2 4.5Å; I65-F111 HydrophobicContact CD1-CE2 3.73Å; I65-F111 HydrophobicContact CD1-CZ 4.29Å; I65-F111 HydrophobicContact CG1-CE2 4.36Å; I65-F111 HydrophobicContact CG2-CE1 4.13Å; I65-F111 HydrophobicContact CG2-CE2 4.13Å; I65-F111 HydrophobicContact CG2-CZ 3.62Å; I65-F111 PolarHBondContact N-O 3.08Å; I65-F111 PolarHBondContact O-N 3.43Å; I65-F111 VanDerWaalsContact O-N 3.15Å; V67-F111 HydrophobicContact CG2-CE1 3.96Å; V67-F111 HydrophobicContact CG2-CZ 4.33Å; V75-F111 HydrophobicContact CG2-CE2 4.46Å; R105-F111 HydrophobicContact CB-CE1 4.37Å; R105-F111 HydrophobicContact CB-CZ 4.24Å; R105-F111 HydrophobicContact CG-CZ 4.4Å; R108-F111 HydrophobicContact CG-CD1 3.78Å; R108-F111 HydrophobicContact CG-CE1 3.95Å; D109-F111 PolarHBondContact O-N 2.65Å; F111-L113 HydrophobicContact CE2-CD2 4.34Å
112P90.5Very high89Confident13 Ų1355.4 Ų55.48%0.08429%0.288CS..PPolyproline II helixtrans-77.4160.6169.734.5-34.5000110.8Y29 V42 I44 M64 Y114Y29-P112 HydrophobicContact CD1-CB 3.52Å; Y29-P112 HydrophobicContact CD2-CB 3.85Å; Y29-P112 HydrophobicContact CE1-CB 4.03Å; Y29-P112 HydrophobicContact CE2-CB 4.31Å; Y29-P112 HydrophobicContact CG-CB 3.42Å; Y29-P112 VanDerWaalsContact CG-CB 3.42Å; V42-P112 HydrophobicContact CG2-CB 4.02Å; V42-P112 HydrophobicContact CG2-CG 4.34Å; I44-P112 HydrophobicContact CD1-CG 3.82Å; I44-P112 HydrophobicContact CG1-CG 4.1Å; M64-P112 HydrophobicContact CE-CB 4.09Å; M64-P112 HydrophobicContact CE-CG 4.1Å; M64-P112 HydrophobicContact CG-CB 4.29Å; P112-Y114 HydrophobicContact CG-CE2 4.47Å
113L90.6Very high89.1Confident18 Ų1855.9 Ų55.99%0.09429%0.293CS..PPolyproline II helixtrans-88.2132.4162.6-63.2177.3000108.9Y29 H31 I65 V75 F111 E117Y29-L113 HydrophobicContact CE2-CB 4.44Å; Y29-L113 WeakPolarHBondContact CE2-O 3.18Å; Y29-L113 WeakPolarHBondContact OH-CB 3.39Å; H31-L113 PolarHBondContact CE1-O 2.87Å; H31-L113 PolarHBondContact NE2-O 2.87Å; I65-L113 HydrophobicContact CD1-CD1 3.85Å; I65-L113 HydrophobicContact CD1-CD2 3.45Å; I65-L113 VanDerWaalsContact CD1-CD2 3.45Å; I65-L113 HydrophobicContact CD1-CG 3.55Å; V75-L113 HydrophobicContact CG1-CD2 4.2Å; V75-L113 HydrophobicContact CG2-CD2 4.44Å; F111-L113 HydrophobicContact CE2-CD2 4.34Å; L113-E117 WeakPolarHBondContact CA-OE2 3.46Å; L113-E117 HydrophobicContact CB-CB 4.14Å; L113-E117 HydrophobicContact CD2-CB 4.1Å
114Y90.4Very high89.1Confident41 Ų4156.6 Ų56.616%0.16130%0.299CS..PPolyproline II helixtrans-76.3158.4173-75.3-102.4000110.9V42 V79 V87 A95 P112 G116 E117V42-Y114 HydrophobicContact CB-CD1 4.49Å; V42-Y114 HydrophobicContact CG1-CD1 3.56Å; V42-Y114 HydrophobicContact CG1-CE1 3.39Å; V42-Y114 HydrophobicContact CG1-CG 4.27Å; V79-Y114 VanDerWaalsContact CG1-CB 3.48Å; V79-Y114 HydrophobicContact CG1-CD1 4.19Å; V79-Y114 HydrophobicContact CG1-CD2 3.61Å; V79-Y114 HydrophobicContact CG1-CE2 4.41Å; V79-Y114 HydrophobicContact CG1-CG 3.49Å; V79-Y114 VanDerWaalsContact CG1-CG 3.49Å; V79-Y114 HydrophobicContact CG2-CD2 4.39Å; V87-Y114 HydrophobicContact CB-CE1 4.38Å; V87-Y114 HydrophobicContact CG1-CD1 4.38Å; V87-Y114 HydrophobicContact CG1-CE1 4.01Å; V87-Y114 HydrophobicContact CG2-CE1 4.23Å; V87-Y114 HydrophobicContact CG2-CE2 3.96Å; V87-Y114 WeakPolarHBondContact CG2-OH 3.29Å; A95-Y114 HydrophobicContact CB-CD1 3.79Å; A95-Y114 HydrophobicContact CB-CG 4.45Å; P112-Y114 HydrophobicContact CG-CE2 4.47Å; Y114-G116 PolarHBondContact O-N 2.96Å; Y114-E117 PolarHBondContact N-OE2 2.57Å; Y114-E117 WeakPolarHBondContact O-CB 3.05Å; Y114-E117 PolarHBondContact O-N 3.18Å
115P88.4Confident89.1Confident15 Ų1558.6 Ų58.610%0.09732%0.315CS..THydrogen-bonded Turntrans-53.8116.7176.3-26.235000111.6H31 A40H31-P115 HydrophobicContact CB-CG 4.46Å; H31-P115 VanDerWaalsContact CE1-CA 3.44Å; H31-P115 WeakPolarHBondContact CE1-CA 3.35Å; H31-P115 VanDerWaalsContact CE1-N 3.35Å; A40-P115 HydrophobicContact CB-CB 3.86Å; A40-P115 HydrophobicContact CB-CG 3.96Å
116G86.3Confident89.2Confident41 Ų4159.8 Ų59.842%0.42332%0.321SS..THydrogen-bonded Turntrans96.3-9.7-177.700000115.7N77 Y114N77-G116 WeakPolarHBondContact CB-O 3.36Å; Y114-G116 PolarHBondContact O-N 2.96Å
117E91Very high89.1Confident9 Ų960.4 Ų60.44%0.04232%0.322CS..  trans-75.7137.6164.2-68-167.3135.100110.3V75 N77 P78 V79 L97 R105 L113 Y114V75-E117 HydrophobicContact CG1-CB 4.1Å; V75-E117 HydrophobicContact CG1-CG 4.37Å; N77-E117 WeakPolarHBondContact O-CG 3.47Å; P78-E117 WeakPolarHBondContact CA-OE1 3.34Å; V79-E117 HydrophobicContact CG1-CG 4.15Å; V79-E117 WeakPolarHBondContact CG2-OE1 3.11Å; V79-E117 PolarHBondContact N-OE1 3.13Å; L97-E117 HydrophobicContact CD2-CG 4.08Å; R105-E117 IonicContact CZ-OE1 3.43Å; R105-E117 IonicContact NH1-OE1 2.75Å; R105-E117 IonicContact NH1-OE2 3.73Å; R105-E117 IonicContact NH2-OE1 3.36Å; R105-E117 PolarHBondContact NH2-OE1 2.83Å; R105-E117 IonicContact NH2-OE2 3.49Å; L113-E117 WeakPolarHBondContact CA-OE2 3.46Å; L113-E117 HydrophobicContact CB-CB 4.14Å; L113-E117 HydrophobicContact CD2-CB 4.1Å; Y114-E117 PolarHBondContact N-OE2 2.57Å; Y114-E117 WeakPolarHBondContact O-CB 3.05Å; Y114-E117 PolarHBondContact O-N 3.18Å
118E88.3Confident89.1Confident125 Ų12561.6 Ų61.658%0.58433%0.325SS*.EExtended strand (participates in β ladder)trans-129.6148.7176.2-69.7179-177.700110.6V75 S76 Q120V75-E118 CarbonylContact C-O 3.51Å; V75-E118 WeakPolarHBondContact CA-O 3.21Å; S76-E118 PolarHBondContact N-O 2.94Å; S76-E118 PolarHBondContact O-N 2.75Å; S76-E118 VanDerWaalsContact O-N 3.09Å; S76-E118 WeakPolarHBondContact OG-CB 3.36Å; S76-E118 PolarHBondContact OG-O 3.39Å; S76-E118 VanDerWaalsContact OG-O 3.11Å; E118-Q120 PolarHBondContact O-N 3.5Å
119I89.2Confident89.4Confident59 Ų5957.4 Ų57.430%0.30331%0.309SS..EExtended strand (participates in β ladder)trans-87.3109.5174.8-160.8169.6000109.4I65 C73I65-I119 HydrophobicContact CD1-CD1 3.89Å; I65-I119 HydrophobicContact CG1-CD1 4.33Å; I65-I119 HydrophobicContact CG2-CD1 4.43Å; C73-I119 HydrophobicContact CB-CD1 4.33Å
120Q89.3Confident89.6Confident120 Ų12058.1 Ų58.156%0.56130%0.302SS*.EExtended strand (participates in β ladder)trans-80.1-42.6178.9-169.8-175.934.600111.4V74 E118V74-Q120 HydrophobicContact CB-CB 4.5Å; V74-Q120 HydrophobicContact CG1-CB 4.35Å; V74-Q120 PolarHBondContact O-N 2.98Å; E118-Q120 PolarHBondContact O-N 3.5Å
121Q87Confident89.4Confident72 Ų7260.2 Ų60.234%0.33632%0.316SS..EExtended strand (participates in β ladder)trans-127121.7176.8-167.1175.8500109.9Y72 C73 V74 T124Y72-Q121 PolarHBondContact OH-NE2 2.94Å; Y72-Q121 PolarHBondContact OH-OE1 3.49Å; C73-Q121 WeakPolarHBondContact CA-O 3.46Å; C73-Q121 WeakPolarHBondContact CB-O 3.42Å; V74-Q121 HydrophobicContact CB-CB 3.8Å; V74-Q121 HydrophobicContact CG2-CB 3.85Å; V74-Q121 PolarHBondContact N-O 3.1Å; V74-Q121 VanDerWaalsContact N-O 3.1Å; V74-Q121 PolarHBondContact O-N 3.4Å; V74-Q121 VanDerWaalsContact O-N 3.16Å; Q121-T124 PolarHBondContact NE2-OG1 3.42Å
122N88.9Confident89.3Confident115 Ų11564.1 Ų64.162%0.61534%0.338SS*.EExtended strand (participates in β ladder)trans-60.6164.3174.2-71.2-34.3000111.4T124N122-T124 PolarHBondContact O-N 3.01Å; N122-T124 PolarHBondContact O-OG1 3.01Å
123V90.3Very high89.4Confident58 Ų5864.6 Ų64.635%0.35234%0.341SS..EExtended strand (participates in β ladder)trans-50.4112.9179.6-178.60000111I65 P68 H71 Y72 C73I65-V123 HydrophobicContact CG2-CG2 4.45Å; P68-V123 VanDerWaalsContact CD-CG1 3.46Å; P68-V123 HydrophobicContact CG-CG1 4.37Å; H71-V123 HydrophobicContact CB-CG1 3.72Å; Y72-V123 CarbonylContact O-C 3.42Å; Y72-V123 WeakPolarHBondContact O-CA 3.19Å; C73-V123 HydrophobicContact CB-CG2 4.44Å
124T88.4Confident89.4Confident39 Ų3963.7 Ų63.724%0.23934%0.336CS..EExtended strand (participates in β ladder)trans-124.9139.1-173.7-58.60000109.5H71 Y72 Q121 N122H71-T124 CarbonylContact C-O 3.37Å; H71-T124 WeakPolarHBondContact CA-O 3.42Å; H71-T124 WeakPolarHBondContact CB-O 3.4Å; Y72-T124 VanDerWaalsContact CD1-O 3.28Å; Y72-T124 WeakPolarHBondContact CD1-O 3.39Å; Y72-T124 HydrophobicContact CE1-CG2 3.98Å; Y72-T124 PolarHBondContact N-O 2.85Å; Y72-T124 PolarHBondContact O-N 3.28Å; Q121-T124 PolarHBondContact NE2-OG1 3.42Å; N122-T124 PolarHBondContact O-N 3.01Å; N122-T124 PolarHBondContact O-OG1 3.01Å
125P90.8Very high89.5Confident80 Ų8061.9 Ų61.952%0.51933%0.329SS..EExtended strand (participates in β ladder)trans-66.5144.5176.427.2-34.9000111.8
126L90.6Very high89.6Confident27 Ų2762.7 Ų62.714%0.14133%0.33CS..PPolyproline II helixtrans-65.9143.2172.6-66.3172.6000110.7R70 Y72 L106 I128 T164 P167R70-L126 PolarHBondContact O-N 3.33Å; Y72-L126 HydrophobicContact CD1-CD2 3.68Å; Y72-L126 HydrophobicContact CD1-CG 4.43Å; Y72-L126 HydrophobicContact CE1-CD2 4.48Å; Y72-L126 HydrophobicContact CG-CD2 4.2Å; L106-L126 HydrophobicContact CD2-CD2 4.32Å; L126-I128 PolarHBondContact O-N 2.79Å; L126-T164 HydrophobicContact CB-CG2 3.43Å; L126-T164 VanDerWaalsContact CB-CG2 3.43Å; L126-T164 HydrophobicContact CD1-CG2 3.9Å; L126-T164 HydrophobicContact CG-CG2 4.28Å; L126-P167 HydrophobicContact CD2-CG 4.48Å
127Q89.4Confident89.9Confident77 Ų7760.9 Ų60.936%0.3631%0.311SS..EExtended strand (participates in β ladder)trans-78.8121.5-175.9-174.21691.800111.2L135 Y165Q127-L135 HydrophobicContact CG-CD1 4.19Å; Q127-L135 VanDerWaalsContact NE2-CD2 3.26Å; Q127-Y165 PolarHBondContact O-N 3.02Å
128I90.2Very high89.9Confident97 Ų9762.9 Ų62.950%0.49732%0.32SS..EExtended strand (participates in β ladder)trans-89.9128.7175.6-56.9172.2000109L126L126-I128 PolarHBondContact O-N 2.79Å
129V91.7Very high90Very high4 Ų457 Ų572%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-107.5121.1177.6-170.90000108.2T133 L135 F159 P162 G163V129-T133 WeakPolarHBondContact CG1-O 3.14Å; V129-L135 HydrophobicContact CG1-CG 4.45Å; V129-L135 HydrophobicContact CG2-CD1 3.46Å; V129-L135 VanDerWaalsContact CG2-CD1 3.46Å; V129-L135 HydrophobicContact CG2-CD2 4.28Å; V129-L135 HydrophobicContact CG2-CG 3.57Å; V129-F159 HydrophobicContact CB-CD1 4.2Å; V129-F159 HydrophobicContact CB-CE1 4.12Å; V129-F159 HydrophobicContact CG1-CD1 4.5Å; V129-F159 HydrophobicContact CG2-CD1 3.73Å; V129-F159 HydrophobicContact CG2-CE1 3.79Å; V129-P162 WeakPolarHBondContact O-CA 3.36Å; V129-G163 PolarHBondContact N-O 2.92Å; V129-G163 PolarHBondContact O-N 3.35Å; V129-G163 VanDerWaalsContact O-N 3.1Å
130Y89Confident89.9Confident157 Ų15759.2 Ų59.262%0.61631%0.305SS*.  trans-82.2162.2-175.7-66.8-79.4000111.4T133Y130-T133 PolarHBondContact N-OG1 2.81Å; Y130-T133 VanDerWaalsContact N-OG1 3.11Å; Y130-T133 PolarHBondContact O-N 3.15Å; Y130-T133 PolarHBondContact O-OG1 3.45Å
131P87.6Confident89.7Confident78 Ų7857.6 Ų57.651%0.50630%0.3SS..THydrogen-bonded Turntrans-52.4149.3167-23.133.8000111.5T133 P162P131-T133 PolarHBondContact O-N 3.28Å; P131-T133 VanDerWaalsContact O-N 3.11Å; P131-P162 HydrophobicContact CG-CB 4.13Å; P131-P162 HydrophobicContact CG-CG 4.42Å
132D88.1Confident89.8Confident102 Ų10259.4 Ų59.455%0.54531%0.312SS..THydrogen-bonded Turntrans58.717.1-176.2-56.7-36.7000115.1A179D132-A179 HydrophobicContact CB-CB 3.92Å; D132-A179 PolarHBondContact O-N 3.17Å
133T91Very high89.8Confident22 Ų2255.1 Ų55.114%0.13529%0.288CS..EExtended strand (participates in β ladder)trans-128.1150.2171.271.10000110.9V129 Y130 P131 G161 I177 K178V129-T133 WeakPolarHBondContact CG1-O 3.14Å; Y130-T133 PolarHBondContact N-OG1 2.81Å; Y130-T133 VanDerWaalsContact N-OG1 3.11Å; Y130-T133 PolarHBondContact O-N 3.15Å; Y130-T133 PolarHBondContact O-OG1 3.45Å; P131-T133 PolarHBondContact O-N 3.28Å; P131-T133 VanDerWaalsContact O-N 3.11Å; T133-G161 PolarHBondContact O-N 3.28Å; T133-I177 CarbonylContact C-O 3.58Å; T133-I177 VanDerWaalsContact CA-O 3.25Å; T133-I177 WeakPolarHBondContact CA-O 3.43Å; T133-K178 HydrophobicContact CG2-CG 4.26Å
134A92.3Very high89.7Confident0 Ų057.6 Ų57.60%030%0.295CS..EExtended strand (participates in β ladder)trans-138.7150.2173.600000111L158 F159 E160 T176 I177 L219A134-L158 HydrophobicContact CB-CB 4.13Å; A134-L158 HydrophobicContact CB-CD1 4.34Å; A134-L158 HydrophobicContact CB-CD2 4.35Å; A134-L158 HydrophobicContact CB-CG 4.5Å; A134-F159 CarbonylContact C-O 3.45Å; A134-F159 VanDerWaalsContact CA-O 3.22Å; A134-F159 WeakPolarHBondContact CA-O 3.15Å; A134-F159 WeakPolarHBondContact CB-O 3.4Å; A134-E160 HydrophobicContact CB-CG 4.34Å; A134-T176 CarbonylContact O-C 3.6Å; A134-T176 WeakPolarHBondContact O-CA 3.34Å; A134-I177 PolarHBondContact N-O 2.97Å; A134-I177 PolarHBondContact O-N 3.1Å; A134-L219 HydrophobicContact CB-CD1 4.42Å; A134-L219 HydrophobicContact CB-CD2 4.02Å
135L91.9Very high89.2Confident2 Ų257.4 Ų57.41%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-91.4125167.5-58.7178.7000108.8Q127 V129 L137 L158 F159 Y165 V173 T176Q127-L135 HydrophobicContact CG-CD1 4.19Å; Q127-L135 VanDerWaalsContact NE2-CD2 3.26Å; V129-L135 HydrophobicContact CG1-CG 4.45Å; V129-L135 HydrophobicContact CG2-CD1 3.46Å; V129-L135 VanDerWaalsContact CG2-CD1 3.46Å; V129-L135 HydrophobicContact CG2-CD2 4.28Å; V129-L135 HydrophobicContact CG2-CG 3.57Å; L135-L137 HydrophobicContact CB-CD2 4.09Å; L135-L137 HydrophobicContact CB-CG 4.5Å; L135-L137 PolarHBondContact O-N 2.81Å; L135-L158 CarbonylContact O-C 3.59Å; L135-L158 WeakPolarHBondContact O-CA 3.38Å; L135-F159 HydrophobicContact CB-CB 4.34Å; L135-F159 PolarHBondContact N-O 3.4Å; L135-F159 PolarHBondContact O-N 3.11Å; L135-Y165 HydrophobicContact CD1-CD1 4.1Å; L135-Y165 HydrophobicContact CD1-CG 3.91Å; L135-V173 HydrophobicContact CB-CG1 4.24Å; L135-V173 HydrophobicContact CD1-CG1 4.42Å; L135-V173 HydrophobicContact CD2-CG1 4.18Å; L135-T176 HydrophobicContact CD2-CG2 4.17Å; L135-T176 WeakPolarHBondContact CD2-OG1 3.4Å
136R91.1Very high88.3Confident32 Ų3261.2 Ų61.212%0.12130%0.303CS..EExtended strand (participates in β ladder)trans-79.8115166.9-169.517570.1-154.3-10.4108.5L158 L174 E175 I177R136-L158 HydrophobicContact CB-CD2 3.98Å; R136-L158 HydrophobicContact CG-CD2 4.19Å; R136-L174 HydrophobicContact CB-CB 4.49Å; R136-L174 HydrophobicContact CG-CD1 4.35Å; R136-L174 WeakPolarHBondContact O-CB 3.23Å; R136-L174 PolarHBondContact O-N 2.95Å; R136-E175 HydrophobicContact CB-CG 4.24Å; R136-E175 IonicContact CZ-OE1 3.74Å; R136-E175 PolarHBondContact N-O 3.39Å; R136-E175 IonicContact NE-OE1 2.95Å; R136-E175 IonicContact NH1-OE1 3.66Å; R136-E175 PolarHBondContact NH1-OE1 3.24Å; R136-E175 VanDerWaalsContact NH2-CD 3.33Å; R136-E175 IonicContact NH2-OE1 3.33Å; R136-E175 PolarHBondContact NH2-OE1 2.7Å; R136-I177 HydrophobicContact CB-CD1 4.07Å
137L91.5Very high87.2Confident4 Ų462.8 Ų62.82%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-102.9148.4-179.2-59.2-178.4000109.6L135 E156 W157 F159 Y165 V171 V172 V173L135-L137 HydrophobicContact CB-CD2 4.09Å; L135-L137 HydrophobicContact CB-CG 4.5Å; L135-L137 PolarHBondContact O-N 2.81Å; L137-E156 CarbonylContact O-C 3.55Å; L137-E156 WeakPolarHBondContact O-CA 3.36Å; L137-W157 HydrophobicContact CB-CD2 4.12Å; L137-W157 HydrophobicContact CB-CZ2 4.01Å; L137-W157 HydrophobicContact CD1-CZ2 4.27Å; L137-W157 PolarHBondContact N-O 3.26Å; L137-W157 PolarHBondContact O-N 3.24Å; L137-F159 HydrophobicContact CD1-CB 3.79Å; L137-F159 HydrophobicContact CG-CB 4.36Å; L137-Y165 HydrophobicContact CD1-CD2 4.17Å; L137-Y165 HydrophobicContact CD1-CE2 3.48Å; L137-Y165 VanDerWaalsContact CD1-CE2 3.48Å; L137-Y165 HydrophobicContact CD2-CE1 4.27Å; L137-Y165 HydrophobicContact CD2-CE2 3.86Å; L137-Y165 HydrophobicContact CG-CE2 4.34Å; L137-V171 HydrophobicContact CB-CG1 3.77Å; L137-V171 HydrophobicContact CD1-CG1 4.29Å; L137-V171 HydrophobicContact CD2-CG1 4.21Å; L137-V171 HydrophobicContact CG-CG1 4.3Å; L137-V172 WeakPolarHBondContact CA-O 3.37Å; L137-V173 HydrophobicContact CD2-CB 4.26Å; L137-V173 HydrophobicContact CD2-CG1 4.41Å; L137-V173 HydrophobicContact CD2-CG2 3.69Å
138Q91.2Very high86.5Confident51 Ų5169 Ų6924%0.23835%0.347CS..EExtended strand (participates in β ladder)trans-132.6135.5173.3-177.4177.443.100110.7D155 E156 V171 V172 L174Q138-D155 CarbonylContact C-O 3.54Å; Q138-D155 VanDerWaalsContact CA-O 3.29Å; Q138-D155 WeakPolarHBondContact CA-O 3.12Å; Q138-E156 HydrophobicContact CB-CG 4.34Å; Q138-E156 HydrophobicContact CG-CG 4.25Å; Q138-V171 WeakPolarHBondContact O-CA 3.21Å; Q138-V172 HydrophobicContact CB-CG1 3.91Å; Q138-V172 PolarHBondContact N-O 3.38Å; Q138-V172 PolarHBondContact O-N 3.26Å; Q138-L174 HydrophobicContact CB-CD1 3.88Å; Q138-L174 HydrophobicContact CB-CD2 4.42Å; Q138-L174 HydrophobicContact CB-CG 4Å
139A90.5Very high86Confident1 Ų167.8 Ų67.81%0.00834%0.343CS..EExtended strand (participates in β ladder)trans-75.3127.9172.800000110.7F143 R151 V152 G154 D155 W157 E170A139-F143 HydrophobicContact CB-CD1 4.44Å; A139-F143 HydrophobicContact CB-CE1 3.91Å; A139-R151 HydrophobicContact CB-CB 4.32Å; A139-V152 WeakPolarHBondContact CB-O 3.36Å; A139-G154 PolarHBondContact O-N 2.85Å; A139-D155 PolarHBondContact N-O 2.75Å; A139-W157 HydrophobicContact CB-CH2 4.04Å; A139-W157 HydrophobicContact CB-CZ3 3.82Å; A139-E170 CarbonylContact C-O 3.51Å; A139-E170 WeakPolarHBondContact CA-O 3.39Å
140L87.6Confident85.7Confident106 Ų10675.6 Ų75.656%0.55538%0.377SS*.SBendtrans-82.9-31174.4-67.8176.9000112.4E170 V172L140-E170 PolarHBondContact N-O 3.49Å; L140-V172 HydrophobicContact CD1-CB 4.36Å; L140-V172 HydrophobicContact CD2-CB 4.24Å; L140-V172 HydrophobicContact CD2-CG1 3.92Å; L140-V172 HydrophobicContact CG-CB 4.27Å; L140-V172 HydrophobicContact CG-CG1 4.29Å
141L85.8Confident85.6Confident86 Ų8670.5 Ų70.545%0.4536%0.356SS..SBendtrans-146.5164.2-177.158.797.2000110.1F143 E170L141-F143 HydrophobicContact CD1-CB 4.5Å; L141-F143 WeakPolarHBondContact O-CD1 3.15Å; L141-F143 PolarHBondContact O-N 2.83Å; L141-E170 HydrophobicContact CD1-CB 4.04Å; L141-E170 HydrophobicContact CD1-CG 3.59Å; L141-E170 HydrophobicContact CD2-CG 4.48Å; L141-E170 HydrophobicContact CG-CB 4.07Å; L141-E170 HydrophobicContact CG-CG 4.08Å
142D88.7Confident85.6Confident110 Ų11070.6 Ų70.659%0.58836%0.355SS*.  trans-69.7123.2-179-65.40.6000110.3R151 V152 A153D142-R151 WeakPolarHBondContact CA-O 3.5Å; D142-V152 WeakPolarHBondContact OD1-CA 3.33Å; D142-A153 PolarHBondContact OD1-N 3.35Å
143F88.5Confident85.5Confident25 Ų2568.1 Ų68.111%0.1135%0.349CS..EExtended strand (participates in β ladder)trans-148.9162.9177.578.2-80000112A139 L141 D145 R151 W157 E170 V171A139-F143 HydrophobicContact CB-CD1 4.44Å; A139-F143 HydrophobicContact CB-CE1 3.91Å; L141-F143 HydrophobicContact CD1-CB 4.5Å; L141-F143 WeakPolarHBondContact O-CD1 3.15Å; L141-F143 PolarHBondContact O-N 2.83Å; F143-D145 HydrophobicContact CE2-CB 4.07Å; F143-R151 HydrophobicContact CD1-CB 4.08Å; F143-R151 HydrophobicContact CE1-CB 3.79Å; F143-R151 HydrophobicContact CE1-CG 4.08Å; F143-R151 HydrophobicContact CZ-CB 4.2Å; F143-R151 HydrophobicContact CZ-CG 3.97Å; F143-R151 PolarHBondContact N-O 2.54Å; F143-R151 VanDerWaalsContact N-O 3.11Å; F143-R151 PolarHBondContact O-N 3.17Å; F143-W157 HydrophobicContact CE1-CH2 4.1Å; F143-W157 AromaticContact CZ-CH2 3.97Å; F143-W157 HydrophobicContact CZ-CH2 3.97Å; F143-W157 HydrophobicContact CZ-CZ2 4.28Å; F143-E170 HydrophobicContact CB-CB 4.14Å; F143-E170 HydrophobicContact CB-CG 3.88Å; F143-E170 HydrophobicContact CD1-CB 3.45Å; F143-E170 VanDerWaalsContact CD1-CB 3.45Å; F143-E170 HydrophobicContact CD1-CG 4.16Å; F143-E170 HydrophobicContact CD2-CB 4.35Å; F143-E170 HydrophobicContact CE1-CB 3.87Å; F143-E170 HydrophobicContact CG-CB 3.72Å; F143-E170 HydrophobicContact CG-CG 3.94Å; F143-V171 HydrophobicContact CE1-CG2 3.67Å; F143-V171 HydrophobicContact CE2-CG2 4.33Å; F143-V171 HydrophobicContact CZ-CG2 3.41Å; F143-V171 VanDerWaalsContact CZ-CG2 3.41Å
144E87.1Confident85.2Confident110 Ų11068.8 Ų68.851%0.51436%0.361SS..EExtended strand (participates in β ladder)trans-100.7121.2173.6-167.8170.1169.700109.5R148E144-R148 WeakPolarHBondContact OE1-CA 3.43Å; E144-R148 WeakPolarHBondContact OE1-CB 3.43Å
145D78.9Confident85Confident34 Ų3471.2 Ų71.218%0.18237%0.373CS..  trans-73.7164.9179.1-161.9-4000111.5F143 G147 R148 V149 R168F143-D145 HydrophobicContact CE2-CB 4.07Å; D145-G147 PolarHBondContact O-N 2.89Å; D145-R148 WeakPolarHBondContact O-CA 3.49Å; D145-R148 PolarHBondContact O-N 3.48Å; D145-V149 HydrophobicContact CB-CB 4.45Å; D145-V149 PolarHBondContact N-O 3.26Å; D145-R168 IonicContact OD1-CZ 3.8Å; D145-R168 IonicContact OD1-NH1 3.63Å; D145-R168 PolarHBondContact OD1-NH1 3Å; D145-R168 IonicContact OD1-NH2 2.79Å; D145-R168 PolarHBondContact OD1-NH2 3.41Å
146E70.9Confident84.8Confident160 Ų16073.5 Ų73.575%0.74838%0.384SS*.THydrogen-bonded Turntrans-54.7-26177-84.7167.7-14000112.7R148 R168E146-R148 VanDerWaalsContact C-N 3.29Å; E146-R148 PolarHBondContact O-N 2.97Å; E146-R168 IonicContact OE1-CZ 2.69Å; E146-R168 IonicContact OE1-NE 3.83Å; E146-R168 IonicContact OE1-NH2 3.93Å; E146-R168 PolarHBondContact OE1-NH2 3.44Å; E146-R168 IonicContact OE2-NH2 3.25Å
147G68.9Low84.8Confident60 Ų6073.5 Ų73.562%0.61938%0.384SS*.THydrogen-bonded Turntrans-82.99.9173.500000115.5D145 V149D145-G147 PolarHBondContact O-N 2.89Å; G147-V149 PolarHBondContact O-N 2.92Å
148R74.7Confident84.7Confident209 Ų20974.9 Ų74.979%0.78939%0.391SS*.SBendtrans58.423.8-171.7-57.3-177.4-177.2177.4-0.7114.3E144 D145 E146E144-R148 WeakPolarHBondContact OE1-CA 3.43Å; E144-R148 WeakPolarHBondContact OE1-CB 3.43Å; D145-R148 WeakPolarHBondContact O-CA 3.49Å; D145-R148 PolarHBondContact O-N 3.48Å; E146-R148 VanDerWaalsContact C-N 3.29Å; E146-R148 PolarHBondContact O-N 2.97Å
149V79.6Confident84.7Confident71 Ų7175.3 Ų75.343%0.4339%0.393SS..  trans-85.7117.7174.6-179.40000107.6D145 G147 R151D145-V149 HydrophobicContact CB-CB 4.45Å; D145-V149 PolarHBondContact N-O 3.26Å; G147-V149 PolarHBondContact O-N 2.92Å; V149-R151 PolarHBondContact O-N 2.82Å
150K85.8Confident84.7Confident167 Ų16780 Ų8073%0.72641%0.414SS*.EExtended strand (participates in β ladder)trans-72.3113.5172.1-64.6-173.9178.7-174.20108.8
151R86.1Confident84.8Confident50 Ų5075.9 Ų75.919%0.18940%0.398CS..EExtended strand (participates in β ladder)trans-97.7132175.3-62.2-71-172.6167.64108.4A139 D142 F143 V149 W157A139-R151 HydrophobicContact CB-CB 4.32Å; D142-R151 WeakPolarHBondContact CA-O 3.5Å; F143-R151 HydrophobicContact CD1-CB 4.08Å; F143-R151 HydrophobicContact CE1-CB 3.79Å; F143-R151 HydrophobicContact CE1-CG 4.08Å; F143-R151 HydrophobicContact CZ-CB 4.2Å; F143-R151 HydrophobicContact CZ-CG 3.97Å; F143-R151 PolarHBondContact N-O 2.54Å; F143-R151 VanDerWaalsContact N-O 3.11Å; F143-R151 PolarHBondContact O-N 3.17Å; V149-R151 PolarHBondContact O-N 2.82Å; R151-W157 HydrophobicContact CG-CH2 4.38Å; R151-W157 HydrophobicContact CG-CZ3 4.39Å; R151-W157 VanDerWaalsContact CZ-CD2 3.4Å
152V87.9Confident84.9Confident80 Ų8076.9 Ų76.949%0.48541%0.409SS..PPolyproline II helixtrans-95.3149.2173.9-176.90000109A139 D142 G154 D155A139-V152 WeakPolarHBondContact CB-O 3.36Å; D142-V152 WeakPolarHBondContact OD1-CA 3.33Å; V152-G154 PolarHBondContact O-N 3.31Å; V152-D155 PolarHBondContact N-OD2 2.88Å; V152-D155 VanDerWaalsContact O-CB 3.28Å; V152-D155 WeakPolarHBondContact O-CB 3.44Å; V152-D155 PolarHBondContact O-N 3.46Å
153A86.5Confident85Confident51 Ų5172.8 Ų72.842%0.42139%0.393SS..THydrogen-bonded Turntrans-50.7127.9174.300000111.2D142D142-A153 PolarHBondContact OD1-N 3.35Å
154G84.6Confident85Confident36 Ų3674.7 Ų74.737%0.37141%0.407SS..THydrogen-bonded Turntrans91.4-8-176.900000115.3A139 V152 E156A139-G154 PolarHBondContact O-N 2.85Å; V152-G154 PolarHBondContact O-N 3.31Å; G154-E156 PolarHBondContact O-N 3.39Å
155D86.7Confident85.1Confident50 Ų5070.2 Ų70.227%0.26739%0.385SS..  trans-62.1135.7174.1-79.4-18.7000111.1Q138 A139 V152 W157Q138-D155 CarbonylContact C-O 3.54Å; Q138-D155 VanDerWaalsContact CA-O 3.29Å; Q138-D155 WeakPolarHBondContact CA-O 3.12Å; A139-D155 PolarHBondContact N-O 2.75Å; V152-D155 PolarHBondContact N-OD2 2.88Å; V152-D155 VanDerWaalsContact O-CB 3.28Å; V152-D155 WeakPolarHBondContact O-CB 3.44Å; V152-D155 PolarHBondContact O-N 3.46Å; D155-W157 HydrophobicContact CB-CZ3 4.46Å; D155-W157 VanDerWaalsContact O-CZ3 3.27Å; D155-W157 WeakPolarHBondContact O-CZ3 3.44Å
156E89.3Confident85.6Confident50 Ų5072.4 Ų72.423%0.23440%0.396CS..EExtended strand (participates in β ladder)trans-114.1140.2177.8-56.2178.6165.100111.1L137 Q138 G154 L174 H223L137-E156 CarbonylContact O-C 3.55Å; L137-E156 WeakPolarHBondContact O-CA 3.36Å; Q138-E156 HydrophobicContact CB-CG 4.34Å; Q138-E156 HydrophobicContact CG-CG 4.25Å; G154-E156 PolarHBondContact O-N 3.39Å; E156-L174 HydrophobicContact CG-CD1 4.44Å; E156-H223 IonicContact OE2-CE1 3.68Å; E156-H223 IonicContact OE2-ND1 3.33Å
157W89.4Confident86.5Confident33 Ų3365.9 Ų65.913%0.12537%0.367CS..EExtended strand (participates in β ladder)trans-150.7173.4173.866.499.5000111.4L137 A139 F143 R151 D155 V171L137-W157 HydrophobicContact CB-CD2 4.12Å; L137-W157 HydrophobicContact CB-CZ2 4.01Å; L137-W157 HydrophobicContact CD1-CZ2 4.27Å; L137-W157 PolarHBondContact N-O 3.26Å; L137-W157 PolarHBondContact O-N 3.24Å; A139-W157 HydrophobicContact CB-CH2 4.04Å; A139-W157 HydrophobicContact CB-CZ3 3.82Å; F143-W157 HydrophobicContact CE1-CH2 4.1Å; F143-W157 AromaticContact CZ-CH2 3.97Å; F143-W157 HydrophobicContact CZ-CH2 3.97Å; F143-W157 HydrophobicContact CZ-CZ2 4.28Å; R151-W157 HydrophobicContact CG-CH2 4.38Å; R151-W157 HydrophobicContact CG-CZ3 4.39Å; R151-W157 VanDerWaalsContact CZ-CD2 3.4Å; D155-W157 HydrophobicContact CB-CZ3 4.46Å; D155-W157 VanDerWaalsContact O-CZ3 3.27Å; D155-W157 WeakPolarHBondContact O-CZ3 3.44Å; W157-V171 HydrophobicContact CH2-CG1 3.94Å; W157-V171 HydrophobicContact CH2-CG2 3.86Å; W157-V171 HydrophobicContact CZ2-CG1 3.86Å; W157-V171 HydrophobicContact CZ2-CG2 3.95Å
158L90.6Very high87.4Confident32 Ų3265.8 Ų65.817%0.16835%0.348CS..EExtended strand (participates in β ladder)trans-104.7137.3178.5-59.6-177.4000110.9A134 L135 R136 E160 I177 P220 A222A134-L158 HydrophobicContact CB-CB 4.13Å; A134-L158 HydrophobicContact CB-CD1 4.34Å; A134-L158 HydrophobicContact CB-CD2 4.35Å; A134-L158 HydrophobicContact CB-CG 4.5Å; L135-L158 CarbonylContact O-C 3.59Å; L135-L158 WeakPolarHBondContact O-CA 3.38Å; R136-L158 HydrophobicContact CB-CD2 3.98Å; R136-L158 HydrophobicContact CG-CD2 4.19Å; L158-E160 HydrophobicContact CB-CG 4.22Å; L158-I177 HydrophobicContact CD2-CD1 3.79Å; L158-P220 VanDerWaalsContact CD1-O 3.25Å; L158-P220 WeakPolarHBondContact CD1-O 3.46Å; L158-A222 HydrophobicContact CD2-CB 4.14Å; L158-A222 HydrophobicContact CG-CB 4.07Å
159F91.1Very high87.9Confident61 Ų6159 Ų5927%0.26833%0.325SS..EExtended strand (participates in β ladder)trans-98101.9157.6-179.1-87000107.7V129 A134 L135 L137 Y165V129-F159 HydrophobicContact CB-CD1 4.2Å; V129-F159 HydrophobicContact CB-CE1 4.12Å; V129-F159 HydrophobicContact CG1-CD1 4.5Å; V129-F159 HydrophobicContact CG2-CD1 3.73Å; V129-F159 HydrophobicContact CG2-CE1 3.79Å; A134-F159 CarbonylContact C-O 3.45Å; A134-F159 VanDerWaalsContact CA-O 3.22Å; A134-F159 WeakPolarHBondContact CA-O 3.15Å; A134-F159 WeakPolarHBondContact CB-O 3.4Å; L135-F159 HydrophobicContact CB-CB 4.34Å; L135-F159 PolarHBondContact N-O 3.4Å; L135-F159 PolarHBondContact O-N 3.11Å; L137-F159 HydrophobicContact CD1-CB 3.79Å; L137-F159 HydrophobicContact CG-CB 4.36Å; F159-Y165 HydrophobicContact CD2-CD2 4.11Å; F159-Y165 HydrophobicContact CE2-CD2 4.43Å; F159-Y165 HydrophobicContact CG-CD2 4.16Å
160E90.5Very high88.3Confident99 Ų9957.4 Ų57.446%0.46331%0.312SS..EExtended strand (participates in β ladder)trans-80.7134.3-177.6-59.6-173.4164.600110.9A134 L158 R199 L219A134-E160 HydrophobicContact CB-CG 4.34Å; L158-E160 HydrophobicContact CB-CG 4.22Å; E160-R199 IonicContact OE1-CZ 3.27Å; E160-R199 VanDerWaalsContact OE1-CZ 3.27Å; E160-R199 IonicContact OE1-NH1 2.63Å; E160-R199 PolarHBondContact OE1-NH1 2.87Å; E160-R199 IonicContact OE1-NH2 3.77Å; E160-R199 PolarHBondContact OE1-NH2 3.38Å; E160-L219 HydrophobicContact CG-CD2 4.28Å
161G88.3Confident88.5Confident20 Ų2050.1 Ų50.121%0.20628%0.282CS..SBendtrans-76165.8173.300000113T133T133-G161 PolarHBondContact O-N 3.28Å
162P89.7Confident88.7Confident107 Ų10750.3 Ų50.370%0.69529%0.288SS*.SBendcis-84.3128.94.531.1-32.3000113.1V129 P131V129-P162 WeakPolarHBondContact O-CA 3.36Å; P131-P162 HydrophobicContact CG-CB 4.13Å; P131-P162 HydrophobicContact CG-CG 4.42Å
163G89.2Confident88.9Confident23 Ų2348.8 Ų48.824%0.23728%0.28CS..EExtended strand (participates in β ladder)trans-169.7161.1-179.900000113.3V129V129-G163 PolarHBondContact N-O 2.92Å; V129-G163 PolarHBondContact O-N 3.35Å; V129-G163 VanDerWaalsContact O-N 3.1Å
164T88.7Confident89Confident66 Ų6649.7 Ų49.741%0.40528%0.277SS..EExtended strand (participates in β ladder)trans-99.9117.9170.5-57.80000108.1L126L126-T164 HydrophobicContact CB-CG2 3.43Å; L126-T164 VanDerWaalsContact CB-CG2 3.43Å; L126-T164 HydrophobicContact CD1-CG2 3.9Å; L126-T164 HydrophobicContact CG-CG2 4.28Å
165Y90.6Very high89.2Confident15 Ų1552 Ų526%0.05928%0.278CS..EExtended strand (participates in β ladder)trans-76124.9178176.8-112.5000109.9Q127 L135 L137 F159 P167 V171 V173Q127-Y165 PolarHBondContact O-N 3.02Å; L135-Y165 HydrophobicContact CD1-CD1 4.1Å; L135-Y165 HydrophobicContact CD1-CG 3.91Å; L137-Y165 HydrophobicContact CD1-CD2 4.17Å; L137-Y165 HydrophobicContact CD1-CE2 3.48Å; L137-Y165 VanDerWaalsContact CD1-CE2 3.48Å; L137-Y165 HydrophobicContact CD2-CE1 4.27Å; L137-Y165 HydrophobicContact CD2-CE2 3.86Å; L137-Y165 HydrophobicContact CG-CE2 4.34Å; F159-Y165 HydrophobicContact CD2-CD2 4.11Å; F159-Y165 HydrophobicContact CE2-CD2 4.43Å; F159-Y165 HydrophobicContact CG-CD2 4.16Å; Y165-P167 HydrophobicContact CD1-CG 4.43Å; Y165-P167 HydrophobicContact CE1-CB 4.39Å; Y165-P167 HydrophobicContact CE1-CG 4.37Å; Y165-P167 WeakPolarHBondContact O-CD 3.4Å; Y165-V171 WeakPolarHBondContact OH-CG1 3.46Å; Y165-V173 HydrophobicContact CD1-CG2 4.11Å; Y165-V173 HydrophobicContact CE1-CG2 3.51Å
166I89.3Confident89.4Confident80 Ų8053.1 Ų53.141%0.4129%0.286SS..  trans-93.7114.1172.7-60.7175.8000107.5L106L106-I166 HydrophobicContact CD1-CG2 4.41Å; L106-I166 HydrophobicContact CD2-CG2 4.19Å
167P88.9Confident89.4Confident23 Ų2351.8 Ų51.815%0.14928%0.281CS..  trans-61.7141.4179.4-25.136.8000111.8Y72 I104 L126 Y165Y72-P167 HydrophobicContact CD1-CG 4.15Å; Y72-P167 HydrophobicContact CD2-CG 4.4Å; Y72-P167 HydrophobicContact CE1-CG 3.71Å; Y72-P167 HydrophobicContact CE2-CB 4.14Å; Y72-P167 HydrophobicContact CE2-CG 3.97Å; Y72-P167 HydrophobicContact CG-CG 4.48Å; I104-P167 WeakPolarHBondContact CD1-O 3.39Å; L126-P167 HydrophobicContact CD2-CG 4.48Å; Y165-P167 HydrophobicContact CD1-CG 4.43Å; Y165-P167 HydrophobicContact CE1-CB 4.39Å; Y165-P167 HydrophobicContact CE1-CG 4.37Å; Y165-P167 WeakPolarHBondContact O-CD 3.4Å
168R87.4Confident89.4Confident58 Ų5857.7 Ų57.722%0.21931%0.307CS..  trans-119.9151.7174.2-68.4-159.8-177.716318.5110.1D145 E146 E170 V171D145-R168 IonicContact OD1-CZ 3.8Å; D145-R168 IonicContact OD1-NH1 3.63Å; D145-R168 PolarHBondContact OD1-NH1 3Å; D145-R168 IonicContact OD1-NH2 2.79Å; D145-R168 PolarHBondContact OD1-NH2 3.41Å; E146-R168 IonicContact OE1-CZ 2.69Å; E146-R168 IonicContact OE1-NE 3.83Å; E146-R168 IonicContact OE1-NH2 3.93Å; E146-R168 PolarHBondContact OE1-NH2 3.44Å; E146-R168 IonicContact OE2-NH2 3.25Å; R168-E170 PolarHBondContact O-N 2.86Å; R168-V171 HydrophobicContact CB-CB 4.25Å; R168-V171 HydrophobicContact CB-CG2 4.04Å; R168-V171 PolarHBondContact O-N 2.89Å
169K86.2Confident89.3Confident67 Ų6757.2 Ų57.229%0.29131%0.308SS..THydrogen-bonded Turntrans-72.8-25.6-178.163.7-175.7-176.7175.60111.6D101 L102 I104 V171D101-K169 VanDerWaalsContact CG-NZ 3.28Å; D101-K169 IonicContact OD1-NZ 2.82Å; D101-K169 PolarHBondContact OD1-NZ 3.19Å; D101-K169 IonicContact OD2-NZ 2.71Å; D101-K169 PolarHBondContact OD2-NZ 3.06Å; D101-K169 VanDerWaalsContact OD2-NZ 3.08Å; L102-K169 HydrophobicContact CB-CB 4.15Å; L102-K169 HydrophobicContact CB-CD 4.43Å; L102-K169 WeakPolarHBondContact O-CD 3.49Å; I104-K169 HydrophobicContact CD1-CB 4.01Å; I104-K169 VanDerWaalsContact CD1-N 3.29Å; K169-V171 VanDerWaalsContact C-N 3.34Å
170E88.1Confident89.2Confident37 Ų3756.1 Ų56.117%0.17331%0.306CS..THydrogen-bonded Turntrans-85.3-6.2-179.1-5084.8179.500112.8A139 L140 L141 F143 R168A139-E170 CarbonylContact C-O 3.51Å; A139-E170 WeakPolarHBondContact CA-O 3.39Å; L140-E170 PolarHBondContact N-O 3.49Å; L141-E170 HydrophobicContact CD1-CB 4.04Å; L141-E170 HydrophobicContact CD1-CG 3.59Å; L141-E170 HydrophobicContact CD2-CG 4.48Å; L141-E170 HydrophobicContact CG-CB 4.07Å; L141-E170 HydrophobicContact CG-CG 4.08Å; F143-E170 HydrophobicContact CB-CB 4.14Å; F143-E170 HydrophobicContact CB-CG 3.88Å; F143-E170 HydrophobicContact CD1-CB 3.45Å; F143-E170 VanDerWaalsContact CD1-CB 3.45Å; F143-E170 HydrophobicContact CD1-CG 4.16Å; F143-E170 HydrophobicContact CD2-CB 4.35Å; F143-E170 HydrophobicContact CE1-CB 3.87Å; F143-E170 HydrophobicContact CG-CB 3.72Å; F143-E170 HydrophobicContact CG-CG 3.94Å; R168-E170 PolarHBondContact O-N 2.86Å
171V90.3Very high89.2Confident15 Ų1555.9 Ų55.99%0.09131%0.311CS..EExtended strand (participates in β ladder)trans-128.6130.6-169.2-173.50000111.5L137 Q138 F143 W157 Y165 R168 K169L137-V171 HydrophobicContact CB-CG1 3.77Å; L137-V171 HydrophobicContact CD1-CG1 4.29Å; L137-V171 HydrophobicContact CD2-CG1 4.21Å; L137-V171 HydrophobicContact CG-CG1 4.3Å; Q138-V171 WeakPolarHBondContact O-CA 3.21Å; F143-V171 HydrophobicContact CE1-CG2 3.67Å; F143-V171 HydrophobicContact CE2-CG2 4.33Å; F143-V171 HydrophobicContact CZ-CG2 3.41Å; F143-V171 VanDerWaalsContact CZ-CG2 3.41Å; W157-V171 HydrophobicContact CH2-CG1 3.94Å; W157-V171 HydrophobicContact CH2-CG2 3.86Å; W157-V171 HydrophobicContact CZ2-CG1 3.86Å; W157-V171 HydrophobicContact CZ2-CG2 3.95Å; Y165-V171 WeakPolarHBondContact OH-CG1 3.46Å; R168-V171 HydrophobicContact CB-CB 4.25Å; R168-V171 HydrophobicContact CB-CG2 4.04Å; R168-V171 PolarHBondContact O-N 2.89Å; K169-V171 VanDerWaalsContact C-N 3.34Å
172V90.4Very high89.3Confident53 Ų5355 Ų5532%0.32130%0.302SS..EExtended strand (participates in β ladder)trans-106.3141.7172.1700000110.9L137 Q138 L140 L174L137-V172 WeakPolarHBondContact CA-O 3.37Å; Q138-V172 HydrophobicContact CB-CG1 3.91Å; Q138-V172 PolarHBondContact N-O 3.38Å; Q138-V172 PolarHBondContact O-N 3.26Å; L140-V172 HydrophobicContact CD1-CB 4.36Å; L140-V172 HydrophobicContact CD2-CB 4.24Å; L140-V172 HydrophobicContact CD2-CG1 3.92Å; L140-V172 HydrophobicContact CG-CB 4.27Å; L140-V172 HydrophobicContact CG-CG1 4.29Å; V172-L174 HydrophobicContact CG1-CD2 4.29Å
173V91.3Very high89.3Confident49 Ų4958.2 Ų58.230%0.29730%0.3SS..EExtended strand (participates in β ladder)trans-86.8116.4171.8-175.90000108.3L135 L137 Y165L135-V173 HydrophobicContact CB-CG1 4.24Å; L135-V173 HydrophobicContact CD1-CG1 4.42Å; L135-V173 HydrophobicContact CD2-CG1 4.18Å; L137-V173 HydrophobicContact CD2-CB 4.26Å; L137-V173 HydrophobicContact CD2-CG1 4.41Å; L137-V173 HydrophobicContact CD2-CG2 3.69Å; Y165-V173 HydrophobicContact CD1-CG2 4.11Å; Y165-V173 HydrophobicContact CE1-CG2 3.51Å
174L89.1Confident89.1Confident69 Ų6964.6 Ų64.636%0.36132%0.324SS..EExtended strand (participates in β ladder)trans-80.7-58.9179.3-68179.3000111.7R136 Q138 E156 V172R136-L174 HydrophobicContact CB-CB 4.49Å; R136-L174 HydrophobicContact CG-CD1 4.35Å; R136-L174 WeakPolarHBondContact O-CB 3.23Å; R136-L174 PolarHBondContact O-N 2.95Å; Q138-L174 HydrophobicContact CB-CD1 3.88Å; Q138-L174 HydrophobicContact CB-CD2 4.42Å; Q138-L174 HydrophobicContact CB-CG 4Å; E156-L174 HydrophobicContact CG-CD1 4.44Å; V172-L174 HydrophobicContact CG1-CD2 4.29Å
175E88.2Confident89.1Confident85 Ų8565.7 Ų65.740%0.39733%0.327SS..EExtended strand (participates in β ladder)trans-155.6164-177.667.7-175163.100112.6R136 I177R136-E175 HydrophobicContact CB-CG 4.24Å; R136-E175 IonicContact CZ-OE1 3.74Å; R136-E175 PolarHBondContact N-O 3.39Å; R136-E175 IonicContact NE-OE1 2.95Å; R136-E175 IonicContact NH1-OE1 3.66Å; R136-E175 PolarHBondContact NH1-OE1 3.24Å; R136-E175 VanDerWaalsContact NH2-CD 3.33Å; R136-E175 IonicContact NH2-OE1 3.33Å; R136-E175 PolarHBondContact NH2-OE1 2.7Å; E175-I177 HydrophobicContact CG-CG1 4.14Å
176T89.9Confident89.1Confident73 Ų7366.8 Ų66.845%0.44833%0.333SS..EExtended strand (participates in β ladder)trans-98.8113.7171-530000109.5A134 L135A134-T176 CarbonylContact O-C 3.6Å; A134-T176 WeakPolarHBondContact O-CA 3.34Å; L135-T176 HydrophobicContact CD2-CG2 4.17Å; L135-T176 WeakPolarHBondContact CD2-OG1 3.4Å
177I89.9Confident89.2Confident22 Ų2263 Ų6311%0.11331%0.314CS..EExtended strand (participates in β ladder)trans-89134.9177.9-59179.2000108.8T133 A134 R136 L158 E175 L219 P220T133-I177 CarbonylContact C-O 3.58Å; T133-I177 VanDerWaalsContact CA-O 3.25Å; T133-I177 WeakPolarHBondContact CA-O 3.43Å; A134-I177 PolarHBondContact N-O 2.97Å; A134-I177 PolarHBondContact O-N 3.1Å; R136-I177 HydrophobicContact CB-CD1 4.07Å; L158-I177 HydrophobicContact CD2-CD1 3.79Å; E175-I177 HydrophobicContact CG-CG1 4.14Å; I177-L219 HydrophobicContact CG2-CD1 4.08Å; I177-P220 HydrophobicContact CG2-CB 4.48Å; I177-P220 HydrophobicContact CG2-CG 4.25Å
178K88.8Confident89.4Confident158 Ų15861.9 Ų61.969%0.68731%0.307SS*.EExtended strand (participates in β ladder)trans-108.5145.4173.6-61.9-176179.7179.80109.9T133T133-K178 HydrophobicContact CG2-CG 4.26Å
179A89.8Confident89.6Confident22 Ų2262.6 Ų62.618%0.18231%0.309CS..PPolyproline II helixtrans-66.5142.3172.700000111.5D132 A217 Y218 L219D132-A179 HydrophobicContact CB-CB 3.92Å; D132-A179 PolarHBondContact O-N 3.17Å; A179-A217 HydrophobicContact CB-CB 3.9Å; A179-Y218 CarbonylContact C-O 3.54Å; A179-Y218 VanDerWaalsContact CA-O 3.28Å; A179-Y218 WeakPolarHBondContact CA-O 3.23Å; A179-L219 HydrophobicContact CB-CB 4.13Å; A179-L219 HydrophobicContact CB-CD1 4.18Å
180T89.1Confident89.9Confident37 Ų3759.4 Ų59.423%0.22730%0.295CS..EExtended strand (participates in β ladder)trans-98.1128.7175.1-580000109.5I188 Y218 I229T180-I188 HydrophobicContact CG2-CD1 3.72Å; T180-Y218 PolarHBondContact N-O 3.12Å; T180-Y218 PolarHBondContact O-N 2.83Å; T180-I229 HydrophobicContact CG2-CD1 3.98Å; T180-I229 HydrophobicContact CG2-CG1 4.42Å
181V89.2Confident90.1Very high94 Ų9462.1 Ų62.157%0.5730%0.304SS*.EExtended strand (participates in β ladder)trans-84.2117.9-177.9-177.70000110.4
182I91.4Very high90.1Very high2 Ų261.6 Ų61.61%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-96.3121175.7-53.7169.3000108.4Q186 I188 V212 V215 G216 Y218I182-Q186 HydrophobicContact CG2-CB 4.2Å; I182-Q186 VanDerWaalsContact CG2-O 3.27Å; I182-Q186 WeakPolarHBondContact CG2-O 3.42Å; I182-I188 HydrophobicContact CD1-CB 3.97Å; I182-I188 HydrophobicContact CD1-CG2 3.5Å; I182-I188 HydrophobicContact CG1-CB 4.16Å; I182-I188 HydrophobicContact CG1-CG2 4.24Å; I182-V212 HydrophobicContact CD1-CG1 4.41Å; I182-V215 WeakPolarHBondContact O-CG1 3.34Å; I182-G216 PolarHBondContact N-O 2.83Å; I182-G216 PolarHBondContact O-N 2.98Å; I182-Y218 HydrophobicContact CD1-CG 4.35Å
183R88.8Confident89.9Confident175 Ų17564.7 Ų64.766%0.6631%0.307SS*.PPolyproline II helixtrans-88.5172.8175.8-56.9-179.6179.8173.40.7111.4Q186R183-Q186 HydrophobicContact CB-CG 4.31Å; R183-Q186 VanDerWaalsContact CB-OE1 3.32Å; R183-Q186 WeakPolarHBondContact O-CB 2.77Å; R183-Q186 PolarHBondContact O-N 2.98Å
184E85.9Confident89.6Confident156 Ų15667.6 Ų67.673%0.72932%0.316SS*.THydrogen-bonded Turntrans-57.2144.2167-67.3177.4178.900110.5Q186 V215E184-Q186 PolarHBondContact O-N 3.02Å; E184-V215 HydrophobicContact CG-CG2 4.26Å
185N88.8Confident89.5Confident90 Ų9070.2 Ų70.248%0.48133%0.326SS..THydrogen-bonded Turntrans59.123.8-174.3-61.7-34.6000114.7A232N185-A232 HydrophobicContact CB-CB 3.79Å; N185-A232 WeakPolarHBondContact O-CB 3.24Å; N185-A232 PolarHBondContact O-N 3.34Å
186Q91.1Very high89.3Confident37 Ų3767.1 Ų67.117%0.17332%0.318CS..EExtended strand (participates in β ladder)trans-126.1152.4172.3-62.9-171.3-38.900111.1I182 R183 E184 I229 V230 N231I182-Q186 HydrophobicContact CG2-CB 4.2Å; I182-Q186 VanDerWaalsContact CG2-O 3.27Å; I182-Q186 WeakPolarHBondContact CG2-O 3.42Å; R183-Q186 HydrophobicContact CB-CG 4.31Å; R183-Q186 VanDerWaalsContact CB-OE1 3.32Å; R183-Q186 WeakPolarHBondContact O-CB 2.77Å; R183-Q186 PolarHBondContact O-N 2.98Å; E184-Q186 PolarHBondContact O-N 3.02Å; Q186-I229 HydrophobicContact CB-CG2 3.9Å; Q186-I229 HydrophobicContact CG-CG2 4.17Å; Q186-V230 CarbonylContact C-O 3.58Å; Q186-V230 WeakPolarHBondContact CA-O 3.16Å; Q186-N231 WeakPolarHBondContact CG-OD1 3.09Å; Q186-N231 PolarHBondContact NE2-OD1 2.98Å
187A90.8Very high89.1Confident1 Ų171 Ų711%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-134.8149.2167.400000109.8L211 V212 I229 V230 I274A187-L211 HydrophobicContact CB-CB 4.19Å; A187-L211 HydrophobicContact CB-CD2 4.1Å; A187-V212 CarbonylContact C-O 3.56Å; A187-V212 VanDerWaalsContact CA-O 3.29Å; A187-V212 WeakPolarHBondContact CA-O 3.48Å; A187-I229 CarbonylContact O-C 3.36Å; A187-I229 WeakPolarHBondContact O-CA 3.17Å; A187-V230 PolarHBondContact N-O 3.39Å; A187-V230 PolarHBondContact O-N 3.37Å; A187-I274 HydrophobicContact CB-CD1 4.21Å; A187-I274 HydrophobicContact CB-CG2 3.95Å
188I91.9Very high88.8Confident0 Ų070.8 Ų70.80%033%0.327CS..EExtended strand (participates in β ladder)trans-93.9132.7172.2-165.8172.2000109.3T180 I182 L190 L211 V212 Y218 V226T180-I188 HydrophobicContact CG2-CD1 3.72Å; I182-I188 HydrophobicContact CD1-CB 3.97Å; I182-I188 HydrophobicContact CD1-CG2 3.5Å; I182-I188 HydrophobicContact CG1-CB 4.16Å; I182-I188 HydrophobicContact CG1-CG2 4.24Å; I188-L190 HydrophobicContact CD1-CD2 4.15Å; I188-L190 HydrophobicContact CG1-CD2 4.15Å; I188-L190 HydrophobicContact CG2-CD2 4.34Å; I188-L190 HydrophobicContact CG2-CG 4.27Å; I188-L211 CarbonylContact O-C 3.55Å; I188-L211 VanDerWaalsContact O-CA 3.31Å; I188-L211 WeakPolarHBondContact O-CA 3.06Å; I188-V212 HydrophobicContact CG2-CB 3.74Å; I188-V212 PolarHBondContact N-O 3.27Å; I188-V212 PolarHBondContact O-N 3.27Å; I188-Y218 HydrophobicContact CD1-CD1 4.45Å; I188-Y218 HydrophobicContact CG2-CD1 4.35Å; I188-V226 HydrophobicContact CD1-CB 4.38Å; I188-V226 HydrophobicContact CD1-CG1 3.65Å; I188-V226 HydrophobicContact CD1-CG2 3.85Å; I188-V226 HydrophobicContact CG1-CG1 3.89Å
189R92.2Very high88.5Confident73 Ų7368.9 Ų68.928%0.27532%0.316SS..EExtended strand (participates in β ladder)trans-91.5124.8173.3-167.3-178.7-177.6157.40.4109.5E209 W210 L211 I227 D228 V230R189-E209 IonicContact CZ-OE2 3.84Å; R189-E209 IonicContact NE-OE2 2.81Å; R189-E209 PolarHBondContact NE-OE2 2.83Å; R189-E209 IonicContact NH2-OE2 3.94Å; R189-E209 PolarHBondContact NH2-OE2 2.87Å; R189-W210 WeakPolarHBondContact CA-O 3.33Å; R189-L211 HydrophobicContact CB-CD2 3.78Å; R189-L211 HydrophobicContact CG-CD2 4.17Å; R189-I227 HydrophobicContact CB-CB 4.34Å; R189-I227 HydrophobicContact CG-CB 4.4Å; R189-I227 HydrophobicContact CG-CD1 4.29Å; R189-I227 PolarHBondContact O-N 2.92Å; R189-D228 WeakPolarHBondContact CB-OD1 3.39Å; R189-D228 VanDerWaalsContact CD-OD1 3.23Å; R189-D228 WeakPolarHBondContact CD-OD1 2.99Å; R189-D228 PolarHBondContact N-O 3.13Å; R189-V230 HydrophobicContact CB-CG2 4.44Å
190L91.9Very high87.9Confident0 Ų071 Ų710%034%0.34CS..EExtended strand (participates in β ladder)trans-116.2150.5-179.2-59.1176.5000110I188 E209 W210 V212 Y218 E225 V226I188-L190 HydrophobicContact CD1-CD2 4.15Å; I188-L190 HydrophobicContact CG1-CD2 4.15Å; I188-L190 HydrophobicContact CG2-CD2 4.34Å; I188-L190 HydrophobicContact CG2-CG 4.27Å; L190-E209 WeakPolarHBondContact O-CA 3.44Å; L190-W210 HydrophobicContact CB-CD2 4.14Å; L190-W210 HydrophobicContact CB-CH2 4.2Å; L190-W210 HydrophobicContact CB-CZ2 3.73Å; L190-W210 HydrophobicContact CD1-CZ2 4.06Å; L190-W210 PolarHBondContact N-O 2.83Å; L190-W210 PolarHBondContact O-N 3.45Å; L190-V212 HydrophobicContact CD1-CG2 3.72Å; L190-Y218 HydrophobicContact CD1-CD1 4.41Å; L190-Y218 HydrophobicContact CD1-CE1 3.46Å; L190-Y218 VanDerWaalsContact CD1-CE1 3.46Å; L190-Y218 WeakPolarHBondContact CD1-OH 3.38Å; L190-Y218 HydrophobicContact CD2-CE1 4.21Å; L190-Y218 HydrophobicContact CG-CE1 4.46Å; L190-E225 CarbonylContact C-O 3.57Å; L190-E225 VanDerWaalsContact CA-O 3.28Å; L190-E225 WeakPolarHBondContact CA-O 3.2Å; L190-V226 HydrophobicContact CD2-CB 4.39Å; L190-V226 HydrophobicContact CD2-CG2 3.77Å
191R92.3Very high87.6Confident93 Ų9371.6 Ų71.635%0.35135%0.354SS..EExtended strand (participates in β ladder)trans-126.7137.1172-176.1167.964.2-1673.8111R193 E208 E209 E225 I227R191-R193 PolarHBondContact O-N 3.02Å; R191-E208 WeakPolarHBondContact CA-O 3.42Å; R191-E209 HydrophobicContact CB-CG 3.98Å; R191-E209 HydrophobicContact CG-CG 3.98Å; R191-E225 HydrophobicContact CB-CB 4.37Å; R191-E225 IonicContact CZ-OE2 3.7Å; R191-E225 VanDerWaalsContact CZ-OE2 3.23Å; R191-E225 PolarHBondContact N-O 3.01Å; R191-E225 IonicContact NE-OE2 3.54Å; R191-E225 PolarHBondContact NE-OE2 2.85Å; R191-E225 IonicContact NH2-OE1 3.79Å; R191-E225 IonicContact NH2-OE2 3.65Å; R191-E225 PolarHBondContact NH2-OE2 3.22Å; R191-E225 PolarHBondContact O-N 3.42Å; R191-I227 HydrophobicContact CB-CD1 3.68Å; R191-I227 HydrophobicContact CB-CG1 4.12Å
192A91.2Very high87.4Confident5 Ų570.5 Ų70.54%0.04135%0.347CS..EExtended strand (participates in β ladder)trans-78.2119.7176.700000110.7R204 V205 G207 E208 W210A192-R204 HydrophobicContact CB-CB 3.99Å; A192-V205 VanDerWaalsContact CB-O 3.31Å; A192-V205 WeakPolarHBondContact CB-O 3.41Å; A192-G207 PolarHBondContact O-N 2.95Å; A192-E208 PolarHBondContact N-O 2.79Å; A192-W210 HydrophobicContact CB-CH2 3.95Å; A192-W210 HydrophobicContact CB-CZ3 3.67Å; A192-W210 VanDerWaalsContact N-CZ3 3.32Å
193R86.8Confident87.3Confident118 Ų11875 Ų7545%0.44537%0.368SS..SBendtrans-73.4-30.9172.1-66.6-176.8177.7-90.2-12.2112.4R191 H223 E225R191-R193 PolarHBondContact O-N 3.02Å; R193-H223 WeakPolarHBondContact CB-O 3.34Å; R193-H223 PolarHBondContact N-O 3.38Å; R193-E225 HydrophobicContact CG-CB 4.04Å; R193-E225 IonicContact CZ-OE1 2.71Å; R193-E225 IonicContact NH1-OE1 3.5Å; R193-E225 VanDerWaalsContact NH2-CD 3.28Å; R193-E225 IonicContact NH2-OE1 2.81Å; R193-E225 PolarHBondContact NH2-OE1 2.9Å
194K85.1Confident87.3Confident110 Ų11068.7 Ų68.748%0.47834%0.344SS..SBendtrans-144154.3-178.4-168.8176.3-179.8-1790108.8G196 H223K194-G196 PolarHBondContact O-N 2.9Å; K194-H223 HydrophobicContact CB-CB 4.26Å
195E85.6Confident87.5Confident123 Ų12365.2 Ų65.258%0.57533%0.333SS*.SBendtrans-60.6131.6170.8-171.7178.9176.700110.6R204 T206E195-R204 WeakPolarHBondContact CA-O 3.49Å; E195-T206 PolarHBondContact N-OG1 3.36Å
196G84.2Confident87.5Confident21 Ų2165.3 Ų65.322%0.21634%0.337CS..EExtended strand (participates in β ladder)trans175-170.5-176.300000112.1K194 R204K194-G196 PolarHBondContact O-N 2.9Å; G196-R204 PolarHBondContact N-O 2.88Å; G196-R204 VanDerWaalsContact N-O 3.14Å; G196-R204 PolarHBondContact O-N 2.92Å
197K85.5Confident87.3Confident155 Ų15565.6 Ų65.667%0.67435%0.35SS*.EExtended strand (participates in β ladder)trans-97135174-65.8-177.5-179.5-1780109.7V202 Q203K197-V202 WeakPolarHBondContact CA-O 3.34Å; K197-Q203 VanDerWaalsContact CG-OE1 3.3Å
198D85.5Confident87.3Confident16 Ų1667.5 Ų67.59%0.08636%0.359CS..  trans-70.8173167.869.614.7000111.2G200 G201 V202 R204 W210 E224D198-G200 PolarHBondContact O-N 2.98Å; D198-G200 VanDerWaalsContact O-N 3.14Å; D198-G200 VanDerWaalsContact OD1-C 3.27Å; D198-G200 WeakPolarHBondContact OD1-CA 3.42Å; D198-G200 PolarHBondContact OD1-N 2.87Å; D198-G201 PolarHBondContact O-N 2.87Å; D198-G201 PolarHBondContact OD1-N 3.36Å; D198-V202 PolarHBondContact N-O 2.79Å; D198-V202 PolarHBondContact OD1-N 2.92Å; D198-R204 HydrophobicContact CB-CG 3.96Å; D198-R204 IonicContact OD2-CZ 3.06Å; D198-R204 VanDerWaalsContact OD2-CZ 3.27Å; D198-R204 IonicContact OD2-NE 3Å; D198-R204 PolarHBondContact OD2-NE 3.17Å; D198-R204 IonicContact OD2-NH2 3.43Å; D198-R204 PolarHBondContact OD2-NH2 2.77Å; D198-W210 HydrophobicContact CB-CZ2 3.76Å; D198-E224 WeakPolarHBondContact CA-OE1 3.34Å
199R81.6Confident87.2Confident118 Ų11869.5 Ų69.545%0.44537%0.368SS..THydrogen-bonded Turntrans-59.5-20.6174.7-76.9-134.7-173.1-125.3-2.8114.6E160 G201 Y218 L219 E224E160-R199 IonicContact OE1-CZ 3.27Å; E160-R199 VanDerWaalsContact OE1-CZ 3.27Å; E160-R199 IonicContact OE1-NH1 2.63Å; E160-R199 PolarHBondContact OE1-NH1 2.87Å; E160-R199 IonicContact OE1-NH2 3.77Å; E160-R199 PolarHBondContact OE1-NH2 3.38Å; R199-G201 VanDerWaalsContact C-N 3.29Å; R199-Y218 HydrophobicContact CB-CE2 4.39Å; R199-L219 PolarHBondContact NE-O 2.85Å; R199-L219 PolarHBondContact NH2-O 2.95Å; R199-L219 VanDerWaalsContact NH2-O 3.17Å; R199-E224 PolarHBondContact N-OE1 2.84Å
200G77.1Confident87.1Confident68 Ų6866.8 Ų66.870%0.70136%0.358SS*.THydrogen-bonded Turntrans-82.4-5.1174.800000113.7D198 V202D198-G200 PolarHBondContact O-N 2.98Å; D198-G200 VanDerWaalsContact O-N 3.14Å; D198-G200 VanDerWaalsContact OD1-C 3.27Å; D198-G200 WeakPolarHBondContact OD1-CA 3.42Å; D198-G200 PolarHBondContact OD1-N 2.87Å; G200-V202 VanDerWaalsContact C-N 3.33Å
201G82.6Confident87.1Confident49 Ų4969 Ų6951%0.50537%0.369SS..SBendtrans81.77.4-176.600000114.3D198 R199D198-G201 PolarHBondContact O-N 2.87Å; D198-G201 PolarHBondContact OD1-N 3.36Å; R199-G201 VanDerWaalsContact C-N 3.29Å
202V85.6Confident87Confident70 Ų7065.8 Ų65.842%0.42436%0.36SS..  trans-82.5133.8177.7-175.50000109.2K197 D198 G200 R204K197-V202 WeakPolarHBondContact CA-O 3.34Å; D198-V202 PolarHBondContact N-O 2.79Å; D198-V202 PolarHBondContact OD1-N 2.92Å; G200-V202 VanDerWaalsContact C-N 3.33Å; V202-R204 PolarHBondContact O-N 2.79Å
203Q88Confident86.8Confident98 Ų9869.4 Ų69.446%0.45839%0.385SS..EExtended strand (participates in β ladder)trans-70.1126.2175.3-166.771.320.400109.5K197K197-Q203 VanDerWaalsContact CG-OE1 3.3Å
204R89.4Confident86.8Confident41 Ų4171.9 Ų71.916%0.15540%0.399CS..EExtended strand (participates in β ladder)trans-117.6137.5179.3-57.8-60.2179.3-178.2-1.7110.5A192 E195 G196 D198 V202 E208 W210A192-R204 HydrophobicContact CB-CB 3.99Å; E195-R204 WeakPolarHBondContact CA-O 3.49Å; G196-R204 PolarHBondContact N-O 2.88Å; G196-R204 VanDerWaalsContact N-O 3.14Å; G196-R204 PolarHBondContact O-N 2.92Å; D198-R204 HydrophobicContact CB-CG 3.96Å; D198-R204 IonicContact OD2-CZ 3.06Å; D198-R204 VanDerWaalsContact OD2-CZ 3.27Å; D198-R204 IonicContact OD2-NE 3Å; D198-R204 PolarHBondContact OD2-NE 3.17Å; D198-R204 IonicContact OD2-NH2 3.43Å; D198-R204 PolarHBondContact OD2-NH2 2.77Å; V202-R204 PolarHBondContact O-N 2.79Å; R204-E208 WeakPolarHBondContact CA-OE2 3.32Å; R204-E208 WeakPolarHBondContact CD-OE1 3.42Å; R204-E208 IonicContact CZ-OE1 3.08Å; R204-E208 IonicContact NE-OE1 3.55Å; R204-E208 IonicContact NH1-OE1 2.67Å; R204-E208 PolarHBondContact NH1-OE1 3.01Å; R204-W210 HydrophobicContact CB-CH2 4.38Å; R204-W210 HydrophobicContact CB-CZ3 4.1Å; R204-W210 HydrophobicContact CG-CD2 4.42Å; R204-W210 HydrophobicContact CG-CE3 4.06Å; R204-W210 HydrophobicContact CG-CH2 3.92Å; R204-W210 HydrophobicContact CG-CZ2 4.27Å; R204-W210 HydrophobicContact CG-CZ3 3.79Å
205V90.4Very high87Confident83 Ų8370.8 Ų70.850%0.50340%0.402SS..  trans-89.6155172.6-60.50000110.9A192 G207 E208A192-V205 VanDerWaalsContact CB-O 3.31Å; A192-V205 WeakPolarHBondContact CB-O 3.41Å; V205-G207 PolarHBondContact O-N 3.37Å; V205-E208 HydrophobicContact CG2-CB 3.83Å; V205-E208 PolarHBondContact N-OE2 2.79Å; V205-E208 WeakPolarHBondContact O-CB 3.33Å; V205-E208 PolarHBondContact O-N 2.95Å
206T88.9Confident87.2Confident92 Ų9266.5 Ų66.556%0.56439%0.39SS*.THydrogen-bonded Turntrans-55.7128.6178.6-54.30000111.3E195 E208E195-T206 PolarHBondContact N-OG1 3.36Å; T206-E208 VanDerWaalsContact C-N 3.27Å; T206-E208 PolarHBondContact O-N 2.79Å
207G87.1Confident87.4Confident43 Ų4368 Ų6844%0.44340%0.4SS..THydrogen-bonded Turntrans81.7-5.2-177.800000115A192 V205A192-G207 PolarHBondContact O-N 2.95Å; V205-G207 PolarHBondContact O-N 3.37Å
208E89.4Confident87.6Confident41 Ų4161.9 Ų61.919%0.19237%0.373CS..  trans-63.7139.6173.3-170.8-176.5156.100110.7R191 A192 R204 V205 T206 W210R191-E208 WeakPolarHBondContact CA-O 3.42Å; A192-E208 PolarHBondContact N-O 2.79Å; R204-E208 WeakPolarHBondContact CA-OE2 3.32Å; R204-E208 WeakPolarHBondContact CD-OE1 3.42Å; R204-E208 IonicContact CZ-OE1 3.08Å; R204-E208 IonicContact NE-OE1 3.55Å; R204-E208 IonicContact NH1-OE1 2.67Å; R204-E208 PolarHBondContact NH1-OE1 3.01Å; V205-E208 HydrophobicContact CG2-CB 3.83Å; V205-E208 PolarHBondContact N-OE2 2.79Å; V205-E208 WeakPolarHBondContact O-CB 3.33Å; V205-E208 PolarHBondContact O-N 2.95Å; T206-E208 VanDerWaalsContact C-N 3.27Å; T206-E208 PolarHBondContact O-N 2.79Å; E208-W210 VanDerWaalsContact O-CZ3 3.29Å; E208-W210 WeakPolarHBondContact O-CZ3 3.21Å
209E91.1Very high87.8Confident42 Ų4262.3 Ų62.320%0.19638%0.375CS..EExtended strand (participates in β ladder)trans-115.8139.7177-66.9179.7-176.100111.5R189 L190 R191 I227 V277R189-E209 IonicContact CZ-OE2 3.84Å; R189-E209 IonicContact NE-OE2 2.81Å; R189-E209 PolarHBondContact NE-OE2 2.83Å; R189-E209 IonicContact NH2-OE2 3.94Å; R189-E209 PolarHBondContact NH2-OE2 2.87Å; L190-E209 WeakPolarHBondContact O-CA 3.44Å; R191-E209 HydrophobicContact CB-CG 3.98Å; R191-E209 HydrophobicContact CG-CG 3.98Å; E209-I227 HydrophobicContact CG-CD1 3.89Å; E209-I227 WeakPolarHBondContact OE1-CD1 3.42Å; E209-V277 HydrophobicContact CB-CG1 3.74Å; E209-V277 HydrophobicContact CB-CG2 4.45Å
210W90.7Very high88.1Confident17 Ų1757 Ų576%0.06436%0.356CS..EExtended strand (participates in β ladder)trans-147.2168.3177.868.699.4000111.5R189 L190 A192 D198 R204 E208 E224R189-W210 WeakPolarHBondContact CA-O 3.33Å; L190-W210 HydrophobicContact CB-CD2 4.14Å; L190-W210 HydrophobicContact CB-CH2 4.2Å; L190-W210 HydrophobicContact CB-CZ2 3.73Å; L190-W210 HydrophobicContact CD1-CZ2 4.06Å; L190-W210 PolarHBondContact N-O 2.83Å; L190-W210 PolarHBondContact O-N 3.45Å; A192-W210 HydrophobicContact CB-CH2 3.95Å; A192-W210 HydrophobicContact CB-CZ3 3.67Å; A192-W210 VanDerWaalsContact N-CZ3 3.32Å; D198-W210 HydrophobicContact CB-CZ2 3.76Å; R204-W210 HydrophobicContact CB-CH2 4.38Å; R204-W210 HydrophobicContact CB-CZ3 4.1Å; R204-W210 HydrophobicContact CG-CD2 4.42Å; R204-W210 HydrophobicContact CG-CE3 4.06Å; R204-W210 HydrophobicContact CG-CH2 3.92Å; R204-W210 HydrophobicContact CG-CZ2 4.27Å; R204-W210 HydrophobicContact CG-CZ3 3.79Å; E208-W210 VanDerWaalsContact O-CZ3 3.29Å; E208-W210 WeakPolarHBondContact O-CZ3 3.21Å; W210-E224 HydrophobicContact CH2-CG 4.32Å; W210-E224 HydrophobicContact CZ2-CG 4.06Å
211L91Very high88.6Confident45 Ų4554.3 Ų54.324%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-110.9143.5178.3-68.5167.2000110.9A187 I188 R189 V230 I274 P275 V277A187-L211 HydrophobicContact CB-CB 4.19Å; A187-L211 HydrophobicContact CB-CD2 4.1Å; I188-L211 CarbonylContact O-C 3.55Å; I188-L211 VanDerWaalsContact O-CA 3.31Å; I188-L211 WeakPolarHBondContact O-CA 3.06Å; R189-L211 HydrophobicContact CB-CD2 3.78Å; R189-L211 HydrophobicContact CG-CD2 4.17Å; L211-V230 HydrophobicContact CD2-CB 4.32Å; L211-V230 HydrophobicContact CD2-CG2 3.79Å; L211-I274 HydrophobicContact CD1-CG2 4.33Å; L211-P275 WeakPolarHBondContact CD1-O 3.3Å; L211-V277 HydrophobicContact CD1-CG2 4.36Å; L211-V277 HydrophobicContact CG-CG2 3.92Å
212V89.9Confident88.7Confident27 Ų2752.7 Ų52.716%0.16431%0.311CS..EExtended strand (participates in β ladder)trans-118.3120.6167.3178.90000108.6I182 A187 I188 L190 K214 Y218I182-V212 HydrophobicContact CD1-CG1 4.41Å; A187-V212 CarbonylContact C-O 3.56Å; A187-V212 VanDerWaalsContact CA-O 3.29Å; A187-V212 WeakPolarHBondContact CA-O 3.48Å; I188-V212 HydrophobicContact CG2-CB 3.74Å; I188-V212 PolarHBondContact N-O 3.27Å; I188-V212 PolarHBondContact O-N 3.27Å; L190-V212 HydrophobicContact CD1-CG2 3.72Å; V212-K214 HydrophobicContact CG1-CB 4.34Å; V212-Y218 HydrophobicContact CB-CE2 4.39Å; V212-Y218 HydrophobicContact CG1-CD2 3.85Å; V212-Y218 HydrophobicContact CG1-CE2 3.84Å; V212-Y218 HydrophobicContact CG2-CE2 4.19Å
213S87.4Confident88.8Confident81 Ų8152 Ų5257%0.56630%0.303SS*.  trans-1084.9-176.655.20000113.8V215S213-V215 PolarHBondContact O-N 2.96Å; S213-V215 VanDerWaalsContact O-N 3.14Å
214K87.4Confident88.9Confident170 Ų17048.2 Ų48.274%0.73929%0.285SS*.  trans-68112.5178.4-173.8178.4179.7-178.70109.5V212V212-K214 HydrophobicContact CG1-CB 4.34Å
215V88.9Confident88.9Confident87 Ų8748.5 Ų48.553%0.52729%0.288SS..SBendtrans-59.4134.8179.2-179.20000110.4I182 E184 S213I182-V215 WeakPolarHBondContact O-CG1 3.34Å; E184-V215 HydrophobicContact CG-CG2 4.26Å; S213-V215 PolarHBondContact O-N 2.96Å; S213-V215 VanDerWaalsContact O-N 3.14Å
216G88.9Confident88.9Confident32 Ų3247.2 Ų47.233%0.3328%0.28SS..EExtended strand (participates in β ladder)trans131.1-173.6-178.900000113.5I182 Y218I182-G216 PolarHBondContact N-O 2.83Å; I182-G216 PolarHBondContact O-N 2.98Å; G216-Y218 PolarHBondContact O-N 2.72Å
217A88.4Confident88.9Confident52 Ų5246 Ų4643%0.4327%0.27SS..EExtended strand (participates in β ladder)trans-76.4114.6174.400000109.9A179A179-A217 HydrophobicContact CB-CB 3.9Å
218Y89.8Confident89.1Confident28 Ų2847.3 Ų47.311%0.1127%0.266CS..EExtended strand (participates in β ladder)trans-99.4114.3175.4-173.8-92.3000110.1A179 T180 I182 I188 L190 R199 V212 G216 P220 E224A179-Y218 CarbonylContact C-O 3.54Å; A179-Y218 VanDerWaalsContact CA-O 3.28Å; A179-Y218 WeakPolarHBondContact CA-O 3.23Å; T180-Y218 PolarHBondContact N-O 3.12Å; T180-Y218 PolarHBondContact O-N 2.83Å; I182-Y218 HydrophobicContact CD1-CG 4.35Å; I188-Y218 HydrophobicContact CD1-CD1 4.45Å; I188-Y218 HydrophobicContact CG2-CD1 4.35Å; L190-Y218 HydrophobicContact CD1-CD1 4.41Å; L190-Y218 HydrophobicContact CD1-CE1 3.46Å; L190-Y218 VanDerWaalsContact CD1-CE1 3.46Å; L190-Y218 WeakPolarHBondContact CD1-OH 3.38Å; L190-Y218 HydrophobicContact CD2-CE1 4.21Å; L190-Y218 HydrophobicContact CG-CE1 4.46Å; R199-Y218 HydrophobicContact CB-CE2 4.39Å; V212-Y218 HydrophobicContact CB-CE2 4.39Å; V212-Y218 HydrophobicContact CG1-CD2 3.85Å; V212-Y218 HydrophobicContact CG1-CE2 3.84Å; V212-Y218 HydrophobicContact CG2-CE2 4.19Å; G216-Y218 PolarHBondContact O-N 2.72Å; Y218-P220 WeakPolarHBondContact O-CD 3.4Å; Y218-E224 WeakPolarHBondContact CE1-OE2 3.48Å; Y218-E224 VanDerWaalsContact OH-CD 3.31Å; Y218-E224 PolarHBondContact OH-OE1 3.33Å; Y218-E224 PolarHBondContact OH-OE2 2.94Å
219L89.6Confident89.1Confident24 Ų2448.6 Ų48.613%0.12627%0.274CS..  trans-91.2110.7175.4-174.166.4000109.7A134 E160 I177 A179 R199A134-L219 HydrophobicContact CB-CD1 4.42Å; A134-L219 HydrophobicContact CB-CD2 4.02Å; E160-L219 HydrophobicContact CG-CD2 4.28Å; I177-L219 HydrophobicContact CG2-CD1 4.08Å; A179-L219 HydrophobicContact CB-CB 4.13Å; A179-L219 HydrophobicContact CB-CD1 4.18Å; R199-L219 PolarHBondContact NE-O 2.85Å; R199-L219 PolarHBondContact NH2-O 2.95Å; R199-L219 VanDerWaalsContact NH2-O 3.17Å
220P88.9Confident89.1Confident6 Ų647.9 Ų47.94%0.03927%0.273CS..  trans-58.6142.5-178.9-22.634000112L158 I177 Y218 E224 V226L158-P220 VanDerWaalsContact CD1-O 3.25Å; L158-P220 WeakPolarHBondContact CD1-O 3.46Å; I177-P220 HydrophobicContact CG2-CB 4.48Å; I177-P220 HydrophobicContact CG2-CG 4.25Å; Y218-P220 WeakPolarHBondContact O-CD 3.4Å; P220-E224 HydrophobicContact CB-CB 4.22Å; P220-V226 HydrophobicContact CB-CG2 4.11Å; P220-V226 HydrophobicContact CG-CG2 3.36Å
221G87.4Confident89Confident13 Ų1351.6 Ų51.613%0.13429%0.293CS..  trans-66.1166.8170.200000112.8H223 E224G221-H223 PolarHBondContact O-N 2.91Å; G221-H223 VanDerWaalsContact O-N 3.13Å; G221-E224 PolarHBondContact N-OE2 2.93Å; G221-E224 PolarHBondContact O-N 2.94Å
222A85.4Confident88.9Confident15 Ų1550.3 Ų50.312%0.12429%0.29CS..THydrogen-bonded Turntrans-55.8-34-178.500000113.3L158L158-A222 HydrophobicContact CD2-CB 4.14Å; L158-A222 HydrophobicContact CG-CB 4.07Å
223H87.1Confident88.8Confident56 Ų5653 Ų5326%0.25930%0.299SS..THydrogen-bonded Turntrans-106.410.5-178.8-52.4-47000113.5E156 R193 K194 G221E156-H223 IonicContact OE2-CE1 3.68Å; E156-H223 IonicContact OE2-ND1 3.33Å; R193-H223 WeakPolarHBondContact CB-O 3.34Å; R193-H223 PolarHBondContact N-O 3.38Å; K194-H223 HydrophobicContact CB-CB 4.26Å; G221-H223 PolarHBondContact O-N 2.91Å; G221-H223 VanDerWaalsContact O-N 3.13Å
224E89.4Confident88.8Confident18 Ų1855.3 Ų55.38%0.08430%0.304CS..EExtended strand (participates in β ladder)trans-97.2124.4176.6-61.8179.7170.300109.4D198 R199 W210 Y218 P220 G221D198-E224 WeakPolarHBondContact CA-OE1 3.34Å; R199-E224 PolarHBondContact N-OE1 2.84Å; W210-E224 HydrophobicContact CH2-CG 4.32Å; W210-E224 HydrophobicContact CZ2-CG 4.06Å; Y218-E224 WeakPolarHBondContact CE1-OE2 3.48Å; Y218-E224 VanDerWaalsContact OH-CD 3.31Å; Y218-E224 PolarHBondContact OH-OE1 3.33Å; Y218-E224 PolarHBondContact OH-OE2 2.94Å; P220-E224 HydrophobicContact CB-CB 4.22Å; G221-E224 PolarHBondContact N-OE2 2.93Å; G221-E224 PolarHBondContact O-N 2.94Å
225E89.2Confident88.9Confident46 Ų4647.7 Ų47.722%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-101.5124173.7-179.7170.3-135.500110L190 R191 R193 I227L190-E225 CarbonylContact C-O 3.57Å; L190-E225 VanDerWaalsContact CA-O 3.28Å; L190-E225 WeakPolarHBondContact CA-O 3.2Å; R191-E225 HydrophobicContact CB-CB 4.37Å; R191-E225 IonicContact CZ-OE2 3.7Å; R191-E225 VanDerWaalsContact CZ-OE2 3.23Å; R191-E225 PolarHBondContact N-O 3.01Å; R191-E225 IonicContact NE-OE2 3.54Å; R191-E225 PolarHBondContact NE-OE2 2.85Å; R191-E225 IonicContact NH2-OE1 3.79Å; R191-E225 IonicContact NH2-OE2 3.65Å; R191-E225 PolarHBondContact NH2-OE2 3.22Å; R191-E225 PolarHBondContact O-N 3.42Å; R193-E225 HydrophobicContact CG-CB 4.04Å; R193-E225 IonicContact CZ-OE1 2.71Å; R193-E225 IonicContact NH1-OE1 3.5Å; R193-E225 VanDerWaalsContact NH2-CD 3.28Å; R193-E225 IonicContact NH2-OE1 2.81Å; R193-E225 PolarHBondContact NH2-OE1 2.9Å; E225-I227 PolarHBondContact O-N 3.37Å
226V90.8Very high88.9Confident57 Ų5746 Ų4635%0.34526%0.261SS..EExtended strand (participates in β ladder)trans-77.6120.7173.1177.50000109.1I188 L190 P220I188-V226 HydrophobicContact CD1-CB 4.38Å; I188-V226 HydrophobicContact CD1-CG1 3.65Å; I188-V226 HydrophobicContact CD1-CG2 3.85Å; I188-V226 HydrophobicContact CG1-CG1 3.89Å; L190-V226 HydrophobicContact CD2-CB 4.39Å; L190-V226 HydrophobicContact CD2-CG2 3.77Å; P220-V226 HydrophobicContact CB-CG2 4.11Å; P220-V226 HydrophobicContact CG-CG2 3.36Å
227I90.1Very high88.8Confident67 Ų6749.7 Ų49.734%0.34427%0.273SS..EExtended strand (participates in β ladder)trans-90-68.3175.5-62.9174.3000109.7R189 R191 E209 E225R189-I227 HydrophobicContact CB-CB 4.34Å; R189-I227 HydrophobicContact CG-CB 4.4Å; R189-I227 HydrophobicContact CG-CD1 4.29Å; R189-I227 PolarHBondContact O-N 2.92Å; R191-I227 HydrophobicContact CB-CD1 3.68Å; R191-I227 HydrophobicContact CB-CG1 4.12Å; E209-I227 HydrophobicContact CG-CD1 3.89Å; E209-I227 WeakPolarHBondContact OE1-CD1 3.42Å; E225-I227 PolarHBondContact O-N 3.37Å
228D89.9Confident88.8Confident69 Ų6953.5 Ų53.537%0.36928%0.28SS..EExtended strand (participates in β ladder)trans-155.7174.3-173.963.8-5.3000112.8R189R189-D228 WeakPolarHBondContact CB-OD1 3.39Å; R189-D228 VanDerWaalsContact CD-OD1 3.23Å; R189-D228 WeakPolarHBondContact CD-OD1 2.99Å; R189-D228 PolarHBondContact N-O 3.13Å
229I90.2Very high88.8Confident68 Ų6857 Ų5735%0.34930%0.296SS..EExtended strand (participates in β ladder)trans-107.4120.4173.1-60.2174.1000107.9T180 Q186 A187T180-I229 HydrophobicContact CG2-CD1 3.98Å; T180-I229 HydrophobicContact CG2-CG1 4.42Å; Q186-I229 HydrophobicContact CB-CG2 3.9Å; Q186-I229 HydrophobicContact CG-CG2 4.17Å; A187-I229 CarbonylContact O-C 3.36Å; A187-I229 WeakPolarHBondContact O-CA 3.17Å
230V89.9Confident88.8Confident28 Ų2855.9 Ų55.917%0.1729%0.29CS..EExtended strand (participates in β ladder)trans-94.4124.7178.9-174.50000109.3Q186 A187 R189 L211 I274Q186-V230 CarbonylContact C-O 3.58Å; Q186-V230 WeakPolarHBondContact CA-O 3.16Å; A187-V230 PolarHBondContact N-O 3.39Å; A187-V230 PolarHBondContact O-N 3.37Å; R189-V230 HydrophobicContact CB-CG2 4.44Å; L211-V230 HydrophobicContact CD2-CB 4.32Å; L211-V230 HydrophobicContact CD2-CG2 3.79Å; V230-I274 HydrophobicContact CB-CG2 4.31Å; V230-I274 HydrophobicContact CG1-CG2 3.91Å
231N89.4Confident89Confident94 Ų9455.7 Ų55.750%0.50329%0.289SS..EExtended strand (participates in β ladder)trans-89.5147.9175.7-60.6-56.5000110.9Q186Q186-N231 WeakPolarHBondContact CG-OD1 3.09Å; Q186-N231 PolarHBondContact NE2-OD1 2.98Å
232A89.1Confident89.3Confident19 Ų1956.3 Ų56.316%0.15729%0.288CS..PPolyproline II helixtrans-72.8144.9172.700000111.9N185 A272 H273 I274N185-A232 HydrophobicContact CB-CB 3.79Å; N185-A232 WeakPolarHBondContact O-CB 3.24Å; N185-A232 PolarHBondContact O-N 3.34Å; A232-A272 HydrophobicContact CB-CB 3.93Å; A232-H273 CarbonylContact C-O 3.49Å; A232-H273 WeakPolarHBondContact CA-O 3.4Å; A232-I274 HydrophobicContact CB-CD1 4.37Å; A232-I274 HydrophobicContact CB-CG1 3.45Å; A232-I274 VanDerWaalsContact CB-CG1 3.45Å
233F88.2Confident89.6Confident82 Ų8255.6 Ų55.636%0.3628%0.282SS..EExtended strand (participates in β ladder)trans-83125.4165-72.5-93.7000109.6L241 A272 H273 P275 V281F233-L241 HydrophobicContact CB-CD1 4.24Å; F233-L241 HydrophobicContact CB-CD2 4.15Å; F233-L241 HydrophobicContact CD1-CD1 3.81Å; F233-L241 HydrophobicContact CD2-CD1 4.31Å; F233-L241 HydrophobicContact CD2-CD2 4.12Å; F233-L241 HydrophobicContact CE1-CD1 4.23Å; F233-L241 HydrophobicContact CG-CD1 3.85Å; F233-L241 HydrophobicContact CG-CD2 4.15Å; F233-A272 CarbonylContact O-C 3.56Å; F233-A272 WeakPolarHBondContact O-CA 3.09Å; F233-H273 PolarHBondContact N-O 2.85Å; F233-H273 PolarHBondContact O-N 2.8Å; F233-P275 HydrophobicContact CD2-CG 3.81Å; F233-P275 HydrophobicContact CE2-CG 3.73Å; F233-V281 HydrophobicContact CE2-CG2 3.98Å; F233-V281 HydrophobicContact CZ-CG1 4.29Å; F233-V281 HydrophobicContact CZ-CG2 4.4Å
234I87.8Confident89.8Confident131 Ų13156.8 Ų56.867%0.67228%0.284SS*.EExtended strand (participates in β ladder)trans-84117176.4-55.8170.2000108
235L88.8Confident89.9Confident10 Ų1056 Ų565%0.05228%0.281CS..PPolyproline II helixtrans-94.8144.8-178.4-54.4-179.8000110L241 V265 R270 E271 H273L235-L241 HydrophobicContact CD2-CB 3.72Å; L235-V265 HydrophobicContact CD1-CB 4.09Å; L235-V265 HydrophobicContact CD1-CG1 3.57Å; L235-R270 HydrophobicContact CD1-CG 4.41Å; L235-R270 WeakPolarHBondContact CD1-O 3.45Å; L235-E271 PolarHBondContact N-O 2.86Å; L235-H273 HydrophobicContact CD1-CB 4.15Å
236T88.3Confident89.9Confident51 Ų5158.4 Ų58.431%0.31330%0.295SS..BIsolated β-bridgetrans-132.4169.1177.168.60000110K238 K239T236-K238 PolarHBondContact O-N 3.12Å; T236-K238 PolarHBondContact OG1-N 3.48Å; T236-K239 PolarHBondContact N-O 3.44Å; T236-K239 CarbonylContact O-C 3.59Å; T236-K239 PolarHBondContact O-N 3.43Å; T236-K239 PolarHBondContact OG1-N 2.97Å
237D86.5Confident89.7Confident109 Ų10961 Ų6158%0.58330%0.299SS*.THydrogen-bonded Turntrans-49.7-25.8167.863.2-21.6000113.8F323D237-F323 VanDerWaalsContact O-CZ 3.31Å; D237-F323 WeakPolarHBondContact O-CZ 3.35Å
238K88.4Confident89.6Confident132 Ų13262.5 Ų62.557%0.57431%0.312SS*.THydrogen-bonded Turntrans-97.3-14.1179.3-65.9175.1-173.9-178.10115.2T236 N286 V287T236-K238 PolarHBondContact O-N 3.12Å; T236-K238 PolarHBondContact OG1-N 3.48Å; K238-N286 WeakPolarHBondContact O-CA 3.43Å; K238-V287 HydrophobicContact CB-CG1 4Å; K238-V287 HydrophobicContact CG-CG1 3.95Å; K238-V287 PolarHBondContact O-N 3.05Å
239K89.4Confident89.6Confident103 Ų10361 Ų6145%0.44830%0.303SS..EExtended strand (participates in β ladder)trans-133117.6-172-68.8-175.8177.8-176.60111.1T236 V284T236-K239 PolarHBondContact N-O 3.44Å; T236-K239 CarbonylContact O-C 3.59Å; T236-K239 PolarHBondContact O-N 3.43Å; T236-K239 PolarHBondContact OG1-N 2.97Å; K239-V284 HydrophobicContact CB-CG1 4.05Å; K239-V284 HydrophobicContact CD-CG1 4.22Å; K239-V284 HydrophobicContact CG-CG1 4.17Å
240A91.1Very high89.4Confident0 Ų064.3 Ų64.30%032%0.315CS..EExtended strand (participates in β ladder)trans-104.2152.8167.700000110.3L264 V265 T266 V284 V285 F323A240-L264 HydrophobicContact CB-CB 4.36Å; A240-L264 HydrophobicContact CB-CD1 4.37Å; A240-V265 WeakPolarHBondContact CA-O 3.28Å; A240-T266 HydrophobicContact CB-CG2 4.07Å; A240-V284 CarbonylContact O-C 3.56Å; A240-V284 WeakPolarHBondContact O-CA 3.33Å; A240-V285 PolarHBondContact N-O 3.42Å; A240-V285 PolarHBondContact O-N 3.25Å; A240-F323 HydrophobicContact CB-CD1 3.65Å; A240-F323 HydrophobicContact CB-CD2 4.24Å; A240-F323 HydrophobicContact CB-CE1 3.7Å; A240-F323 HydrophobicContact CB-CE2 4.3Å; A240-F323 HydrophobicContact CB-CG 3.92Å; A240-F323 HydrophobicContact CB-CZ 4.03Å
241L92.6Very high89Confident1 Ų163.7 Ų63.71%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-101.9123.2175.9-17073.5000109.7F233 L235 V243 L264 V265 H273 V281 V284F233-L241 HydrophobicContact CB-CD1 4.24Å; F233-L241 HydrophobicContact CB-CD2 4.15Å; F233-L241 HydrophobicContact CD1-CD1 3.81Å; F233-L241 HydrophobicContact CD2-CD1 4.31Å; F233-L241 HydrophobicContact CD2-CD2 4.12Å; F233-L241 HydrophobicContact CE1-CD1 4.23Å; F233-L241 HydrophobicContact CG-CD1 3.85Å; F233-L241 HydrophobicContact CG-CD2 4.15Å; L235-L241 HydrophobicContact CD2-CB 3.72Å; L241-V243 HydrophobicContact CD2-CG1 3.76Å; L241-V243 HydrophobicContact CG-CG1 3.9Å; L241-L264 CarbonylContact O-C 3.59Å; L241-L264 WeakPolarHBondContact O-CA 3.26Å; L241-V265 HydrophobicContact CB-CB 4.33Å; L241-V265 PolarHBondContact N-O 2.79Å; L241-V265 PolarHBondContact O-N 3.22Å; L241-H273 HydrophobicContact CD2-CB 4.44Å; L241-H273 VanDerWaalsContact CD2-CD2 3.49Å; L241-H273 WeakPolarHBondContact CD2-CD2 3.38Å; L241-V281 HydrophobicContact CD1-CG1 3.61Å; L241-V281 HydrophobicContact CD2-CG2 4.32Å; L241-V281 HydrophobicContact CG-CG1 4.23Å; L241-V284 HydrophobicContact CD1-CG2 4.1Å
242H92.8Very high88.2Confident27 Ų2763 Ų6313%0.12532%0.318CS..EExtended strand (participates in β ladder)trans-89.9118.5175178.7-162.9000109.4E262 L264 V282 G283 V285H242-E262 IonicContact CE1-OE2 3.27Å; H242-E262 PolarHBondContact CE1-OE2 2.88Å; H242-E262 VanDerWaalsContact CE1-OE2 3.27Å; H242-E262 IonicContact NE2-OE2 2.95Å; H242-E262 PolarHBondContact NE2-OE2 2.87Å; H242-L264 HydrophobicContact CB-CD2 3.71Å; H242-V282 HydrophobicContact CB-CB 4.43Å; H242-V282 PolarHBondContact O-N 2.97Å; H242-G283 PolarHBondContact N-O 3.02Å; H242-G283 PolarHBondContact O-N 2.99Å; H242-V285 HydrophobicContact CB-CG2 3.91Å
243V92Very high87.3Confident0 Ų064.9 Ų64.90%034%0.339CS..EExtended strand (participates in β ladder)trans-125.9150.1-175.9-660000111L241 E262 W263 V265 E280 V281L241-V243 HydrophobicContact CD2-CG1 3.76Å; L241-V243 HydrophobicContact CG-CG1 3.9Å; V243-E262 WeakPolarHBondContact O-CA 3Å; V243-W263 HydrophobicContact CB-CZ2 4.39Å; V243-W263 HydrophobicContact CG2-CD2 3.67Å; V243-W263 HydrophobicContact CG2-CE3 4.33Å; V243-W263 HydrophobicContact CG2-CG 4Å; V243-W263 HydrophobicContact CG2-CH2 4.15Å; V243-W263 HydrophobicContact CG2-CZ2 3.49Å; V243-W263 VanDerWaalsContact CG2-CZ2 3.49Å; V243-W263 VanDerWaalsContact CG2-NE1 3.28Å; V243-W263 WeakPolarHBondContact CG2-O 3.34Å; V243-W263 PolarHBondContact N-O 3.19Å; V243-W263 PolarHBondContact O-N 3.21Å; V243-V265 HydrophobicContact CG1-CG2 4.48Å; V243-V265 HydrophobicContact CG2-CG2 3.83Å; V243-E280 CarbonylContact C-O 3.58Å; V243-E280 VanDerWaalsContact CA-O 3.28Å; V243-E280 WeakPolarHBondContact CA-O 3.35Å; V243-V281 HydrophobicContact CG1-CG2 4.41Å
244R92.2Very high86.9Confident80 Ų8063.7 Ų63.730%0.30235%0.349SS..EExtended strand (participates in β ladder)trans-125.6137.6178.6177.216762.3-155.84.9110.5E261 E262 E279 E280 V282R244-E261 WeakPolarHBondContact CA-O 3.37Å; R244-E262 HydrophobicContact CB-CG 4.01Å; R244-E262 WeakPolarHBondContact CD-OE1 3.45Å; R244-E262 HydrophobicContact CG-CG 4Å; R244-E262 IonicContact NH1-OE1 2.7Å; R244-E262 PolarHBondContact NH1-OE1 2.86Å; R244-E279 CarbonylContact O-C 3.58Å; R244-E279 WeakPolarHBondContact O-CA 3.46Å; R244-E280 HydrophobicContact CB-CB 4.45Å; R244-E280 IonicContact CZ-OE2 3.76Å; R244-E280 PolarHBondContact N-O 3.47Å; R244-E280 IonicContact NE-OE2 3.54Å; R244-E280 PolarHBondContact NE-OE2 3.11Å; R244-E280 IonicContact NH2-OE1 3.3Å; R244-E280 PolarHBondContact NH2-OE1 3.43Å; R244-E280 VanDerWaalsContact NH2-OE1 3.07Å; R244-E280 IonicContact NH2-OE2 2.75Å; R244-E280 PolarHBondContact NH2-OE2 3.19Å; R244-E280 PolarHBondContact O-N 3.17Å; R244-V282 HydrophobicContact CB-CG2 3.74Å
245A91.4Very high86.7Confident2 Ų264.8 Ų64.82%0.01735%0.345CS..EExtended strand (participates in β ladder)trans-81.8123.4175.700000111.9F249 R257 R258 G260 E261 W263 A278A245-F249 HydrophobicContact CB-CD1 4.46Å; A245-F249 HydrophobicContact CB-CE1 3.95Å; A245-R257 HydrophobicContact CB-CB 4.05Å; A245-R258 VanDerWaalsContact CB-O 3.26Å; A245-R258 WeakPolarHBondContact CB-O 3.42Å; A245-G260 PolarHBondContact O-N 3.34Å; A245-E261 PolarHBondContact N-O 2.7Å; A245-W263 HydrophobicContact CB-CH2 3.96Å; A245-W263 HydrophobicContact CB-CZ3 3.71Å; A245-A278 WeakPolarHBondContact CA-O 3.47Å
246L88.5Confident86.6Confident96 Ų9670.9 Ų70.950%0.50337%0.374SS..SBendtrans-81.1-27.5175.6-67.1176.9000113T259 A278 E280L246-T259 WeakPolarHBondContact O-CG2 3.18Å; L246-A278 PolarHBondContact N-O 2.98Å; L246-E280 HydrophobicContact CD1-CB 4.31Å; L246-E280 HydrophobicContact CD2-CB 4.03Å; L246-E280 HydrophobicContact CG-CB 4.04Å
247R86.8Confident86.6Confident113 Ų11369.6 Ų69.643%0.42636%0.363SS..SBendtrans-148.2162.117959.5-179.7175.3173.9-1.9110F249 T259 A278R247-F249 VanDerWaalsContact O-CD1 3.31Å; R247-F249 WeakPolarHBondContact O-CD1 3.49Å; R247-F249 PolarHBondContact O-N 3.46Å; R247-T259 WeakPolarHBondContact CA-OG1 3.37Å; R247-A278 HydrophobicContact CG-CB 3.75Å
248P89.2Confident86.7Confident98 Ų9873.9 Ų73.964%0.63637%0.371SS*.  trans-67.4125.2177-16.131.7000110.3R257 T259P248-R257 VanDerWaalsContact CA-O 3.24Å; P248-R257 WeakPolarHBondContact CA-O 3.15Å; P248-T259 VanDerWaalsContact CD-OG1 3.29Å; P248-T259 WeakPolarHBondContact CD-OG1 3.48Å
249F88.2Confident86.8Confident37 Ų3771.8 Ų71.816%0.16237%0.369CS..EExtended strand (participates in β ladder)trans-155.4169.3178.679.2-65.9000110.7A245 R247 D251 R257 W263 A278 E279A245-F249 HydrophobicContact CB-CD1 4.46Å; A245-F249 HydrophobicContact CB-CE1 3.95Å; R247-F249 VanDerWaalsContact O-CD1 3.31Å; R247-F249 WeakPolarHBondContact O-CD1 3.49Å; R247-F249 PolarHBondContact O-N 3.46Å; F249-D251 HydrophobicContact CE2-CB 4.2Å; F249-D251 HydrophobicContact CZ-CB 4.27Å; F249-R257 HydrophobicContact CD1-CB 4.19Å; F249-R257 HydrophobicContact CE1-CB 3.9Å; F249-R257 HydrophobicContact CE1-CG 4.25Å; F249-R257 HydrophobicContact CZ-CG 4.49Å; F249-R257 PolarHBondContact N-O 3.08Å; F249-R257 PolarHBondContact O-N 3.4Å; F249-W263 HydrophobicContact CE1-CH2 4.09Å; F249-W263 HydrophobicContact CZ-CH2 4.11Å; F249-W263 HydrophobicContact CZ-CZ2 4.36Å; F249-A278 HydrophobicContact CB-CB 4.05Å; F249-A278 HydrophobicContact CD1-CB 3.49Å; F249-A278 VanDerWaalsContact CD1-CB 3.49Å; F249-A278 HydrophobicContact CD2-CB 3.85Å; F249-A278 HydrophobicContact CE1-CB 3.87Å; F249-A278 HydrophobicContact CE2-CB 4.2Å; F249-A278 HydrophobicContact CG-CB 3.5Å; F249-A278 HydrophobicContact CZ-CB 4.24Å; F249-E279 HydrophobicContact CE1-CG 4.02Å; F249-E279 HydrophobicContact CE2-CG 3.98Å; F249-E279 HydrophobicContact CZ-CG 3.28Å; F249-E279 VanDerWaalsContact CZ-OE1 3.29Å; F249-E279 WeakPolarHBondContact CZ-OE1 3.16Å
250K86.3Confident86.6Confident138 Ų13869.1 Ų69.160%0.637%0.371SS*.EExtended strand (participates in β ladder)trans-93.6121.5170.8-67.7-170.1-179.5-154.50108.7R255 E256K250-R255 WeakPolarHBondContact CA-O 3.47Å; K250-E256 HydrophobicContact CD-CG 4.38Å; K250-E256 WeakPolarHBondContact CE-OE1 3.29Å; K250-E256 HydrophobicContact CG-CG 4.03Å; K250-E256 IonicContact NZ-OE1 2.65Å; K250-E256 PolarHBondContact NZ-OE1 3.35Å
251D81.8Confident86.5Confident14 Ų1472.2 Ų72.28%0.07539%0.385CS..  trans-67165.9175.473.118.7000110.8F249 G253 G254 R255 R257F249-D251 HydrophobicContact CE2-CB 4.2Å; F249-D251 HydrophobicContact CZ-CB 4.27Å; D251-G253 PolarHBondContact O-N 2.94Å; D251-G253 VanDerWaalsContact O-N 3.11Å; D251-G253 VanDerWaalsContact OD1-CA 3.25Å; D251-G253 WeakPolarHBondContact OD1-CA 3.44Å; D251-G253 PolarHBondContact OD1-N 2.88Å; D251-G254 PolarHBondContact O-N 3.2Å; D251-G254 PolarHBondContact OD1-N 3.35Å; D251-R255 PolarHBondContact N-O 2.91Å; D251-R255 PolarHBondContact OD1-N 3.41Å; D251-R257 HydrophobicContact CB-CG 4.13Å; D251-R257 IonicContact OD2-CZ 3.26Å; D251-R257 IonicContact OD2-NE 3.29Å; D251-R257 PolarHBondContact OD2-NE 2.84Å; D251-R257 IonicContact OD2-NH2 2.66Å; D251-R257 PolarHBondContact OD2-NH2 2.91Å
252A72.8Confident86.4Confident81 Ų8175.5 Ų75.567%0.66940%0.401SS*.THydrogen-bonded Turntrans-66.7-9.3178.900000113.7R270A252-R270 VanDerWaalsContact CB-NH2 3.28Å
253G70.7Confident86.3Confident58 Ų5875.1 Ų75.160%0.59840%0.398SS*.THydrogen-bonded Turntrans-91.31.9169.800000113.6D251D251-G253 PolarHBondContact O-N 2.94Å; D251-G253 VanDerWaalsContact O-N 3.11Å; D251-G253 VanDerWaalsContact OD1-CA 3.25Å; D251-G253 WeakPolarHBondContact OD1-CA 3.44Å; D251-G253 PolarHBondContact OD1-N 2.88Å
254G79.1Confident86.2Confident56 Ų5675.9 Ų75.958%0.57740%0.402SS*.SBendtrans82.56.117900000115.3D251D251-G254 PolarHBondContact O-N 3.2Å; D251-G254 PolarHBondContact OD1-N 3.35Å
255R83.3Confident86.2Confident154 Ų15472.3 Ų72.358%0.58139%0.389SS*.  trans-85140.8177.7-58.7-179.5-177.4172.55.3110.6K250 D251K250-R255 WeakPolarHBondContact CA-O 3.47Å; D251-R255 PolarHBondContact N-O 2.91Å; D251-R255 PolarHBondContact OD1-N 3.41Å
256E87.9Confident86.1Confident139 Ų13973.8 Ų73.865%0.6540%0.398SS*.EExtended strand (participates in β ladder)trans-80.8118.7175.5-72.2-176.2178.300110K250K250-E256 HydrophobicContact CD-CG 4.38Å; K250-E256 WeakPolarHBondContact CE-OE1 3.29Å; K250-E256 HydrophobicContact CG-CG 4.03Å; K250-E256 IonicContact NZ-OE1 2.65Å; K250-E256 PolarHBondContact NZ-OE1 3.35Å
257R88.2Confident86.1Confident23 Ų2373.5 Ų73.59%0.08740%0.395CS..EExtended strand (participates in β ladder)trans-104.8136.9179.5-57.8-58-178.315910.4110.4A245 P248 F249 D251 E261 W263A245-R257 HydrophobicContact CB-CB 4.05Å; P248-R257 VanDerWaalsContact CA-O 3.24Å; P248-R257 WeakPolarHBondContact CA-O 3.15Å; F249-R257 HydrophobicContact CD1-CB 4.19Å; F249-R257 HydrophobicContact CE1-CB 3.9Å; F249-R257 HydrophobicContact CE1-CG 4.25Å; F249-R257 HydrophobicContact CZ-CG 4.49Å; F249-R257 PolarHBondContact N-O 3.08Å; F249-R257 PolarHBondContact O-N 3.4Å; D251-R257 HydrophobicContact CB-CG 4.13Å; D251-R257 IonicContact OD2-CZ 3.26Å; D251-R257 IonicContact OD2-NE 3.29Å; D251-R257 PolarHBondContact OD2-NE 2.84Å; D251-R257 IonicContact OD2-NH2 2.66Å; D251-R257 PolarHBondContact OD2-NH2 2.91Å; R257-E261 WeakPolarHBondContact CA-OE2 3.05Å; R257-E261 WeakPolarHBondContact CD-OE1 3.35Å; R257-E261 IonicContact CZ-OE1 2.87Å; R257-E261 IonicContact NE-OE1 2.67Å; R257-E261 IonicContact NH1-OE1 3.14Å; R257-E261 PolarHBondContact NH1-OE1 3.4Å; R257-W263 HydrophobicContact CB-CH2 4.18Å; R257-W263 HydrophobicContact CB-CZ3 4.14Å; R257-W263 HydrophobicContact CG-CE3 4.39Å; R257-W263 HydrophobicContact CG-CH2 3.75Å; R257-W263 HydrophobicContact CG-CZ2 4.07Å; R257-W263 HydrophobicContact CG-CZ3 3.91Å; R257-W263 VanDerWaalsContact CZ-CD2 3.49Å; R257-W263 VanDerWaalsContact NH2-CD1 3.29Å
258R89.1Confident86Confident200 Ų20072.8 Ų72.876%0.75541%0.413SS*.  trans-98.2155.2175.5-62.2-177.9-177.6-175.31.2110.7A245 G260 E261A245-R258 VanDerWaalsContact CB-O 3.26Å; A245-R258 WeakPolarHBondContact CB-O 3.42Å; R258-G260 PolarHBondContact O-N 3.23Å; R258-E261 PolarHBondContact N-OE2 2.79Å; R258-E261 WeakPolarHBondContact O-CB 3.42Å; R258-E261 PolarHBondContact O-N 3.44Å
259T89.6Confident85.7Confident87 Ų8772.1 Ų72.153%0.53441%0.405SS..THydrogen-bonded Turntrans-55.4131.1176.1-54.50000111.4L246 R247 P248 E261L246-T259 WeakPolarHBondContact O-CG2 3.18Å; R247-T259 WeakPolarHBondContact CA-OG1 3.37Å; P248-T259 VanDerWaalsContact CD-OG1 3.29Å; P248-T259 WeakPolarHBondContact CD-OG1 3.48Å; T259-E261 PolarHBondContact O-N 3.01Å
260G86Confident85.4Confident47 Ų4773.5 Ų73.549%0.48541%0.409SS..THydrogen-bonded Turntrans80.2-4.1-179.200000114.7A245 R258A245-G260 PolarHBondContact O-N 3.34Å; R258-G260 PolarHBondContact O-N 3.23Å
261E88.4Confident85.4Confident65 Ų6573.8 Ų73.830%0.30441%0.412SS..  trans-67.1134.7171.6-168.2-175.8148.100109.7R244 A245 R257 R258 T259 W263R244-E261 WeakPolarHBondContact CA-O 3.37Å; A245-E261 PolarHBondContact N-O 2.7Å; R257-E261 WeakPolarHBondContact CA-OE2 3.05Å; R257-E261 WeakPolarHBondContact CD-OE1 3.35Å; R257-E261 IonicContact CZ-OE1 2.87Å; R257-E261 IonicContact NE-OE1 2.67Å; R257-E261 IonicContact NH1-OE1 3.14Å; R257-E261 PolarHBondContact NH1-OE1 3.4Å; R258-E261 PolarHBondContact N-OE2 2.79Å; R258-E261 WeakPolarHBondContact O-CB 3.42Å; R258-E261 PolarHBondContact O-N 3.44Å; T259-E261 PolarHBondContact O-N 3.01Å; E261-W263 WeakPolarHBondContact O-CZ3 3.41Å
262E90.3Very high85.7Confident71 Ų7174.6 Ų74.633%0.33242%0.421SS..EExtended strand (participates in β ladder)trans-117.1140.7178.8-59.6-169.317200110H242 V243 R244 P326H242-E262 IonicContact CE1-OE2 3.27Å; H242-E262 PolarHBondContact CE1-OE2 2.88Å; H242-E262 VanDerWaalsContact CE1-OE2 3.27Å; H242-E262 IonicContact NE2-OE2 2.95Å; H242-E262 PolarHBondContact NE2-OE2 2.87Å; V243-E262 WeakPolarHBondContact O-CA 3Å; R244-E262 HydrophobicContact CB-CG 4.01Å; R244-E262 WeakPolarHBondContact CD-OE1 3.45Å; R244-E262 HydrophobicContact CG-CG 4Å; R244-E262 IonicContact NH1-OE1 2.7Å; R244-E262 PolarHBondContact NH1-OE1 2.86Å; E262-P326 HydrophobicContact CB-CB 3.75Å; E262-P326 HydrophobicContact CB-CG 4.07Å
263W90.2Very high86.5Confident19 Ų1970.8 Ų70.87%0.07239%0.389CS..EExtended strand (participates in β ladder)trans-150.7168176.267.596.4000111.4V243 A245 F249 R257 E261 E279V243-W263 HydrophobicContact CB-CZ2 4.39Å; V243-W263 HydrophobicContact CG2-CD2 3.67Å; V243-W263 HydrophobicContact CG2-CE3 4.33Å; V243-W263 HydrophobicContact CG2-CG 4Å; V243-W263 HydrophobicContact CG2-CH2 4.15Å; V243-W263 HydrophobicContact CG2-CZ2 3.49Å; V243-W263 VanDerWaalsContact CG2-CZ2 3.49Å; V243-W263 VanDerWaalsContact CG2-NE1 3.28Å; V243-W263 WeakPolarHBondContact CG2-O 3.34Å; V243-W263 PolarHBondContact N-O 3.19Å; V243-W263 PolarHBondContact O-N 3.21Å; A245-W263 HydrophobicContact CB-CH2 3.96Å; A245-W263 HydrophobicContact CB-CZ3 3.71Å; F249-W263 HydrophobicContact CE1-CH2 4.09Å; F249-W263 HydrophobicContact CZ-CH2 4.11Å; F249-W263 HydrophobicContact CZ-CZ2 4.36Å; R257-W263 HydrophobicContact CB-CH2 4.18Å; R257-W263 HydrophobicContact CB-CZ3 4.14Å; R257-W263 HydrophobicContact CG-CE3 4.39Å; R257-W263 HydrophobicContact CG-CH2 3.75Å; R257-W263 HydrophobicContact CG-CZ2 4.07Å; R257-W263 HydrophobicContact CG-CZ3 3.91Å; R257-W263 VanDerWaalsContact CZ-CD2 3.49Å; R257-W263 VanDerWaalsContact NH2-CD1 3.29Å; E261-W263 WeakPolarHBondContact O-CZ3 3.41Å; W263-E279 HydrophobicContact CH2-CG 4.26Å; W263-E279 HydrophobicContact CZ2-CG 4.23Å
264L91.1Very high87.4Confident16 Ų1670.1 Ų70.18%0.08437%0.371CS..EExtended strand (participates in β ladder)trans-99.3137.4171.8-59.7-177.2000110.7A240 L241 H242 T266 V285 F323 L324 P326A240-L264 HydrophobicContact CB-CB 4.36Å; A240-L264 HydrophobicContact CB-CD1 4.37Å; L241-L264 CarbonylContact O-C 3.59Å; L241-L264 WeakPolarHBondContact O-CA 3.26Å; H242-L264 HydrophobicContact CB-CD2 3.71Å; L264-T266 HydrophobicContact CB-CG2 4.47Å; L264-V285 HydrophobicContact CD2-CB 4.32Å; L264-V285 HydrophobicContact CD2-CG2 3.84Å; L264-F323 HydrophobicContact CD1-CB 3.62Å; L264-F323 HydrophobicContact CD1-CG 4.49Å; L264-L324 WeakPolarHBondContact CD1-O 3.46Å; L264-P326 HydrophobicContact CD2-CG 4.38Å; L264-P326 HydrophobicContact CG-CG 4.43Å
265V90.8Very high87.9Confident5 Ų568.1 Ų68.13%0.0335%0.348CS..EExtended strand (participates in β ladder)trans-100.5122.3164.3-170.10000107.5L235 A240 L241 V243 D269 R270 H273L235-V265 HydrophobicContact CD1-CB 4.09Å; L235-V265 HydrophobicContact CD1-CG1 3.57Å; A240-V265 WeakPolarHBondContact CA-O 3.28Å; L241-V265 HydrophobicContact CB-CB 4.33Å; L241-V265 PolarHBondContact N-O 2.79Å; L241-V265 PolarHBondContact O-N 3.22Å; V243-V265 HydrophobicContact CG1-CG2 4.48Å; V243-V265 HydrophobicContact CG2-CG2 3.83Å; V265-D269 HydrophobicContact CG1-CB 4.25Å; V265-R270 HydrophobicContact CG1-CG 4.18Å; V265-H273 HydrophobicContact CG1-CB 4.24Å
266T90.2Very high88.1Confident32 Ų3262.9 Ų62.920%0.19634%0.335CS..  trans-112.8168.5-177.366.70000111.1A240 L264 A268 D269 R270 F323A240-T266 HydrophobicContact CB-CG2 4.07Å; L264-T266 HydrophobicContact CB-CG2 4.47Å; T266-A268 PolarHBondContact O-N 3.21Å; T266-A268 VanDerWaalsContact O-N 3.17Å; T266-A268 PolarHBondContact OG1-N 3.46Å; T266-D269 PolarHBondContact N-OD2 2.72Å; T266-D269 PolarHBondContact O-N 3.33Å; T266-D269 PolarHBondContact OG1-OD2 2.69Å; T266-D269 VanDerWaalsContact OG1-OD2 3.05Å; T266-R270 PolarHBondContact O-N 3.46Å; T266-F323 HydrophobicContact CG2-CD2 4.16Å; T266-F323 HydrophobicContact CG2-CE2 4.25Å
267M88.4Confident88Confident90 Ų9057.5 Ų57.544%0.44331%0.312SS..THydrogen-bonded Turntrans-57.3-27.1173.3-174-178.8177.400112.7D269M267-D269 PolarHBondContact O-N 3.27Å
268A84.3Confident88Confident98 Ų9856.5 Ų56.581%0.8131%0.308SS*.THydrogen-bonded Turntrans-66.8-26.6176.600000112.9T266T266-A268 PolarHBondContact O-N 3.21Å; T266-A268 VanDerWaalsContact O-N 3.17Å; T266-A268 PolarHBondContact OG1-N 3.46Å
269D82.6Confident88.1Confident85 Ų8547.7 Ų47.746%0.45528%0.276SS..THydrogen-bonded Turntrans-83.6-45.7176.4-54.8-63.7000111V265 T266 M267V265-D269 HydrophobicContact CG1-CB 4.25Å; T266-D269 PolarHBondContact N-OD2 2.72Å; T266-D269 PolarHBondContact O-N 3.33Å; T266-D269 PolarHBondContact OG1-OD2 2.69Å; T266-D269 VanDerWaalsContact OG1-OD2 3.05Å; M267-D269 PolarHBondContact O-N 3.27Å
270R83.5Confident88.1Confident65 Ų6546.9 Ų46.925%0.24527%0.266CS..  trans-167.9154.6177.663.1-16879.6172.93.6112.2L235 A252 V265 T266 A272 H273L235-R270 HydrophobicContact CD1-CG 4.41Å; L235-R270 WeakPolarHBondContact CD1-O 3.45Å; A252-R270 VanDerWaalsContact CB-NH2 3.28Å; V265-R270 HydrophobicContact CG1-CG 4.18Å; T266-R270 PolarHBondContact O-N 3.46Å; R270-A272 VanDerWaalsContact CD-O 3.29Å; R270-A272 WeakPolarHBondContact CD-O 3.48Å; R270-A272 WeakPolarHBondContact CG-O 3.35Å; R270-H273 HydrophobicContact CG-CB 4.16Å; R270-H273 PolarHBondContact NH1-ND1 2.78Å; R270-H273 VanDerWaalsContact NH1-ND1 3.13Å
271E86.1Confident88.4Confident145 Ų14547 Ų4768%0.67826%0.257SS*.SBendtrans-75.1-36.5176.9-63.2-178.7172.900113.3L235L235-E271 PolarHBondContact N-O 2.86Å
272A87.2Confident88.5Confident30 Ų3047 Ų4725%0.24826%0.261CS..EExtended strand (participates in β ladder)trans-129.9128.6179.800000110.1A232 F233 R270A232-A272 HydrophobicContact CB-CB 3.93Å; F233-A272 CarbonylContact O-C 3.56Å; F233-A272 WeakPolarHBondContact O-CA 3.09Å; R270-A272 VanDerWaalsContact CD-O 3.29Å; R270-A272 WeakPolarHBondContact CD-O 3.48Å; R270-A272 WeakPolarHBondContact CG-O 3.35Å
273H89.6Confident88.5Confident1 Ų144.8 Ų44.81%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-118.6115.4-179.8-176.482.6000110.6A232 F233 L235 L241 V265 R270 P275 E279A232-H273 CarbonylContact C-O 3.49Å; A232-H273 WeakPolarHBondContact CA-O 3.4Å; F233-H273 PolarHBondContact N-O 2.85Å; F233-H273 PolarHBondContact O-N 2.8Å; L235-H273 HydrophobicContact CD1-CB 4.15Å; L241-H273 HydrophobicContact CD2-CB 4.44Å; L241-H273 VanDerWaalsContact CD2-CD2 3.49Å; L241-H273 WeakPolarHBondContact CD2-CD2 3.38Å; V265-H273 HydrophobicContact CG1-CB 4.24Å; R270-H273 HydrophobicContact CG-CB 4.16Å; R270-H273 PolarHBondContact NH1-ND1 2.78Å; R270-H273 VanDerWaalsContact NH1-ND1 3.13Å; H273-P275 WeakPolarHBondContact O-CD 3.4Å; H273-E279 IonicContact CE1-OE1 3.81Å; H273-E279 IonicContact CE1-OE2 3.34Å; H273-E279 PolarHBondContact CE1-OE2 2.67Å; H273-E279 IonicContact NE2-OE2 2.67Å; H273-E279 PolarHBondContact NE2-OE2 3.04Å; H273-E279 VanDerWaalsContact NE2-OE2 3.14Å
274I89.6Confident88.5Confident44 Ų4447.5 Ų47.523%0.22628%0.276CS..  trans-90.3115.3169.4-59173.1000106.8A187 L211 V230 A232 S276A187-I274 HydrophobicContact CB-CD1 4.21Å; A187-I274 HydrophobicContact CB-CG2 3.95Å; L211-I274 HydrophobicContact CD1-CG2 4.33Å; V230-I274 HydrophobicContact CB-CG2 4.31Å; V230-I274 HydrophobicContact CG1-CG2 3.91Å; A232-I274 HydrophobicContact CB-CD1 4.37Å; A232-I274 HydrophobicContact CB-CG1 3.45Å; A232-I274 VanDerWaalsContact CB-CG1 3.45Å; I274-S276 PolarHBondContact O-N 2.73Å
275P89.2Confident88.5Confident15 Ų1548.2 Ų48.210%0.09728%0.282CS..  trans-61.1129178-21.433000110.8L211 F233 H273 E279 V281L211-P275 WeakPolarHBondContact CD1-O 3.3Å; F233-P275 HydrophobicContact CD2-CG 3.81Å; F233-P275 HydrophobicContact CE2-CG 3.73Å; H273-P275 WeakPolarHBondContact O-CD 3.4Å; P275-E279 WeakPolarHBondContact CA-OE2 3.4Å; P275-V281 HydrophobicContact CB-CG2 3.85Å; P275-V281 HydrophobicContact CG-CG2 3.43Å; P275-V281 VanDerWaalsContact CG-CG2 3.43Å
276S87.1Confident88.5Confident44 Ų4453 Ų5331%0.30831%0.307SS..  trans-67.5162.1173.3-175.50000111.4I274 A278 E279I274-S276 PolarHBondContact O-N 2.73Å; S276-A278 PolarHBondContact O-N 3.45Å; S276-E279 WeakPolarHBondContact CB-OE2 3.5Å; S276-E279 PolarHBondContact N-OE2 3.42Å; S276-E279 PolarHBondContact O-N 3.42Å; S276-E279 VanDerWaalsContact O-O 3.1Å
277V87.5Confident88.6Confident25 Ų2553 Ų5315%0.15231%0.307CS..THydrogen-bonded Turntrans-60.3-26.4172.1-1760000112E209 L211 E279E209-V277 HydrophobicContact CB-CG1 3.74Å; E209-V277 HydrophobicContact CB-CG2 4.45Å; L211-V277 HydrophobicContact CD1-CG2 4.36Å; L211-V277 HydrophobicContact CG-CG2 3.92Å; V277-E279 VanDerWaalsContact C-N 3.32Å
278A87.6Confident88.7Confident2 Ų249.5 Ų49.52%0.01729%0.291CS..THydrogen-bonded Turntrans-85.9-3.1176.800000113.6A245 L246 R247 F249 S276A245-A278 WeakPolarHBondContact CA-O 3.47Å; L246-A278 PolarHBondContact N-O 2.98Å; R247-A278 HydrophobicContact CG-CB 3.75Å; F249-A278 HydrophobicContact CB-CB 4.05Å; F249-A278 HydrophobicContact CD1-CB 3.49Å; F249-A278 VanDerWaalsContact CD1-CB 3.49Å; F249-A278 HydrophobicContact CD2-CB 3.85Å; F249-A278 HydrophobicContact CE1-CB 3.87Å; F249-A278 HydrophobicContact CE2-CB 4.2Å; F249-A278 HydrophobicContact CG-CB 3.5Å; F249-A278 HydrophobicContact CZ-CB 4.24Å; S276-A278 PolarHBondContact O-N 3.45Å
279E90.1Very high88.9Confident16 Ų1648.3 Ų48.38%0.07527%0.273CS..EExtended strand (participates in β ladder)trans-109.9134.3-178.3-67.1168.4166.700109.8R244 F249 W263 H273 P275 S276 V277R244-E279 CarbonylContact O-C 3.58Å; R244-E279 WeakPolarHBondContact O-CA 3.46Å; F249-E279 HydrophobicContact CE1-CG 4.02Å; F249-E279 HydrophobicContact CE2-CG 3.98Å; F249-E279 HydrophobicContact CZ-CG 3.28Å; F249-E279 VanDerWaalsContact CZ-OE1 3.29Å; F249-E279 WeakPolarHBondContact CZ-OE1 3.16Å; W263-E279 HydrophobicContact CH2-CG 4.26Å; W263-E279 HydrophobicContact CZ2-CG 4.23Å; H273-E279 IonicContact CE1-OE1 3.81Å; H273-E279 IonicContact CE1-OE2 3.34Å; H273-E279 PolarHBondContact CE1-OE2 2.67Å; H273-E279 IonicContact NE2-OE2 2.67Å; H273-E279 PolarHBondContact NE2-OE2 3.04Å; H273-E279 VanDerWaalsContact NE2-OE2 3.14Å; P275-E279 WeakPolarHBondContact CA-OE2 3.4Å; S276-E279 WeakPolarHBondContact CB-OE2 3.5Å; S276-E279 PolarHBondContact N-OE2 3.42Å; S276-E279 PolarHBondContact O-N 3.42Å; S276-E279 VanDerWaalsContact O-O 3.1Å; V277-E279 VanDerWaalsContact C-N 3.32Å
280E90.3Very high89.3Confident70 Ų7044.5 Ų44.533%0.32725%0.253SS..EExtended strand (participates in β ladder)trans-109.1128.1169.8-176.7-174.5-173.500108.4V243 R244 L246 V282V243-E280 CarbonylContact C-O 3.58Å; V243-E280 VanDerWaalsContact CA-O 3.28Å; V243-E280 WeakPolarHBondContact CA-O 3.35Å; R244-E280 HydrophobicContact CB-CB 4.45Å; R244-E280 IonicContact CZ-OE2 3.76Å; R244-E280 PolarHBondContact N-O 3.47Å; R244-E280 IonicContact NE-OE2 3.54Å; R244-E280 PolarHBondContact NE-OE2 3.11Å; R244-E280 IonicContact NH2-OE1 3.3Å; R244-E280 PolarHBondContact NH2-OE1 3.43Å; R244-E280 VanDerWaalsContact NH2-OE1 3.07Å; R244-E280 IonicContact NH2-OE2 2.75Å; R244-E280 PolarHBondContact NH2-OE2 3.19Å; R244-E280 PolarHBondContact O-N 3.17Å; L246-E280 HydrophobicContact CD1-CB 4.31Å; L246-E280 HydrophobicContact CD2-CB 4.03Å; L246-E280 HydrophobicContact CG-CB 4.04Å; E280-V282 PolarHBondContact O-N 3.37Å
281V91.6Very high89.5Confident48 Ų4843.7 Ų43.729%0.29126%0.257SS..EExtended strand (participates in β ladder)trans-81.5111.5174.9179.60000108.3F233 L241 V243 P275F233-V281 HydrophobicContact CE2-CG2 3.98Å; F233-V281 HydrophobicContact CZ-CG1 4.29Å; F233-V281 HydrophobicContact CZ-CG2 4.4Å; L241-V281 HydrophobicContact CD1-CG1 3.61Å; L241-V281 HydrophobicContact CD2-CG2 4.32Å; L241-V281 HydrophobicContact CG-CG1 4.23Å; V243-V281 HydrophobicContact CG1-CG2 4.41Å; P275-V281 HydrophobicContact CB-CG2 3.85Å; P275-V281 HydrophobicContact CG-CG2 3.43Å; P275-V281 VanDerWaalsContact CG-CG2 3.43Å
282V91.3Very high89.5Confident65 Ų6540.7 Ų40.739%0.39425%0.252SS..EExtended strand (participates in β ladder)trans-78-41.6176.5-177.20000110.1H242 R244 E280H242-V282 HydrophobicContact CB-CB 4.43Å; H242-V282 PolarHBondContact O-N 2.97Å; R244-V282 HydrophobicContact CB-CG2 3.74Å; E280-V282 PolarHBondContact O-N 3.37Å
283G89.5Confident89.5Confident26 Ų2646 Ų4627%0.26827%0.265SS..EExtended strand (participates in β ladder)trans176.3-174.9179.600000114.7H242H242-G283 PolarHBondContact N-O 3.02Å; H242-G283 PolarHBondContact O-N 2.99Å
284V90.6Very high89.6Confident75 Ų7548.8 Ų48.846%0.45528%0.279SS..EExtended strand (participates in β ladder)trans-110.4123.1174.1-179.90000108.3K239 A240 L241K239-V284 HydrophobicContact CB-CG1 4.05Å; K239-V284 HydrophobicContact CD-CG1 4.22Å; K239-V284 HydrophobicContact CG-CG1 4.17Å; A240-V284 CarbonylContact O-C 3.56Å; A240-V284 WeakPolarHBondContact O-CA 3.33Å; L241-V284 HydrophobicContact CD1-CG2 4.1Å
285V91.4Very high89.7Confident32 Ų3246.9 Ų46.919%0.19427%0.269CS..EExtended strand (participates in β ladder)trans-98.9125.3-179.7-179.60000109.1A240 H242 L264 F323A240-V285 PolarHBondContact N-O 3.42Å; A240-V285 PolarHBondContact O-N 3.25Å; H242-V285 HydrophobicContact CB-CG2 3.91Å; L264-V285 HydrophobicContact CD2-CB 4.32Å; L264-V285 HydrophobicContact CD2-CG2 3.84Å; V285-F323 HydrophobicContact CG1-CD1 4.32Å
286N90.7Very high89.8Confident104 Ų10446.2 Ų46.256%0.55626%0.264SS*.EExtended strand (participates in β ladder)trans-84148.1176.1-63.9-45.5000110.6K238 T288K238-N286 WeakPolarHBondContact O-CA 3.43Å; N286-T288 PolarHBondContact O-N 3.41Å
287V92.5Very high90Very high33 Ų3344.7 Ų44.720%0.225%0.253CS..PPolyproline II helixtrans-63.2134175.467.50000110.7K238 T289 F323K238-V287 HydrophobicContact CB-CG1 4Å; K238-V287 HydrophobicContact CG-CG1 3.95Å; K238-V287 PolarHBondContact O-N 3.05Å; V287-T289 HydrophobicContact CG1-CG2 3.93Å; V287-T289 HydrophobicContact CG2-CG2 4.16Å; V287-F323 HydrophobicContact CB-CD1 4.15Å; V287-F323 HydrophobicContact CB-CE1 3.67Å; V287-F323 HydrophobicContact CB-CZ 4.01Å; V287-F323 HydrophobicContact CG2-CE1 4.37Å; V287-F323 HydrophobicContact CG2-CZ 4.4Å
288T91Very high90.3Very high17 Ų1743.8 Ų43.810%0.10425%0.247CC..EExtended strand (participates in β ladder)trans-92.6117.2169.3-59.80000108N286 S321 F322 L330 I334N286-T288 PolarHBondContact O-N 3.41Å; T288-S321 WeakPolarHBondContact O-CA 3.26Å; T288-F322 WeakPolarHBondContact CA-O 3.41Å; T288-F322 WeakPolarHBondContact CB-O 3.32Å; T288-F322 HydrophobicContact CG2-CE1 4.21Å; T288-F322 HydrophobicContact CG2-CZ 4.05Å; T288-F322 PolarHBondContact N-O 3.15Å; T288-F322 PolarHBondContact O-N 3.4Å; T288-L330 HydrophobicContact CG2-CD1 4.29Å; T288-I334 HydrophobicContact CG2-CD1 4.12Å; T288-I334 HydrophobicContact CG2-CG1 4.26Å
289T88.6Confident90.4Very high72 Ų7245.9 Ų45.944%0.44226%0.258SS..EExtended strand (participates in β ladder)trans-111.3122.6-178.359.70000110.2V287 S321V287-T289 HydrophobicContact CG1-CG2 3.93Å; V287-T289 HydrophobicContact CG2-CG2 4.16Å; T289-S321 WeakPolarHBondContact CG2-OG 3.46Å
290L90.3Very high90.4Very high6 Ų647.3 Ų47.33%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-101.6134.4173.4-61.1176.1000109.5Q294 C296 V316 G318 E319 L320 F322 I334L290-Q294 HydrophobicContact CD2-CB 4.26Å; L290-C296 HydrophobicContact CD2-CB 4.26Å; L290-V316 HydrophobicContact CD1-CB 4.24Å; L290-V316 HydrophobicContact CD1-CG1 3.81Å; L290-G318 WeakPolarHBondContact CB-O 3.47Å; L290-E319 WeakPolarHBondContact O-CA 3.46Å; L290-L320 PolarHBondContact N-O 2.85Å; L290-L320 PolarHBondContact O-N 3.4Å; L290-F322 HydrophobicContact CD1-CE1 3.91Å; L290-F322 HydrophobicContact CG-CE1 4.22Å; L290-I334 HydrophobicContact CD2-CB 4.38Å; L290-I334 HydrophobicContact CD2-CD1 4.49Å; L290-I334 HydrophobicContact CD2-CG1 4.05Å; L290-I334 HydrophobicContact CD2-CG2 3.68Å
291S88.9Confident90.5Very high47 Ų4744.3 Ų44.333%0.32925%0.253SS..  trans-84.6172.1167.662.60000111.7R293 Q294S291-R293 PolarHBondContact O-N 3.41Å; S291-R293 VanDerWaalsContact O-N 3.09Å; S291-Q294 VanDerWaalsContact N-OE1 3.11Å; S291-Q294 PolarHBondContact O-N 2.74Å; S291-Q294 VanDerWaalsContact OG-CG 3.28Å; S291-Q294 WeakPolarHBondContact OG-CG 2.91Å; S291-Q294 PolarHBondContact OG-OE1 2.97Å
292S85.3Confident90.3Very high82 Ų8243.5 Ų43.557%0.57325%0.248SC*.THydrogen-bonded Turntrans-55.2-27.5177.856.60000114.4
293R86.8Confident89.9Confident141 Ų14141.1 Ų41.153%0.53224%0.237SC..THydrogen-bonded Turntrans-106.119.6178.7-69.6-172.1165.8173.6-0.8113.9S291 S336 V337 E399S291-R293 PolarHBondContact O-N 3.41Å; S291-R293 VanDerWaalsContact O-N 3.09Å; R293-S336 WeakPolarHBondContact O-CA 3.42Å; R293-V337 VanDerWaalsContact C-CG2 3.42Å; R293-V337 WeakPolarHBondContact O-CG2 3.5Å; R293-V337 PolarHBondContact O-N 2.64Å; R293-E399 IonicContact CZ-OE1 2.94Å; R293-E399 IonicContact NE-OE1 2.8Å; R293-E399 PolarHBondContact NE-OE1 3.31Å; R293-E399 IonicContact NH2-OE1 3.81Å; R293-E399 PolarHBondContact NH2-OE1 3Å
294Q91.1Very high89.4Confident60 Ų6047.6 Ų47.628%0.2827%0.271SS..EExtended strand (participates in β ladder)trans-122.9151.7176.3-73.9169.6-3000111.1L290 S291 I334 Q335L290-Q294 HydrophobicContact CD2-CB 4.26Å; S291-Q294 VanDerWaalsContact N-OE1 3.11Å; S291-Q294 PolarHBondContact O-N 2.74Å; S291-Q294 VanDerWaalsContact OG-CG 3.28Å; S291-Q294 WeakPolarHBondContact OG-CG 2.91Å; S291-Q294 PolarHBondContact OG-OE1 2.97Å; Q294-I334 HydrophobicContact CB-CG2 3.81Å; Q294-I334 HydrophobicContact CG-CG2 3.9Å; Q294-Q335 CarbonylContact C-O 3.55Å; Q294-Q335 WeakPolarHBondContact CA-O 3.43Å; Q294-Q335 WeakPolarHBondContact CB-O 3.31Å
295Y92.8Very high88.8Confident5 Ų549 Ų492%0.0228%0.276CS..EExtended strand (participates in β ladder)trans-145.4162.7172.677.9-80.8000109V297 V315 V316 Q335 S336 V337 V401 P402Y295-V297 HydrophobicContact CE2-CG2 4.27Å; Y295-V315 HydrophobicContact CD2-CG1 4Å; Y295-V316 CarbonylContact C-O 3.52Å; Y295-V316 VanDerWaalsContact CA-O 3.27Å; Y295-V316 WeakPolarHBondContact CA-O 3.43Å; Y295-V316 WeakPolarHBondContact CB-O 3.47Å; Y295-Q335 HydrophobicContact CD1-CB 4.08Å; Y295-Q335 HydrophobicContact CE1-CB 3.69Å; Y295-Q335 HydrophobicContact CE2-CB 4.36Å; Y295-Q335 PolarHBondContact N-O 2.71Å; Y295-Q335 WeakPolarHBondContact O-CA 3.42Å; Y295-Q335 PolarHBondContact O-N 3.12Å; Y295-Q335 VanDerWaalsContact O-O 3.08Å; Y295-Q335 PolarHBondContact OH-OE1 3.48Å; Y295-S336 WeakPolarHBondContact CE1-O 3.46Å; Y295-V337 HydrophobicContact CD1-CG2 4.09Å; Y295-V401 HydrophobicContact CD1-CG1 4.11Å; Y295-V401 HydrophobicContact CD1-CG2 4.21Å; Y295-V401 HydrophobicContact CD2-CG1 3.5Å; Y295-V401 HydrophobicContact CE1-CG1 4.47Å; Y295-V401 HydrophobicContact CE2-CG1 3.91Å; Y295-V401 HydrophobicContact CG-CG1 3.6Å; Y295-V401 HydrophobicContact CG-CG2 4.28Å; Y295-P402 HydrophobicContact CE2-CG 4.29Å; Y295-P402 WeakPolarHBondContact OH-CG 3.45Å
296C91.9Very high88.1Confident0 Ų050.2 Ų50.20%030%0.295CS..EExtended strand (participates in β ladder)trans-142.5164.3170.366.90000110.6L290 V316 L330 G333L290-C296 HydrophobicContact CD2-CB 4.26Å; C296-V316 PolarHBondContact N-O 2.98Å; C296-V316 PolarHBondContact O-N 3.41Å; C296-L330 HydrophobicContact CB-CD2 3.94Å; C296-G333 VanDerWaalsContact CB-O 3.29Å; C296-G333 WeakPolarHBondContact CB-O 3.4Å
297V91.4Very high87.7Confident13 Ų1351.8 Ų51.88%0.07930%0.297CS..EExtended strand (participates in β ladder)trans-115.9117.1176.3-173.80000107.3Y295 K313 V315 L330 E331Y295-V297 HydrophobicContact CE2-CG2 4.27Å; V297-K313 HydrophobicContact CG1-CB 3.96Å; V297-K313 HydrophobicContact CG1-CD 4.26Å; V297-K313 HydrophobicContact CG1-CG 4.47Å; V297-V315 HydrophobicContact CG2-CG2 4.21Å; V297-L330 WeakPolarHBondContact O-CA 3.39Å; V297-E331 HydrophobicContact CB-CB 4.26Å; V297-E331 PolarHBondContact O-N 3.04Å
298I92.3Very high87.4Confident5 Ų552.9 Ų52.93%0.02631%0.305CS..EExtended strand (participates in β ladder)trans-88.3124175.7-58.8174.5000107.8P301 K313 K314 V316 F322 L324 E328 E329 L330I298-P301 HydrophobicContact CG2-CB 4.24Å; I298-K313 WeakPolarHBondContact O-CA 3.14Å; I298-K314 PolarHBondContact N-O 3.36Å; I298-K314 PolarHBondContact O-N 2.97Å; I298-V316 HydrophobicContact CD1-CG2 3.63Å; I298-V316 HydrophobicContact CG1-CG2 4.25Å; I298-F322 HydrophobicContact CD1-CD2 4.49Å; I298-F322 HydrophobicContact CD1-CE2 3.59Å; I298-F322 HydrophobicContact CD1-CZ 3.92Å; I298-F322 HydrophobicContact CG1-CE2 4.4Å; I298-F322 HydrophobicContact CG1-CZ 4.49Å; I298-L324 HydrophobicContact CG1-CD2 4.43Å; I298-E328 HydrophobicContact CG2-CB 3.79Å; I298-E328 HydrophobicContact CG2-CG 3.82Å; I298-E329 WeakPolarHBondContact CA-O 3.45Å; I298-L330 HydrophobicContact CG1-CD2 4.03Å
299L90.2Very high87.3Confident47 Ų4756.3 Ų56.325%0.24632%0.319CS..EExtended strand (participates in β ladder)trans-83.7143.5168.4-59.6-178.8000109.4K313 E329 E331L299-K313 HydrophobicContact CD2-CD 4.13Å; L299-K313 HydrophobicContact CD2-CG 3.85Å; L299-E329 PolarHBondContact N-O 3.39Å; L299-E329 PolarHBondContact O-N 3.06Å; L299-E331 HydrophobicContact CD1-CB 4.08Å; L299-E331 HydrophobicContact CD1-CG 4.38Å; L299-E331 HydrophobicContact CD2-CB 3.91Å; L299-E331 HydrophobicContact CD2-CG 4.24Å; L299-E331 HydrophobicContact CG-CB 3.89Å
300D90.9Very high87.1Confident45 Ų4559.5 Ų59.524%0.24133%0.333CS..SBendtrans51.449.3178-58.5-15.8000113.6V302 P308 Q309 L310 G311 Q312D300-V302 PolarHBondContact O-N 2.85Å; D300-P308 HydrophobicContact CB-CB 4.29Å; D300-P308 WeakPolarHBondContact O-CB 3.27Å; D300-Q309 WeakPolarHBondContact CA-O 3.45Å; D300-L310 HydrophobicContact CB-CD2 4.42Å; D300-L310 WeakPolarHBondContact OD1-CA 3.34Å; D300-G311 PolarHBondContact OD1-N 3.02Å; D300-Q312 PolarHBondContact N-O 2.89Å
301P91Very high86.7Confident7 Ų762.4 Ų62.45%0.04537%0.365CS..  trans-57.5139.1-174.128.5-37.6000110.9I298 G303 Q309 Q312 K314 E328I298-P301 HydrophobicContact CG2-CB 4.24Å; P301-G303 PolarHBondContact O-N 3.32Å; P301-Q309 WeakPolarHBondContact O-CB 3.41Å; P301-Q309 WeakPolarHBondContact O-CG 3.31Å; P301-Q309 PolarHBondContact O-N 3.42Å; P301-Q312 VanDerWaalsContact CD-O 3.27Å; P301-Q312 WeakPolarHBondContact CD-O 3.34Å; P301-Q312 HydrophobicContact CG-CB 4.31Å; P301-K314 HydrophobicContact CB-CB 3.77Å; P301-K314 HydrophobicContact CB-CD 4.01Å; P301-K314 HydrophobicContact CG-CB 3.82Å; P301-E328 WeakPolarHBondContact CA-OE1 3.4Å
302V88.4Confident86.5Confident32 Ų3265.5 Ų65.519%0.19437%0.374CS..BIsolated β-bridgetrans-76.4123.5179.4174.60000109.7D300 K307 P308 Q325 E328D300-V302 PolarHBondContact O-N 2.85Å; V302-K307 WeakPolarHBondContact CA-O 3.41Å; V302-P308 HydrophobicContact CG2-CB 4.33Å; V302-Q325 HydrophobicContact CB-CB 4.05Å; V302-Q325 HydrophobicContact CB-CG 4.26Å; V302-Q325 HydrophobicContact CG2-CB 3.66Å; V302-Q325 HydrophobicContact CG2-CG 4.42Å; V302-E328 HydrophobicContact CG2-CG 3.99Å; V302-E328 PolarHBondContact N-OE1 3.27Å
303G82.1Confident86.6Confident15 Ų1565.7 Ų65.716%0.15537%0.365CS..  trans-74177.1178.800000113.4P301 D305 G306 K307P301-G303 PolarHBondContact O-N 3.32Å; G303-D305 VanDerWaalsContact C-OD1 3.31Å; G303-D305 VanDerWaalsContact CA-OD1 3.27Å; G303-D305 WeakPolarHBondContact CA-OD1 3.42Å; G303-D305 PolarHBondContact O-N 3.16Å; G303-D305 VanDerWaalsContact O-N 3.17Å; G303-G306 PolarHBondContact O-N 2.96Å; G303-K307 PolarHBondContact N-O 3.37Å
304T79.3Confident86.7Confident162 Ų16264.4 Ų64.499%0.99436%0.363SS*.THydrogen-bonded Turntrans-63.9-16.9173.150.80000113.3
305D77Confident86.7Confident104 Ų10463.5 Ų63.556%0.55636%0.361SS*.THydrogen-bonded Turntrans-80.2-2.7173.462.7-27.9000113.3G303 K307G303-D305 VanDerWaalsContact C-OD1 3.31Å; G303-D305 VanDerWaalsContact CA-OD1 3.27Å; G303-D305 WeakPolarHBondContact CA-OD1 3.42Å; G303-D305 PolarHBondContact O-N 3.16Å; G303-D305 VanDerWaalsContact O-N 3.17Å; D305-K307 VanDerWaalsContact C-N 3.29Å; D305-K307 PolarHBondContact O-N 2.93Å
306G78.2Confident86.5Confident57 Ų5764 Ų6459%0.58837%0.365SS*.SBendtrans7418.2177.900000113.8G303G303-G306 PolarHBondContact O-N 2.96Å
307K82.1Confident86.3Confident138 Ų13869.9 Ų69.960%0.639%0.39SS*.SBendtrans-118.3145.5178.3-65.2-179.7-178.5177.30111.7V302 G303 D305V302-K307 WeakPolarHBondContact CA-O 3.41Å; G303-K307 PolarHBondContact N-O 3.37Å; D305-K307 VanDerWaalsContact C-N 3.29Å; D305-K307 PolarHBondContact O-N 2.93Å
308P86.1Confident85.8Confident56 Ų5670.6 Ų70.636%0.36440%0.4SS..BIsolated β-bridgetrans-68.8132.3175.627.8-33.4000110.8D300 V302 L310D300-P308 HydrophobicContact CB-CB 4.29Å; D300-P308 WeakPolarHBondContact O-CB 3.27Å; V302-P308 HydrophobicContact CG2-CB 4.33Å; P308-L310 PolarHBondContact O-N 3.34Å
309Q88Confident85.5Confident88 Ų8878.3 Ų78.341%0.41144%0.436SS..  trans-87.184.4177.5-64.1178.610.400110.2D300 P301 G311 Q312D300-Q309 WeakPolarHBondContact CA-O 3.45Å; P301-Q309 WeakPolarHBondContact O-CB 3.41Å; P301-Q309 WeakPolarHBondContact O-CG 3.31Å; P301-Q309 PolarHBondContact O-N 3.42Å; Q309-G311 PolarHBondContact O-N 2.81Å; Q309-Q312 HydrophobicContact CB-CB 3.95Å; Q309-Q312 HydrophobicContact CB-CG 4.02Å; Q309-Q312 WeakPolarHBondContact O-CB 3.44Å; Q309-Q312 PolarHBondContact O-N 3.47Å
310L84.4Confident85.4Confident139 Ų13980 Ų8073%0.72845%0.445SS*.THydrogen-bonded Turntrans-54127.2-174.7-58.2178.6000112.8D300 P308 Q312D300-L310 HydrophobicContact CB-CD2 4.42Å; D300-L310 WeakPolarHBondContact OD1-CA 3.34Å; P308-L310 PolarHBondContact O-N 3.34Å; L310-Q312 VanDerWaalsContact C-N 3.3Å; L310-Q312 PolarHBondContact O-N 3.33Å
311G81.5Confident85.3Confident68 Ų6881.8 Ų81.870%0.70146%0.461SS*.THydrogen-bonded Turntrans82.6-4.318000000115.1D300 Q309D300-G311 PolarHBondContact OD1-N 3.02Å; Q309-G311 PolarHBondContact O-N 2.81Å
312Q85.9Confident85.3Confident112 Ų11283 Ų8352%0.52347%0.466SS..  trans-86.5154.4175.6-69.6-71.2-21.500111.3D300 P301 Q309 L310D300-Q312 PolarHBondContact N-O 2.89Å; P301-Q312 VanDerWaalsContact CD-O 3.27Å; P301-Q312 WeakPolarHBondContact CD-O 3.34Å; P301-Q312 HydrophobicContact CG-CB 4.31Å; Q309-Q312 HydrophobicContact CB-CB 3.95Å; Q309-Q312 HydrophobicContact CB-CG 4.02Å; Q309-Q312 WeakPolarHBondContact O-CB 3.44Å; Q309-Q312 PolarHBondContact O-N 3.47Å; L310-Q312 VanDerWaalsContact C-N 3.3Å; L310-Q312 PolarHBondContact O-N 3.33Å
313K88Confident85.4Confident86 Ų8683.2 Ų83.237%0.37446%0.464SS..EExtended strand (participates in β ladder)trans-124.5134.5176.7-59.7-170.8176.5-168.90110.3V297 I298 L299 E331 A404V297-K313 HydrophobicContact CG1-CB 3.96Å; V297-K313 HydrophobicContact CG1-CD 4.26Å; V297-K313 HydrophobicContact CG1-CG 4.47Å; I298-K313 WeakPolarHBondContact O-CA 3.14Å; L299-K313 HydrophobicContact CD2-CD 4.13Å; L299-K313 HydrophobicContact CD2-CG 3.85Å; K313-E331 IonicContact NZ-OE1 3.25Å; K313-E331 PolarHBondContact NZ-OE1 3.5Å; K313-E331 IonicContact NZ-OE2 2.71Å; K313-E331 PolarHBondContact NZ-OE2 3.17Å; K313-A404 HydrophobicContact CB-CB 4.11Å
314K88.4Confident85.9Confident113 Ų11384.2 Ų84.249%0.49147%0.466SS..EExtended strand (participates in β ladder)trans-121.5118.1175.2-177.1177.3-179.7-176.40110.4I298 P301 V316I298-K314 PolarHBondContact N-O 3.36Å; I298-K314 PolarHBondContact O-N 2.97Å; P301-K314 HydrophobicContact CB-CB 3.77Å; P301-K314 HydrophobicContact CB-CD 4.01Å; P301-K314 HydrophobicContact CG-CB 3.82Å; K314-V316 HydrophobicContact CG-CG2 4.36Å
315V89.8Confident86.5Confident41 Ų4180.2 Ų80.225%0.24844%0.436CS..EExtended strand (participates in β ladder)trans-82125.3173.9-173.90000108.8Y295 V297 V401 A404Y295-V315 HydrophobicContact CD2-CG1 4Å; V297-V315 HydrophobicContact CG2-CG2 4.21Å; V315-V401 HydrophobicContact CG1-CG1 3.72Å; V315-A404 HydrophobicContact CG2-CB 4.31Å
316V89.5Confident87.1Confident17 Ų1776.4 Ų76.410%0.10342%0.417CS..EExtended strand (participates in β ladder)trans-114.8122.5174.5-176.70000107.9L290 Y295 C296 I298 K314 L320 F322L290-V316 HydrophobicContact CD1-CB 4.24Å; L290-V316 HydrophobicContact CD1-CG1 3.81Å; Y295-V316 CarbonylContact C-O 3.52Å; Y295-V316 VanDerWaalsContact CA-O 3.27Å; Y295-V316 WeakPolarHBondContact CA-O 3.43Å; Y295-V316 WeakPolarHBondContact CB-O 3.47Å; C296-V316 PolarHBondContact N-O 2.98Å; C296-V316 PolarHBondContact O-N 3.41Å; I298-V316 HydrophobicContact CD1-CG2 3.63Å; I298-V316 HydrophobicContact CG1-CG2 4.25Å; K314-V316 HydrophobicContact CG-CG2 4.36Å; V316-L320 HydrophobicContact CG1-CD2 3.66Å; V316-F322 HydrophobicContact CG1-CE1 4.01Å
317K87.3Confident87.5Confident122 Ų12276 Ų7653%0.5341%0.413SS..EExtended strand (participates in β ladder)trans-132.2154.8-179.269.8-179.4-174.2-177.20111.2V401K317-V401 HydrophobicContact CB-CG1 4.4Å; K317-V401 HydrophobicContact CB-CG2 4.38Å; K317-V401 HydrophobicContact CD-CB 3.96Å; K317-V401 HydrophobicContact CD-CG1 4.16Å; K317-V401 HydrophobicContact CD-CG2 3.98Å
318G81.2Confident87.9Confident28 Ų2870.6 Ų70.629%0.28939%0.39SS..SBendtrans98173178.500000113.2L290 L320L290-G318 WeakPolarHBondContact CB-O 3.47Å; G318-L320 PolarHBondContact O-N 2.93Å
319E86.5Confident88Confident167 Ų16774.5 Ų74.578%0.7840%0.403SS*.SBendtrans-71.497-177.1-158.8170.8-158.900110.1L290L290-E319 WeakPolarHBondContact O-CA 3.46Å
320L86.8Confident88.2Confident84 Ų8472.4 Ų72.444%0.4440%0.395SS..EExtended strand (participates in β ladder)trans-145.3136.1-172.2-168.875000110.5L290 V316 G318 F322L290-L320 PolarHBondContact N-O 2.85Å; L290-L320 PolarHBondContact O-N 3.4Å; V316-L320 HydrophobicContact CG1-CD2 3.66Å; G318-L320 PolarHBondContact O-N 2.93Å; L320-F322 HydrophobicContact CD2-CD1 3.9Å; L320-F322 HydrophobicContact CG-CD1 4.25Å
321S89.2Confident88.3Confident82 Ų8269.3 Ų69.357%0.57338%0.376SS*.EExtended strand (participates in β ladder)trans-113.5122.1171.8-62.80000109.1T288 T289T288-S321 WeakPolarHBondContact O-CA 3.26Å; T289-S321 WeakPolarHBondContact CG2-OG 3.46Å
322F91.2Very high88.6Confident33 Ų3371.3 Ų71.315%0.14537%0.371CS..EExtended strand (participates in β ladder)trans-146159.8-17967.9-83.9000111.6T288 L290 I298 V316 L320 L324T288-F322 WeakPolarHBondContact CA-O 3.41Å; T288-F322 WeakPolarHBondContact CB-O 3.32Å; T288-F322 HydrophobicContact CG2-CE1 4.21Å; T288-F322 HydrophobicContact CG2-CZ 4.05Å; T288-F322 PolarHBondContact N-O 3.15Å; T288-F322 PolarHBondContact O-N 3.4Å; L290-F322 HydrophobicContact CD1-CE1 3.91Å; L290-F322 HydrophobicContact CG-CE1 4.22Å; I298-F322 HydrophobicContact CD1-CD2 4.49Å; I298-F322 HydrophobicContact CD1-CE2 3.59Å; I298-F322 HydrophobicContact CD1-CZ 3.92Å; I298-F322 HydrophobicContact CG1-CE2 4.4Å; I298-F322 HydrophobicContact CG1-CZ 4.49Å; V316-F322 HydrophobicContact CG1-CE1 4.01Å; L320-F322 HydrophobicContact CD2-CD1 3.9Å; L320-F322 HydrophobicContact CG-CD1 4.25Å; F322-L324 HydrophobicContact CE2-CD2 3.95Å
323F92Very high88.8Confident35 Ų3567.3 Ų67.315%0.15436%0.36CS..PPolyproline II helixtrans-99.8137172.2-62.1-80.5000109.4D237 A240 L264 T266 V285 V287 Q325D237-F323 VanDerWaalsContact O-CZ 3.31Å; D237-F323 WeakPolarHBondContact O-CZ 3.35Å; A240-F323 HydrophobicContact CB-CD1 3.65Å; A240-F323 HydrophobicContact CB-CD2 4.24Å; A240-F323 HydrophobicContact CB-CE1 3.7Å; A240-F323 HydrophobicContact CB-CE2 4.3Å; A240-F323 HydrophobicContact CB-CG 3.92Å; A240-F323 HydrophobicContact CB-CZ 4.03Å; L264-F323 HydrophobicContact CD1-CB 3.62Å; L264-F323 HydrophobicContact CD1-CG 4.49Å; T266-F323 HydrophobicContact CG2-CD2 4.16Å; T266-F323 HydrophobicContact CG2-CE2 4.25Å; V285-F323 HydrophobicContact CG1-CD1 4.32Å; V287-F323 HydrophobicContact CB-CD1 4.15Å; V287-F323 HydrophobicContact CB-CE1 3.67Å; V287-F323 HydrophobicContact CB-CZ 4.01Å; V287-F323 HydrophobicContact CG2-CE1 4.37Å; V287-F323 HydrophobicContact CG2-CZ 4.4Å; F323-Q325 PolarHBondContact O-N 3.31Å
324L92Very high89Confident37 Ų3766.9 Ų66.919%0.19436%0.361CS..PPolyproline II helixtrans-66.4123171.4-69.1168.7000109.1L264 I298 F322 E328 L330L264-L324 WeakPolarHBondContact CD1-O 3.46Å; I298-L324 HydrophobicContact CG1-CD2 4.43Å; F322-L324 HydrophobicContact CE2-CD2 3.95Å; L324-E328 HydrophobicContact CB-CB 4.38Å; L324-E328 HydrophobicContact CD2-CB 4.18Å; L324-L330 HydrophobicContact CD1-CD1 4.28Å; L324-L330 HydrophobicContact CD1-CG 3.99Å; L324-L330 HydrophobicContact CD2-CD2 3.83Å; L324-L330 HydrophobicContact CD2-CG 4.07Å
325Q91.3Very high88.9Confident77 Ų7763.4 Ų63.436%0.3635%0.347SS..PPolyproline II helixtrans-69.6159.1177.9-61.2-60-46.800110.8V302 F323 G327 E328V302-Q325 HydrophobicContact CB-CB 4.05Å; V302-Q325 HydrophobicContact CB-CG 4.26Å; V302-Q325 HydrophobicContact CG2-CB 3.66Å; V302-Q325 HydrophobicContact CG2-CG 4.42Å; F323-Q325 PolarHBondContact O-N 3.31Å; Q325-G327 PolarHBondContact O-N 3.32Å; Q325-E328 HydrophobicContact CB-CG 3.99Å; Q325-E328 PolarHBondContact N-OE2 3.15Å; Q325-E328 WeakPolarHBondContact O-CB 3.4Å; Q325-E328 PolarHBondContact O-N 3.18Å
326P89.7Confident88.9Confident24 Ų2465.7 Ų65.716%0.15636%0.364CS..THydrogen-bonded Turntrans-57.4123.3175.3-2536.9000111.1E262 L264E262-P326 HydrophobicContact CB-CB 3.75Å; E262-P326 HydrophobicContact CB-CG 4.07Å; L264-P326 HydrophobicContact CD2-CG 4.38Å; L264-P326 HydrophobicContact CG-CG 4.43Å
327G85.7Confident88.9Confident50 Ų5065.7 Ų65.752%0.51536%0.364SS..THydrogen-bonded Turntrans93.7-7.6-174.900000115.1Q325Q325-G327 PolarHBondContact O-N 3.32Å
328E91.7Very high88.9Confident24 Ų2463.1 Ų63.111%0.11235%0.352CS..  trans-87135173.2-66.3-174.3155.100111.4I298 P301 V302 L324 Q325I298-E328 HydrophobicContact CG2-CB 3.79Å; I298-E328 HydrophobicContact CG2-CG 3.82Å; P301-E328 WeakPolarHBondContact CA-OE1 3.4Å; V302-E328 HydrophobicContact CG2-CG 3.99Å; V302-E328 PolarHBondContact N-OE1 3.27Å; L324-E328 HydrophobicContact CB-CB 4.38Å; L324-E328 HydrophobicContact CD2-CB 4.18Å; Q325-E328 HydrophobicContact CB-CG 3.99Å; Q325-E328 PolarHBondContact N-OE2 3.15Å; Q325-E328 WeakPolarHBondContact O-CB 3.4Å; Q325-E328 PolarHBondContact O-N 3.18Å
329E88.9Confident89.2Confident137 Ų13764.9 Ų64.964%0.6436%0.356SS*.EExtended strand (participates in β ladder)trans-129.2152173.6-64.8-172.8173.500110.5I298 L299I298-E329 WeakPolarHBondContact CA-O 3.45Å; L299-E329 PolarHBondContact N-O 3.39Å; L299-E329 PolarHBondContact O-N 3.06Å
330L90.8Very high89.3Confident44 Ų4457.1 Ų57.123%0.2332%0.32CS..EExtended strand (participates in β ladder)trans-89.6123.4174-63.8178000109.4T288 C296 V297 I298 L324 N332T288-L330 HydrophobicContact CG2-CD1 4.29Å; C296-L330 HydrophobicContact CB-CD2 3.94Å; V297-L330 WeakPolarHBondContact O-CA 3.39Å; I298-L330 HydrophobicContact CG1-CD2 4.03Å; L324-L330 HydrophobicContact CD1-CD1 4.28Å; L324-L330 HydrophobicContact CD1-CG 3.99Å; L324-L330 HydrophobicContact CD2-CD2 3.83Å; L324-L330 HydrophobicContact CD2-CG 4.07Å; L330-N332 PolarHBondContact O-N 2.68Å
331E87.4Confident89.2Confident74 Ų7455.7 Ų55.735%0.34632%0.318SS..EExtended strand (participates in β ladder)trans-58.9-53.4-177.1-176.1170.6-161.200112.2V297 L299 K313V297-E331 HydrophobicContact CB-CB 4.26Å; V297-E331 PolarHBondContact O-N 3.04Å; L299-E331 HydrophobicContact CD1-CB 4.08Å; L299-E331 HydrophobicContact CD1-CG 4.38Å; L299-E331 HydrophobicContact CD2-CB 3.91Å; L299-E331 HydrophobicContact CD2-CG 4.24Å; L299-E331 HydrophobicContact CG-CB 3.89Å; K313-E331 IonicContact NZ-OE1 3.25Å; K313-E331 PolarHBondContact NZ-OE1 3.5Å; K313-E331 IonicContact NZ-OE2 2.71Å; K313-E331 PolarHBondContact NZ-OE2 3.17Å
332N87.8Confident89Confident110 Ų11059.3 Ų59.359%0.58833%0.325SS*.EExtended strand (participates in β ladder)trans-127.932.5-178.9-67.5-42.2000111.4L330 Q335L330-N332 PolarHBondContact O-N 2.68Å; N332-Q335 HydrophobicContact CB-CG 4.19Å
333G90.1Very high88.7Confident28 Ų2863.9 Ų63.929%0.28935%0.347SS..EExtended strand (participates in β ladder)trans60.4-148.5-175.700000113.4C296C296-G333 VanDerWaalsContact CB-O 3.29Å; C296-G333 WeakPolarHBondContact CB-O 3.4Å
334I90.8Very high88.4Confident77 Ų7763.2 Ų63.240%0.39535%0.345SS..EExtended strand (participates in β ladder)trans-86.4118.3174.9-58.9171.5000108.8T288 L290 Q294T288-I334 HydrophobicContact CG2-CD1 4.12Å; T288-I334 HydrophobicContact CG2-CG1 4.26Å; L290-I334 HydrophobicContact CD2-CB 4.38Å; L290-I334 HydrophobicContact CD2-CD1 4.49Å; L290-I334 HydrophobicContact CD2-CG1 4.05Å; L290-I334 HydrophobicContact CD2-CG2 3.68Å; Q294-I334 HydrophobicContact CB-CG2 3.81Å; Q294-I334 HydrophobicContact CG-CG2 3.9Å
335Q88.1Confident88.3Confident41 Ų4161.5 Ų61.519%0.19234%0.335CS..EExtended strand (participates in β ladder)trans-104.1156.8-178.8-63.6179.469.800110.9Q294 Y295 N332Q294-Q335 CarbonylContact C-O 3.55Å; Q294-Q335 WeakPolarHBondContact CA-O 3.43Å; Q294-Q335 WeakPolarHBondContact CB-O 3.31Å; Y295-Q335 HydrophobicContact CD1-CB 4.08Å; Y295-Q335 HydrophobicContact CE1-CB 3.69Å; Y295-Q335 HydrophobicContact CE2-CB 4.36Å; Y295-Q335 PolarHBondContact N-O 2.71Å; Y295-Q335 WeakPolarHBondContact O-CA 3.42Å; Y295-Q335 PolarHBondContact O-N 3.12Å; Y295-Q335 VanDerWaalsContact O-O 3.08Å; Y295-Q335 PolarHBondContact OH-OE1 3.48Å; N332-Q335 HydrophobicContact CB-CG 4.19Å
336S88.9Confident88.1Confident88 Ų8857.8 Ų57.862%0.61532%0.318SS*.EExtended strand (participates in β ladder)trans-92.2138174.4-59.40000110.3R293 Y295R293-S336 WeakPolarHBondContact O-CA 3.42Å; Y295-S336 WeakPolarHBondContact CE1-O 3.46Å
337V88.8Confident88.1Confident17 Ų1757.2 Ų57.210%0.10331%0.314CS..  trans-58.5142.4174.8177.10000109.7R293 Y295 V339 E399 Y400 V401R293-V337 VanDerWaalsContact C-CG2 3.42Å; R293-V337 WeakPolarHBondContact O-CG2 3.5Å; R293-V337 PolarHBondContact O-N 2.64Å; Y295-V337 HydrophobicContact CD1-CG2 4.09Å; V337-V339 PolarHBondContact O-N 3.25Å; V337-V339 VanDerWaalsContact O-N 3.12Å; V337-E399 HydrophobicContact CG1-CB 3.97Å; V337-Y400 WeakPolarHBondContact CG1-O 3.36Å; V337-V401 HydrophobicContact CB-CG2 4.2Å; V337-V401 HydrophobicContact CG1-CG2 3.74Å; V337-V401 HydrophobicContact CG2-CG2 3.68Å
338Y88.1Confident88.3Confident69 Ų6954.9 Ų54.927%0.27129%0.29SS..EExtended strand (participates in β ladder)trans-76.4102.9177-67.4-87.6000109.8L346 E399 Y400 P402 V408Y338-L346 HydrophobicContact CD1-CD1 4.18Å; Y338-L346 HydrophobicContact CD1-CD2 4.04Å; Y338-L346 HydrophobicContact CD2-CD1 4.46Å; Y338-L346 HydrophobicContact CE1-CD2 4.46Å; Y338-L346 HydrophobicContact CG-CD1 3.89Å; Y338-E399 CarbonylContact O-C 3.52Å; Y338-E399 WeakPolarHBondContact O-CA 3.43Å; Y338-Y400 WeakPolarHBondContact CB-O 3.29Å; Y338-Y400 PolarHBondContact N-O 3.34Å; Y338-Y400 PolarHBondContact O-N 3.44Å; Y338-P402 HydrophobicContact CE2-CG 4.18Å; Y338-V408 HydrophobicContact CE1-CG1 4.44Å; Y338-V408 HydrophobicContact CE2-CG2 3.99Å
339V87.9Confident88.1Confident64 Ų6457.5 Ų57.539%0.38830%0.299SS..EExtended strand (participates in β ladder)trans-88.5114.8170.4-172.30000107.8V337 E399V337-V339 PolarHBondContact O-N 3.25Å; V337-V339 VanDerWaalsContact O-N 3.12Å; V339-E399 HydrophobicContact CG2-CG 4.23Å
340L87.9Confident88Confident4 Ų451 Ų512%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-102.7132.7176.8-58.3172.4000109.3E344 L346 L394 P397 L398L340-E344 HydrophobicContact CB-CB 4.39Å; L340-E344 HydrophobicContact CD2-CB 4.05Å; L340-L346 HydrophobicContact CD1-CB 4.41Å; L340-L346 HydrophobicContact CD1-CD1 3.82Å; L340-L346 HydrophobicContact CD1-CG 3.72Å; L340-L346 HydrophobicContact CD2-CD1 4.1Å; L340-L346 HydrophobicContact CD2-CD2 3.97Å; L340-L346 HydrophobicContact CD2-CG 3.64Å; L340-L346 HydrophobicContact CG-CD1 4.26Å; L340-L346 HydrophobicContact CG-CG 4.18Å; L340-L394 HydrophobicContact CD1-CD2 3.63Å; L340-P397 VanDerWaalsContact O-CA 3.24Å; L340-P397 WeakPolarHBondContact O-CA 3.37Å; L340-L398 HydrophobicContact CD1-CD1 4.23Å; L340-L398 HydrophobicContact CD1-CG 4.43Å; L340-L398 PolarHBondContact N-O 3.08Å; L340-L398 PolarHBondContact O-N 3.36Å
341S85.6Confident87.7Confident55 Ų5552.6 Ų52.639%0.38528%0.28SS..  trans-84.9172.716661.10000111E343 E344 G396S341-E343 PolarHBondContact O-N 2.81Å; S341-E343 VanDerWaalsContact O-N 3.12Å; S341-E344 PolarHBondContact O-N 3.12Å; S341-E344 WeakPolarHBondContact OG-CG 3.22Å; S341-G396 VanDerWaalsContact O-CA 3.27Å; S341-G396 WeakPolarHBondContact O-CA 3.44Å
342E83.8Confident87.5Confident157 Ų15755.3 Ų55.373%0.73429%0.293SS*.THydrogen-bonded Turntrans-53.5-29.6174.4-69.8171.4-167.600113.2P397E342-P397 HydrophobicContact CG-CB 4.23Å; E342-P397 HydrophobicContact CG-CG 3.87Å
343E85.2Confident87.3Confident130 Ų13053.3 Ų53.361%0.60729%0.291SS*.THydrogen-bonded Turntrans-92.71.2-179.7-60.3-178.5170.700113.9S341 A414 M442S341-E343 PolarHBondContact O-N 2.81Å; S341-E343 VanDerWaalsContact O-N 3.12Å; E343-A414 HydrophobicContact CB-CB 4.18Å; E343-A414 PolarHBondContact O-N 3.33Å; E343-M442 VanDerWaalsContact O-CE 3.23Å; E343-M442 WeakPolarHBondContact O-CE 3.42Å
344E87.1Confident86.9Confident21 Ų2153.7 Ų53.710%0.09829%0.285CS..EExtended strand (participates in β ladder)trans-116.4143.3-178.4-67.1-170141.900111.4L340 S341 G396 K411 R413L340-E344 HydrophobicContact CB-CB 4.39Å; L340-E344 HydrophobicContact CD2-CB 4.05Å; S341-E344 PolarHBondContact O-N 3.12Å; S341-E344 WeakPolarHBondContact OG-CG 3.22Å; E344-G396 PolarHBondContact O-N 3.5Å; E344-K411 VanDerWaalsContact CD-NZ 3.26Å; E344-K411 WeakPolarHBondContact OE1-CE 2.99Å; E344-K411 IonicContact OE1-NZ 2.84Å; E344-K411 PolarHBondContact OE1-NZ 2.87Å; E344-K411 WeakPolarHBondContact OE2-CE 3.46Å; E344-K411 IonicContact OE2-NZ 2.61Å; E344-K411 PolarHBondContact OE2-NZ 2.93Å; E344-R413 HydrophobicContact CG-CG 4.23Å; E344-R413 IonicContact OE1-CZ 3.58Å; E344-R413 VanDerWaalsContact OE1-CZ 3.27Å; E344-R413 IonicContact OE1-NE 3.96Å; E344-R413 PolarHBondContact OE1-NE 2.92Å; E344-R413 IonicContact OE1-NH2 2.69Å; E344-R413 PolarHBondContact OE1-NH2 2.89Å
345G88Confident86.3Confident0 Ų056.2 Ų56.20%030%0.295CS..EExtended strand (participates in β ladder)trans-137.1158.7174.500000112L394 K411 Q412G345-L394 CarbonylContact C-O 3.58Å; G345-L394 WeakPolarHBondContact CA-O 3.34Å; G345-K411 CarbonylContact O-C 3.56Å; G345-Q412 PolarHBondContact N-O 2.88Å; G345-Q412 PolarHBondContact O-N 3.07Å
346L88.5Confident85.4Confident0 Ų054.8 Ų54.80%029%0.289CS..EExtended strand (participates in β ladder)trans-114.8127.7171.9-65.6174000109.5Y338 L340 L348 M393 L394 Y400 V408 K411Y338-L346 HydrophobicContact CD1-CD1 4.18Å; Y338-L346 HydrophobicContact CD1-CD2 4.04Å; Y338-L346 HydrophobicContact CD2-CD1 4.46Å; Y338-L346 HydrophobicContact CE1-CD2 4.46Å; Y338-L346 HydrophobicContact CG-CD1 3.89Å; L340-L346 HydrophobicContact CD1-CB 4.41Å; L340-L346 HydrophobicContact CD1-CD1 3.82Å; L340-L346 HydrophobicContact CD1-CG 3.72Å; L340-L346 HydrophobicContact CD2-CD1 4.1Å; L340-L346 HydrophobicContact CD2-CD2 3.97Å; L340-L346 HydrophobicContact CD2-CG 3.64Å; L340-L346 HydrophobicContact CG-CD1 4.26Å; L340-L346 HydrophobicContact CG-CG 4.18Å; L346-L348 HydrophobicContact CB-CD2 4.07Å; L346-L348 HydrophobicContact CB-CG 4.37Å; L346-M393 CarbonylContact O-C 3.52Å; L346-M393 VanDerWaalsContact O-CA 3.31Å; L346-M393 WeakPolarHBondContact O-CA 3.47Å; L346-L394 PolarHBondContact N-O 3.3Å; L346-L394 PolarHBondContact O-N 2.91Å; L346-Y400 HydrophobicContact CD1-CD1 3.78Å; L346-Y400 HydrophobicContact CD1-CG 4.39Å; L346-V408 HydrophobicContact CD2-CG1 3.92Å; L346-K411 HydrophobicContact CD2-CB 3.91Å; L346-K411 HydrophobicContact CD2-CD 4.49Å; L346-K411 HydrophobicContact CD2-CG 3.96Å
347V88.4Confident84.2Confident12 Ų1256.4 Ų56.47%0.07330%0.295CS..EExtended strand (participates in β ladder)trans-86.7118.4165.9-176.70000107.8W392 M393 L409 L410 Q445V347-W392 WeakPolarHBondContact CA-O 3.46Å; V347-M393 HydrophobicContact CG2-CE 3.56Å; V347-L409 HydrophobicContact CG1-CB 4.45Å; V347-L409 HydrophobicContact CG1-CD1 4.37Å; V347-L409 PolarHBondContact O-N 2.94Å; V347-L410 HydrophobicContact CB-CB 4.37Å; V347-L410 PolarHBondContact N-O 3.41Å; V347-L410 PolarHBondContact O-N 3.33Å; V347-Q445 HydrophobicContact CG1-CB 4.38Å
348L89.6Confident82.7Confident0 Ų060.7 Ų60.70%031%0.314CS..EExtended strand (participates in β ladder)trans-108.6151.6-176.8-58.5177.4000110.2L346 R391 W392 L394 Y400 V406 E407 V408L346-L348 HydrophobicContact CB-CD2 4.07Å; L346-L348 HydrophobicContact CB-CG 4.37Å; L348-R391 VanDerWaalsContact O-CA 3.28Å; L348-R391 WeakPolarHBondContact O-CA 3.47Å; L348-W392 HydrophobicContact CB-CD2 4.04Å; L348-W392 HydrophobicContact CB-CE3 4.4Å; L348-W392 HydrophobicContact CB-CH2 4.11Å; L348-W392 HydrophobicContact CB-CZ2 3.72Å; L348-W392 HydrophobicContact CB-CZ3 4.44Å; L348-W392 HydrophobicContact CD1-CZ2 3.88Å; L348-W392 HydrophobicContact CG-CZ2 4.46Å; L348-W392 PolarHBondContact N-O 2.61Å; L348-W392 PolarHBondContact O-N 2.92Å; L348-W392 VanDerWaalsContact O-N 3.16Å; L348-L394 HydrophobicContact CD1-CB 4.11Å; L348-L394 HydrophobicContact CD1-CD1 4.29Å; L348-Y400 HydrophobicContact CD1-CE1 3.78Å; L348-Y400 HydrophobicContact CD1-CE2 4.36Å; L348-Y400 WeakPolarHBondContact CD1-OH 3.36Å; L348-Y400 HydrophobicContact CD2-CD1 4.49Å; L348-Y400 HydrophobicContact CD2-CE1 3.73Å; L348-Y400 HydrophobicContact CG-CE1 4.43Å; L348-V406 HydrophobicContact CB-CG1 3.93Å; L348-V406 HydrophobicContact CD1-CG1 4.33Å; L348-V406 HydrophobicContact CD2-CG1 4.06Å; L348-V406 HydrophobicContact CG-CG1 4.33Å; L348-E407 WeakPolarHBondContact CA-O 3.38Å; L348-V408 HydrophobicContact CD2-CB 4.25Å; L348-V408 HydrophobicContact CD2-CG1 4.35Å; L348-V408 HydrophobicContact CD2-CG2 3.74Å
349R87.9Confident80.9Confident80 Ų8061.4 Ų61.430%0.30232%0.317SS..EExtended strand (participates in β ladder)trans-129.1131.5172.4178.3173.870-177.6-0.1110D390 E407 L409R349-D390 WeakPolarHBondContact CA-O 3.43Å; R349-E407 IonicContact CZ-OE2 3.37Å; R349-E407 PolarHBondContact N-O 3.39Å; R349-E407 IonicContact NE-OE2 3.41Å; R349-E407 PolarHBondContact NE-OE2 2.77Å; R349-E407 VanDerWaalsContact NH2-CD 3.29Å; R349-E407 IonicContact NH2-OE1 3.19Å; R349-E407 PolarHBondContact NH2-OE1 3.07Å; R349-E407 IonicContact NH2-OE2 2.64Å; R349-E407 PolarHBondContact NH2-OE2 2.88Å; R349-E407 PolarHBondContact O-N 2.97Å; R349-L409 HydrophobicContact CB-CD1 3.8Å; R349-L409 HydrophobicContact CB-CD2 4.26Å; R349-L409 HydrophobicContact CB-CG 3.84Å
350A87.3Confident78.8Confident1 Ų167.5 Ų67.51%0.00834%0.341CS..EExtended strand (participates in β ladder)trans-77.1125.2171.200000110.1F354 R386 R387 G389 D390 W392A350-F354 HydrophobicContact CB-CE1 4.09Å; A350-R386 HydrophobicContact CB-CB 4.02Å; A350-R387 WeakPolarHBondContact CB-O 3.22Å; A350-G389 PolarHBondContact O-N 3.47Å; A350-D390 PolarHBondContact N-O 2.84Å; A350-D390 VanDerWaalsContact N-O 3.1Å; A350-W392 HydrophobicContact CB-CH2 4.11Å; A350-W392 HydrophobicContact CB-CZ3 3.8Å
351V85.6Confident76.6Confident77 Ų7774.8 Ų74.847%0.46738%0.375SS..SBendtrans-85.6-39.4172.6-177.90000109.9S405 E407V351-S405 PolarHBondContact N-O 2.96Å; V351-E407 HydrophobicContact CG2-CB 3.95Å
352E82.5Confident74.2Confident131 Ų13177.1 Ų77.161%0.61240%0.398SS*.SBendtrans-124.8163.7178.8-62.9-173.9172.200110.9F354E352-F354 PolarHBondContact O-N 2.96Å
353A83.3Confident71.8Confident68 Ų6874 Ų7456%0.56240%0.399SS*.  trans-74.1120.2174.700000109.8R386 P388A353-R386 WeakPolarHBondContact CA-O 3.47Å; A353-P388 HydrophobicContact CB-CG 4.48Å
354F82.8Confident69.6Low35 Ų3576.4 Ų76.415%0.15441%0.41CS..EExtended strand (participates in β ladder)trans-144.4161.5175.877.7-76.7000111.3A350 E352 D356 R386 W392 S405 V406A350-F354 HydrophobicContact CB-CE1 4.09Å; E352-F354 PolarHBondContact O-N 2.96Å; F354-D356 HydrophobicContact CE2-CB 3.96Å; F354-D356 HydrophobicContact CZ-CB 4.34Å; F354-R386 HydrophobicContact CD1-CB 4.38Å; F354-R386 HydrophobicContact CE1-CB 4Å; F354-R386 HydrophobicContact CE1-CG 4.25Å; F354-R386 HydrophobicContact CZ-CB 4.47Å; F354-R386 HydrophobicContact CZ-CG 4.23Å; F354-R386 PolarHBondContact N-O 2.8Å; F354-R386 PolarHBondContact O-N 3.23Å; F354-R386 VanDerWaalsContact O-N 3.08Å; F354-W392 HydrophobicContact CE1-CH2 4.08Å; F354-W392 AromaticContact CZ-CH2 4Å; F354-W392 HydrophobicContact CZ-CH2 4Å; F354-W392 HydrophobicContact CZ-CZ2 4.2Å; F354-S405 WeakPolarHBondContact CD1-OG 3.3Å; F354-S405 VanDerWaalsContact CG-OG 3.31Å; F354-S405 WeakPolarHBondContact CG-OG 3.39Å; F354-V406 HydrophobicContact CD1-CG2 4.27Å; F354-V406 HydrophobicContact CE1-CG2 3.25Å; F354-V406 HydrophobicContact CE2-CG2 4.02Å; F354-V406 HydrophobicContact CZ-CG2 3.11Å
355H77.4Confident67Low131 Ų13183.3 Ų83.361%0.60645%0.448SS*.EExtended strand (participates in β ladder)trans-90.7115.3175-69.476.9000108.6T357H355-T357 PolarHBondContact O-N 3.44Å
356D69.3Low64.8Low11 Ų1192.2 Ų92.26%0.05949%0.489CS..EExtended strand (participates in β ladder)trans-81.5107176.5-172.7-3.5000109.1F354 E358 G383 I384 R386F354-D356 HydrophobicContact CE2-CB 3.96Å; F354-D356 HydrophobicContact CZ-CB 4.34Å; D356-E358 PolarHBondContact OD1-N 3.41Å; D356-G383 CarbonylContact O-C 3.57Å; D356-G383 WeakPolarHBondContact O-CA 3.34Å; D356-I384 HydrophobicContact CB-CB 4.49Å; D356-I384 WeakPolarHBondContact CB-O 3.31Å; D356-I384 PolarHBondContact N-O 2.87Å; D356-I384 PolarHBondContact O-N 3.43Å; D356-R386 HydrophobicContact CB-CG 4.03Å; D356-R386 IonicContact OD2-NE 3.42Å; D356-R386 IonicContact OD2-NH2 2.97Å
357T64.1Low62.4Low122 Ų122100.9 Ų100.975%0.74853%0.53SS*.  trans-95.2-1.9179.6540000113.3H355H355-T357 PolarHBondContact O-N 3.44Å
358E56.8Low59.8Low106 Ų106107.6 Ų107.650%0.49557%0.565SS.*  trans-94.93-174.1-64.5-17316800113.1D356 Y400D356-E358 PolarHBondContact OD1-N 3.41Å; E358-Y400 WeakPolarHBondContact OE2-CE2 3.47Å
359Y50.3Low57.4Low85 Ų85116.8 Ų116.833%0.33361%0.608SS.*  trans-89.3103177.5-119.6-94.9000111.9I384 W392 M393Y359-I384 HydrophobicContact CD1-CD1 3.69Å; Y359-I384 HydrophobicContact CD2-CD1 4.31Å; Y359-I384 HydrophobicContact CE1-CD1 4.31Å; Y359-I384 HydrophobicContact CG-CD1 3.68Å; Y359-W392 AromaticContact CE2-CD1 3.66Å; Y359-W392 AromaticContact CE2-NE1 3.99Å; Y359-M393 PolarHBondContact OH-O 2.64Å; Y359-M393 VanDerWaalsContact OH-O 3.11Å
360E42.4Very low55.1Low191 Ų191122 Ų12289%0.89364%0.636SS**  trans-95.2116.5155.7-75.8-173.6158.400107.8A362E360-A362 PolarHBondContact O-N 2.72Å
361E41.9Very low52.9Low158 Ų158129.6 Ų129.674%0.73868%0.676SS**  trans-69.7107.5173.9-82.1178.3156.200110A363E361-A363 VanDerWaalsContact C-N 3.33Å; E361-A363 PolarHBondContact O-N 3.08Å
362A35.3Very low50.9Low104 Ų104133.4 Ų133.486%0.8669%0.69SS**  trans-79.486.2154.300000108E360E360-A362 PolarHBondContact O-N 2.72Å
363A34.6Very low48.8Very low92 Ų92136.2 Ų136.276%0.7670%0.703SS**  trans-93.484.1166.300000108.4E361E361-A363 VanDerWaalsContact C-N 3.33Å; E361-A363 PolarHBondContact O-N 3.08Å
364E37.8Very low46.7Very low179 Ų179141.8 Ų141.884%0.83672%0.718SS**  trans-111.8106.8156.4-74.9-178.5176.100105.9
365D34.1Very low44.6Very low167 Ų167143.7 Ų143.789%0.89374%0.735SS**  trans-171.7141.8136.1-85-25.5000108.8
366E41.8Very low42.8Very low187 Ų187141.6 Ų141.687%0.87474%0.741SS**  trans-74.9166.5-152.6-63.6169149.400116
367E36.7Very low41.4Very low182 Ų182150.9 Ų150.985%0.8578%0.78SS**  trans99.176.3171.5-57.2-174.5-178.500116.2
368D34.8Very low40Very low153 Ų153156 Ų15682%0.81879%0.786SS**  trans176.684133-87.2-23.6000110.8E370D368-E370 PolarHBondContact O-N 3.02Å; D368-E370 VanDerWaalsContact O-N 3.15Å
369E39.7Very low39.2Very low192 Ų192155.3 Ų155.390%0.89779%0.793SS**THydrogen-bonded Turntrans-81.749.8-177.6-74-164.6142.800115
370E39.1Very low38.6Very low189 Ų189162.6 Ų162.688%0.88382%0.82SS**THydrogen-bonded Turntrans-137.34171.6-77.9-164.8163.200117.3D368D368-E370 PolarHBondContact O-N 3.02Å; D368-E370 VanDerWaalsContact O-N 3.15Å
371L40.9Very low38.5Very low162 Ų162165.3 Ų165.385%0.84882%0.822SS**SBendtrans-12113.9177.7-80.8158.5000115Q373L371-Q373 PolarHBondContact O-N 3.23Å
372M42.7Very low38.5Very low157 Ų157162.6 Ų162.677%0.77382%0.82SS**THydrogen-bonded Turntrans-97.335.9-163-109.6-162.8-159.700116.9
373Q39.8Very low39.6Very low189 Ų189158.8 Ų158.888%0.88379%0.792SS**THydrogen-bonded Turntrans-125.2-10.4174.7-72.5-173.73.500117.1L371L371-Q373 PolarHBondContact O-N 3.23Å
374E37.5Very low41.5Very low186 Ų186157.1 Ų157.187%0.86977%0.769SS**SBendtrans-106.6-17.5175.6-80.6-169144.300115.1
375S40Very low43.6Very low75 Ų75153.1 Ų153.152%0.52475%0.753SS.*SBendtrans-84.5-23.5-178.145.60000114.1K377 R378S375-K377 VanDerWaalsContact C-N 3.28Å; S375-K377 PolarHBondContact O-N 3.44Å; S375-R378 PolarHBondContact O-N 3.47Å
376A39.1Very low46Very low87 Ų87146.6 Ų146.672%0.71972%0.716SS**THydrogen-bonded Turntrans-71.9-9.8-173.200000115.5
377K39.2Very low48.1Very low205 Ų205145.9 Ų145.989%0.89171%0.705SS**THydrogen-bonded Turntrans-103.9-4.1177.7-77.8-179.4179.9171.70114.9S375S375-K377 VanDerWaalsContact C-N 3.28Å; S375-K377 PolarHBondContact O-N 3.44Å
378R36.5Very low50.4Low229 Ų229141.1 Ų141.186%0.86469%0.69SS**THydrogen-bonded Turntrans-101-20.5179.7-88.6-178.4173.2172.1-0.1114.9S375 R380S375-R378 PolarHBondContact O-N 3.47Å; R378-R380 PolarHBondContact O-N 3.03Å
379S38.2Very low52.7Low93 Ų93136 Ų13665%0.6567%0.673SS**  trans-91.462.4-177.9-161.80000113.1
380R38.7Very low54.9Low238 Ų238129.9 Ų129.990%0.89865%0.647SS**SBendtrans-123.87.7171.9-109.8-175.2-175.9161.23.6114.6R378R378-R380 PolarHBondContact O-N 3.03Å
381R39.5Very low57.1Low248 Ų248126.5 Ų126.594%0.93663%0.626SS**SBendtrans-172.843.1-178-113.7170.5-163.5-174.64.1114.1
382S41.7Very low59.4Low100 Ų100119 Ų11970%0.69959%0.586SS**  trans-116.685.6170.5-1770000108.7
383G59Low61.5Low25 Ų25111.9 Ų111.926%0.25855%0.551SS.*  trans-56.2142.4168.100000110.1D356 L385D356-G383 CarbonylContact O-C 3.57Å; D356-G383 WeakPolarHBondContact O-CA 3.34Å; G383-L385 PolarHBondContact O-N 3.19Å
384I75.6Confident63.7Low56 Ų56103.5 Ų103.529%0.28751%0.513SS..EExtended strand (participates in β ladder)trans-74.6123.3-177.9-59.7171.6000107.8D356 Y359 R386D356-I384 HydrophobicContact CB-CB 4.49Å; D356-I384 WeakPolarHBondContact CB-O 3.31Å; D356-I384 PolarHBondContact N-O 2.87Å; D356-I384 PolarHBondContact O-N 3.43Å; Y359-I384 HydrophobicContact CD1-CD1 3.69Å; Y359-I384 HydrophobicContact CD2-CD1 4.31Å; Y359-I384 HydrophobicContact CE1-CD1 4.31Å; Y359-I384 HydrophobicContact CG-CD1 3.68Å; I384-R386 PolarHBondContact O-N 3.18Å
385L81.3Confident66Low96 Ų96101.1 Ų101.150%0.50350%0.496SS..EExtended strand (participates in β ladder)trans-75.3106174-179.967.3000109.1G383G383-L385 PolarHBondContact O-N 3.19Å
386R83.6Confident68.1Low30 Ų3098.3 Ų98.311%0.11348%0.479CS..EExtended strand (participates in β ladder)trans-87.2130.6176-58.4-65.1-174.9-176.2-0.8109.6A350 A353 F354 D356 I384 W392A350-R386 HydrophobicContact CB-CB 4.02Å; A353-R386 WeakPolarHBondContact CA-O 3.47Å; F354-R386 HydrophobicContact CD1-CB 4.38Å; F354-R386 HydrophobicContact CE1-CB 4Å; F354-R386 HydrophobicContact CE1-CG 4.25Å; F354-R386 HydrophobicContact CZ-CB 4.47Å; F354-R386 HydrophobicContact CZ-CG 4.23Å; F354-R386 PolarHBondContact N-O 2.8Å; F354-R386 PolarHBondContact O-N 3.23Å; F354-R386 VanDerWaalsContact O-N 3.08Å; D356-R386 HydrophobicContact CB-CG 4.03Å; D356-R386 IonicContact OD2-NE 3.42Å; D356-R386 IonicContact OD2-NH2 2.97Å; I384-R386 PolarHBondContact O-N 3.18Å; R386-W392 HydrophobicContact CB-CZ3 4.37Å; R386-W392 HydrophobicContact CG-CE3 4.48Å; R386-W392 HydrophobicContact CG-CH2 4.1Å; R386-W392 HydrophobicContact CG-CZ2 4.47Å; R386-W392 HydrophobicContact CG-CZ3 4.09Å
387R85.8Confident70.4Confident171 Ų17198.5 Ų98.565%0.64547%0.473SS*.PPolyproline II helixtrans-92.5154.4174.4-61.4-178.5-179.9-170.50.8110.4A350 G389 D390A350-R387 WeakPolarHBondContact CB-O 3.22Å; R387-G389 PolarHBondContact O-N 3.02Å; R387-D390 WeakPolarHBondContact CB-OD2 3.46Å; R387-D390 PolarHBondContact N-OD2 3.23Å; R387-D390 VanDerWaalsContact O-CB 3.3Å; R387-D390 WeakPolarHBondContact O-CB 3.15Å; R387-D390 PolarHBondContact O-N 3.34Å
388P85.9Confident72.6Confident82 Ų8291.8 Ų91.853%0.53245%0.446SS..THydrogen-bonded Turntrans-54127.1174.5-25.134.6000111.3A353A353-P388 HydrophobicContact CB-CG 4.48Å
389G82.9Confident74.9Confident45 Ų4585.9 Ų85.946%0.46443%0.428SS..THydrogen-bonded Turntrans91.5-11.2-178.600000115.4A350 R387 R391A350-G389 PolarHBondContact O-N 3.47Å; R387-G389 PolarHBondContact O-N 3.02Å; G389-R391 PolarHBondContact O-N 3.44Å
390D85.3Confident77.2Confident64 Ų6481.8 Ų81.834%0.34240%0.399SS..  trans-61.7135175.5-72.5-12.6000110.2R349 A350 R387 W392R349-D390 WeakPolarHBondContact CA-O 3.43Å; A350-D390 PolarHBondContact N-O 2.84Å; A350-D390 VanDerWaalsContact N-O 3.1Å; R387-D390 WeakPolarHBondContact CB-OD2 3.46Å; R387-D390 PolarHBondContact N-OD2 3.23Å; R387-D390 VanDerWaalsContact O-CB 3.3Å; R387-D390 WeakPolarHBondContact O-CB 3.15Å; R387-D390 PolarHBondContact O-N 3.34Å; D390-W392 WeakPolarHBondContact O-CZ3 3.36Å
391R86.4Confident79.5Confident118 Ų11871.2 Ų71.245%0.44536%0.36SS..EExtended strand (participates in β ladder)trans-111.8136.8176.4-60.4-177.5-172.6-1740.3110.3L348 G389 L409L348-R391 VanDerWaalsContact O-CA 3.28Å; L348-R391 WeakPolarHBondContact O-CA 3.47Å; G389-R391 PolarHBondContact O-N 3.44Å; R391-L409 HydrophobicContact CG-CD1 4.31Å
392W87.9Confident81.8Confident4 Ų460.1 Ų60.12%0.01532%0.32CS..EExtended strand (participates in β ladder)trans-146.5160.3173.169.1100.9000110.5V347 L348 A350 F354 Y359 R386 D390 V406V347-W392 WeakPolarHBondContact CA-O 3.46Å; L348-W392 HydrophobicContact CB-CD2 4.04Å; L348-W392 HydrophobicContact CB-CE3 4.4Å; L348-W392 HydrophobicContact CB-CH2 4.11Å; L348-W392 HydrophobicContact CB-CZ2 3.72Å; L348-W392 HydrophobicContact CB-CZ3 4.44Å; L348-W392 HydrophobicContact CD1-CZ2 3.88Å; L348-W392 HydrophobicContact CG-CZ2 4.46Å; L348-W392 PolarHBondContact N-O 2.61Å; L348-W392 PolarHBondContact O-N 2.92Å; L348-W392 VanDerWaalsContact O-N 3.16Å; A350-W392 HydrophobicContact CB-CH2 4.11Å; A350-W392 HydrophobicContact CB-CZ3 3.8Å; F354-W392 HydrophobicContact CE1-CH2 4.08Å; F354-W392 AromaticContact CZ-CH2 4Å; F354-W392 HydrophobicContact CZ-CH2 4Å; F354-W392 HydrophobicContact CZ-CZ2 4.2Å; Y359-W392 AromaticContact CE2-CD1 3.66Å; Y359-W392 AromaticContact CE2-NE1 3.99Å; R386-W392 HydrophobicContact CB-CZ3 4.37Å; R386-W392 HydrophobicContact CG-CE3 4.48Å; R386-W392 HydrophobicContact CG-CH2 4.1Å; R386-W392 HydrophobicContact CG-CZ2 4.47Å; R386-W392 HydrophobicContact CG-CZ3 4.09Å; D390-W392 WeakPolarHBondContact O-CZ3 3.36Å; W392-V406 HydrophobicContact CH2-CG1 4.14Å; W392-V406 HydrophobicContact CH2-CG2 3.96Å; W392-V406 HydrophobicContact CZ2-CG1 4.22Å; W392-V406 HydrophobicContact CZ2-CG2 4.23Å
393M87.3Confident83.9Confident8 Ų857.4 Ų57.44%0.03930%0.301CS..EExtended strand (participates in β ladder)trans-106.5136.1176.5177.6170.4-71.400110.8L346 V347 Y359 R395 Q412 M442 L443 Q445L346-M393 CarbonylContact O-C 3.52Å; L346-M393 VanDerWaalsContact O-CA 3.31Å; L346-M393 WeakPolarHBondContact O-CA 3.47Å; V347-M393 HydrophobicContact CG2-CE 3.56Å; Y359-M393 PolarHBondContact OH-O 2.64Å; Y359-M393 VanDerWaalsContact OH-O 3.11Å; M393-R395 HydrophobicContact CG-CG 4.21Å; M393-R395 HydrophobicContact SD-CG 4.37Å; M393-Q412 HydrophobicContact CE-CB 3.92Å; M393-Q412 HydrophobicContact CE-CG 4.01Å; M393-M442 HydrophobicContact SD-CG 4.24Å; M393-M442 HydrophobicContact SD-SD 3.78Å; M393-L443 WeakPolarHBondContact CE-O 3.36Å; M393-Q445 HydrophobicContact CB-CB 4.29Å
394L86.3Confident85.1Confident14 Ų1459 Ų597%0.07331%0.311CS..EExtended strand (participates in β ladder)trans-111.5122.1173.1-170.5131.2000108.3L340 G345 L346 L348 L398 Y400L340-L394 HydrophobicContact CD1-CD2 3.63Å; G345-L394 CarbonylContact C-O 3.58Å; G345-L394 WeakPolarHBondContact CA-O 3.34Å; L346-L394 PolarHBondContact N-O 3.3Å; L346-L394 PolarHBondContact O-N 2.91Å; L348-L394 HydrophobicContact CD1-CB 4.11Å; L348-L394 HydrophobicContact CD1-CD1 4.29Å; L394-L398 HydrophobicContact CD2-CD1 3.34Å; L394-L398 HydrophobicContact CD2-CD2 3.52Å; L394-L398 HydrophobicContact CD2-CG 3.85Å; L394-L398 HydrophobicContact CG-CD2 4.02Å; L394-Y400 HydrophobicContact CD1-CD2 4.19Å; L394-Y400 HydrophobicContact CD1-CE2 4.21Å; L394-Y400 HydrophobicContact CD2-CD2 4.3Å; L394-Y400 HydrophobicContact CD2-CG 4.27Å
395R86.2Confident85.6Confident135 Ų13557.2 Ų57.251%0.50930%0.304SS..EExtended strand (participates in β ladder)trans-101.4145.4-175.9-62.5-175.8179.4-166.90.5110.2M393 L398 M442 N444M393-R395 HydrophobicContact CG-CG 4.21Å; M393-R395 HydrophobicContact SD-CG 4.37Å; R395-L398 WeakPolarHBondContact O-CD2 3.44Å; R395-M442 HydrophobicContact CG-SD 4.22Å; R395-N444 PolarHBondContact NH2-OD1 2.86Å
396G83.5Confident85.9Confident16 Ų1653.1 Ų53.117%0.16528%0.283CS..SBendtrans-74177173.200000113.1S341 E344S341-G396 VanDerWaalsContact O-CA 3.27Å; S341-G396 WeakPolarHBondContact O-CA 3.44Å; E344-G396 PolarHBondContact O-N 3.5Å
397P86.8Confident86.1Confident92 Ų9255.4 Ų55.460%0.59729%0.294SS*.SBendcis-90.1116.67.732.5-28.6000112.6L340 E342L340-P397 VanDerWaalsContact O-CA 3.24Å; L340-P397 WeakPolarHBondContact O-CA 3.37Å; E342-P397 HydrophobicContact CG-CB 4.23Å; E342-P397 HydrophobicContact CG-CG 3.87Å
398L85.4Confident86.2Confident63 Ų6348.8 Ų48.833%0.3327%0.273SS..EExtended strand (participates in β ladder)trans-157.8161.7176.865.887.4000112.3L340 L394 R395L340-L398 HydrophobicContact CD1-CD1 4.23Å; L340-L398 HydrophobicContact CD1-CG 4.43Å; L340-L398 PolarHBondContact N-O 3.08Å; L340-L398 PolarHBondContact O-N 3.36Å; L394-L398 HydrophobicContact CD2-CD1 3.34Å; L394-L398 HydrophobicContact CD2-CD2 3.52Å; L394-L398 HydrophobicContact CD2-CG 3.85Å; L394-L398 HydrophobicContact CG-CD2 4.02Å; R395-L398 WeakPolarHBondContact O-CD2 3.44Å
399E85Confident86.2Confident105 Ų10547.9 Ų47.949%0.49126%0.263SS..EExtended strand (participates in β ladder)trans-100.7118.6170.8-61.6-170.3162.900110.3R293 V337 Y338 V339R293-E399 IonicContact CZ-OE1 2.94Å; R293-E399 IonicContact NE-OE1 2.8Å; R293-E399 PolarHBondContact NE-OE1 3.31Å; R293-E399 IonicContact NH2-OE1 3.81Å; R293-E399 PolarHBondContact NH2-OE1 3Å; V337-E399 HydrophobicContact CG1-CB 3.97Å; Y338-E399 CarbonylContact O-C 3.52Å; Y338-E399 WeakPolarHBondContact O-CA 3.43Å; V339-E399 HydrophobicContact CG2-CG 4.23Å
400Y87.6Confident86.3Confident8 Ų850 Ų503%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-117.6135.2-175.3-173.4-109.5000112.4V337 Y338 L346 L348 E358 L394 P402 P403V337-Y400 WeakPolarHBondContact CG1-O 3.36Å; Y338-Y400 WeakPolarHBondContact CB-O 3.29Å; Y338-Y400 PolarHBondContact N-O 3.34Å; Y338-Y400 PolarHBondContact O-N 3.44Å; L346-Y400 HydrophobicContact CD1-CD1 3.78Å; L346-Y400 HydrophobicContact CD1-CG 4.39Å; L348-Y400 HydrophobicContact CD1-CE1 3.78Å; L348-Y400 HydrophobicContact CD1-CE2 4.36Å; L348-Y400 WeakPolarHBondContact CD1-OH 3.36Å; L348-Y400 HydrophobicContact CD2-CD1 4.49Å; L348-Y400 HydrophobicContact CD2-CE1 3.73Å; L348-Y400 HydrophobicContact CG-CE1 4.43Å; E358-Y400 WeakPolarHBondContact OE2-CE2 3.47Å; L394-Y400 HydrophobicContact CD1-CD2 4.19Å; L394-Y400 HydrophobicContact CD1-CE2 4.21Å; L394-Y400 HydrophobicContact CD2-CD2 4.3Å; L394-Y400 HydrophobicContact CD2-CG 4.27Å; Y400-P402 HydrophobicContact CE1-CB 4.04Å; Y400-P403 WeakPolarHBondContact OH-CD 3.25Å
401V87.5Confident86.4Confident15 Ų1551.2 Ų51.29%0.09127%0.266CS..  trans-122.4116.2170.8178.10000107.8Y295 V315 K317 V337 P403Y295-V401 HydrophobicContact CD1-CG1 4.11Å; Y295-V401 HydrophobicContact CD1-CG2 4.21Å; Y295-V401 HydrophobicContact CD2-CG1 3.5Å; Y295-V401 HydrophobicContact CE1-CG1 4.47Å; Y295-V401 HydrophobicContact CE2-CG1 3.91Å; Y295-V401 HydrophobicContact CG-CG1 3.6Å; Y295-V401 HydrophobicContact CG-CG2 4.28Å; V315-V401 HydrophobicContact CG1-CG1 3.72Å; K317-V401 HydrophobicContact CB-CG1 4.4Å; K317-V401 HydrophobicContact CB-CG2 4.38Å; K317-V401 HydrophobicContact CD-CB 3.96Å; K317-V401 HydrophobicContact CD-CG1 4.16Å; K317-V401 HydrophobicContact CD-CG2 3.98Å; V337-V401 HydrophobicContact CB-CG2 4.2Å; V337-V401 HydrophobicContact CG1-CG2 3.74Å; V337-V401 HydrophobicContact CG2-CG2 3.68Å; V401-P403 WeakPolarHBondContact O-CD 3.46Å
402P86.8Confident86.3Confident15 Ų1547 Ų4710%0.09725%0.251CS..  trans-63.1127.4-178.125.4-33000110.5Y295 Y338 Y400 V408Y295-P402 HydrophobicContact CE2-CG 4.29Å; Y295-P402 WeakPolarHBondContact OH-CG 3.45Å; Y338-P402 HydrophobicContact CE2-CG 4.18Å; Y400-P402 HydrophobicContact CE1-CB 4.04Å; P402-V408 HydrophobicContact CB-CG2 3.97Å; P402-V408 HydrophobicContact CG-CG2 4.08Å
403P86.7Confident86.3Confident44 Ų4454.5 Ų54.529%0.28628%0.28SS..  trans-68.8162.7168.930.2-35.3000110.3Y400 V401 S405 V406Y400-P403 WeakPolarHBondContact OH-CD 3.25Å; V401-P403 WeakPolarHBondContact O-CD 3.46Å; P403-S405 PolarHBondContact O-N 2.9Å; P403-V406 HydrophobicContact CG-CB 3.93Å; P403-V406 HydrophobicContact CG-CG2 3.59Å; P403-V406 PolarHBondContact O-N 3.22Å
404A84.3Confident86.4Confident57 Ų5754.9 Ų54.947%0.47128%0.284SS..THydrogen-bonded Turntrans-57.5-25.4-176.800000114.3K313 V315 V406K313-A404 HydrophobicContact CB-CB 4.11Å; V315-A404 HydrophobicContact CG2-CB 4.31Å; A404-V406 VanDerWaalsContact C-N 3.34Å
405S85.3Confident86.5Confident19 Ų1956 Ų5613%0.13329%0.29CS..THydrogen-bonded Turntrans-83.3-3.8178.852.70000114.4V351 F354 P403V351-S405 PolarHBondContact N-O 2.96Å; F354-S405 WeakPolarHBondContact CD1-OG 3.3Å; F354-S405 VanDerWaalsContact CG-OG 3.31Å; F354-S405 WeakPolarHBondContact CG-OG 3.39Å; P403-S405 PolarHBondContact O-N 2.9Å
406V87.5Confident86.5Confident10 Ų1054 Ų546%0.06129%0.294CS..EExtended strand (participates in β ladder)trans-123.4137-175179.40000111L348 F354 W392 P403 A404L348-V406 HydrophobicContact CB-CG1 3.93Å; L348-V406 HydrophobicContact CD1-CG1 4.33Å; L348-V406 HydrophobicContact CD2-CG1 4.06Å; L348-V406 HydrophobicContact CG-CG1 4.33Å; F354-V406 HydrophobicContact CD1-CG2 4.27Å; F354-V406 HydrophobicContact CE1-CG2 3.25Å; F354-V406 HydrophobicContact CE2-CG2 4.02Å; F354-V406 HydrophobicContact CZ-CG2 3.11Å; W392-V406 HydrophobicContact CH2-CG1 4.14Å; W392-V406 HydrophobicContact CH2-CG2 3.96Å; W392-V406 HydrophobicContact CZ2-CG1 4.22Å; W392-V406 HydrophobicContact CZ2-CG2 4.23Å; P403-V406 HydrophobicContact CG-CB 3.93Å; P403-V406 HydrophobicContact CG-CG2 3.59Å; P403-V406 PolarHBondContact O-N 3.22Å; A404-V406 VanDerWaalsContact C-N 3.34Å
407E86.8Confident86.8Confident78 Ų7853.7 Ų53.736%0.36429%0.289SS..EExtended strand (participates in β ladder)trans-112.7133.8173.8-172.5-177.2174.100110.2L348 R349 V351L348-E407 WeakPolarHBondContact CA-O 3.38Å; R349-E407 IonicContact CZ-OE2 3.37Å; R349-E407 PolarHBondContact N-O 3.39Å; R349-E407 IonicContact NE-OE2 3.41Å; R349-E407 PolarHBondContact NE-OE2 2.77Å; R349-E407 VanDerWaalsContact NH2-CD 3.29Å; R349-E407 IonicContact NH2-OE1 3.19Å; R349-E407 PolarHBondContact NH2-OE1 3.07Å; R349-E407 IonicContact NH2-OE2 2.64Å; R349-E407 PolarHBondContact NH2-OE2 2.88Å; R349-E407 PolarHBondContact O-N 2.97Å; V351-E407 HydrophobicContact CG2-CB 3.95Å
408V88.9Confident86.6Confident33 Ų3354.3 Ų54.320%0.229%0.287CS..EExtended strand (participates in β ladder)trans-84.2113173.9-175.90000108.2Y338 L346 L348 P402Y338-V408 HydrophobicContact CE1-CG1 4.44Å; Y338-V408 HydrophobicContact CE2-CG2 3.99Å; L346-V408 HydrophobicContact CD2-CG1 3.92Å; L348-V408 HydrophobicContact CD2-CB 4.25Å; L348-V408 HydrophobicContact CD2-CG1 4.35Å; L348-V408 HydrophobicContact CD2-CG2 3.74Å; P402-V408 HydrophobicContact CB-CG2 3.97Å; P402-V408 HydrophobicContact CG-CG2 4.08Å
409L86.1Confident86.6Confident62 Ų6258.5 Ų58.533%0.32531%0.305SS..EExtended strand (participates in β ladder)trans-82.3-50.4-179.8-70-179.1000111.9V347 R349 R391V347-L409 HydrophobicContact CG1-CB 4.45Å; V347-L409 HydrophobicContact CG1-CD1 4.37Å; V347-L409 PolarHBondContact O-N 2.94Å; R349-L409 HydrophobicContact CB-CD1 3.8Å; R349-L409 HydrophobicContact CB-CD2 4.26Å; R349-L409 HydrophobicContact CB-CG 3.84Å; R391-L409 HydrophobicContact CG-CD1 4.31Å
410L84.6Confident86.6Confident90 Ų9057.4 Ų57.447%0.47130%0.302SS..EExtended strand (participates in β ladder)trans-151.6137.6-171.3-164.5121.5000111.1V347 Q412V347-L410 HydrophobicContact CB-CB 4.37Å; V347-L410 PolarHBondContact N-O 3.41Å; V347-L410 PolarHBondContact O-N 3.33Å; L410-Q412 HydrophobicContact CD2-CB 4.36Å
411K87.4Confident86.5Confident89 Ų8960.7 Ų60.739%0.38732%0.318SS..EExtended strand (participates in β ladder)trans-89.1108.5166.3-174.9171.4-179.8174.40108.5E344 G345 L346E344-K411 VanDerWaalsContact CD-NZ 3.26Å; E344-K411 WeakPolarHBondContact OE1-CE 2.99Å; E344-K411 IonicContact OE1-NZ 2.84Å; E344-K411 PolarHBondContact OE1-NZ 2.87Å; E344-K411 WeakPolarHBondContact OE2-CE 3.46Å; E344-K411 IonicContact OE2-NZ 2.61Å; E344-K411 PolarHBondContact OE2-NZ 2.93Å; G345-K411 CarbonylContact O-C 3.56Å; L346-K411 HydrophobicContact CD2-CB 3.91Å; L346-K411 HydrophobicContact CD2-CD 4.49Å; L346-K411 HydrophobicContact CD2-CG 3.96Å
412Q84.9Confident86.6Confident30 Ų3060.1 Ų60.114%0.1432%0.316CS..EExtended strand (participates in β ladder)trans-86.4142.7178.3-160.274.435.100109.7G345 M393 L410 M442G345-Q412 PolarHBondContact N-O 2.88Å; G345-Q412 PolarHBondContact O-N 3.07Å; M393-Q412 HydrophobicContact CE-CB 3.92Å; M393-Q412 HydrophobicContact CE-CG 4.01Å; L410-Q412 HydrophobicContact CD2-CB 4.36Å; Q412-M442 HydrophobicContact CG-CG 3.99Å
413R87.5Confident86.9Confident161 Ų16159.6 Ų59.661%0.60831%0.312SS*.EExtended strand (participates in β ladder)trans-118145.2168.3-65.6-169.6161.4170.3-5.3109.5E344 I415E344-R413 HydrophobicContact CG-CG 4.23Å; E344-R413 IonicContact OE1-CZ 3.58Å; E344-R413 VanDerWaalsContact OE1-CZ 3.27Å; E344-R413 IonicContact OE1-NE 3.96Å; E344-R413 PolarHBondContact OE1-NE 2.92Å; E344-R413 IonicContact OE1-NH2 2.69Å; E344-R413 PolarHBondContact OE1-NH2 2.89Å; R413-I415 PolarHBondContact O-N 2.87Å
414A88.3Confident87.2Confident17 Ų1757.5 Ų57.514%0.1430%0.298CS..  trans-62.2133.9166.900000109.1E343 P416 T440 M442E343-A414 HydrophobicContact CB-CB 4.18Å; E343-A414 PolarHBondContact O-N 3.33Å; A414-P416 WeakPolarHBondContact O-CD 3.47Å; A414-T440 HydrophobicContact CB-CG2 3.7Å; A414-M442 HydrophobicContact CB-CB 4.18Å; A414-M442 HydrophobicContact CB-CE 4.04Å
415I88.8Confident87.6Confident36 Ų3654.8 Ų54.819%0.18528%0.276CS..BIsolated β-bridgetrans-94.8114.6178.5-59171.8000106.4R413 L417 I423 T440 Y441 L443 L449R413-I415 PolarHBondContact O-N 2.87Å; I415-L417 HydrophobicContact CG2-CD2 3.88Å; I415-L417 HydrophobicContact CG2-CG 4.37Å; I415-L417 PolarHBondContact O-N 3.42Å; I415-I423 HydrophobicContact CD1-CD1 3.87Å; I415-T440 WeakPolarHBondContact O-CA 3.39Å; I415-Y441 PolarHBondContact N-O 3.17Å; I415-Y441 PolarHBondContact O-N 2.71Å; I415-L443 HydrophobicContact CD1-CD1 3.54Å; I415-L443 HydrophobicContact CG1-CD1 4.47Å; I415-L449 HydrophobicContact CD1-CD1 4.26Å; I415-L449 HydrophobicContact CD1-CD2 4.14Å
416P86.8Confident87.9Confident93 Ų9358.6 Ų58.660%0.60429%0.287SS*.  trans-69.2124.9176.128.2-32.8000109.1A414A414-P416 WeakPolarHBondContact O-CD 3.47Å
417L88.9Confident88Confident11 Ų1159.5 Ų59.56%0.05829%0.292CS..  trans-123.4126.3177.7-56.1171.1000108.3I415 I423 H439I415-L417 HydrophobicContact CG2-CD2 3.88Å; I415-L417 HydrophobicContact CG2-CG 4.37Å; I415-L417 PolarHBondContact O-N 3.42Å; L417-I423 HydrophobicContact CD1-CD1 4.23Å; L417-I423 HydrophobicContact CD1-CG1 3.91Å; L417-I423 HydrophobicContact CD2-CG2 3.94Å; L417-H439 WeakPolarHBondContact CB-O 3.47Å; L417-H439 WeakPolarHBondContact CD1-O 3.26Å
418D84.5Confident88Confident105 Ų10559.9 Ų59.956%0.56130%0.295SS*.  trans-78.9167.6172.3-164.410.2000110.7N420 E421 G438D418-N420 PolarHBondContact O-N 2.91Å; D418-E421 HydrophobicContact CB-CB 4.44Å; D418-E421 HydrophobicContact CB-CG 4.21Å; D418-E421 PolarHBondContact O-N 2.91Å; D418-G438 WeakPolarHBondContact O-CA 3.45Å
419E83.4Confident87.8Confident150 Ų15065.4 Ų65.470%0.70132%0.317SS*.THydrogen-bonded Turntrans-53.7-33.4-176.6-69.5-176.6174.300113.5
420N85.4Confident87.8Confident82 Ų8267.1 Ų67.144%0.43933%0.33SS..THydrogen-bonded Turntrans-100.19.1-178.7-66.8-58.7000113.8D418 L518D418-N420 PolarHBondContact O-N 2.91Å; N420-L518 HydrophobicContact CB-CD2 3.75Å; N420-L518 WeakPolarHBondContact OD1-CD2 3.43Å
421E86.1Confident87.9Confident78 Ų7864.4 Ų64.436%0.36432%0.324SS..  trans-118.1151.9179.5-63.3-164.4159.400111.4D418 I437 G438 R488D418-E421 HydrophobicContact CB-CB 4.44Å; D418-E421 HydrophobicContact CB-CG 4.21Å; D418-E421 PolarHBondContact O-N 2.91Å; E421-I437 WeakPolarHBondContact O-CA 3.45Å; E421-I437 VanDerWaalsContact O-CG2 3.29Å; E421-I437 WeakPolarHBondContact O-CG2 3.44Å; E421-G438 PolarHBondContact O-N 3.45Å; E421-G438 VanDerWaalsContact O-N 3.11Å; E421-R488 VanDerWaalsContact CD-NH1 3.28Å; E421-R488 IonicContact OE1-NH1 2.94Å; E421-R488 PolarHBondContact OE1-NH1 3.49Å; E421-R488 IonicContact OE2-CZ 2.85Å; E421-R488 IonicContact OE2-NH1 3.23Å; E421-R488 PolarHBondContact OE2-NH1 3.44Å
422G89.2Confident87.9Confident3 Ų366.7 Ų66.73%0.03133%0.334CS..EExtended strand (participates in β ladder)trans-159170176.400000112.6V436 R488 V489G422-V436 CarbonylContact C-O 3.57Å; G422-V436 WeakPolarHBondContact CA-O 3.32Å; G422-R488 CarbonylContact O-C 3.57Å; G422-R488 WeakPolarHBondContact O-CA 3.5Å; G422-V489 VanDerWaalsContact C-CG2 3.41Å; G422-V489 PolarHBondContact O-N 3.5Å
423I93.2Very high88.2Confident3 Ų366.5 Ų66.52%0.01533%0.334CS..EExtended strand (participates in β ladder)trans-127150.4175.853.6176.3000110.2I415 L417 V425 A435 V436 Y441 L449 T487 R488I415-I423 HydrophobicContact CD1-CD1 3.87Å; L417-I423 HydrophobicContact CD1-CD1 4.23Å; L417-I423 HydrophobicContact CD1-CG1 3.91Å; L417-I423 HydrophobicContact CD2-CG2 3.94Å; I423-V425 HydrophobicContact CD1-CG2 3.92Å; I423-V425 HydrophobicContact CG1-CG2 3.96Å; I423-A435 WeakPolarHBondContact O-CA 3.48Å; I423-V436 HydrophobicContact CG1-CB 4.37Å; I423-V436 PolarHBondContact N-O 2.72Å; I423-V436 PolarHBondContact O-N 3.1Å; I423-Y441 HydrophobicContact CD1-CD1 4.22Å; I423-L449 HydrophobicContact CB-CD2 4Å; I423-L449 HydrophobicContact CD1-CD2 3.87Å; I423-L449 HydrophobicContact CG1-CD2 4.41Å; I423-L449 HydrophobicContact CG2-CD2 4.29Å; I423-T487 WeakPolarHBondContact CA-O 3.41Å; I423-R488 HydrophobicContact CG2-CG 4.39Å
424Y93.4Very high88.3Confident0 Ų062.9 Ų62.90%032%0.321CS..EExtended strand (participates in β ladder)trans-88.3126.2167.8-58.9-69.6000109.7R434 A435 W450 K452 T487 R488 V489 V490 L521 P523Y424-R434 WeakPolarHBondContact CA-O 3.31Å; Y424-A435 HydrophobicContact CD1-CB 4.03Å; Y424-A435 HydrophobicContact CE1-CB 4.1Å; Y424-W450 WeakPolarHBondContact CB-O 3.47Å; Y424-W450 HydrophobicContact CD2-CE3 4.4Å; Y424-W450 HydrophobicContact CG-CE3 4.03Å; Y424-W450 HydrophobicContact CG-CZ3 4.49Å; Y424-W450 PolarHBondContact O-N 2.96Å; Y424-K452 HydrophobicContact CD2-CB 3.87Å; Y424-K452 HydrophobicContact CE1-CD 4.27Å; Y424-K452 HydrophobicContact CE2-CB 3.57Å; Y424-K452 HydrophobicContact CE2-CD 3.7Å; Y424-K452 HydrophobicContact CE2-CG 4.3Å; Y424-K452 VanDerWaalsContact CZ-CD 3.49Å; Y424-K452 WeakPolarHBondContact OH-CD 3.49Å; Y424-K452 PolarHBondContact OH-NZ 3.19Å; Y424-T487 WeakPolarHBondContact CD2-O 3.39Å; Y424-T487 PolarHBondContact N-O 2.86Å; Y424-R488 VanDerWaalsContact CE2-O 3.31Å; Y424-R488 WeakPolarHBondContact CE2-O 3.44Å; Y424-V489 HydrophobicContact CD1-CG2 4.22Å; Y424-V489 HydrophobicContact CE1-CG2 4Å; Y424-V489 HydrophobicContact CE2-CG2 4.45Å; Y424-V490 HydrophobicContact CE2-CG2 4.49Å; Y424-V490 PolarHBondContact OH-N 3.45Å; Y424-L521 PolarHBondContact OH-O 3.21Å; Y424-P523 HydrophobicContact CD1-CB 4.45Å; Y424-P523 HydrophobicContact CD1-CG 4.09Å; Y424-P523 HydrophobicContact CE1-CG 4.32Å
425V92.4Very high88.4Confident0 Ų063.6 Ų63.60%033%0.327CS..EExtended strand (participates in β ladder)trans-117.4131.3179.5-176.30000108.4I423 V433 R434 V436 Y441 L443 E447 E448I423-V425 HydrophobicContact CD1-CG2 3.92Å; I423-V425 HydrophobicContact CG1-CG2 3.96Å; V425-V433 WeakPolarHBondContact O-CA 3.49Å; V425-R434 PolarHBondContact N-O 3.49Å; V425-R434 PolarHBondContact O-N 3.32Å; V425-V436 HydrophobicContact CB-CG2 4.43Å; V425-V436 HydrophobicContact CG2-CG2 3.92Å; V425-Y441 HydrophobicContact CG2-CD1 4.47Å; V425-Y441 HydrophobicContact CG2-CE1 4.2Å; V425-L443 HydrophobicContact CG1-CD2 4.26Å; V425-E447 HydrophobicContact CG1-CB 3.63Å; V425-E447 HydrophobicContact CG1-CG 3.79Å; V425-E448 WeakPolarHBondContact CA-O 3.45Å
426R91.7Very high88.5Confident99 Ų9962.5 Ų62.537%0.37432%0.322SS..EExtended strand (participates in β ladder)trans-111.7129.5172.7177.9178.9-173-156.96.8109.6V433 E447 E448 W450R426-V433 HydrophobicContact CB-CG2 4.09Å; R426-V433 HydrophobicContact CG-CG2 4.05Å; R426-E447 WeakPolarHBondContact O-CA 3.49Å; R426-E448 HydrophobicContact CB-CG 4.12Å; R426-E448 PolarHBondContact N-O 3.33Å; R426-E448 IonicContact NH1-OE1 3.45Å; R426-E448 PolarHBondContact NH1-OE1 3.06Å; R426-E448 PolarHBondContact O-N 2.95Å; R426-W450 HydrophobicContact CB-CB 3.87Å; R426-W450 HydrophobicContact CB-CG 4.3Å
427D89.8Confident88.7Confident30 Ų3060.7 Ų60.716%0.1631%0.306CS..EExtended strand (participates in β ladder)trans-79.7124.9169.2176.8-17.2000109.5K429 T430 G431 K432 D446D427-K429 VanDerWaalsContact C-N 3.34Å; D427-K429 WeakPolarHBondContact OD1-CA 3.45Å; D427-K429 WeakPolarHBondContact OD1-CB 3.4Å; D427-K429 PolarHBondContact OD1-N 3.28Å; D427-T430 VanDerWaalsContact CB-OG1 3.26Å; D427-T430 WeakPolarHBondContact CB-OG1 3.44Å; D427-T430 PolarHBondContact OD1-N 2.9Å; D427-T430 VanDerWaalsContact OD1-N 3.12Å; D427-T430 VanDerWaalsContact OD2-CG2 3.28Å; D427-T430 WeakPolarHBondContact OD2-CG2 3.42Å; D427-T430 PolarHBondContact OD2-OG1 3.29Å; D427-G431 WeakPolarHBondContact O-CA 3.46Å; D427-G431 PolarHBondContact O-N 3.34Å; D427-K432 PolarHBondContact N-O 3.38Å; D427-K432 VanDerWaalsContact N-O 3.07Å; D427-D446 CarbonylContact C-O 3.57Å; D427-D446 WeakPolarHBondContact CA-O 3.5Å
428I86.3Confident88.4Confident85 Ų8561.7 Ų61.744%0.43632%0.319SS..THydrogen-bonded Turntrans-69.5-32.2-177.6-59.8169.3000111D446 E448I428-D446 WeakPolarHBondContact CG1-O 3.38Å; I428-D446 PolarHBondContact N-O 3.3Å; I428-E448 HydrophobicContact CD1-CB 4.42Å; I428-E448 HydrophobicContact CG1-CB 4.43Å; I428-E448 HydrophobicContact CG1-CG 4.11Å
429K85.4Confident88.5Confident150 Ų15061.7 Ų61.765%0.65232%0.316SS*.THydrogen-bonded Turntrans-79.8-47.2-179.8-72.1177.5174.4159.50111.8D427 D446D427-K429 VanDerWaalsContact C-N 3.34Å; D427-K429 WeakPolarHBondContact OD1-CA 3.45Å; D427-K429 WeakPolarHBondContact OD1-CB 3.4Å; D427-K429 PolarHBondContact OD1-N 3.28Å; K429-D446 HydrophobicContact CD-CB 4.32Å; K429-D446 VanDerWaalsContact CE-CG 3.43Å; K429-D446 WeakPolarHBondContact CE-OD1 3.48Å; K429-D446 WeakPolarHBondContact CE-OD2 3.38Å; K429-D446 HydrophobicContact CG-CB 4.43Å; K429-D446 VanDerWaalsContact NZ-CG 3.3Å; K429-D446 IonicContact NZ-OD1 2.67Å; K429-D446 PolarHBondContact NZ-OD1 2.91Å; K429-D446 IonicContact NZ-OD2 3.88Å; K429-D446 PolarHBondContact NZ-OD2 2.89Å
430T86.9Confident88.7Confident97 Ų9758.3 Ų58.360%0.59531%0.305SS*.THydrogen-bonded Turntrans-91.9-17.7-175.666.20000113.2D427 K432D427-T430 VanDerWaalsContact CB-OG1 3.26Å; D427-T430 WeakPolarHBondContact CB-OG1 3.44Å; D427-T430 PolarHBondContact OD1-N 2.9Å; D427-T430 VanDerWaalsContact OD1-N 3.12Å; D427-T430 VanDerWaalsContact OD2-CG2 3.28Å; D427-T430 WeakPolarHBondContact OD2-CG2 3.42Å; D427-T430 PolarHBondContact OD2-OG1 3.29Å; T430-K432 PolarHBondContact O-N 2.66Å; T430-K432 WeakPolarHBondContact OG1-CB 3.29Å; T430-K432 PolarHBondContact OG1-N 2.65Å
431G85.4Confident88.8Confident34 Ų3456 Ų5635%0.35129%0.291SS..  trans70.60.3-173.200000114D427 V433D427-G431 WeakPolarHBondContact O-CA 3.46Å; D427-G431 PolarHBondContact O-N 3.34Å; G431-V433 PolarHBondContact O-N 3.3Å
432K87.4Confident88.9Confident136 Ų13653.2 Ų53.259%0.59128%0.278SS*.  trans-72.6125.9-175.1-171.7178-179.9-1780110.1D427 T430D427-K432 PolarHBondContact N-O 3.38Å; D427-K432 VanDerWaalsContact N-O 3.07Å; T430-K432 PolarHBondContact O-N 2.66Å; T430-K432 WeakPolarHBondContact OG1-CB 3.29Å; T430-K432 PolarHBondContact OG1-N 2.65Å
433V91.1Very high88.8Confident26 Ų2653.2 Ų53.216%0.15828%0.277CS..EExtended strand (participates in β ladder)trans-99133.2174.7-171.20000109.4V425 R426 G431 W450 P523V425-V433 WeakPolarHBondContact O-CA 3.49Å; R426-V433 HydrophobicContact CB-CG2 4.09Å; R426-V433 HydrophobicContact CG-CG2 4.05Å; G431-V433 PolarHBondContact O-N 3.3Å; V433-W450 HydrophobicContact CG1-CB 4.11Å; V433-W450 HydrophobicContact CG1-CD2 3.65Å; V433-W450 HydrophobicContact CG1-CE3 3.57Å; V433-W450 HydrophobicContact CG1-CG 3.9Å; V433-W450 HydrophobicContact CG1-CZ3 4.16Å; V433-W450 HydrophobicContact CG2-CD2 4.19Å; V433-W450 HydrophobicContact CG2-CG 4.14Å; V433-P523 HydrophobicContact CB-CB 4.17Å; V433-P523 HydrophobicContact CB-CG 4.42Å; V433-P523 HydrophobicContact CG1-CB 3.75Å; V433-P523 HydrophobicContact CG1-CG 3.94Å
434R89.6Confident88.6Confident86 Ų8655.7 Ų55.733%0.32529%0.29SS..EExtended strand (participates in β ladder)trans-138.4155.7174.266.3-177.9-173.5-97.62.4110.9Y424 V425 V436 Y441 E447Y424-R434 WeakPolarHBondContact CA-O 3.31Å; V425-R434 PolarHBondContact N-O 3.49Å; V425-R434 PolarHBondContact O-N 3.32Å; R434-V436 HydrophobicContact CG-CG2 4.43Å; R434-Y441 PolarHBondContact NH2-OH 3.31Å; R434-E447 IonicContact CZ-OE1 3.3Å; R434-E447 IonicContact NH1-OE1 3.04Å; R434-E447 IonicContact NH2-OE1 2.86Å; R434-E447 PolarHBondContact NH2-OE1 3.17Å
435A91.2Very high88.1Confident32 Ų3258.6 Ų58.626%0.26430%0.304SS..EExtended strand (participates in β ladder)trans-92.1128.916900000108.9I423 Y424 I437 V489I423-A435 WeakPolarHBondContact O-CA 3.48Å; Y424-A435 HydrophobicContact CD1-CB 4.03Å; Y424-A435 HydrophobicContact CE1-CB 4.1Å; A435-I437 HydrophobicContact CB-CD1 4.3Å; A435-I437 HydrophobicContact CB-CG1 4.32Å; A435-V489 HydrophobicContact CB-CG2 3.79Å
436V90.8Very high87.8Confident12 Ų1260.1 Ų60.17%0.07331%0.312CS..EExtended strand (participates in β ladder)trans-107.3127.1171.6-177.80000107.6G422 I423 V425 R434 Y441G422-V436 CarbonylContact C-O 3.57Å; G422-V436 WeakPolarHBondContact CA-O 3.32Å; I423-V436 HydrophobicContact CG1-CB 4.37Å; I423-V436 PolarHBondContact N-O 2.72Å; I423-V436 PolarHBondContact O-N 3.1Å; V425-V436 HydrophobicContact CB-CG2 4.43Å; V425-V436 HydrophobicContact CG2-CG2 3.92Å; R434-V436 HydrophobicContact CG-CG2 4.43Å; V436-Y441 HydrophobicContact CG1-CD1 4.34Å; V436-Y441 HydrophobicContact CG1-CD2 3.65Å; V436-Y441 HydrophobicContact CG1-CE2 4.18Å; V436-Y441 HydrophobicContact CG1-CG 3.73Å; V436-Y441 HydrophobicContact CG2-CE1 4.41Å; V436-Y441 HydrophobicContact CG2-CE2 4.48Å
437I90.4Very high87.7Confident56 Ų5656.4 Ų56.429%0.28730%0.299SS..EExtended strand (participates in β ladder)trans-136.5142.8-166.6-49175.5000109.3E421 A435 H439 V489 M520E421-I437 WeakPolarHBondContact O-CA 3.45Å; E421-I437 VanDerWaalsContact O-CG2 3.29Å; E421-I437 WeakPolarHBondContact O-CG2 3.44Å; A435-I437 HydrophobicContact CB-CD1 4.3Å; A435-I437 HydrophobicContact CB-CG1 4.32Å; I437-H439 PolarHBondContact O-N 3.17Å; I437-H439 PolarHBondContact O-ND1 3.39Å; I437-V489 HydrophobicContact CG1-CG2 4.48Å; I437-M520 HydrophobicContact CD1-CE 4.16Å; I437-M520 HydrophobicContact CD1-SD 4.06Å; I437-M520 HydrophobicContact CG2-CE 3.96Å; I437-M520 HydrophobicContact CG2-SD 3.67Å
438G83.3Confident87.7Confident32 Ų3258.8 Ų58.833%0.3331%0.309SS..SBendtrans85.6-1.3159.200000118.3D418 E421D418-G438 WeakPolarHBondContact O-CA 3.45Å; E421-G438 PolarHBondContact O-N 3.45Å; E421-G438 VanDerWaalsContact O-N 3.11Å
439H86.5Confident88Confident105 Ų10558 Ų5849%0.48631%0.306SS..SBendtrans-148.3150.7174.658-79000110.7L417 I437 Y441L417-H439 WeakPolarHBondContact CB-O 3.47Å; L417-H439 WeakPolarHBondContact CD1-O 3.26Å; I437-H439 PolarHBondContact O-N 3.17Å; I437-H439 PolarHBondContact O-ND1 3.39Å; H439-Y441 AromaticContact NE2-CD2 3.94Å; H439-Y441 PolarHBondContact O-N 3.17Å
440T86.6Confident88.3Confident79 Ų7954.2 Ų54.249%0.48529%0.287SS..  trans-54.1123.4175.5-61.40000110.5A414 I415A414-T440 HydrophobicContact CB-CG2 3.7Å; I415-T440 WeakPolarHBondContact O-CA 3.39Å
441Y88.4Confident88.6Confident34 Ų3454.5 Ų54.513%0.13328%0.282CS..BIsolated β-bridgetrans-125.1128.6-174.4-168.1-99.1000111.3I415 I423 V425 R434 V436 H439 E447I415-Y441 PolarHBondContact N-O 3.17Å; I415-Y441 PolarHBondContact O-N 2.71Å; I423-Y441 HydrophobicContact CD1-CD1 4.22Å; V425-Y441 HydrophobicContact CG2-CD1 4.47Å; V425-Y441 HydrophobicContact CG2-CE1 4.2Å; R434-Y441 PolarHBondContact NH2-OH 3.31Å; V436-Y441 HydrophobicContact CG1-CD1 4.34Å; V436-Y441 HydrophobicContact CG1-CD2 3.65Å; V436-Y441 HydrophobicContact CG1-CE2 4.18Å; V436-Y441 HydrophobicContact CG1-CG 3.73Å; V436-Y441 HydrophobicContact CG2-CE1 4.41Å; V436-Y441 HydrophobicContact CG2-CE2 4.48Å; H439-Y441 AromaticContact NE2-CD2 3.94Å; H439-Y441 PolarHBondContact O-N 3.17Å; Y441-E447 WeakPolarHBondContact CE1-OE2 3.45Å; Y441-E447 PolarHBondContact OH-OE1 3.11Å; Y441-E447 PolarHBondContact OH-OE2 3.41Å
442M86.9Confident88.8Confident19 Ų1953.1 Ų53.19%0.09427%0.266CS..PPolyproline II helixtrans-101.5122.3170.4-174.4-177.5-67.300108.3E343 M393 R395 Q412 A414 N444E343-M442 VanDerWaalsContact O-CE 3.23Å; E343-M442 WeakPolarHBondContact O-CE 3.42Å; M393-M442 HydrophobicContact SD-CG 4.24Å; M393-M442 HydrophobicContact SD-SD 3.78Å; R395-M442 HydrophobicContact CG-SD 4.22Å; Q412-M442 HydrophobicContact CG-CG 3.99Å; A414-M442 HydrophobicContact CB-CB 4.18Å; A414-M442 HydrophobicContact CB-CE 4.04Å; M442-N444 PolarHBondContact O-N 3.37Å
443L89.1Confident88.8Confident3 Ų353 Ų532%0.01627%0.268CS..PPolyproline II helixtrans-60.6138.1176.2-71.197000110.2M393 I415 V425 E447 E448 L449M393-L443 WeakPolarHBondContact CE-O 3.36Å; I415-L443 HydrophobicContact CD1-CD1 3.54Å; I415-L443 HydrophobicContact CG1-CD1 4.47Å; V425-L443 HydrophobicContact CG1-CD2 4.26Å; L443-E447 HydrophobicContact CB-CB 4.17Å; L443-E447 HydrophobicContact CD2-CB 4.21Å; L443-E448 VanDerWaalsContact CD2-C 3.44Å; L443-L449 HydrophobicContact CD1-CD2 4.1Å; L443-L449 HydrophobicContact CD1-CG 4.17Å; L443-L449 HydrophobicContact CD2-CD2 4.15Å; L443-L449 HydrophobicContact CD2-CG 3.97Å
444N87.1Confident88.6Confident54 Ų5452.5 Ų52.529%0.28926%0.264SS..PPolyproline II helixtrans-75.8171.7174.4-65.7-40.1000112.4R395 M442 D446 E447R395-N444 PolarHBondContact NH2-OD1 2.86Å; M442-N444 PolarHBondContact O-N 3.37Å; N444-D446 PolarHBondContact O-N 3.45Å; N444-D446 VanDerWaalsContact O-N 3.11Å; N444-E447 HydrophobicContact CB-CB 4.38Å; N444-E447 HydrophobicContact CB-CG 4.05Å; N444-E447 PolarHBondContact N-OE2 2.82Å; N444-E447 PolarHBondContact ND2-OE1 3.02Å; N444-E447 PolarHBondContact ND2-OE2 3.46Å; N444-E447 PolarHBondContact O-N 3.03Å
445Q83.4Confident88.5Confident61 Ų6151.1 Ų51.129%0.28527%0.266SS..THydrogen-bonded Turntrans-60-23.6-179.166.4-117.113.200115.2V347 M393V347-Q445 HydrophobicContact CG1-CB 4.38Å; M393-Q445 HydrophobicContact CB-CB 4.29Å
446D87.1Confident88.1Confident33 Ų3353.2 Ų53.218%0.17628%0.284CS..THydrogen-bonded Turntrans-106.612.2-178.3-62.8-51.7000111.3D427 I428 K429 N444D427-D446 CarbonylContact C-O 3.57Å; D427-D446 WeakPolarHBondContact CA-O 3.5Å; I428-D446 WeakPolarHBondContact CG1-O 3.38Å; I428-D446 PolarHBondContact N-O 3.3Å; K429-D446 HydrophobicContact CD-CB 4.32Å; K429-D446 VanDerWaalsContact CE-CG 3.43Å; K429-D446 WeakPolarHBondContact CE-OD1 3.48Å; K429-D446 WeakPolarHBondContact CE-OD2 3.38Å; K429-D446 HydrophobicContact CG-CB 4.43Å; K429-D446 VanDerWaalsContact NZ-CG 3.3Å; K429-D446 IonicContact NZ-OD1 2.67Å; K429-D446 PolarHBondContact NZ-OD1 2.91Å; K429-D446 IonicContact NZ-OD2 3.88Å; K429-D446 PolarHBondContact NZ-OD2 2.89Å; N444-D446 PolarHBondContact O-N 3.45Å; N444-D446 VanDerWaalsContact O-N 3.11Å
447E88.7Confident87.7Confident21 Ų2156.4 Ų56.410%0.09830%0.3CS..EExtended strand (participates in β ladder)trans-115138-176.9-71.7178.3171.400111V425 R426 R434 Y441 L443 N444V425-E447 HydrophobicContact CG1-CB 3.63Å; V425-E447 HydrophobicContact CG1-CG 3.79Å; R426-E447 WeakPolarHBondContact O-CA 3.49Å; R434-E447 IonicContact CZ-OE1 3.3Å; R434-E447 IonicContact NH1-OE1 3.04Å; R434-E447 IonicContact NH2-OE1 2.86Å; R434-E447 PolarHBondContact NH2-OE1 3.17Å; Y441-E447 WeakPolarHBondContact CE1-OE2 3.45Å; Y441-E447 PolarHBondContact OH-OE1 3.11Å; Y441-E447 PolarHBondContact OH-OE2 3.41Å; L443-E447 HydrophobicContact CB-CB 4.17Å; L443-E447 HydrophobicContact CD2-CB 4.21Å; N444-E447 HydrophobicContact CB-CB 4.38Å; N444-E447 HydrophobicContact CB-CG 4.05Å; N444-E447 PolarHBondContact N-OE2 2.82Å; N444-E447 PolarHBondContact ND2-OE1 3.02Å; N444-E447 PolarHBondContact ND2-OE2 3.46Å; N444-E447 PolarHBondContact O-N 3.03Å
448E90Very high87.4Confident79 Ų7954 Ų5437%0.36929%0.288SS..EExtended strand (participates in β ladder)trans-126.5155.417265.8179.8-172.600110.6V425 R426 I428 L443 W450V425-E448 WeakPolarHBondContact CA-O 3.45Å; R426-E448 HydrophobicContact CB-CG 4.12Å; R426-E448 PolarHBondContact N-O 3.33Å; R426-E448 IonicContact NH1-OE1 3.45Å; R426-E448 PolarHBondContact NH1-OE1 3.06Å; R426-E448 PolarHBondContact O-N 2.95Å; I428-E448 HydrophobicContact CD1-CB 4.42Å; I428-E448 HydrophobicContact CG1-CB 4.43Å; I428-E448 HydrophobicContact CG1-CG 4.11Å; L443-E448 VanDerWaalsContact CD2-C 3.44Å; E448-W450 PolarHBondContact O-N 3.11Å
449L91.8Very high87.4Confident69 Ų6955.5 Ų55.536%0.36129%0.287SS..EExtended strand (participates in β ladder)trans-70.1130.5171.1-71.5172.4000109.2I415 I423 L443 T487I415-L449 HydrophobicContact CD1-CD1 4.26Å; I415-L449 HydrophobicContact CD1-CD2 4.14Å; I423-L449 HydrophobicContact CB-CD2 4Å; I423-L449 HydrophobicContact CD1-CD2 3.87Å; I423-L449 HydrophobicContact CG1-CD2 4.41Å; I423-L449 HydrophobicContact CG2-CD2 4.29Å; L443-L449 HydrophobicContact CD1-CD2 4.1Å; L443-L449 HydrophobicContact CD1-CG 4.17Å; L443-L449 HydrophobicContact CD2-CD2 4.15Å; L443-L449 HydrophobicContact CD2-CG 3.97Å; L449-T487 HydrophobicContact CB-CG2 3.91Å
450W93.6Very high87.1Confident70 Ų7053.2 Ų53.227%0.26529%0.286SS..  trans-104.1130.1-179.8-176.174.5000111.4Y424 R426 V433 E448 K452 P523Y424-W450 WeakPolarHBondContact CB-O 3.47Å; Y424-W450 HydrophobicContact CD2-CE3 4.4Å; Y424-W450 HydrophobicContact CG-CE3 4.03Å; Y424-W450 HydrophobicContact CG-CZ3 4.49Å; Y424-W450 PolarHBondContact O-N 2.96Å; R426-W450 HydrophobicContact CB-CB 3.87Å; R426-W450 HydrophobicContact CB-CG 4.3Å; V433-W450 HydrophobicContact CG1-CB 4.11Å; V433-W450 HydrophobicContact CG1-CD2 3.65Å; V433-W450 HydrophobicContact CG1-CE3 3.57Å; V433-W450 HydrophobicContact CG1-CG 3.9Å; V433-W450 HydrophobicContact CG1-CZ3 4.16Å; V433-W450 HydrophobicContact CG2-CD2 4.19Å; V433-W450 HydrophobicContact CG2-CG 4.14Å; E448-W450 PolarHBondContact O-N 3.11Å; W450-K452 HydrophobicContact CE3-CB 4.06Å; W450-K452 HydrophobicContact CH2-CB 4.14Å; W450-K452 HydrophobicContact CH2-CG 4.1Å; W450-K452 HydrophobicContact CZ3-CB 3.49Å; W450-K452 VanDerWaalsContact CZ3-CB 3.49Å; W450-K452 HydrophobicContact CZ3-CD 4.33Å; W450-K452 HydrophobicContact CZ3-CG 3.77Å; W450-P523 HydrophobicContact CZ3-CB 4.29Å
451E91.5Very high86.8Confident104 Ų10451.6 Ų51.649%0.48627%0.274SS..PPolyproline II helixtrans-85.4119.8177-67-173-172.700110.9K486 T487E451-K486 HydrophobicContact CB-CB 3.86Å; E451-K486 HydrophobicContact CB-CD 4.34Å; E451-K486 HydrophobicContact CG-CB 3.92Å; E451-K486 WeakPolarHBondContact OE2-CD 3.39Å; E451-T487 HydrophobicContact CG-CG2 3.87Å
452K89.9Confident86.4Confident4 Ų451.6 Ų51.62%0.01728%0.276CS..PPolyproline II helixtrans-86.9116.9171.8-172.9174.7-180-178.90110.5Y424 W450 R484 K486 V490 L521 G522 P523 E525Y424-K452 HydrophobicContact CD2-CB 3.87Å; Y424-K452 HydrophobicContact CE1-CD 4.27Å; Y424-K452 HydrophobicContact CE2-CB 3.57Å; Y424-K452 HydrophobicContact CE2-CD 3.7Å; Y424-K452 HydrophobicContact CE2-CG 4.3Å; Y424-K452 VanDerWaalsContact CZ-CD 3.49Å; Y424-K452 WeakPolarHBondContact OH-CD 3.49Å; Y424-K452 PolarHBondContact OH-NZ 3.19Å; W450-K452 HydrophobicContact CE3-CB 4.06Å; W450-K452 HydrophobicContact CH2-CB 4.14Å; W450-K452 HydrophobicContact CH2-CG 4.1Å; W450-K452 HydrophobicContact CZ3-CB 3.49Å; W450-K452 VanDerWaalsContact CZ3-CB 3.49Å; W450-K452 HydrophobicContact CZ3-CD 4.33Å; W450-K452 HydrophobicContact CZ3-CG 3.77Å; K452-R484 PolarHBondContact O-NH2 2.89Å; K452-K486 PolarHBondContact N-O 2.92Å; K452-K486 VanDerWaalsContact N-O 3.08Å; K452-V490 HydrophobicContact CD-CG2 4.3Å; K452-L521 VanDerWaalsContact NZ-CB 3.27Å; K452-G522 PolarHBondContact NZ-O 3.06Å; K452-P523 WeakPolarHBondContact CE-O 3.37Å; K452-E525 VanDerWaalsContact CE-O 3.3Å; K452-E525 WeakPolarHBondContact CE-O 3.38Å; K452-E525 PolarHBondContact NZ-O 3.43Å
453E87.3Confident85.7Confident134 Ų13453.1 Ų53.163%0.62629%0.292SS*.PPolyproline II helixtrans-87.3135.5173.4-57.1-152.9129.200111.3K486E453-K486 IonicContact OE1-NZ 3.7Å; E453-K486 PolarHBondContact OE1-NZ 3.38Å
454L86.9Confident84.7Confident15 Ų1556.2 Ų56.28%0.07931%0.311CS..  trans-117.7153.7174.6-67.6176.7000109.7A456 V458 E459 L462 V490L454-A456 PolarHBondContact O-N 3.03Å; L454-V458 HydrophobicContact CB-CB 4.46Å; L454-V458 HydrophobicContact CD1-CG1 4.18Å; L454-E459 HydrophobicContact CB-CG 3.76Å; L454-L462 HydrophobicContact CD1-CD1 3.73Å; L454-V490 HydrophobicContact CD1-CG1 4.09Å; L454-V490 HydrophobicContact CD1-CG2 3.93Å
455P87.1Confident83.2Confident58 Ų5865.3 Ų65.338%0.37734%0.341SS..  trans-58139.5171.9-21.732.2000111.1N457 V458 E459P455-N457 PolarHBondContact O-N 3.24Å; P455-V458 HydrophobicContact CB-CG2 4.24Å; P455-V458 HydrophobicContact CG-CG2 4.28Å; P455-V458 WeakPolarHBondContact O-CA 3.36Å; P455-V458 WeakPolarHBondContact O-CB 3.43Å; P455-V458 PolarHBondContact O-N 2.8Å; P455-E459 PolarHBondContact O-N 2.81Å
456A83.4Confident82.1Confident76 Ų7667.1 Ų67.163%0.62835%0.345SS*.Hα-helixtrans-53.2-33-175.600000114.2L454 V458 E459 A460L454-A456 PolarHBondContact O-N 3.03Å; A456-V458 VanDerWaalsContact C-N 3.33Å; A456-V458 PolarHBondContact O-N 3.45Å; A456-E459 PolarHBondContact O-N 3.4Å; A456-A460 WeakPolarHBondContact O-CB 3.49Å; A456-A460 PolarHBondContact O-N 3.32Å
457N82.4Confident80.7Confident79 Ų7969.1 Ų69.142%0.42236%0.356SS..Hα-helixtrans-62.4-39.1174.7-66.8-40000112.3P455 L461 I529 K544P455-N457 PolarHBondContact O-N 3.24Å; N457-L461 WeakPolarHBondContact O-CD1 3.31Å; N457-L461 WeakPolarHBondContact O-CG 3.28Å; N457-L461 PolarHBondContact O-N 2.98Å; N457-I529 HydrophobicContact CB-CD1 4.07Å; N457-K544 PolarHBondContact OD1-NZ 3.23Å
458V84.8Confident79.3Confident4 Ų470.3 Ų70.32%0.02437%0.366CS..Hα-helixtrans-72.3-42.2179.1-175.80000110L454 P455 A456 A460 L461 L462 F527 I529 I546L454-V458 HydrophobicContact CB-CB 4.46Å; L454-V458 HydrophobicContact CD1-CG1 4.18Å; P455-V458 HydrophobicContact CB-CG2 4.24Å; P455-V458 HydrophobicContact CG-CG2 4.28Å; P455-V458 WeakPolarHBondContact O-CA 3.36Å; P455-V458 WeakPolarHBondContact O-CB 3.43Å; P455-V458 PolarHBondContact O-N 2.8Å; A456-V458 VanDerWaalsContact C-N 3.33Å; A456-V458 PolarHBondContact O-N 3.45Å; V458-A460 VanDerWaalsContact C-N 3.34Å; V458-A460 PolarHBondContact O-N 2.99Å; V458-L461 PolarHBondContact O-N 3.5Å; V458-L462 HydrophobicContact CG1-CD1 3.88Å; V458-L462 HydrophobicContact CG1-CG 4.19Å; V458-L462 WeakPolarHBondContact O-CB 3.5Å; V458-L462 WeakPolarHBondContact O-CG 2.95Å; V458-L462 PolarHBondContact O-N 2.89Å; V458-F527 HydrophobicContact CG1-CD2 4.03Å; V458-I529 HydrophobicContact CG2-CD1 3.44Å; V458-I529 VanDerWaalsContact CG2-CD1 3.44Å; V458-I529 HydrophobicContact CG2-CG1 3.75Å; V458-I546 HydrophobicContact CG1-CD1 4.22Å
459E83.2Confident77.8Confident65 Ų6571.8 Ų71.830%0.30438%0.376SS..Hα-helixtrans-60.7-43.6178-64.1-169.6153.200111.7L454 P455 A456 L461 L462 A463L454-E459 HydrophobicContact CB-CG 3.76Å; P455-E459 PolarHBondContact O-N 2.81Å; A456-E459 PolarHBondContact O-N 3.4Å; E459-L461 VanDerWaalsContact C-N 3.33Å; E459-L461 PolarHBondContact O-N 3.03Å; E459-L462 PolarHBondContact O-N 3.33Å; E459-A463 VanDerWaalsContact O-CB 3.29Å; E459-A463 WeakPolarHBondContact O-CB 3.49Å; E459-A463 PolarHBondContact O-N 2.85Å
460A80.6Confident76Confident57 Ų5771.7 Ų71.747%0.47139%0.385SS..Hα-helixtrans-61.2-41.117500000112.4A456 V458 T464A456-A460 WeakPolarHBondContact O-CB 3.49Å; A456-A460 PolarHBondContact O-N 3.32Å; V458-A460 VanDerWaalsContact C-N 3.34Å; V458-A460 PolarHBondContact O-N 2.99Å; A460-T464 PolarHBondContact O-N 3.13Å; A460-T464 PolarHBondContact O-OG1 3Å
461L79.3Confident74.2Confident45 Ų4571.4 Ų71.424%0.23639%0.388CS..Hα-helixtrans-70.7-34.8178.9-70.6172.1000112.6N457 V458 E459 I529 K544 I546N457-L461 WeakPolarHBondContact O-CD1 3.31Å; N457-L461 WeakPolarHBondContact O-CG 3.28Å; N457-L461 PolarHBondContact O-N 2.98Å; V458-L461 PolarHBondContact O-N 3.5Å; E459-L461 VanDerWaalsContact C-N 3.33Å; E459-L461 PolarHBondContact O-N 3.03Å; L461-I529 HydrophobicContact CD1-CG2 4.48Å; L461-K544 HydrophobicContact CD1-CB 4.15Å; L461-K544 WeakPolarHBondContact CD2-O 3.38Å; L461-I546 HydrophobicContact CB-CD1 3.61Å; L461-I546 HydrophobicContact CB-CG1 3.93Å; L461-I546 HydrophobicContact CD1-CG1 3.96Å
462L81.2Confident72.6Confident34 Ų3471.9 Ų71.918%0.17839%0.386CS..Hα-helixtrans-74.3-34.5175.1-69.9174.3000112.7L454 V458 E459 T464 V490 F492 F527 I546L454-L462 HydrophobicContact CD1-CD1 3.73Å; V458-L462 HydrophobicContact CG1-CD1 3.88Å; V458-L462 HydrophobicContact CG1-CG 4.19Å; V458-L462 WeakPolarHBondContact O-CB 3.5Å; V458-L462 WeakPolarHBondContact O-CG 2.95Å; V458-L462 PolarHBondContact O-N 2.89Å; E459-L462 PolarHBondContact O-N 3.33Å; L462-T464 PolarHBondContact O-N 3.31Å; L462-V490 HydrophobicContact CD1-CG1 3.68Å; L462-F492 HydrophobicContact CD2-CB 4.28Å; L462-F492 HydrophobicContact CD2-CD2 3.58Å; L462-F492 HydrophobicContact CD2-CE2 4.36Å; L462-F492 HydrophobicContact CD2-CG 4.28Å; L462-F527 HydrophobicContact CD1-CD2 4.49Å; L462-F527 HydrophobicContact CD1-CE2 4.27Å; L462-F527 HydrophobicContact CD2-CD2 4.45Å; L462-F527 HydrophobicContact CD2-CE2 3.98Å; L462-I546 HydrophobicContact CD2-CD1 3.65Å; L462-I546 HydrophobicContact CG-CD1 3.8Å
463A72.2Confident70.5Confident51 Ų5177.1 Ų77.142%0.42142%0.423SS..Hα-helixtrans-66.8-29.4175.400000111.7E459 R465E459-A463 VanDerWaalsContact O-CB 3.29Å; E459-A463 WeakPolarHBondContact O-CB 3.49Å; E459-A463 PolarHBondContact O-N 2.85Å; A463-R465 PolarHBondContact O-N 3.44Å
464T67.3Low68.5Low68 Ų6872.7 Ų72.742%0.41741%0.407SS..  trans-75.488.3175.5-53.50000109.3A460 L462 R466A460-T464 PolarHBondContact O-N 3.13Å; A460-T464 PolarHBondContact O-OG1 3Å; L462-T464 PolarHBondContact O-N 3.31Å; T464-R466 HydrophobicContact CG2-CB 3.9Å; T464-R466 VanDerWaalsContact CG2-CD 3.48Å; T464-R466 HydrophobicContact CG2-CG 3.53Å; T464-R466 PolarHBondContact O-N 2.79Å
465R56.4Low66.5Low245 Ų24580.3 Ų80.393%0.92544%0.442SS*.  trans-69.848172-66.7-171175.7-159.3-1.1112.5A463A463-R465 PolarHBondContact O-N 3.44Å
466R59.3Low64.6Low99 Ų9989 Ų8937%0.37447%0.467SS..  trans-91.9137.3174-73.1179-174.3-149.6-6109.2T464 P468 D471 S474 G477T464-R466 HydrophobicContact CG2-CB 3.9Å; T464-R466 VanDerWaalsContact CG2-CD 3.48Å; T464-R466 HydrophobicContact CG2-CG 3.53Å; T464-R466 PolarHBondContact O-N 2.79Å; R466-P468 VanDerWaalsContact O-CD 3.31Å; R466-P468 WeakPolarHBondContact O-CD 3.4Å; R466-D471 WeakPolarHBondContact CA-OD2 3.35Å; R466-D471 HydrophobicContact CB-CB 4.14Å; R466-D471 HydrophobicContact CG-CB 4.18Å; R466-S474 PolarHBondContact NH1-O 3.1Å; R466-S474 PolarHBondContact NH2-O 2.87Å; R466-G477 PolarHBondContact NH2-O 3.24Å
467D58Low62.4Low75 Ų7588.3 Ų88.340%0.40147%0.467SS..  trans-75.5117.5163.1-175.2-18.1000107.6L469 A470 D471D467-L469 PolarHBondContact O-N 2.77Å; D467-L469 WeakPolarHBondContact OD1-CB 3.42Å; D467-L469 PolarHBondContact OD1-N 3.06Å; D467-A470 HydrophobicContact CB-CB 3.95Å; D467-A470 PolarHBondContact O-N 3.47Å; D467-D471 PolarHBondContact N-OD2 3.26Å; D467-D471 PolarHBondContact O-N 2.67Å; D467-D471 VanDerWaalsContact O-N 3.1Å
468P60.4Low60.3Low46 Ų4687.6 Ų87.630%0.29948%0.478SS..THydrogen-bonded Turntrans-57.6-19.3-180-24.736.1000114.1R466 R472 P495 L549R466-P468 VanDerWaalsContact O-CD 3.31Å; R466-P468 WeakPolarHBondContact O-CD 3.4Å; P468-R472 PolarHBondContact O-NE 2.89Å; P468-P495 HydrophobicContact CG-CG 3.94Å; P468-L549 HydrophobicContact CB-CD2 4.3Å
469L58.2Low58.4Low110 Ų11097.1 Ų97.158%0.57652%0.523SS*.THydrogen-bonded Turntrans-92-42.3179-161.468.6000112.5D467D467-L469 PolarHBondContact O-N 2.77Å; D467-L469 WeakPolarHBondContact OD1-CB 3.42Å; D467-L469 PolarHBondContact OD1-N 3.06Å
470A52.6Low56.7Low67 Ų67101.5 Ų101.555%0.55455%0.548SS*.THydrogen-bonded Turntrans-85.1-32.5-173.200000114.2D467 R472D467-A470 HydrophobicContact CB-CB 3.95Å; D467-A470 PolarHBondContact O-N 3.47Å; A470-R472 PolarHBondContact O-N 3.18Å
471D56Low55.4Low64 Ų64100.7 Ų100.734%0.34255%0.545SS..  trans-99.123.3-167.3-72.1-40.8000114.9R466 D467 S473 S474R466-D471 WeakPolarHBondContact CA-OD2 3.35Å; R466-D471 HydrophobicContact CB-CB 4.14Å; R466-D471 HydrophobicContact CG-CB 4.18Å; D467-D471 PolarHBondContact N-OD2 3.26Å; D467-D471 PolarHBondContact O-N 2.67Å; D467-D471 VanDerWaalsContact O-N 3.1Å; D471-S473 PolarHBondContact O-N 3.12Å; D471-S474 PolarHBondContact O-N 3.46Å; D471-S474 PolarHBondContact O-OG 3.18Å; D471-S474 VanDerWaalsContact O-OG 3.12Å
472R58.3Low54.6Low113 Ų113109.5 Ų109.543%0.42658%0.575SS.*THydrogen-bonded Turntrans-64.9-21.1-175.9-69.9-179.8168.4-161.6-7.6114.5P468 A470 D553P468-R472 PolarHBondContact O-NE 2.89Å; A470-R472 PolarHBondContact O-N 3.18Å; R472-D553 IonicContact CZ-OD1 2.88Å; R472-D553 IonicContact CZ-OD2 3.21Å; R472-D553 VanDerWaalsContact CZ-OD2 3.3Å; R472-D553 IonicContact NH1-OD1 3.07Å; R472-D553 PolarHBondContact NH1-OD1 3.02Å; R472-D553 IonicContact NH1-OD2 2.72Å; R472-D553 PolarHBondContact NH1-OD2 3.33Å; R472-D553 IonicContact NH2-OD1 3.02Å; R472-D553 IonicContact NH2-OD2 2.91Å; R472-D553 PolarHBondContact NH2-OD2 2.86Å
473S45.3Very low53.9Low115 Ų115113.9 Ų113.980%0.80461%0.606SS**THydrogen-bonded Turntrans-96.2-9.2-174.751.90000114.7D471 H475D471-S473 PolarHBondContact O-N 3.12Å; S473-H475 PolarHBondContact O-N 2.95Å
474S45.7Very low54.4Low41 Ų41115 Ų11529%0.28760%0.599SS.*  trans-97.180.2-176.253.80000111.9R466 D471 R476R466-S474 PolarHBondContact NH1-O 3.1Å; R466-S474 PolarHBondContact NH2-O 2.87Å; D471-S474 PolarHBondContact O-N 3.46Å; D471-S474 PolarHBondContact O-OG 3.18Å; D471-S474 VanDerWaalsContact O-OG 3.12Å; S474-R476 PolarHBondContact O-N 3.37Å
475H45.2Very low55.2Low175 Ų175115.4 Ų115.481%0.8160%0.599SS**  trans-76.34.3175.5-87.811.7000115.1S473S473-H475 PolarHBondContact O-N 2.95Å
476R46.3Very low56.7Low241 Ų241106.9 Ų106.991%0.90957%0.568SS**SBendtrans-144.5123.3173.7-67.4-172.6-178.1-1670.3110.1S474S474-R476 PolarHBondContact O-N 3.37Å
477G38.4Very low58.1Low60 Ų60103.1 Ų103.162%0.61956%0.556SS**  trans149.6116.916600000114.7R466R466-G477 PolarHBondContact NH2-O 3.24Å
478G38.9Very low59.7Low65 Ų65103.6 Ų103.667%0.6755%0.553SS**  trans98.881.4145.900000117.3D480G478-D480 PolarHBondContact O-N 2.73Å
479E43.8Very low61.1Low204 Ų204101.9 Ų101.995%0.95354%0.541SS*.  trans-70.144.4154.6-69.5-177.515200111G481E479-G481 VanDerWaalsContact C-N 3.3Å; E479-G481 PolarHBondContact O-N 3.32Å
480D47Very low62.7Low157 Ų15796.9 Ų96.984%0.8452%0.515SS*.  trans-99.437.1179.4-84.8-29.6000111.3G478 R482G478-D480 PolarHBondContact O-N 2.73Å; D480-R482 PolarHBondContact O-N 3.38Å
481G54.2Low64.4Low40 Ų4096.6 Ų96.641%0.41251%0.507SS..  trans-82.7102.4167.700000109.1E479E479-G481 VanDerWaalsContact C-N 3.3Å; E479-G481 PolarHBondContact O-N 3.32Å
482R61.2Low65.9Low230 Ų23095.2 Ų95.287%0.86850%0.498SS*.PPolyproline II helixtrans-51.9137.1164.8-70.8-177-177.3175.90.8108.5D480 R484D480-R482 PolarHBondContact O-N 3.38Å; R482-R484 PolarHBondContact O-N 2.89Å
483P67.7Low67.3Low126 Ų12699.4 Ų99.482%0.81851%0.514SS*.PPolyproline II helixtrans-55.5132.3178.622.5-32000109.5D485P483-D485 PolarHBondContact O-N 3.15Å
484R81.8Confident69.3Low74 Ų7494.1 Ų94.128%0.27948%0.476SS..PPolyproline II helixtrans-63.3131.7-179.3-172.2-173.486.283.6-9.8109.1K452 R482 K486 R488 V490K452-R484 PolarHBondContact O-NH2 2.89Å; R482-R484 PolarHBondContact O-N 2.89Å; R484-K486 PolarHBondContact NH2-O 3.2Å; R484-K486 PolarHBondContact O-N 3.46Å; R484-K486 VanDerWaalsContact O-N 3.13Å; R484-R488 PolarHBondContact NH1-O 3.44Å; R484-V490 VanDerWaalsContact NH1-CG2 3.32Å
485D84.3Confident71.3Confident76 Ų7693.2 Ų93.241%0.40647%0.469SS..  trans-66.1111163.8-176.6-10.4000108.9P483 T487 R488P483-D485 PolarHBondContact O-N 3.15Å; D485-T487 PolarHBondContact O-N 3Å; D485-T487 PolarHBondContact OD1-N 3.21Å; D485-T487 PolarHBondContact OD1-OG1 3.48Å; D485-T487 PolarHBondContact OD2-OG1 3.5Å; D485-R488 HydrophobicContact CB-CB 4.4Å; D485-R488 HydrophobicContact CB-CG 4.24Å; D485-R488 PolarHBondContact O-N 2.9Å; D485-R488 IonicContact OD2-NE 3.42Å
486K88.4Confident73.1Confident66 Ų6691.4 Ų91.429%0.28746%0.461SS..THydrogen-bonded Turntrans-67.5-24-175.1-70.4-175.3175.8-174.60113.1E451 K452 E453 R484E451-K486 HydrophobicContact CB-CB 3.86Å; E451-K486 HydrophobicContact CB-CD 4.34Å; E451-K486 HydrophobicContact CG-CB 3.92Å; E451-K486 WeakPolarHBondContact OE2-CD 3.39Å; K452-K486 PolarHBondContact N-O 2.92Å; K452-K486 VanDerWaalsContact N-O 3.08Å; E453-K486 IonicContact OE1-NZ 3.7Å; E453-K486 PolarHBondContact OE1-NZ 3.38Å; R484-K486 PolarHBondContact NH2-O 3.2Å; R484-K486 PolarHBondContact O-N 3.46Å; R484-K486 VanDerWaalsContact O-N 3.13Å
487T89.5Confident75.1Confident20 Ų2084.5 Ų84.512%0.12344%0.442CS..THydrogen-bonded Turntrans-80.2-22.6-177.468.60000112.8I423 Y424 L449 E451 D485I423-T487 WeakPolarHBondContact CA-O 3.41Å; Y424-T487 WeakPolarHBondContact CD2-O 3.39Å; Y424-T487 PolarHBondContact N-O 2.86Å; L449-T487 HydrophobicContact CB-CG2 3.91Å; E451-T487 HydrophobicContact CG-CG2 3.87Å; D485-T487 PolarHBondContact O-N 3Å; D485-T487 PolarHBondContact OD1-N 3.21Å; D485-T487 PolarHBondContact OD1-OG1 3.48Å; D485-T487 PolarHBondContact OD2-OG1 3.5Å
488R89.6Confident77.5Confident86 Ų8681.7 Ų81.733%0.32541%0.413SS..BIsolated β-bridgetrans-76.3144.8175.6-74.2-178.7171.7-113.6-6111.7E421 G422 I423 Y424 R484 D485 V490E421-R488 VanDerWaalsContact CD-NH1 3.28Å; E421-R488 IonicContact OE1-NH1 2.94Å; E421-R488 PolarHBondContact OE1-NH1 3.49Å; E421-R488 IonicContact OE2-CZ 2.85Å; E421-R488 IonicContact OE2-NH1 3.23Å; E421-R488 PolarHBondContact OE2-NH1 3.44Å; G422-R488 CarbonylContact O-C 3.57Å; G422-R488 WeakPolarHBondContact O-CA 3.5Å; I423-R488 HydrophobicContact CG2-CG 4.39Å; Y424-R488 VanDerWaalsContact CE2-O 3.31Å; Y424-R488 WeakPolarHBondContact CE2-O 3.44Å; R484-R488 PolarHBondContact NH1-O 3.44Å; D485-R488 HydrophobicContact CB-CB 4.4Å; D485-R488 HydrophobicContact CB-CG 4.24Å; D485-R488 PolarHBondContact O-N 2.9Å; D485-R488 IonicContact OD2-NE 3.42Å; R488-V490 PolarHBondContact O-N 3.35Å
489V91.1Very high80Confident10 Ų1078.6 Ų78.66%0.06138%0.381CS..  trans-56.9133.8174171.70000109G422 Y424 A435 I437 T491 M520G422-V489 VanDerWaalsContact C-CG2 3.41Å; G422-V489 PolarHBondContact O-N 3.5Å; Y424-V489 HydrophobicContact CD1-CG2 4.22Å; Y424-V489 HydrophobicContact CE1-CG2 4Å; Y424-V489 HydrophobicContact CE2-CG2 4.45Å; A435-V489 HydrophobicContact CB-CG2 3.79Å; I437-V489 HydrophobicContact CG1-CG2 4.48Å; V489-T491 HydrophobicContact CG1-CG2 4.35Å; V489-T491 PolarHBondContact O-N 2.89Å; V489-M520 HydrophobicContact CG1-CB 4.01Å
490V90.7Very high82.3Confident4 Ų468.9 Ų68.92%0.02434%0.336CS..  trans-80.8115.6-176.9177.70000107.1Y424 K452 L454 L462 R484 R488 L521 F527Y424-V490 HydrophobicContact CE2-CG2 4.49Å; Y424-V490 PolarHBondContact OH-N 3.45Å; K452-V490 HydrophobicContact CD-CG2 4.3Å; L454-V490 HydrophobicContact CD1-CG1 4.09Å; L454-V490 HydrophobicContact CD1-CG2 3.93Å; L462-V490 HydrophobicContact CD1-CG1 3.68Å; R484-V490 VanDerWaalsContact NH1-CG2 3.32Å; R488-V490 PolarHBondContact O-N 3.35Å; V490-L521 HydrophobicContact CB-CB 4.25Å; V490-L521 HydrophobicContact CB-CD1 3.97Å; V490-L521 HydrophobicContact CB-CG 4.24Å; V490-L521 HydrophobicContact CG1-CD1 3.87Å; V490-L521 HydrophobicContact CG1-CG 4.34Å; V490-L521 PolarHBondContact O-N 2.99Å; V490-F527 HydrophobicContact CG1-CE2 3.89Å
491T88.8Confident84.4Confident61 Ų6162.8 Ų62.837%0.37430%0.302SS..EExtended strand (participates in β ladder)trans-111.8141178.966.80000110.9V489 V519 M520V489-T491 HydrophobicContact CG1-CG2 4.35Å; V489-T491 PolarHBondContact O-N 2.89Å; T491-V519 CarbonylContact C-O 3.56Å; T491-V519 VanDerWaalsContact CA-O 3.26Å; T491-V519 WeakPolarHBondContact CA-O 3.28Å; T491-M520 HydrophobicContact CG2-CG 3.86Å
492F88.2Confident86.2Confident35 Ų3560.9 Ų60.915%0.15428%0.283CS..EExtended strand (participates in β ladder)trans-137.9122.1175.6-176.6-101.8000109.8L462 V494 V500 V519 F527 I546 C547L462-F492 HydrophobicContact CD2-CB 4.28Å; L462-F492 HydrophobicContact CD2-CD2 3.58Å; L462-F492 HydrophobicContact CD2-CE2 4.36Å; L462-F492 HydrophobicContact CD2-CG 4.28Å; F492-V494 HydrophobicContact CD1-CG2 4.2Å; F492-V494 HydrophobicContact CE1-CG2 4.5Å; F492-V494 PolarHBondContact O-N 2.99Å; F492-V500 HydrophobicContact CD1-CG2 3.88Å; F492-V500 HydrophobicContact CE1-CG2 3.62Å; F492-V519 PolarHBondContact N-O 3.04Å; F492-V519 PolarHBondContact O-N 3.11Å; F492-F527 HydrophobicContact CB-CE1 4.06Å; F492-F527 HydrophobicContact CB-CE2 4.05Å; F492-F527 HydrophobicContact CB-CZ 3.4Å; F492-F527 VanDerWaalsContact CB-CZ 3.4Å; F492-F527 HydrophobicContact CG-CZ 4.21Å; F492-I546 HydrophobicContact CD1-CG2 4.26Å; F492-I546 HydrophobicContact CE1-CG2 4.09Å; F492-I546 HydrophobicContact CE2-CG2 4.46Å; F492-I546 HydrophobicContact CZ-CB 4.32Å; F492-I546 HydrophobicContact CZ-CG2 4.18Å; F492-C547 HydrophobicContact CE1-CB 4.14Å; F492-C547 HydrophobicContact CZ-CB 4.39Å
493R87.2Confident87.5Confident202 Ų20253.7 Ų53.776%0.76226%0.256SS*.EExtended strand (participates in β ladder)trans-80.4112.8175.2-71.3179.6-177.7177.5-0.1108.3P495 L518R493-P495 WeakPolarHBondContact O-CD 3.45Å; R493-L518 HydrophobicContact CB-CD1 4.32Å; R493-L518 HydrophobicContact CG-CD1 3.35Å
494V88.4Confident88.6Confident4 Ų448.7 Ų48.72%0.02422%0.223CC..PPolyproline II helixtrans-73.3123.1177.8-174.30000108.4F492 A498 V500 P516 E517 V519F492-V494 HydrophobicContact CD1-CG2 4.2Å; F492-V494 HydrophobicContact CE1-CG2 4.5Å; F492-V494 PolarHBondContact O-N 2.99Å; V494-A498 HydrophobicContact CG1-CB 4.01Å; V494-A498 WeakPolarHBondContact CG1-O 3.4Å; V494-V500 HydrophobicContact CB-CG2 4.46Å; V494-V500 HydrophobicContact CG1-CG2 4.06Å; V494-V500 HydrophobicContact CG2-CB 4.08Å; V494-V500 HydrophobicContact CG2-CG2 3.73Å; V494-P516 WeakPolarHBondContact O-CA 3.33Å; V494-E517 WeakPolarHBondContact CB-O 3.35Å; V494-E517 PolarHBondContact N-O 3.2Å; V494-E517 VanDerWaalsContact N-O 3.07Å; V494-V519 HydrophobicContact CG2-CG2 3.63Å
495P86.8Confident88.7Confident21 Ų2151.5 Ų51.514%0.13623%0.234CC..PPolyproline II helixtrans-60.7159.6178.1-23.133.2000112.7P468 R493 A498 G515P468-P495 HydrophobicContact CG-CG 3.94Å; R493-P495 WeakPolarHBondContact O-CD 3.45Å; P495-A498 HydrophobicContact CB-CB 4.1Å; P495-A498 HydrophobicContact CG-CB 4.38Å; P495-A498 VanDerWaalsContact O-CB 3.32Å; P495-A498 WeakPolarHBondContact O-CB 3.39Å; P495-A498 PolarHBondContact O-N 3.39Å; P495-G515 WeakPolarHBondContact O-CA 3.46Å
496H83.8Confident88.8Confident137 Ų13755.2 Ų55.263%0.63424%0.242SC*.THydrogen-bonded Turntrans-57.5143.5170.9-66.884.2000110.6A498H496-A498 PolarHBondContact O-N 3.2Å
497N86.7Confident88.7Confident96 Ų9656.8 Ų56.851%0.51325%0.251SS..THydrogen-bonded Turntrans5235.7-174.9-67.1-5.3000113.5L550 G551N497-L550 WeakPolarHBondContact O-CB 3.44Å; N497-L550 PolarHBondContact O-N 2.85Å; N497-G551 PolarHBondContact ND2-O 3.1Å
498A89.9Confident88.5Confident1 Ų163.5 Ų63.51%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-126.9159.3172.300000111V494 P495 H496 G515 C547 L548 L549V494-A498 HydrophobicContact CG1-CB 4.01Å; V494-A498 WeakPolarHBondContact CG1-O 3.4Å; P495-A498 HydrophobicContact CB-CB 4.1Å; P495-A498 HydrophobicContact CG-CB 4.38Å; P495-A498 VanDerWaalsContact O-CB 3.32Å; P495-A498 WeakPolarHBondContact O-CB 3.39Å; P495-A498 PolarHBondContact O-N 3.39Å; H496-A498 PolarHBondContact O-N 3.2Å; A498-G515 PolarHBondContact O-N 2.92Å; A498-C547 HydrophobicContact CB-CB 4.17Å; A498-L548 CarbonylContact C-O 3.58Å; A498-L548 WeakPolarHBondContact CA-O 3.41Å; A498-L548 WeakPolarHBondContact CB-O 3.41Å; A498-L549 HydrophobicContact CB-CD2 4.08Å
499A90.5Very high88.3Confident0 Ų065.6 Ų65.60%029%0.29CS..EExtended strand (participates in β ladder)trans-129.4145.4172.500000109.7V512 V513 F514 C547 L548 L550 F594A499-V512 HydrophobicContact CB-CG1 3.97Å; A499-V513 CarbonylContact C-O 3.53Å; A499-V513 WeakPolarHBondContact CA-O 3.32Å; A499-F514 HydrophobicContact CB-CD1 3.89Å; A499-F514 HydrophobicContact CB-CE1 3.93Å; A499-C547 CarbonylContact O-C 3.56Å; A499-C547 WeakPolarHBondContact O-CA 3.46Å; A499-L548 PolarHBondContact N-O 2.89Å; A499-L548 PolarHBondContact O-N 3.16Å; A499-L550 HydrophobicContact CB-CD2 4.25Å; A499-F594 HydrophobicContact CB-CE2 4.08Å; A499-F594 HydrophobicContact CB-CZ 4.06Å
500V91.7Very high88.2Confident0 Ų067.7 Ų67.70%031%0.308CS..EExtended strand (participates in β ladder)trans-122.8136173173.10000108.7F492 V494 V502 V512 V513 F527 I546 C547F492-V500 HydrophobicContact CD1-CG2 3.88Å; F492-V500 HydrophobicContact CE1-CG2 3.62Å; V494-V500 HydrophobicContact CB-CG2 4.46Å; V494-V500 HydrophobicContact CG1-CG2 4.06Å; V494-V500 HydrophobicContact CG2-CB 4.08Å; V494-V500 HydrophobicContact CG2-CG2 3.73Å; V500-V502 HydrophobicContact CG1-CG2 4.29Å; V500-V512 CarbonylContact O-C 3.53Å; V500-V512 WeakPolarHBondContact O-CA 3.45Å; V500-V513 PolarHBondContact N-O 3Å; V500-V513 PolarHBondContact O-N 3.4Å; V500-F527 HydrophobicContact CG1-CD1 3.48Å; V500-F527 VanDerWaalsContact CG1-CD1 3.48Å; V500-F527 HydrophobicContact CG1-CE1 3.74Å; V500-I546 HydrophobicContact CG1-CG2 4.16Å; V500-I546 HydrophobicContact CG2-CG2 4.36Å; V500-C547 HydrophobicContact CG2-CB 3.61Å
501Q91.3Very high88.1Confident29 Ų2973.1 Ų73.114%0.13633%0.328CS..EExtended strand (participates in β ladder)trans-100.1123.1172.9-175.6178.147.800110A510 V512 T528 F594Q501-A510 HydrophobicContact CG-CB 4.3Å; Q501-V512 HydrophobicContact CB-CG2 4.26Å; Q501-V512 HydrophobicContact CG-CG2 4.19Å; Q501-T528 PolarHBondContact O-N 3.4Å; Q501-T528 PolarHBondContact O-OG1 3.43Å; Q501-F594 HydrophobicContact CB-CD1 3.76Å; Q501-F594 HydrophobicContact CB-CD2 4.04Å; Q501-F594 HydrophobicContact CB-CE1 3.72Å; Q501-F594 HydrophobicContact CB-CE2 4.02Å; Q501-F594 HydrophobicContact CB-CG 3.93Å; Q501-F594 HydrophobicContact CB-CZ 3.86Å; Q501-F594 HydrophobicContact CG-CG 4.47Å
502V91.9Very high88.2Confident0 Ų071.7 Ų71.70%032%0.319CS..EExtended strand (participates in β ladder)trans-108.8130.2174.7-1790000108.6V500 A510 R511 V519 L521 E525 Q526 F527V500-V502 HydrophobicContact CG1-CG2 4.29Å; V502-A510 CarbonylContact O-C 3.57Å; V502-A510 WeakPolarHBondContact O-CA 3.44Å; V502-R511 HydrophobicContact CB-CG 4.08Å; V502-R511 PolarHBondContact N-O 3.27Å; V502-R511 PolarHBondContact O-N 3.18Å; V502-V519 HydrophobicContact CG2-CG1 3.69Å; V502-L521 HydrophobicContact CB-CD2 4.42Å; V502-L521 HydrophobicContact CG1-CD2 3.57Å; V502-L521 HydrophobicContact CG2-CD2 3.93Å; V502-E525 HydrophobicContact CG1-CB 3.71Å; V502-E525 HydrophobicContact CG1-CG 4.07Å; V502-Q526 WeakPolarHBondContact CA-O 2.98Å; V502-F527 HydrophobicContact CG2-CD1 4.09Å; V502-F527 HydrophobicContact CG2-CE1 4.08Å
503Y89.8Confident88.3Confident80 Ų8070.8 Ų70.831%0.31432%0.316SS..EExtended strand (participates in β ladder)trans-110.3120.5177.4-170.1-94.3000110Y505 A510 E525 Q526Y503-Y505 HydrophobicContact CD1-CD1 4.18Å; Y503-Y505 AromaticContact CD1-CD2 3.87Å; Y503-Y505 HydrophobicContact CD1-CD2 3.87Å; Y503-Y505 HydrophobicContact CD1-CE1 4.18Å; Y503-Y505 AromaticContact CD1-CE2 3.87Å; Y503-Y505 HydrophobicContact CD1-CE2 3.87Å; Y503-Y505 HydrophobicContact CD1-CG 4.04Å; Y503-Y505 AromaticContact CE1-CD1 3.97Å; Y503-Y505 HydrophobicContact CE1-CD1 3.97Å; Y503-Y505 HydrophobicContact CE1-CD2 4.43Å; Y503-Y505 HydrophobicContact CE1-CE1 4.15Å; Y503-Y505 HydrophobicContact CE1-CG 4.13Å; Y503-A510 HydrophobicContact CD2-CB 4Å; Y503-E525 CarbonylContact O-C 3.58Å; Y503-E525 WeakPolarHBondContact O-CA 3.41Å; Y503-Q526 PolarHBondContact N-O 3.16Å; Y503-Q526 PolarHBondContact O-N 3.33Å
504D89.6Confident88.4Confident21 Ų2162.6 Ų62.611%0.11229%0.286CS..EExtended strand (participates in β ladder)trans-86.8115.9171.2-173.3-29.4000109.3R506 E507 K508 K509 E525D504-R506 WeakPolarHBondContact OD1-CA 3.42Å; D504-R506 WeakPolarHBondContact OD1-CB 3.41Å; D504-R506 PolarHBondContact OD1-N 3.28Å; D504-E507 HydrophobicContact CB-CB 4.3Å; D504-E507 PolarHBondContact OD1-N 3.37Å; D504-K508 WeakPolarHBondContact O-CA 3.31Å; D504-K508 PolarHBondContact O-N 2.86Å; D504-K509 PolarHBondContact N-O 3Å; D504-K509 PolarHBondContact O-N 2.95Å; D504-E525 HydrophobicContact CB-CG 4.02Å
505Y85.5Confident88.2Confident132 Ų13263.3 Ų63.352%0.51829%0.294SS..THydrogen-bonded Turntrans-75.1-25.9179.9-78.8-91.5000113.6Y503 D524 Q526Y503-Y505 HydrophobicContact CD1-CD1 4.18Å; Y503-Y505 AromaticContact CD1-CD2 3.87Å; Y503-Y505 HydrophobicContact CD1-CD2 3.87Å; Y503-Y505 HydrophobicContact CD1-CE1 4.18Å; Y503-Y505 AromaticContact CD1-CE2 3.87Å; Y503-Y505 HydrophobicContact CD1-CE2 3.87Å; Y503-Y505 HydrophobicContact CD1-CG 4.04Å; Y503-Y505 AromaticContact CE1-CD1 3.97Å; Y503-Y505 HydrophobicContact CE1-CD1 3.97Å; Y503-Y505 HydrophobicContact CE1-CD2 4.43Å; Y503-Y505 HydrophobicContact CE1-CE1 4.15Å; Y503-Y505 HydrophobicContact CE1-CG 4.13Å; Y505-D524 WeakPolarHBondContact CD2-O 3.28Å; Y505-D524 PolarHBondContact N-O 3.18Å; Y505-Q526 HydrophobicContact CD2-CG 4.08Å; Y505-Q526 HydrophobicContact CE2-CB 3.87Å; Y505-Q526 VanDerWaalsContact CE2-CD 3.46Å; Y505-Q526 HydrophobicContact CE2-CG 3.63Å; Y505-Q526 PolarHBondContact OH-OE1 2.84Å
506R86.1Confident88.2Confident154 Ų15466.6 Ų66.658%0.58132%0.316SS*.THydrogen-bonded Turntrans-78.2-46.2179.4-170.6177.370.8-160.98.1110.7D504 D524D504-R506 WeakPolarHBondContact OD1-CA 3.42Å; D504-R506 WeakPolarHBondContact OD1-CB 3.41Å; D504-R506 PolarHBondContact OD1-N 3.28Å; R506-D524 HydrophobicContact CB-CB 3.8Å; R506-D524 WeakPolarHBondContact CD-OD2 3.46Å; R506-D524 IonicContact CZ-OD2 2.87Å; R506-D524 IonicContact NE-OD2 3.72Å; R506-D524 IonicContact NH1-OD2 3.54Å; R506-D524 PolarHBondContact NH1-OD2 3.24Å
507E85.4Confident88.3Confident100 Ų10066 Ų6647%0.46731%0.314SS..THydrogen-bonded Turntrans-84.7-14.1177.1-67.7-159.9-170.200114.1D504 K509D504-E507 HydrophobicContact CB-CB 4.3Å; D504-E507 PolarHBondContact OD1-N 3.37Å; E507-K509 VanDerWaalsContact C-N 3.25Å; E507-K509 HydrophobicContact CB-CB 4.49Å; E507-K509 HydrophobicContact CB-CD 4.36Å; E507-K509 HydrophobicContact CB-CG 4.36Å; E507-K509 PolarHBondContact O-N 2.93Å; E507-K509 IonicContact OE2-NZ 3.2Å; E507-K509 PolarHBondContact OE2-NZ 3.19Å
508K85.9Confident88.4Confident161 Ų16163.4 Ų63.470%0.730%0.299SS*.THydrogen-bonded Turntrans55.338.2-173.9-57.4-179.7-179.5178.20112.9D504D504-K508 WeakPolarHBondContact O-CA 3.31Å; D504-K508 PolarHBondContact O-N 2.86Å
509K86.1Confident88.4Confident129 Ų12963.6 Ų63.656%0.56130%0.301SS*.EExtended strand (participates in β ladder)trans-118.7137.8179.4-69.8176.9-166.8153.70110.2D504 E507D504-K509 PolarHBondContact N-O 3Å; D504-K509 PolarHBondContact O-N 2.95Å; E507-K509 VanDerWaalsContact C-N 3.25Å; E507-K509 HydrophobicContact CB-CB 4.49Å; E507-K509 HydrophobicContact CB-CD 4.36Å; E507-K509 HydrophobicContact CB-CG 4.36Å; E507-K509 PolarHBondContact O-N 2.93Å; E507-K509 IonicContact OE2-NZ 3.2Å; E507-K509 PolarHBondContact OE2-NZ 3.19Å
510A87Confident88.4Confident54 Ų5466.3 Ų66.345%0.44631%0.314SS..EExtended strand (participates in β ladder)trans-97.113116900000109.3Q501 V502 Y503Q501-A510 HydrophobicContact CG-CB 4.3Å; V502-A510 CarbonylContact O-C 3.57Å; V502-A510 WeakPolarHBondContact O-CA 3.44Å; Y503-A510 HydrophobicContact CD2-CB 4Å
511R89.7Confident88.4Confident119 Ų11966.4 Ų66.445%0.44931%0.314SS..EExtended strand (participates in β ladder)trans-117140.9168.363.4-179.5175.4146.93.1109.8V502 E525V502-R511 HydrophobicContact CB-CG 4.08Å; V502-R511 PolarHBondContact N-O 3.27Å; V502-R511 PolarHBondContact O-N 3.18Å; R511-E525 IonicContact CZ-OE1 3.8Å; R511-E525 IonicContact CZ-OE2 3.45Å; R511-E525 IonicContact NE-OE1 2.82Å; R511-E525 PolarHBondContact NE-OE1 3.07Å; R511-E525 VanDerWaalsContact NH2-CD 3.29Å; R511-E525 IonicContact NH2-OE1 3.07Å; R511-E525 PolarHBondContact NH2-OE1 3.38Å; R511-E525 IonicContact NH2-OE2 4Å; R511-E525 PolarHBondContact NH2-OE2 3.08Å
512V90.6Very high88.3Confident30 Ų3065.8 Ų65.818%0.18232%0.316CS..EExtended strand (participates in β ladder)trans-109127.3177.4176.80000107.8A499 V500 Q501 F514 A590 F594A499-V512 HydrophobicContact CB-CG1 3.97Å; V500-V512 CarbonylContact O-C 3.53Å; V500-V512 WeakPolarHBondContact O-CA 3.45Å; Q501-V512 HydrophobicContact CB-CG2 4.26Å; Q501-V512 HydrophobicContact CG-CG2 4.19Å; V512-F514 HydrophobicContact CG1-CE2 4.11Å; V512-F514 HydrophobicContact CG1-CZ 4.15Å; V512-A590 HydrophobicContact CB-CB 3.88Å; V512-A590 HydrophobicContact CG1-CB 4.12Å; V512-A590 HydrophobicContact CG2-CB 4.27Å; V512-F594 HydrophobicContact CB-CE2 4.5Å; V512-F594 HydrophobicContact CG1-CD2 4.47Å; V512-F594 HydrophobicContact CG1-CE2 3.71Å; V512-F594 HydrophobicContact CG2-CD2 3.95Å; V512-F594 HydrophobicContact CG2-CE2 3.94Å
513V90Very high88.2Confident16 Ų1666.8 Ų66.810%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-112.2130.1178.6-176.70000108.6A499 V500 E517 V519A499-V513 CarbonylContact C-O 3.53Å; A499-V513 WeakPolarHBondContact CA-O 3.32Å; V500-V513 PolarHBondContact N-O 3Å; V500-V513 PolarHBondContact O-N 3.4Å; V513-E517 HydrophobicContact CG1-CB 3.91Å; V513-E517 HydrophobicContact CG1-CG 4.22Å; V513-V519 HydrophobicContact CB-CG2 3.62Å; V513-V519 HydrophobicContact CG1-CG2 3.6Å; V513-V519 HydrophobicContact CG2-CG2 3.9Å
514F89.9Confident88.1Confident30 Ų3065.9 Ų65.913%0.13232%0.323CS..EExtended strand (participates in β ladder)trans-96142.9179.8-68.6-86000110.3A499 V512 E517 L550 V581 I583 A585 A590 L593A499-F514 HydrophobicContact CB-CD1 3.89Å; A499-F514 HydrophobicContact CB-CE1 3.93Å; V512-F514 HydrophobicContact CG1-CE2 4.11Å; V512-F514 HydrophobicContact CG1-CZ 4.15Å; F514-E517 WeakPolarHBondContact O-CB 3.28Å; F514-E517 PolarHBondContact O-N 3.07Å; F514-L550 HydrophobicContact CD1-CD1 3.86Å; F514-L550 HydrophobicContact CE1-CD1 3.95Å; F514-V581 HydrophobicContact CZ-CG1 4.49Å; F514-I583 HydrophobicContact CD1-CD1 4.27Å; F514-I583 HydrophobicContact CD1-CG1 4.44Å; F514-A585 HydrophobicContact CE2-CB 4.13Å; F514-A585 HydrophobicContact CZ-CB 4.09Å; F514-A590 HydrophobicContact CE2-CB 3.85Å; F514-A590 HydrophobicContact CZ-CB 3.87Å; F514-L593 HydrophobicContact CE1-CD1 3.8Å; F514-L593 HydrophobicContact CZ-CD1 3.95Å
515G84.8Confident88.2Confident19 Ų1965.7 Ų65.720%0.19632%0.321CS..THydrogen-bonded Turntrans-70.9154.1174.500000112.6P495 A498P495-G515 WeakPolarHBondContact O-CA 3.46Å; A498-G515 PolarHBondContact O-N 2.92Å
516P86.1Confident88.4Confident91 Ų9162.1 Ų62.159%0.59131%0.309SS*.THydrogen-bonded Turncis-97.246.310.638.5-36.6000114.8V494V494-P516 WeakPolarHBondContact O-CA 3.33Å
517E86.8Confident88.7Confident125 Ų12555.2 Ų55.258%0.58428%0.283SS*.PPolyproline II helixtrans-81.7150.6178.3-162.7174.2172.900113.1V494 V513 F514V494-E517 WeakPolarHBondContact CB-O 3.35Å; V494-E517 PolarHBondContact N-O 3.2Å; V494-E517 VanDerWaalsContact N-O 3.07Å; V513-E517 HydrophobicContact CG1-CB 3.91Å; V513-E517 HydrophobicContact CG1-CG 4.22Å; F514-E517 WeakPolarHBondContact O-CB 3.28Å; F514-E517 PolarHBondContact O-N 3.07Å
518L87.9Confident88.8Confident40 Ų4052.5 Ų52.521%0.20927%0.274CS..EExtended strand (participates in β ladder)trans-88.3121172.5-178.277.1000109.8N420 R493 M520N420-L518 HydrophobicContact CB-CD2 3.75Å; N420-L518 WeakPolarHBondContact OD1-CD2 3.43Å; R493-L518 HydrophobicContact CB-CD1 4.32Å; R493-L518 HydrophobicContact CG-CD1 3.35Å; L518-M520 HydrophobicContact CD2-CG 4.3Å
519V90.2Very high89Confident6 Ų647.7 Ų47.74%0.03626%0.255CS..EExtended strand (participates in β ladder)trans-90.8125.7174.5177.60000109.6T491 F492 V494 V502 V513 L521 F527T491-V519 CarbonylContact C-O 3.56Å; T491-V519 VanDerWaalsContact CA-O 3.26Å; T491-V519 WeakPolarHBondContact CA-O 3.28Å; F492-V519 PolarHBondContact N-O 3.04Å; F492-V519 PolarHBondContact O-N 3.11Å; V494-V519 HydrophobicContact CG2-CG2 3.63Å; V502-V519 HydrophobicContact CG2-CG1 3.69Å; V513-V519 HydrophobicContact CB-CG2 3.62Å; V513-V519 HydrophobicContact CG1-CG2 3.6Å; V513-V519 HydrophobicContact CG2-CG2 3.9Å; V519-L521 HydrophobicContact CG1-CD2 4.18Å; V519-F527 HydrophobicContact CB-CE1 4.43Å; V519-F527 HydrophobicContact CG1-CE1 3.9Å; V519-F527 HydrophobicContact CG1-CZ 4.33Å
520M90.3Very high89.1Confident57 Ų5741.9 Ų41.928%0.28123%0.23SC..EExtended strand (participates in β ladder)trans-110.1120.7169.9-60-170.5-80.200108.9I437 V489 T491 L518I437-M520 HydrophobicContact CD1-CE 4.16Å; I437-M520 HydrophobicContact CD1-SD 4.06Å; I437-M520 HydrophobicContact CG2-CE 3.96Å; I437-M520 HydrophobicContact CG2-SD 3.67Å; V489-M520 HydrophobicContact CG1-CB 4.01Å; T491-M520 HydrophobicContact CG2-CG 3.86Å; L518-M520 HydrophobicContact CD2-CG 4.3Å
521L91.1Very high89.2Confident1 Ų140.9 Ų40.91%0.00522%0.22CC..  trans-78.3133.2-179.5-63-175.1000111.4Y424 K452 V490 V502 V519 E525 F527Y424-L521 PolarHBondContact OH-O 3.21Å; K452-L521 VanDerWaalsContact NZ-CB 3.27Å; V490-L521 HydrophobicContact CB-CB 4.25Å; V490-L521 HydrophobicContact CB-CD1 3.97Å; V490-L521 HydrophobicContact CB-CG 4.24Å; V490-L521 HydrophobicContact CG1-CD1 3.87Å; V490-L521 HydrophobicContact CG1-CG 4.34Å; V490-L521 PolarHBondContact O-N 2.99Å; V502-L521 HydrophobicContact CB-CD2 4.42Å; V502-L521 HydrophobicContact CG1-CD2 3.57Å; V502-L521 HydrophobicContact CG2-CD2 3.93Å; V519-L521 HydrophobicContact CG1-CD2 4.18Å; L521-E525 WeakPolarHBondContact CA-OE2 3.27Å; L521-E525 HydrophobicContact CB-CB 4.29Å; L521-E525 HydrophobicContact CD2-CB 4.12Å; L521-F527 HydrophobicContact CD1-CD2 3.81Å; L521-F527 HydrophobicContact CD1-CE1 4.48Å; L521-F527 HydrophobicContact CD1-CE2 3.54Å; L521-F527 HydrophobicContact CD1-CG 4.37Å; L521-F527 HydrophobicContact CD1-CZ 3.9Å; L521-F527 HydrophobicContact CD2-CD1 4.15Å; L521-F527 HydrophobicContact CD2-CE1 3.76Å; L521-F527 HydrophobicContact CD2-CE2 4.28Å; L521-F527 HydrophobicContact CD2-CZ 3.81Å; L521-F527 HydrophobicContact CG-CE1 4.25Å; L521-F527 HydrophobicContact CG-CE2 3.95Å; L521-F527 HydrophobicContact CG-CZ 3.76Å
522G89.9Confident89.2Confident17 Ų1736.1 Ų36.118%0.17520%0.203CC..  trans-66.8170.4163.100000112.4K452 D524 E525K452-G522 PolarHBondContact NZ-O 3.06Å; G522-D524 VanDerWaalsContact C-N 3.31Å; G522-D524 PolarHBondContact O-N 3.01Å; G522-E525 PolarHBondContact N-OE2 3.38Å; G522-E525 PolarHBondContact O-N 2.92Å
523P89.4Confident89.2Confident20 Ų2035 Ų3513%0.1320%0.197CC..THydrogen-bonded Turntrans-55.5-45-179.1-24.733.2000113.2Y424 V433 W450 K452Y424-P523 HydrophobicContact CD1-CB 4.45Å; Y424-P523 HydrophobicContact CD1-CG 4.09Å; Y424-P523 HydrophobicContact CE1-CG 4.32Å; V433-P523 HydrophobicContact CB-CB 4.17Å; V433-P523 HydrophobicContact CB-CG 4.42Å; V433-P523 HydrophobicContact CG1-CB 3.75Å; V433-P523 HydrophobicContact CG1-CG 3.94Å; W450-P523 HydrophobicContact CZ3-CB 4.29Å; K452-P523 WeakPolarHBondContact CE-O 3.37Å
524D88.8Confident89.1Confident61 Ų6134.3 Ų34.333%0.32619%0.193SC..THydrogen-bonded Turntrans-94.75.3-174.9-57.1-60.7000113.4Y505 R506 G522Y505-D524 WeakPolarHBondContact CD2-O 3.28Å; Y505-D524 PolarHBondContact N-O 3.18Å; R506-D524 HydrophobicContact CB-CB 3.8Å; R506-D524 WeakPolarHBondContact CD-OD2 3.46Å; R506-D524 IonicContact CZ-OD2 2.87Å; R506-D524 IonicContact NE-OD2 3.72Å; R506-D524 IonicContact NH1-OD2 3.54Å; R506-D524 PolarHBondContact NH1-OD2 3.24Å; G522-D524 VanDerWaalsContact C-N 3.31Å; G522-D524 PolarHBondContact O-N 3.01Å
525E91.1Very high88.9Confident17 Ų1736.1 Ų36.18%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-92.6143.5-179.1-67.7-168.6137.900112.4K452 V502 Y503 D504 R511 L521 G522K452-E525 VanDerWaalsContact CE-O 3.3Å; K452-E525 WeakPolarHBondContact CE-O 3.38Å; K452-E525 PolarHBondContact NZ-O 3.43Å; V502-E525 HydrophobicContact CG1-CB 3.71Å; V502-E525 HydrophobicContact CG1-CG 4.07Å; Y503-E525 CarbonylContact O-C 3.58Å; Y503-E525 WeakPolarHBondContact O-CA 3.41Å; D504-E525 HydrophobicContact CB-CG 4.02Å; R511-E525 IonicContact CZ-OE1 3.8Å; R511-E525 IonicContact CZ-OE2 3.45Å; R511-E525 IonicContact NE-OE1 2.82Å; R511-E525 PolarHBondContact NE-OE1 3.07Å; R511-E525 VanDerWaalsContact NH2-CD 3.29Å; R511-E525 IonicContact NH2-OE1 3.07Å; R511-E525 PolarHBondContact NH2-OE1 3.38Å; R511-E525 IonicContact NH2-OE2 4Å; R511-E525 PolarHBondContact NH2-OE2 3.08Å; L521-E525 WeakPolarHBondContact CA-OE2 3.27Å; L521-E525 HydrophobicContact CB-CB 4.29Å; L521-E525 HydrophobicContact CD2-CB 4.12Å; G522-E525 PolarHBondContact N-OE2 3.38Å; G522-E525 PolarHBondContact O-N 2.92Å
526Q90.4Very high89Confident57 Ų5739.8 Ų39.827%0.26621%0.214SC..EExtended strand (participates in β ladder)trans-134.5154.9171.3-58.6-174-7.100112.5V502 Y503 Y505V502-Q526 WeakPolarHBondContact CA-O 2.98Å; Y503-Q526 PolarHBondContact N-O 3.16Å; Y503-Q526 PolarHBondContact O-N 3.33Å; Y505-Q526 HydrophobicContact CD2-CG 4.08Å; Y505-Q526 HydrophobicContact CE2-CB 3.87Å; Y505-Q526 VanDerWaalsContact CE2-CD 3.46Å; Y505-Q526 HydrophobicContact CE2-CG 3.63Å; Y505-Q526 PolarHBondContact OH-OE1 2.84Å
527F91Very high89Confident9 Ų939.4 Ų39.44%0.03921%0.212CC..EExtended strand (participates in β ladder)trans-72.7135.6169.8-67.5-58.2000111V458 L462 V490 F492 V500 V502 V519 L521 I546V458-F527 HydrophobicContact CG1-CD2 4.03Å; L462-F527 HydrophobicContact CD1-CD2 4.49Å; L462-F527 HydrophobicContact CD1-CE2 4.27Å; L462-F527 HydrophobicContact CD2-CD2 4.45Å; L462-F527 HydrophobicContact CD2-CE2 3.98Å; V490-F527 HydrophobicContact CG1-CE2 3.89Å; F492-F527 HydrophobicContact CB-CE1 4.06Å; F492-F527 HydrophobicContact CB-CE2 4.05Å; F492-F527 HydrophobicContact CB-CZ 3.4Å; F492-F527 VanDerWaalsContact CB-CZ 3.4Å; F492-F527 HydrophobicContact CG-CZ 4.21Å; V500-F527 HydrophobicContact CG1-CD1 3.48Å; V500-F527 VanDerWaalsContact CG1-CD1 3.48Å; V500-F527 HydrophobicContact CG1-CE1 3.74Å; V502-F527 HydrophobicContact CG2-CD1 4.09Å; V502-F527 HydrophobicContact CG2-CE1 4.08Å; V519-F527 HydrophobicContact CB-CE1 4.43Å; V519-F527 HydrophobicContact CG1-CE1 3.9Å; V519-F527 HydrophobicContact CG1-CZ 4.33Å; L521-F527 HydrophobicContact CD1-CD2 3.81Å; L521-F527 HydrophobicContact CD1-CE1 4.48Å; L521-F527 HydrophobicContact CD1-CE2 3.54Å; L521-F527 HydrophobicContact CD1-CG 4.37Å; L521-F527 HydrophobicContact CD1-CZ 3.9Å; L521-F527 HydrophobicContact CD2-CD1 4.15Å; L521-F527 HydrophobicContact CD2-CE1 3.76Å; L521-F527 HydrophobicContact CD2-CE2 4.28Å; L521-F527 HydrophobicContact CD2-CZ 3.81Å; L521-F527 HydrophobicContact CG-CE1 4.25Å; L521-F527 HydrophobicContact CG-CE2 3.95Å; L521-F527 HydrophobicContact CG-CZ 3.76Å; F527-I546 HydrophobicContact CB-CG2 4.03Å; F527-I546 HydrophobicContact CD1-CG2 3.89Å; F527-I546 HydrophobicContact CD2-CG2 4.27Å; F527-I546 HydrophobicContact CE1-CG2 4.44Å; F527-I546 HydrophobicContact CG-CG2 3.8Å
528T88.6Confident89.2Confident43 Ų4335.9 Ų35.926%0.26420%0.195SC..PPolyproline II helixtrans-80.8122.2168.9-53.40000109Q501Q501-T528 PolarHBondContact O-N 3.4Å; Q501-T528 PolarHBondContact O-OG1 3.43Å
529I88.6Confident89.2Confident60 Ų6041.4 Ų41.431%0.30821%0.213SC..PPolyproline II helixtrans-85.3131-179.3-52.6172.6000109.4N457 V458 L461 K544N457-I529 HydrophobicContact CB-CD1 4.07Å; V458-I529 HydrophobicContact CG2-CD1 3.44Å; V458-I529 VanDerWaalsContact CG2-CD1 3.44Å; V458-I529 HydrophobicContact CG2-CG1 3.75Å; L461-I529 HydrophobicContact CD1-CG2 4.48Å; I529-K544 HydrophobicContact CG2-CB 4.5Å
530L87.9Confident89.2Confident7 Ų744.3 Ų44.34%0.03724%0.238CC..EExtended strand (participates in β ladder)trans-89.8134.3169.9-61.5167.6000109.7L532 K544 A545 L548 F594L530-L532 HydrophobicContact CB-CD2 4.4Å; L530-L532 HydrophobicContact CB-CG 4.32Å; L530-K544 WeakPolarHBondContact O-CA 3.1Å; L530-A545 PolarHBondContact N-O 3.46Å; L530-A545 PolarHBondContact O-N 3.05Å; L530-L548 HydrophobicContact CD1-CB 3.65Å; L530-L548 HydrophobicContact CD1-CD1 3.95Å; L530-L548 HydrophobicContact CD1-CG 4.41Å; L530-F594 HydrophobicContact CD1-CE1 4.2Å; L530-F594 HydrophobicContact CD2-CD1 3.85Å; L530-F594 HydrophobicContact CD2-CE1 4.14Å; L530-F594 HydrophobicContact CG-CE1 4.45Å
531S89.6Confident88.9Confident33 Ų3346.8 Ų46.823%0.23125%0.252CS..EExtended strand (participates in β ladder)trans-117.499.5172.2-154.60000108.8N541 I543 D598S531-N541 WeakPolarHBondContact OG-CA 3.36Å; S531-N541 WeakPolarHBondContact OG-CB 3.29Å; S531-N541 PolarHBondContact OG-OD1 3.43Å; S531-I543 CarbonylContact C-O 3.6Å; S531-I543 WeakPolarHBondContact CA-O 3.23Å; S531-D598 WeakPolarHBondContact O-CB 3.39Å
532L90.3Very high88.7Confident19 Ų1949.7 Ų49.710%0.09927%0.269CS..EExtended strand (participates in β ladder)trans-101.1148-173.1-55177.4000111.1L530 V542 I543 D598 F599L530-L532 HydrophobicContact CB-CD2 4.4Å; L530-L532 HydrophobicContact CB-CG 4.32Å; L532-V542 PolarHBondContact O-N 3.06Å; L532-I543 HydrophobicContact CB-CB 4.18Å; L532-I543 PolarHBondContact N-O 3.48Å; L532-I543 PolarHBondContact O-N 2.85Å; L532-D598 WeakPolarHBondContact CA-OD1 3.02Å; L532-F599 HydrophobicContact CD1-CE1 3.88Å; L532-F599 HydrophobicContact CD2-CD1 3.65Å; L532-F599 HydrophobicContact CD2-CE1 3.77Å; L532-F599 HydrophobicContact CG-CE1 4.48Å
533S91.2Very high88.5Confident8 Ų852.9 Ų52.96%0.05628%0.282CS..EExtended strand (participates in β ladder)trans-65.9130.4171.7-790000111.6R539 A540 D598 G601S533-R539 CarbonylContact C-O 3.55Å; S533-R539 WeakPolarHBondContact CA-O 3.47Å; S533-A540 WeakPolarHBondContact OG-CA 3.43Å; S533-D598 WeakPolarHBondContact CB-OD2 3.21Å; S533-D598 VanDerWaalsContact N-CG 3.33Å; S533-D598 PolarHBondContact N-OD1 2.89Å; S533-D598 PolarHBondContact N-OD2 3.46Å; S533-D598 PolarHBondContact OG-OD2 2.86Å; S533-G601 WeakPolarHBondContact OG-CA 3.43Å
534G87Confident88.3Confident0 Ų056.3 Ų56.30%030%0.295CS..EExtended strand (participates in β ladder)trans-122.7-176.9179.100000112.4K538 R539G534-K538 CarbonylContact O-C 3.59Å; G534-K538 WeakPolarHBondContact O-CA 3.31Å; G534-R539 PolarHBondContact N-O 2.97Å; G534-R539 PolarHBondContact O-N 2.71Å
535D86.3Confident88.2Confident69 Ų6954.4 Ų54.437%0.36929%0.287SS..THydrogen-bonded Turntrans64.8179.1178.4-56.8-40000117P537 K538 R539D535-P537 CarbonylContact C-O 3.51Å; D535-K538 PolarHBondContact O-NZ 3.5Å; D535-R539 IonicContact OD2-CZ 2.89Å; D535-R539 IonicContact OD2-NE 2.83Å; D535-R539 PolarHBondContact OD2-NE 3.46Å; D535-R539 IonicContact OD2-NH2 3.51Å; D535-R539 PolarHBondContact OD2-NH2 2.9Å
536K85.7Confident88Confident96 Ų9654 Ų5442%0.41729%0.285SS..THydrogen-bonded Turntrans-136.8103.7-179.5-71.4-175.1-173.2-165.60108.3T556 I558K536-T556 WeakPolarHBondContact CE-OG1 3.13Å; K536-T556 PolarHBondContact NZ-OG1 3.43Å; K536-I558 HydrophobicContact CB-CD1 3.73Å; K536-I558 HydrophobicContact CB-CG1 3.83Å; K536-I558 HydrophobicContact CD-CD1 4.38Å; K536-I558 HydrophobicContact CD-CG1 4.44Å; K536-I558 HydrophobicContact CG-CG1 4.33Å
537P87.6Confident88Confident82 Ų8251.6 Ų51.653%0.53228%0.275SS..THydrogen-bonded Turncis-67.3159.30.830.5-36.8000113D535 R539D535-P537 CarbonylContact C-O 3.51Å; P537-R539 PolarHBondContact O-N 2.92Å
538K89.8Confident87.9Confident52 Ų5251.3 Ų51.323%0.22627%0.274CS..THydrogen-bonded Turntrans-61.3124.8-178.9-74.5-79.2172.3-110.90112.6G534 D535 T556 D557 V600 C604G534-K538 CarbonylContact O-C 3.59Å; G534-K538 WeakPolarHBondContact O-CA 3.31Å; D535-K538 PolarHBondContact O-NZ 3.5Å; K538-T556 WeakPolarHBondContact CE-O 3.44Å; K538-T556 PolarHBondContact NZ-O 3.34Å; K538-D557 HydrophobicContact CG-CB 3.96Å; K538-D557 VanDerWaalsContact CG-OD1 3.24Å; K538-D557 WeakPolarHBondContact CG-OD1 3.32Å; K538-D557 PolarHBondContact N-OD1 3.04Å; K538-D557 VanDerWaalsContact N-OD1 3.12Å; K538-V600 HydrophobicContact CD-CG1 4.1Å; K538-C604 HydrophobicContact CG-CB 4.24Å
539R88.6Confident88Confident155 Ų15550.8 Ų50.859%0.58527%0.269SS*.EExtended strand (participates in β ladder)trans-115.9134.9174.1-61-170-65.3-179.3-0.7109.9S533 G534 D535 P537 V542S533-R539 CarbonylContact C-O 3.55Å; S533-R539 WeakPolarHBondContact CA-O 3.47Å; G534-R539 PolarHBondContact N-O 2.97Å; G534-R539 PolarHBondContact O-N 2.71Å; D535-R539 IonicContact OD2-CZ 2.89Å; D535-R539 IonicContact OD2-NE 2.83Å; D535-R539 PolarHBondContact OD2-NE 3.46Å; D535-R539 IonicContact OD2-NH2 3.51Å; D535-R539 PolarHBondContact OD2-NH2 2.9Å; P537-R539 PolarHBondContact O-N 2.92Å; R539-V542 HydrophobicContact CB-CG2 3.73Å; R539-V542 WeakPolarHBondContact O-CG2 3.49Å
540A89Confident88Confident68 Ų6848.6 Ų48.656%0.56226%0.258SS*.EExtended strand (participates in β ladder)trans-65.2150.6178.500000112.1S533 V542S533-A540 WeakPolarHBondContact OG-CA 3.43Å; A540-V542 VanDerWaalsContact C-N 3.3Å; A540-V542 PolarHBondContact O-N 3.31Å
541N85.6Confident87.9Confident108 Ų10849 Ų4958%0.57826%0.263SS*.EExtended strand (participates in β ladder)trans6026172.5-56.4-27.9000116.5S531S531-N541 WeakPolarHBondContact OG-CA 3.36Å; S531-N541 WeakPolarHBondContact OG-CB 3.29Å; S531-N541 PolarHBondContact OG-OD1 3.43Å
542V85.9Confident87.9Confident62 Ų6252.9 Ų52.938%0.37629%0.288SS..EExtended strand (participates in β ladder)trans-82.7-44.4179.7174.30000111.5L532 R539 A540L532-V542 PolarHBondContact O-N 3.06Å; R539-V542 HydrophobicContact CB-CG2 3.73Å; R539-V542 WeakPolarHBondContact O-CG2 3.49Å; A540-V542 VanDerWaalsContact C-N 3.3Å; A540-V542 PolarHBondContact O-N 3.31Å
543I85.1Confident87.9Confident84 Ų8453.3 Ų53.343%0.43129%0.29SS..EExtended strand (participates in β ladder)trans-98.1121.2-176.3-60.1170.4000107.9S531 L532S531-I543 CarbonylContact C-O 3.6Å; S531-I543 WeakPolarHBondContact CA-O 3.23Å; L532-I543 HydrophobicContact CB-CB 4.18Å; L532-I543 PolarHBondContact N-O 3.48Å; L532-I543 PolarHBondContact O-N 2.85Å
544K86.6Confident87.8Confident93 Ų9358.1 Ų58.140%0.40431%0.31SS..EExtended strand (participates in β ladder)trans-106.5129.6170.8-63.1-178.1-176.4176.30108.8N457 L461 I529 L530N457-K544 PolarHBondContact OD1-NZ 3.23Å; L461-K544 HydrophobicContact CD1-CB 4.15Å; L461-K544 WeakPolarHBondContact CD2-O 3.38Å; I529-K544 HydrophobicContact CG2-CB 4.5Å; L530-K544 WeakPolarHBondContact O-CA 3.1Å
545A86.6Confident88Confident21 Ų2158.8 Ų58.817%0.17432%0.315CS..EExtended strand (participates in β ladder)trans-140.7149.1-178.200000111.4L530L530-A545 PolarHBondContact N-O 3.46Å; L530-A545 PolarHBondContact O-N 3.05Å
546I87.2Confident88.2Confident7 Ų756.4 Ų56.44%0.03630%0.303CS..SBendtrans-86.7-37.5173.2-66.8173.1000110.7V458 L461 L462 F492 V500 F527V458-I546 HydrophobicContact CG1-CD1 4.22Å; L461-I546 HydrophobicContact CB-CD1 3.61Å; L461-I546 HydrophobicContact CB-CG1 3.93Å; L461-I546 HydrophobicContact CD1-CG1 3.96Å; L462-I546 HydrophobicContact CD2-CD1 3.65Å; L462-I546 HydrophobicContact CG-CD1 3.8Å; F492-I546 HydrophobicContact CD1-CG2 4.26Å; F492-I546 HydrophobicContact CE1-CG2 4.09Å; F492-I546 HydrophobicContact CE2-CG2 4.46Å; F492-I546 HydrophobicContact CZ-CB 4.32Å; F492-I546 HydrophobicContact CZ-CG2 4.18Å; V500-I546 HydrophobicContact CG1-CG2 4.16Å; V500-I546 HydrophobicContact CG2-CG2 4.36Å; F527-I546 HydrophobicContact CB-CG2 4.03Å; F527-I546 HydrophobicContact CD1-CG2 3.89Å; F527-I546 HydrophobicContact CD2-CG2 4.27Å; F527-I546 HydrophobicContact CE1-CG2 4.44Å; F527-I546 HydrophobicContact CG-CG2 3.8Å
547C89.6Confident88.6Confident8 Ų852.4 Ų52.45%0.05429%0.286CS..EExtended strand (participates in β ladder)trans-103.7140.3179.861.70000112F492 A498 A499 V500F492-C547 HydrophobicContact CE1-CB 4.14Å; F492-C547 HydrophobicContact CZ-CB 4.39Å; A498-C547 HydrophobicContact CB-CB 4.17Å; A499-C547 CarbonylContact O-C 3.56Å; A499-C547 WeakPolarHBondContact O-CA 3.46Å; V500-C547 HydrophobicContact CG2-CB 3.61Å
548L89.9Confident88.8Confident3 Ų349.8 Ų49.82%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-85.1123.2167.6-176.266.2000108.8A498 A499 L530 L550 F579 L593 F594 F599A498-L548 CarbonylContact C-O 3.58Å; A498-L548 WeakPolarHBondContact CA-O 3.41Å; A498-L548 WeakPolarHBondContact CB-O 3.41Å; A499-L548 PolarHBondContact N-O 2.89Å; A499-L548 PolarHBondContact O-N 3.16Å; L530-L548 HydrophobicContact CD1-CB 3.65Å; L530-L548 HydrophobicContact CD1-CD1 3.95Å; L530-L548 HydrophobicContact CD1-CG 4.41Å; L548-L550 HydrophobicContact CD2-CD2 4.36Å; L548-F579 HydrophobicContact CD1-CE2 4.19Å; L548-F579 HydrophobicContact CD1-CZ 4.23Å; L548-F579 HydrophobicContact CD2-CE2 4.3Å; L548-F579 HydrophobicContact CD2-CZ 4.14Å; L548-F579 HydrophobicContact CG-CE2 4.31Å; L548-L593 HydrophobicContact CD2-CB 3.86Å; L548-L593 HydrophobicContact CD2-CD2 4.44Å; L548-F594 HydrophobicContact CB-CE1 3.89Å; L548-F594 HydrophobicContact CB-CZ 3.82Å; L548-F594 HydrophobicContact CD2-CE1 4.5Å; L548-F594 HydrophobicContact CD2-CE2 4.44Å; L548-F594 HydrophobicContact CD2-CZ 4.31Å; L548-F599 HydrophobicContact CD1-CD1 3.78Å; L548-F599 HydrophobicContact CD1-CE1 3.52Å; L548-F599 HydrophobicContact CD1-CZ 4.41Å
549L90Very high89Confident32 Ų3247.4 Ų47.417%0.16826%0.257CS..EExtended strand (participates in β ladder)trans-79.7128.6171.8-61.8176.3000109.4P468 A498 W577P468-L549 HydrophobicContact CB-CD2 4.3Å; A498-L549 HydrophobicContact CB-CD2 4.08Å; L549-W577 HydrophobicContact CB-CH2 4.25Å; L549-W577 WeakPolarHBondContact O-CH2 3.32Å; L549-W577 WeakPolarHBondContact O-CZ3 3.36Å
550L88.9Confident89.2Confident14 Ų1443.8 Ų43.87%0.07325%0.249CC..  trans-85.8-14.6-178-57.2177.2000112.6N497 A499 F514 L548 H578 F579 L593N497-L550 WeakPolarHBondContact O-CB 3.44Å; N497-L550 PolarHBondContact O-N 2.85Å; A499-L550 HydrophobicContact CB-CD2 4.25Å; F514-L550 HydrophobicContact CD1-CD1 3.86Å; F514-L550 HydrophobicContact CE1-CD1 3.95Å; L548-L550 HydrophobicContact CD2-CD2 4.36Å; L550-H578 CarbonylContact O-C 3.57Å; L550-H578 WeakPolarHBondContact O-CA 3.36Å; L550-F579 HydrophobicContact CB-CB 4.4Å; L550-F579 HydrophobicContact CD2-CB 4.17Å; L550-F579 HydrophobicContact CD2-CD2 4.4Å; L550-F579 HydrophobicContact CD2-CG 4.37Å; L550-F579 PolarHBondContact O-N 3.13Å; L550-L593 HydrophobicContact CD2-CD1 3.85Å; L550-L593 HydrophobicContact CD2-CD2 4.04Å
551G84.4Confident89.3Confident14 Ų1440.8 Ų40.814%0.14422%0.223CC..SBendtrans85.5-170-176.500000113.3N497N497-G551 PolarHBondContact ND2-O 3.1Å
552P89.9Confident89.7Confident115 Ų11540 Ų4075%0.74722%0.216SC*.SBendcis-66.1133.91.229-35.1000112.3H578P552-H578 HydrophobicContact CB-CB 4.46Å
553D90.3Very high90Very high28 Ų2837.2 Ų37.215%0.1520%0.199CC..EExtended strand (participates in β ladder)trans-148.6177.4-179.7-170.519.4000109.9R472 W577R472-D553 IonicContact CZ-OD1 2.88Å; R472-D553 IonicContact CZ-OD2 3.21Å; R472-D553 VanDerWaalsContact CZ-OD2 3.3Å; R472-D553 IonicContact NH1-OD1 3.07Å; R472-D553 PolarHBondContact NH1-OD1 3.02Å; R472-D553 IonicContact NH1-OD2 2.72Å; R472-D553 PolarHBondContact NH1-OD2 3.33Å; R472-D553 IonicContact NH2-OD1 3.02Å; R472-D553 IonicContact NH2-OD2 2.91Å; R472-D553 PolarHBondContact NH2-OD2 2.86Å; D553-W577 HydrophobicContact CB-CD2 4.41Å; D553-W577 HydrophobicContact CB-CH2 3.91Å; D553-W577 HydrophobicContact CB-CZ2 3.58Å; D553-W577 HydrophobicContact CB-CZ3 4.46Å; D553-W577 PolarHBondContact N-O 3.43Å; D553-W577 PolarHBondContact O-N 3.21Å; D553-W577 WeakPolarHBondContact OD2-CZ2 3.49Å
554F90.6Very high90.3Very high109 Ų10935.5 Ų35.548%0.47820%0.197SC..EExtended strand (participates in β ladder)trans-135.2147.1176.771.6-87.8000112.2T556 A574 Y575 N576F554-T556 HydrophobicContact CD2-CG2 4.09Å; F554-T556 HydrophobicContact CE2-CG2 4.1Å; F554-A574 HydrophobicContact CD2-CB 4.43Å; F554-Y575 CarbonylContact C-O 3.53Å; F554-Y575 WeakPolarHBondContact CA-O 3.46Å; F554-N576 WeakPolarHBondContact CB-OD1 3.47Å
555C90.2Very high90.5Very high14 Ų1434.7 Ų34.710%0.09520%0.197CC..EExtended strand (participates in β ladder)trans-120.3143.5171.8630000109.7A574 Y575 V600C555-A574 CarbonylContact O-C 3.22Å; C555-A574 WeakPolarHBondContact O-CA 3.46Å; C555-Y575 PolarHBondContact N-O 3.25Å; C555-Y575 PolarHBondContact O-N 3.1Å; C555-V600 HydrophobicContact CB-CG1 4.1Å
556T91.3Very high90.5Very high20 Ų2040.1 Ų40.112%0.12322%0.219CC..EExtended strand (participates in β ladder)trans-114.7139.7-177.139.50000110.8K536 K538 F554 L573 A574K536-T556 WeakPolarHBondContact CE-OG1 3.13Å; K536-T556 PolarHBondContact NZ-OG1 3.43Å; K538-T556 WeakPolarHBondContact CE-O 3.44Å; K538-T556 PolarHBondContact NZ-O 3.34Å; F554-T556 HydrophobicContact CD2-CG2 4.09Å; F554-T556 HydrophobicContact CE2-CG2 4.1Å; T556-L573 CarbonylContact C-O 2.78Å; T556-L573 VanDerWaalsContact CA-O 3.23Å; T556-L573 WeakPolarHBondContact CA-O 3.29Å; T556-A574 HydrophobicContact CG2-CB 3.69Å
557D92.8Very high90.5Very high11 Ų1140.3 Ų40.36%0.05922%0.222CC..EExtended strand (participates in β ladder)trans-138156.4-179.5-168.219.8000111.1K538 I559 L573 Y575K538-D557 HydrophobicContact CG-CB 3.96Å; K538-D557 VanDerWaalsContact CG-OD1 3.24Å; K538-D557 WeakPolarHBondContact CG-OD1 3.32Å; K538-D557 PolarHBondContact N-OD1 3.04Å; K538-D557 VanDerWaalsContact N-OD1 3.12Å; D557-I559 WeakPolarHBondContact OD2-CG2 3.36Å; D557-L573 PolarHBondContact N-O 2.97Å; D557-L573 PolarHBondContact O-N 3.2Å; D557-Y575 HydrophobicContact CB-CE2 3.7Å
558I93.4Very high90.6Very high28 Ų2845 Ų4514%0.14424%0.238CC..EExtended strand (participates in β ladder)trans-118.1114.4174.1-57.6-170.7000107.9K536 Q570 L571 Q572K536-I558 HydrophobicContact CB-CD1 3.73Å; K536-I558 HydrophobicContact CB-CG1 3.83Å; K536-I558 HydrophobicContact CD-CD1 4.38Å; K536-I558 HydrophobicContact CD-CG1 4.44Å; K536-I558 HydrophobicContact CG-CG1 4.33Å; I558-Q570 HydrophobicContact CG2-CG 3.45Å; I558-Q570 VanDerWaalsContact CG2-CG 3.45Å; I558-L571 WeakPolarHBondContact CA-O 3.38Å; I558-Q572 HydrophobicContact CD1-CG 4.09Å; I558-Q572 HydrophobicContact CG1-CG 3.99Å
559I92.8Very high90.7Very high1 Ų145 Ų451%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-115.2138178.767.1172000110.1D557 I561 L571 L573 A608 I611D557-I559 WeakPolarHBondContact OD2-CG2 3.36Å; I559-I561 HydrophobicContact CD1-CG2 4.01Å; I559-I561 HydrophobicContact CG1-CG2 4.25Å; I559-L571 HydrophobicContact CD1-CD1 3.96Å; I559-L571 HydrophobicContact CG1-CB 3.79Å; I559-L571 HydrophobicContact CG1-CD1 4.02Å; I559-L571 HydrophobicContact CG1-CG 4.44Å; I559-L571 PolarHBondContact N-O 3.41Å; I559-L571 PolarHBondContact O-N 3.48Å; I559-L573 HydrophobicContact CD1-CD1 3.64Å; I559-L573 HydrophobicContact CG1-CD1 4.07Å; I559-A608 HydrophobicContact CG2-CB 3.68Å; I559-I611 HydrophobicContact CD1-CB 3.99Å; I559-I611 HydrophobicContact CD1-CD1 3.99Å; I559-I611 HydrophobicContact CD1-CG2 3.85Å
560I92.3Very high90.8Very high80 Ų8046 Ų4641%0.4124%0.242SC..EExtended strand (participates in β ladder)trans-96.2129.2169.9-59.1169.1000107.3L569 R612 V668I560-L569 WeakPolarHBondContact CA-O 3.32Å; I560-R612 PolarHBondContact O-NE 2.85Å; I560-V668 HydrophobicContact CG2-CG2 4.29Å
561I92.4Very high91Very high5 Ų545.3 Ų45.33%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-126.5162.6-179.553.9150.8000109.8I559 R568 L569 L571 I611 R612 V615 F623I559-I561 HydrophobicContact CD1-CG2 4.01Å; I559-I561 HydrophobicContact CG1-CG2 4.25Å; I561-R568 WeakPolarHBondContact O-CA 3.36Å; I561-L569 HydrophobicContact CD1-CB 3.97Å; I561-L569 HydrophobicContact CD1-CD1 4.15Å; I561-L569 HydrophobicContact CG1-CB 3.85Å; I561-L569 VanDerWaalsContact CG1-O 3.31Å; I561-L569 WeakPolarHBondContact CG1-O 3.39Å; I561-L569 PolarHBondContact N-O 3.2Å; I561-L569 PolarHBondContact O-N 3.23Å; I561-L571 HydrophobicContact CB-CD1 4.46Å; I561-L571 HydrophobicContact CD1-CD1 3.4Å; I561-L571 VanDerWaalsContact CD1-CD1 3.4Å; I561-L571 HydrophobicContact CD1-CD2 4.3Å; I561-L571 HydrophobicContact CD1-CG 3.81Å; I561-L571 HydrophobicContact CG1-CD1 3.71Å; I561-L571 HydrophobicContact CG1-CG 3.94Å; I561-L571 HydrophobicContact CG2-CD1 3.89Å; I561-I611 HydrophobicContact CG2-CG2 4.21Å; I561-R612 HydrophobicContact CG2-CG 3.79Å; I561-V615 HydrophobicContact CD1-CB 4.11Å; I561-V615 HydrophobicContact CD1-CG1 3.57Å; I561-V615 HydrophobicContact CD1-CG2 4.17Å; I561-F623 HydrophobicContact CD1-CE1 3.91Å; I561-F623 HydrophobicContact CD1-CZ 3.85Å
562E93.1Very high91.4Very high91 Ų9147 Ų4743%0.42524%0.243SC..EExtended strand (participates in β ladder)trans-132.3133.2176.5-169.5176.5168.200108.3H566 A567 R568 A616E562-H566 IonicContact OE1-CE1 3.89Å; E562-H566 IonicContact OE1-CG 3.34Å; E562-H566 IonicContact OE1-ND1 2.82Å; E562-H566 PolarHBondContact OE1-ND1 3.47Å; E562-A567 WeakPolarHBondContact CA-O 3.5Å; E562-R568 HydrophobicContact CG-CG 4.42Å; E562-A616 WeakPolarHBondContact O-CA 3.36Å; E562-A616 PolarHBondContact O-N 3.16Å
563T92.6Very high91.5Very high4 Ų441.6 Ų41.63%0.02521%0.207CC..  trans-85.6170.5177.158.30000111.2D565 H566 A567 L569 V615 V618 F620T563-D565 WeakPolarHBondContact CB-OD1 3.39Å; T563-D565 PolarHBondContact O-N 3.34Å; T563-D565 PolarHBondContact OG1-OD1 3.27Å; T563-H566 PolarHBondContact O-N 3.25Å; T563-A567 HydrophobicContact CG2-CB 4.48Å; T563-A567 PolarHBondContact N-O 3.1Å; T563-A567 VanDerWaalsContact N-O 3.11Å; T563-A567 WeakPolarHBondContact OG1-CA 3.33Å; T563-A567 VanDerWaalsContact OG1-CB 3.22Å; T563-A567 WeakPolarHBondContact OG1-CB 3.43Å; T563-A567 PolarHBondContact OG1-N 2.67Å; T563-A567 PolarHBondContact OG1-O 3.43Å; T563-L569 HydrophobicContact CG2-CD1 4.07Å; T563-V615 HydrophobicContact CG2-CG1 3.77Å; T563-V618 WeakPolarHBondContact CB-O 3.44Å; T563-F620 HydrophobicContact CG2-CB 4.4Å
564A92.3Very high91.7Very high47 Ų4740.4 Ų40.439%0.38820%0.201SC..THydrogen-bonded Turntrans-60.3-26.1179.200000113.9A616 V618A564-A616 WeakPolarHBondContact CA-O 3.44Å; A564-V618 WeakPolarHBondContact CB-O 3.35Å; A564-V618 PolarHBondContact N-O 2.79Å
565D89.8Confident91.8Very high76 Ų7635.2 Ų35.241%0.40618%0.178SC..THydrogen-bonded Turntrans-96.321.1175.756.5-19.9000113.2T563 A567 F620T563-D565 WeakPolarHBondContact CB-OD1 3.39Å; T563-D565 PolarHBondContact O-N 3.34Å; T563-D565 PolarHBondContact OG1-OD1 3.27Å; D565-A567 VanDerWaalsContact C-N 3.27Å; D565-A567 PolarHBondContact O-N 2.63Å; D565-F620 WeakPolarHBondContact OD1-CB 3.46Å; D565-F620 PolarHBondContact OD1-N 2.87Å; D565-F620 VanDerWaalsContact OD2-CB 3.23Å; D565-F620 WeakPolarHBondContact OD2-CB 3.27Å; D565-F620 PolarHBondContact OD2-N 2.85Å
566H87.3Confident91.9Very high136 Ų13636.4 Ų36.463%0.6318%0.184SC*.  trans62.924174.8-57.3-68.5000115.1E562 T563 R568E562-H566 IonicContact OE1-CE1 3.89Å; E562-H566 IonicContact OE1-CG 3.34Å; E562-H566 IonicContact OE1-ND1 2.82Å; E562-H566 PolarHBondContact OE1-ND1 3.47Å; T563-H566 PolarHBondContact O-N 3.25Å; H566-R568 PolarHBondContact O-N 3.2Å
567A87.3Confident92Very high11 Ų1136 Ų369%0.09118%0.18CC..  trans-78.7117171.200000109.5E562 T563 D565 F620E562-A567 WeakPolarHBondContact CA-O 3.5Å; T563-A567 HydrophobicContact CG2-CB 4.48Å; T563-A567 PolarHBondContact N-O 3.1Å; T563-A567 VanDerWaalsContact N-O 3.11Å; T563-A567 WeakPolarHBondContact OG1-CA 3.33Å; T563-A567 VanDerWaalsContact OG1-CB 3.22Å; T563-A567 WeakPolarHBondContact OG1-CB 3.43Å; T563-A567 PolarHBondContact OG1-N 2.67Å; T563-A567 PolarHBondContact OG1-O 3.43Å; D565-A567 VanDerWaalsContact C-N 3.27Å; D565-A567 PolarHBondContact O-N 2.63Å; A567-F620 HydrophobicContact CB-CB 3.88Å; A567-F620 HydrophobicContact CB-CD2 3.84Å; A567-F620 HydrophobicContact CB-CG 4.03Å
568R90.9Very high92.1Very high107 Ų10738.4 Ų38.440%0.40419%0.191SC..EExtended strand (participates in β ladder)trans-84.5118176.7-63.5-179.269.6-1581.9109.9I561 E562 H566 V668I561-R568 WeakPolarHBondContact O-CA 3.36Å; E562-R568 HydrophobicContact CG-CG 4.42Å; H566-R568 PolarHBondContact O-N 3.2Å; R568-V668 HydrophobicContact CB-CB 4.07Å; R568-V668 HydrophobicContact CB-CG2 4.25Å; R568-V668 PolarHBondContact O-N 3.06Å
569L91.1Very high92Very high1 Ų137.8 Ų37.81%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-118.4141.7-179.5-48.5175.6000110.7I560 I561 T563 F620 F623 V665 E666 P667I560-L569 WeakPolarHBondContact CA-O 3.32Å; I561-L569 HydrophobicContact CD1-CB 3.97Å; I561-L569 HydrophobicContact CD1-CD1 4.15Å; I561-L569 HydrophobicContact CG1-CB 3.85Å; I561-L569 VanDerWaalsContact CG1-O 3.31Å; I561-L569 WeakPolarHBondContact CG1-O 3.39Å; I561-L569 PolarHBondContact N-O 3.2Å; I561-L569 PolarHBondContact O-N 3.23Å; T563-L569 HydrophobicContact CG2-CD1 4.07Å; L569-F620 HydrophobicContact CD1-CD2 4.01Å; L569-F620 HydrophobicContact CD1-CE2 4.19Å; L569-F620 HydrophobicContact CD2-CD2 3.91Å; L569-F620 HydrophobicContact CD2-CE2 3.69Å; L569-F620 HydrophobicContact CG-CD2 4.44Å; L569-F623 HydrophobicContact CD1-CD1 3.46Å; L569-F623 VanDerWaalsContact CD1-CD1 3.46Å; L569-F623 HydrophobicContact CD1-CE1 3.53Å; L569-V665 HydrophobicContact CD1-CG1 4.17Å; L569-E666 CarbonylContact C-O 3.52Å; L569-E666 WeakPolarHBondContact CA-O 3.38Å; L569-P667 HydrophobicContact CD2-CB 4.27Å; L569-P667 HydrophobicContact CD2-CG 4.32Å
570Q93.3Very high91.8Very high54 Ų5441 Ų4125%0.25220%0.204SC..EExtended strand (participates in β ladder)trans-100.5117.9169.1-177.3176.4-4100108.1I558 E666 V668I558-Q570 HydrophobicContact CG2-CG 3.45Å; I558-Q570 VanDerWaalsContact CG2-CG 3.45Å; Q570-E666 PolarHBondContact N-O 3.4Å; Q570-E666 PolarHBondContact O-N 3.18Å; Q570-V668 HydrophobicContact CB-CG2 3.97Å
571L92.2Very high91.5Very high0 Ų038.6 Ų38.60%019%0.194CC..EExtended strand (participates in β ladder)trans-102.4127.5176.1-63169.2000109I558 I559 I561 L573 I611 F623 I631 S664 V665I558-L571 WeakPolarHBondContact CA-O 3.38Å; I559-L571 HydrophobicContact CD1-CD1 3.96Å; I559-L571 HydrophobicContact CG1-CB 3.79Å; I559-L571 HydrophobicContact CG1-CD1 4.02Å; I559-L571 HydrophobicContact CG1-CG 4.44Å; I559-L571 PolarHBondContact N-O 3.41Å; I559-L571 PolarHBondContact O-N 3.48Å; I561-L571 HydrophobicContact CB-CD1 4.46Å; I561-L571 HydrophobicContact CD1-CD1 3.4Å; I561-L571 VanDerWaalsContact CD1-CD1 3.4Å; I561-L571 HydrophobicContact CD1-CD2 4.3Å; I561-L571 HydrophobicContact CD1-CG 3.81Å; I561-L571 HydrophobicContact CG1-CD1 3.71Å; I561-L571 HydrophobicContact CG1-CG 3.94Å; I561-L571 HydrophobicContact CG2-CD1 3.89Å; L571-L573 HydrophobicContact CB-CD1 4.41Å; L571-L573 HydrophobicContact CB-CD2 4.23Å; L571-L573 HydrophobicContact CB-CG 4.08Å; L571-I611 HydrophobicContact CD1-CG2 3.92Å; L571-F623 HydrophobicContact CD1-CZ 4.3Å; L571-F623 HydrophobicContact CD2-CE1 4.12Å; L571-F623 HydrophobicContact CD2-CZ 3.94Å; L571-I631 HydrophobicContact CD1-CD1 4.12Å; L571-I631 HydrophobicContact CD2-CD1 4.22Å; L571-S664 WeakPolarHBondContact CA-O 3.46Å; L571-V665 HydrophobicContact CD2-CB 4.05Å; L571-V665 HydrophobicContact CD2-CG1 3.74Å; L571-V665 HydrophobicContact CD2-CG2 3.57Å
572Q93.8Very high90.9Very high50 Ų5047.1 Ų47.123%0.23423%0.231CC..EExtended strand (participates in β ladder)trans-98.4115.7163.5-58-167.912.900108.2I558 Q663 S664I558-Q572 HydrophobicContact CD1-CG 4.09Å; I558-Q572 HydrophobicContact CG1-CG 3.99Å; Q572-Q663 HydrophobicContact CB-CB 4.08Å; Q572-Q663 WeakPolarHBondContact O-CB 3.4Å; Q572-Q663 PolarHBondContact O-N 3.49Å; Q572-S664 WeakPolarHBondContact CB-OG 3.35Å; Q572-S664 VanDerWaalsContact CD-OG 3.27Å; Q572-S664 WeakPolarHBondContact CG-OG 3.43Å; Q572-S664 PolarHBondContact N-O 3.42Å; Q572-S664 PolarHBondContact O-N 3.23Å
573L92.3Very high90.1Very high0 Ų047.7 Ų47.70%024%0.235CC..EExtended strand (participates in β ladder)trans-118.5142-175.6-58.1176.7000109.8T556 D557 I559 L571 Y575 I611 I631 V660 D661 I662T556-L573 CarbonylContact C-O 2.78Å; T556-L573 VanDerWaalsContact CA-O 3.23Å; T556-L573 WeakPolarHBondContact CA-O 3.29Å; D557-L573 PolarHBondContact N-O 2.97Å; D557-L573 PolarHBondContact O-N 3.2Å; I559-L573 HydrophobicContact CD1-CD1 3.64Å; I559-L573 HydrophobicContact CG1-CD1 4.07Å; L571-L573 HydrophobicContact CB-CD1 4.41Å; L571-L573 HydrophobicContact CB-CD2 4.23Å; L571-L573 HydrophobicContact CB-CG 4.08Å; L573-Y575 HydrophobicContact CB-CD1 4.48Å; L573-Y575 HydrophobicContact CB-CE1 3.66Å; L573-Y575 HydrophobicContact CD1-CE1 3.99Å; L573-Y575 WeakPolarHBondContact CD1-OH 3.38Å; L573-Y575 HydrophobicContact CG-CE1 4.47Å; L573-I611 HydrophobicContact CD1-CD1 3.3Å; L573-I631 HydrophobicContact CD2-CD1 4.26Å; L573-V660 HydrophobicContact CD2-CG1 4.49Å; L573-D661 WeakPolarHBondContact CA-O 3.37Å; L573-I662 HydrophobicContact CD2-CB 4.21Å; L573-I662 HydrophobicContact CD2-CG1 3.8Å; L573-I662 HydrophobicContact CD2-CG2 4.2Å
574A93.7Very high89Confident3 Ų353.7 Ų53.73%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-112.8130.2166.300000109.1F554 C555 T556 V660 D661 Q663F554-A574 HydrophobicContact CD2-CB 4.43Å; C555-A574 CarbonylContact O-C 3.22Å; C555-A574 WeakPolarHBondContact O-CA 3.46Å; T556-A574 HydrophobicContact CG2-CB 3.69Å; A574-V660 CarbonylContact O-C 3.6Å; A574-V660 WeakPolarHBondContact O-CA 3.29Å; A574-D661 HydrophobicContact CB-CB 4.28Å; A574-D661 PolarHBondContact N-O 3.42Å; A574-D661 PolarHBondContact O-N 3.44Å; A574-Q663 HydrophobicContact CB-CG 4.36Å
575Y92.5Very high88.1Confident0 Ų052.7 Ų52.70%027%0.266CS..EExtended strand (participates in β ladder)trans-108.1116177.3-43.8-62.1000107.4F554 C555 D557 L573 C604 I607 V660F554-Y575 CarbonylContact C-O 3.53Å; F554-Y575 WeakPolarHBondContact CA-O 3.46Å; C555-Y575 PolarHBondContact N-O 3.25Å; C555-Y575 PolarHBondContact O-N 3.1Å; D557-Y575 HydrophobicContact CB-CE2 3.7Å; L573-Y575 HydrophobicContact CB-CD1 4.48Å; L573-Y575 HydrophobicContact CB-CE1 3.66Å; L573-Y575 HydrophobicContact CD1-CE1 3.99Å; L573-Y575 WeakPolarHBondContact CD1-OH 3.38Å; L573-Y575 HydrophobicContact CG-CE1 4.47Å; Y575-C604 HydrophobicContact CE2-CB 4.26Å; Y575-I607 HydrophobicContact CD1-CD1 3.87Å; Y575-I607 HydrophobicContact CD1-CG2 4.09Å; Y575-I607 HydrophobicContact CD2-CD1 4.3Å; Y575-I607 HydrophobicContact CE1-CB 4.31Å; Y575-I607 HydrophobicContact CE1-CD1 4.16Å; Y575-I607 HydrophobicContact CE1-CG2 3.38Å; Y575-I607 HydrophobicContact CG-CD1 3.94Å; Y575-V660 HydrophobicContact CD1-CB 4.44Å; Y575-V660 HydrophobicContact CD1-CG1 3.88Å; Y575-V660 HydrophobicContact CD1-CG2 4.04Å; Y575-V660 HydrophobicContact CE1-CG1 3.92Å
576N93.4Very high87.6Confident40 Ų4056.1 Ų56.121%0.21428%0.28CS..EExtended strand (participates in β ladder)trans-82.5127.3173.5-66.3-28.9000108F554 I657 S658 S659 D661F554-N576 WeakPolarHBondContact CB-OD1 3.47Å; N576-I657 CarbonylContact O-C 3.55Å; N576-I657 WeakPolarHBondContact O-CA 3.5Å; N576-S658 WeakPolarHBondContact CB-OG 3.32Å; N576-S658 PolarHBondContact O-N 3.34Å; N576-S658 PolarHBondContact O-OG 3.3Å; N576-S659 PolarHBondContact N-O 3Å; N576-S659 PolarHBondContact ND2-OG 3.49Å; N576-D661 PolarHBondContact ND2-OD2 3.44Å
577W93.4Very high87.2Confident10 Ų1055.1 Ų55.14%0.03829%0.285CS..EExtended strand (participates in β ladder)trans-139.5153.1-171.264.4-96.4000112.6L549 D553 F579 F599 L655 V656 I657L549-W577 HydrophobicContact CB-CH2 4.25Å; L549-W577 WeakPolarHBondContact O-CH2 3.32Å; L549-W577 WeakPolarHBondContact O-CZ3 3.36Å; D553-W577 HydrophobicContact CB-CD2 4.41Å; D553-W577 HydrophobicContact CB-CH2 3.91Å; D553-W577 HydrophobicContact CB-CZ2 3.58Å; D553-W577 HydrophobicContact CB-CZ3 4.46Å; D553-W577 PolarHBondContact N-O 3.43Å; D553-W577 PolarHBondContact O-N 3.21Å; D553-W577 WeakPolarHBondContact OD2-CZ2 3.49Å; W577-F579 HydrophobicContact CE3-CD2 4.23Å; W577-F579 HydrophobicContact CE3-CE2 4.21Å; W577-F579 AromaticContact CZ3-CD2 3.83Å; W577-F579 HydrophobicContact CZ3-CD2 3.83Å; W577-F579 AromaticContact CZ3-CE2 3.76Å; W577-F579 HydrophobicContact CZ3-CE2 3.76Å; W577-F599 HydrophobicContact CD2-CE2 4.07Å; W577-F599 AromaticContact CE3-CE2 3.96Å; W577-F599 HydrophobicContact CE3-CE2 3.96Å; W577-F599 HydrophobicContact CE3-CZ 4.47Å; W577-F599 AromaticContact CH2-CE2 3.93Å; W577-F599 HydrophobicContact CH2-CE2 3.93Å; W577-F599 AromaticContact CH2-CZ 3.63Å; W577-F599 HydrophobicContact CH2-CZ 3.63Å; W577-F599 AromaticContact CZ2-CE2 3.99Å; W577-F599 HydrophobicContact CZ2-CE2 3.99Å; W577-F599 AromaticContact CZ2-CZ 3.84Å; W577-F599 HydrophobicContact CZ2-CZ 3.84Å; W577-F599 AromaticContact CZ3-CE2 3.91Å; W577-F599 HydrophobicContact CZ3-CE2 3.91Å; W577-F599 AromaticContact CZ3-CZ 3.96Å; W577-F599 HydrophobicContact CZ3-CZ 3.96Å; W577-L655 HydrophobicContact CB-CD1 4.08Å; W577-L655 HydrophobicContact CD2-CD1 4.25Å; W577-L655 HydrophobicContact CE3-CD1 3.8Å; W577-L655 HydrophobicContact CG-CD1 4.39Å; W577-V656 CarbonylContact C-O 3.3Å; W577-V656 WeakPolarHBondContact CA-O 3.42Å; W577-I657 HydrophobicContact CB-CD1 3.7Å
578H93.9Very high86.8Confident63 Ų6358.1 Ų58.129%0.29231%0.31SS..EExtended strand (participates in β ladder)trans-153159.3168.664-76.8000109.3L550 P552 V656L550-H578 CarbonylContact O-C 3.57Å; L550-H578 WeakPolarHBondContact O-CA 3.36Å; P552-H578 HydrophobicContact CB-CB 4.46Å; H578-V656 PolarHBondContact N-O 3.38Å; H578-V656 PolarHBondContact O-N 3.29Å
579F92.1Very high86.3Confident14 Ų1454.7 Ų54.76%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-91.1125.9171-75.9-87.9000109.8L548 L550 W577 V581 L593 F599 N653 L655L548-F579 HydrophobicContact CD1-CE2 4.19Å; L548-F579 HydrophobicContact CD1-CZ 4.23Å; L548-F579 HydrophobicContact CD2-CE2 4.3Å; L548-F579 HydrophobicContact CD2-CZ 4.14Å; L548-F579 HydrophobicContact CG-CE2 4.31Å; L550-F579 HydrophobicContact CB-CB 4.4Å; L550-F579 HydrophobicContact CD2-CB 4.17Å; L550-F579 HydrophobicContact CD2-CD2 4.4Å; L550-F579 HydrophobicContact CD2-CG 4.37Å; L550-F579 PolarHBondContact O-N 3.13Å; W577-F579 HydrophobicContact CE3-CD2 4.23Å; W577-F579 HydrophobicContact CE3-CE2 4.21Å; W577-F579 AromaticContact CZ3-CD2 3.83Å; W577-F579 HydrophobicContact CZ3-CD2 3.83Å; W577-F579 AromaticContact CZ3-CE2 3.76Å; W577-F579 HydrophobicContact CZ3-CE2 3.76Å; F579-V581 PolarHBondContact O-N 3.46Å; F579-L593 HydrophobicContact CB-CD2 3.85Å; F579-L593 HydrophobicContact CD1-CD2 3.3Å; F579-L593 HydrophobicContact CE1-CD2 3.95Å; F579-L593 HydrophobicContact CG-CD2 3.73Å; F579-F599 HydrophobicContact CE2-CD1 4.49Å; F579-F599 HydrophobicContact CE2-CD2 4.11Å; F579-F599 HydrophobicContact CE2-CE1 4.34Å; F579-F599 AromaticContact CE2-CE2 3.92Å; F579-F599 HydrophobicContact CE2-CE2 3.92Å; F579-F599 HydrophobicContact CE2-CG 4.38Å; F579-F599 HydrophobicContact CE2-CZ 4.04Å; F579-F599 HydrophobicContact CZ-CB 4.28Å; F579-F599 HydrophobicContact CZ-CD1 4.1Å; F579-F599 AromaticContact CZ-CD2 3.83Å; F579-F599 HydrophobicContact CZ-CD2 3.83Å; F579-F599 HydrophobicContact CZ-CE1 4.39Å; F579-F599 HydrophobicContact CZ-CE2 4.13Å; F579-F599 AromaticContact CZ-CG 3.8Å; F579-F599 HydrophobicContact CZ-CG 3.8Å; F579-F599 HydrophobicContact CZ-CZ 4.4Å; F579-N653 VanDerWaalsContact CD1-O 3.23Å; F579-N653 WeakPolarHBondContact CD1-O 3.33Å; F579-N653 HydrophobicContact CE1-CB 4.2Å; F579-N653 WeakPolarHBondContact CE1-O 3.48Å; F579-L655 HydrophobicContact CD1-CB 4.31Å; F579-L655 HydrophobicContact CD1-CD1 4.5Å; F579-L655 HydrophobicContact CD2-CD1 4.24Å; F579-L655 HydrophobicContact CE1-CB 3.99Å; F579-L655 HydrophobicContact CE1-CD1 4.22Å; F579-L655 HydrophobicContact CE2-CD1 3.94Å; F579-L655 HydrophobicContact CZ-CB 4.44Å; F579-L655 HydrophobicContact CZ-CD1 3.94Å
580D88.4Confident85.9Confident68 Ų6854.9 Ų54.936%0.36431%0.306SS..  trans-87.789.1177.4177.328.1000109.9R649 N654 V656D580-R649 IonicContact OD2-CZ 2.8Å; D580-R649 IonicContact OD2-NH1 3.41Å; D580-R649 PolarHBondContact OD2-NH1 3.38Å; D580-R649 IonicContact OD2-NH2 3.27Å; D580-N654 PolarHBondContact N-O 3.29Å; D580-V656 HydrophobicContact CB-CG2 3.78Å
581V85Confident85.5Confident31 Ų3154.2 Ų54.219%0.18831%0.31CS..  trans-134130.7177.6179.20000110.3F514 F579 A585 L593F514-V581 HydrophobicContact CZ-CG1 4.49Å; F579-V581 PolarHBondContact O-N 3.46Å; V581-A585 HydrophobicContact CG1-CB 3.64Å; V581-L593 HydrophobicContact CG2-CD1 4.2Å; V581-L593 HydrophobicContact CG2-CD2 3.64Å; V581-L593 HydrophobicContact CG2-CG 4.04Å
582K79.8Confident85.2Confident184 Ų18455.2 Ų55.280%0.832%0.318SS*.PPolyproline II helixtrans-81.4123.6172.6-64.1-178.9-178.5178.70109.2P584 A585K582-P584 CarbonylContact O-C 3.56Å; K582-A585 WeakPolarHBondContact O-CA 3.49Å; K582-A585 WeakPolarHBondContact O-CB 3.43Å; K582-A585 PolarHBondContact O-N 2.89Å
583I77.4Confident85Confident103 Ų10353 Ų5353%0.52831%0.308SS..SBendtrans-101126.1177-55.9170.3000107.7F514F514-I583 HydrophobicContact CD1-CD1 4.27Å; F514-I583 HydrophobicContact CD1-CG1 4.44Å
584P69.6Low84.8Confident129 Ų12953.9 Ų53.984%0.83831%0.312SS*.SBendcis-73.8133.73.2-10.726.9000112.7K582K582-P584 CarbonylContact O-C 3.56Å
585A71.9Confident84.6Confident26 Ų2657.4 Ų57.422%0.21534%0.336CS..PPolyproline II helixtrans-91.5147.9-178.600000111.5F514 V581 K582 A590F514-A585 HydrophobicContact CE2-CB 4.13Å; F514-A585 HydrophobicContact CZ-CB 4.09Å; V581-A585 HydrophobicContact CG1-CB 3.64Å; K582-A585 WeakPolarHBondContact O-CA 3.49Å; K582-A585 WeakPolarHBondContact O-CB 3.43Å; K582-A585 PolarHBondContact O-N 2.89Å; A585-A590 HydrophobicContact CB-CB 4.34Å
586E79.7Confident84.5Confident149 Ų14958.5 Ų58.570%0.69634%0.343SS*.PPolyproline II helixtrans-60.6145.2165.9-70.9-176.3175.600110.4A588 A589 A590E586-A588 PolarHBondContact O-N 3.05Å; E586-A588 VanDerWaalsContact O-N 3.07Å; E586-A589 PolarHBondContact O-N 3.31Å; E586-A590 PolarHBondContact O-N 2.86Å
587P78.5Confident84.1Confident115 Ų11561 Ų6175%0.74736%0.362SS*.Hα-helixtrans-53.3-34.7-178.7-28.234.6000114A590 A591P587-A590 PolarHBondContact O-N 3.37Å; P587-A591 WeakPolarHBondContact O-CB 3.24Å; P587-A591 PolarHBondContact O-N 2.88Å
588A78.9Confident83.9Confident74 Ų7462 Ų6261%0.61237%0.367SS*.Hα-helixtrans-67.7-42.5176.700000112.6E586 A590 A591 A592E586-A588 PolarHBondContact O-N 3.05Å; E586-A588 VanDerWaalsContact O-N 3.07Å; A588-A590 VanDerWaalsContact C-N 3.35Å; A588-A591 PolarHBondContact O-N 3.01Å; A588-A592 PolarHBondContact O-N 2.83Å; A588-A592 VanDerWaalsContact O-N 3.07Å
589A80.6Confident83.8Confident35 Ų3559.3 Ų59.329%0.28936%0.355SS..Hα-helixtrans-68.9-35176.700000111.8E586 A592E586-A589 PolarHBondContact O-N 3.31Å; A589-A592 WeakPolarHBondContact O-CB 3.4Å; A589-A592 PolarHBondContact O-N 3.24Å
590A83.6Confident83.8Confident5 Ų559.3 Ų59.34%0.04136%0.356CS..Hα-helixtrans-68.3-39.7175.100000112.1V512 F514 A585 E586 P587 A588 A592 L593V512-A590 HydrophobicContact CB-CB 3.88Å; V512-A590 HydrophobicContact CG1-CB 4.12Å; V512-A590 HydrophobicContact CG2-CB 4.27Å; F514-A590 HydrophobicContact CE2-CB 3.85Å; F514-A590 HydrophobicContact CZ-CB 3.87Å; A585-A590 HydrophobicContact CB-CB 4.34Å; E586-A590 PolarHBondContact O-N 2.86Å; P587-A590 PolarHBondContact O-N 3.37Å; A588-A590 VanDerWaalsContact C-N 3.35Å; A590-A592 VanDerWaalsContact C-N 3.31Å; A590-A592 PolarHBondContact O-N 3.46Å; A590-L593 WeakPolarHBondContact O-CB 3.46Å; A590-L593 PolarHBondContact O-N 3.26Å
591A84.6Confident83.9Confident40 Ų4056.6 Ų56.633%0.33134%0.344SS..Hα-helixtrans-67.4-30.5174.300000112.8P587 A588 L593 F594 S595P587-A591 WeakPolarHBondContact O-CB 3.24Å; P587-A591 PolarHBondContact O-N 2.88Å; A588-A591 PolarHBondContact O-N 3.01Å; A591-L593 PolarHBondContact O-N 3.01Å; A591-F594 PolarHBondContact O-N 3.31Å; A591-F594 VanDerWaalsContact O-N 3.15Å; A591-S595 PolarHBondContact O-N 2.88Å; A591-S595 PolarHBondContact O-OG 3.4Å
592A86.8Confident84.2Confident21 Ų2158.8 Ų58.817%0.17436%0.355CS..Hα-helixtrans-58.6-34.4176.900000112.6A588 A589 A590 F594 S595 N653A588-A592 PolarHBondContact O-N 2.83Å; A588-A592 VanDerWaalsContact O-N 3.07Å; A589-A592 WeakPolarHBondContact O-CB 3.4Å; A589-A592 PolarHBondContact O-N 3.24Å; A590-A592 VanDerWaalsContact C-N 3.31Å; A590-A592 PolarHBondContact O-N 3.46Å; A592-F594 PolarHBondContact O-N 3.48Å; A592-S595 WeakPolarHBondContact CA-OG 3.49Å; A592-S595 VanDerWaalsContact O-CB 3.27Å; A592-S595 WeakPolarHBondContact O-CB 3.27Å; A592-S595 PolarHBondContact O-N 3.36Å; A592-S595 PolarHBondContact O-OG 2.87Å; A592-N653 WeakPolarHBondContact O-CA 3.19Å
593L88.4Confident84.7Confident2 Ų250.1 Ų50.11%0.0132%0.318CS..THydrogen-bonded Turntrans-54.5-36.2176.8-72.7170.6000113.2F514 L548 L550 F579 V581 A590 A591F514-L593 HydrophobicContact CE1-CD1 3.8Å; F514-L593 HydrophobicContact CZ-CD1 3.95Å; L548-L593 HydrophobicContact CD2-CB 3.86Å; L548-L593 HydrophobicContact CD2-CD2 4.44Å; L550-L593 HydrophobicContact CD2-CD1 3.85Å; L550-L593 HydrophobicContact CD2-CD2 4.04Å; F579-L593 HydrophobicContact CB-CD2 3.85Å; F579-L593 HydrophobicContact CD1-CD2 3.3Å; F579-L593 HydrophobicContact CE1-CD2 3.95Å; F579-L593 HydrophobicContact CG-CD2 3.73Å; V581-L593 HydrophobicContact CG2-CD1 4.2Å; V581-L593 HydrophobicContact CG2-CD2 3.64Å; V581-L593 HydrophobicContact CG2-CG 4.04Å; A590-L593 WeakPolarHBondContact O-CB 3.46Å; A590-L593 PolarHBondContact O-N 3.26Å; A591-L593 PolarHBondContact O-N 3.01Å
594F89.3Confident85.4Confident19 Ų1945.3 Ų45.38%0.08329%0.293CS..THydrogen-bonded Turntrans-96.63.6-177.4-65.3-94000112.9A499 Q501 V512 L530 L548 A591 A592 V596A499-F594 HydrophobicContact CB-CE2 4.08Å; A499-F594 HydrophobicContact CB-CZ 4.06Å; Q501-F594 HydrophobicContact CB-CD1 3.76Å; Q501-F594 HydrophobicContact CB-CD2 4.04Å; Q501-F594 HydrophobicContact CB-CE1 3.72Å; Q501-F594 HydrophobicContact CB-CE2 4.02Å; Q501-F594 HydrophobicContact CB-CG 3.93Å; Q501-F594 HydrophobicContact CB-CZ 3.86Å; Q501-F594 HydrophobicContact CG-CG 4.47Å; V512-F594 HydrophobicContact CB-CE2 4.5Å; V512-F594 HydrophobicContact CG1-CD2 4.47Å; V512-F594 HydrophobicContact CG1-CE2 3.71Å; V512-F594 HydrophobicContact CG2-CD2 3.95Å; V512-F594 HydrophobicContact CG2-CE2 3.94Å; L530-F594 HydrophobicContact CD1-CE1 4.2Å; L530-F594 HydrophobicContact CD2-CD1 3.85Å; L530-F594 HydrophobicContact CD2-CE1 4.14Å; L530-F594 HydrophobicContact CG-CE1 4.45Å; L548-F594 HydrophobicContact CB-CE1 3.89Å; L548-F594 HydrophobicContact CB-CZ 3.82Å; L548-F594 HydrophobicContact CD2-CE1 4.5Å; L548-F594 HydrophobicContact CD2-CE2 4.44Å; L548-F594 HydrophobicContact CD2-CZ 4.31Å; A591-F594 PolarHBondContact O-N 3.31Å; A591-F594 VanDerWaalsContact O-N 3.15Å; A592-F594 PolarHBondContact O-N 3.48Å; F594-V596 VanDerWaalsContact C-N 3.25Å; F594-V596 PolarHBondContact O-N 3.47Å
595S89.3Confident86.4Confident77 Ų7746.8 Ų46.854%0.53829%0.287SS..SBendtrans-68.2-25.7-178.7-66.80000113.1A591 A592A591-S595 PolarHBondContact O-N 2.88Å; A591-S595 PolarHBondContact O-OG 3.4Å; A592-S595 WeakPolarHBondContact CA-OG 3.49Å; A592-S595 VanDerWaalsContact O-CB 3.27Å; A592-S595 WeakPolarHBondContact O-CB 3.27Å; A592-S595 PolarHBondContact O-N 3.36Å; A592-S595 PolarHBondContact O-OG 2.87Å
596V89.6Confident87.4Confident24 Ų2447.1 Ų47.115%0.14529%0.289CS..SBendtrans-105.7108.9175-1780000108.6F594 D598 F599 D602 Q652 N653F594-V596 VanDerWaalsContact C-N 3.25Å; F594-V596 PolarHBondContact O-N 3.47Å; V596-D598 PolarHBondContact O-N 2.89Å; V596-F599 HydrophobicContact CG1-CB 4.37Å; V596-D602 HydrophobicContact CG1-CB 4.19Å; V596-Q652 HydrophobicContact CG2-CB 3.93Å; V596-N653 HydrophobicContact CB-CB 4.28Å; V596-N653 HydrophobicContact CG2-CB 3.94Å
597P84.4Confident87.9Confident93 Ų9340 Ų4060%0.60426%0.256SS*.THydrogen-bonded Turntrans-61.9-38.5-175.4-25.134000114.3
598D90.8Very high88.5Confident30 Ų3034.7 Ų34.716%0.1622%0.222CC..THydrogen-bonded Turntrans-123.376.1178.4-175.99.5000110.7S531 L532 S533 V596 V600 G601 D602S531-D598 WeakPolarHBondContact O-CB 3.39Å; L532-D598 WeakPolarHBondContact CA-OD1 3.02Å; S533-D598 WeakPolarHBondContact CB-OD2 3.21Å; S533-D598 VanDerWaalsContact N-CG 3.33Å; S533-D598 PolarHBondContact N-OD1 2.89Å; S533-D598 PolarHBondContact N-OD2 3.46Å; S533-D598 PolarHBondContact OG-OD2 2.86Å; V596-D598 PolarHBondContact O-N 2.89Å; D598-V600 VanDerWaalsContact C-N 3.26Å; D598-V600 PolarHBondContact O-N 3.24Å; D598-G601 PolarHBondContact O-N 3.47Å; D598-G601 PolarHBondContact OD1-N 3.26Å; D598-G601 WeakPolarHBondContact OD2-CA 3.42Å; D598-D602 WeakPolarHBondContact O-CB 3.36Å; D598-D602 PolarHBondContact O-N 2.81Å
599F91.4Very high89.1Confident7 Ų735 Ų353%0.03122%0.219CC..Hα-helixtrans-63.3-32.6-17980.2-88000112.8L532 L548 W577 F579 V596 A603 N653 L655L532-F599 HydrophobicContact CD1-CE1 3.88Å; L532-F599 HydrophobicContact CD2-CD1 3.65Å; L532-F599 HydrophobicContact CD2-CE1 3.77Å; L532-F599 HydrophobicContact CG-CE1 4.48Å; L548-F599 HydrophobicContact CD1-CD1 3.78Å; L548-F599 HydrophobicContact CD1-CE1 3.52Å; L548-F599 HydrophobicContact CD1-CZ 4.41Å; W577-F599 HydrophobicContact CD2-CE2 4.07Å; W577-F599 AromaticContact CE3-CE2 3.96Å; W577-F599 HydrophobicContact CE3-CE2 3.96Å; W577-F599 HydrophobicContact CE3-CZ 4.47Å; W577-F599 AromaticContact CH2-CE2 3.93Å; W577-F599 HydrophobicContact CH2-CE2 3.93Å; W577-F599 AromaticContact CH2-CZ 3.63Å; W577-F599 HydrophobicContact CH2-CZ 3.63Å; W577-F599 AromaticContact CZ2-CE2 3.99Å; W577-F599 HydrophobicContact CZ2-CE2 3.99Å; W577-F599 AromaticContact CZ2-CZ 3.84Å; W577-F599 HydrophobicContact CZ2-CZ 3.84Å; W577-F599 AromaticContact CZ3-CE2 3.91Å; W577-F599 HydrophobicContact CZ3-CE2 3.91Å; W577-F599 AromaticContact CZ3-CZ 3.96Å; W577-F599 HydrophobicContact CZ3-CZ 3.96Å; F579-F599 HydrophobicContact CE2-CD1 4.49Å; F579-F599 HydrophobicContact CE2-CD2 4.11Å; F579-F599 HydrophobicContact CE2-CE1 4.34Å; F579-F599 AromaticContact CE2-CE2 3.92Å; F579-F599 HydrophobicContact CE2-CE2 3.92Å; F579-F599 HydrophobicContact CE2-CG 4.38Å; F579-F599 HydrophobicContact CE2-CZ 4.04Å; F579-F599 HydrophobicContact CZ-CB 4.28Å; F579-F599 HydrophobicContact CZ-CD1 4.1Å; F579-F599 AromaticContact CZ-CD2 3.83Å; F579-F599 HydrophobicContact CZ-CD2 3.83Å; F579-F599 HydrophobicContact CZ-CE1 4.39Å; F579-F599 HydrophobicContact CZ-CE2 4.13Å; F579-F599 AromaticContact CZ-CG 3.8Å; F579-F599 HydrophobicContact CZ-CG 3.8Å; F579-F599 HydrophobicContact CZ-CZ 4.4Å; V596-F599 HydrophobicContact CG1-CB 4.37Å; F599-A603 WeakPolarHBondContact O-CB 3.47Å; F599-A603 PolarHBondContact O-N 2.75Å; F599-N653 WeakPolarHBondContact CB-ND2 3.24Å; F599-L655 HydrophobicContact CD2-CD1 3.8Å; F599-L655 HydrophobicContact CD2-CD2 3.83Å; F599-L655 HydrophobicContact CD2-CG 4.41Å; F599-L655 HydrophobicContact CE2-CD1 4.02Å
600V91.6Very high89.6Confident13 Ų1337.4 Ų37.48%0.07922%0.223CC..Hα-helixtrans-68.4-49179.3179.50000109.8K538 C555 D598 A603 C604K538-V600 HydrophobicContact CD-CG1 4.1Å; C555-V600 HydrophobicContact CB-CG1 4.1Å; D598-V600 VanDerWaalsContact C-N 3.26Å; D598-V600 PolarHBondContact O-N 3.24Å; V600-A603 PolarHBondContact O-N 2.94Å; V600-C604 WeakPolarHBondContact O-CB 3.49Å; V600-C604 PolarHBondContact O-N 3.46Å; V600-C604 PolarHBondContact O-SG 2.87Å
601G90.3Very high90Very high12 Ų1237.2 Ų37.212%0.12422%0.221CC..Hα-helixtrans-62.1-45.1178.600000112.1S533 D598 K605S533-G601 WeakPolarHBondContact OG-CA 3.43Å; D598-G601 PolarHBondContact O-N 3.47Å; D598-G601 PolarHBondContact OD1-N 3.26Å; D598-G601 WeakPolarHBondContact OD2-CA 3.42Å; G601-K605 WeakPolarHBondContact O-CB 3.36Å; G601-K605 PolarHBondContact O-N 3.15Å
602D90.9Very high90.4Very high77 Ų7741 Ų4141%0.41223%0.227SC..Hα-helixtrans-64.2-45.3178.8-164.956.9000111.8V596 D598 K605 A606V596-D602 HydrophobicContact CG1-CB 4.19Å; D598-D602 WeakPolarHBondContact O-CB 3.36Å; D598-D602 PolarHBondContact O-N 2.81Å; D602-K605 PolarHBondContact O-N 3.21Å; D602-A606 WeakPolarHBondContact O-CB 3.4Å; D602-A606 PolarHBondContact O-N 3.45Å
603A91.6Very high90.6Very high2 Ų242.5 Ų42.52%0.01725%0.245CC..Hα-helixtrans-62.5-51.1176.800000112.2F599 V600 K605 A606 I607 F650 L655F599-A603 WeakPolarHBondContact O-CB 3.47Å; F599-A603 PolarHBondContact O-N 2.75Å; V600-A603 PolarHBondContact O-N 2.94Å; A603-K605 VanDerWaalsContact C-N 3.32Å; A603-K605 PolarHBondContact O-N 3.43Å; A603-A606 PolarHBondContact O-N 2.97Å; A603-I607 WeakPolarHBondContact O-CB 3.44Å; A603-I607 WeakPolarHBondContact O-CD1 3.42Å; A603-I607 WeakPolarHBondContact O-CG1 3.47Å; A603-I607 PolarHBondContact O-N 3.17Å; A603-F650 HydrophobicContact CB-CE2 4.02Å; A603-F650 HydrophobicContact CB-CZ 4.04Å; A603-L655 HydrophobicContact CB-CD2 3.71Å
604C91.7Very high90.7Very high2 Ų243.7 Ų43.71%0.01426%0.255CS..Hα-helixtrans-61.9-40178.9-67.10000111.5K538 Y575 V600 I607 A608K538-C604 HydrophobicContact CG-CB 4.24Å; Y575-C604 HydrophobicContact CE2-CB 4.26Å; V600-C604 WeakPolarHBondContact O-CB 3.49Å; V600-C604 PolarHBondContact O-N 3.46Å; V600-C604 PolarHBondContact O-SG 2.87Å; C604-I607 PolarHBondContact O-N 3.18Å; C604-A608 WeakPolarHBondContact O-CB 3.41Å; C604-A608 PolarHBondContact O-N 2.84Å
605K91Very high90.8Very high160 Ų16042.8 Ų42.870%0.69625%0.251SS*.Hα-helixtrans-64.8-44.7177.6-174.5179.3-179.6-176.30112G601 D602 A603 S609G601-K605 WeakPolarHBondContact O-CB 3.36Å; G601-K605 PolarHBondContact O-N 3.15Å; D602-K605 PolarHBondContact O-N 3.21Å; A603-K605 VanDerWaalsContact C-N 3.32Å; A603-K605 PolarHBondContact O-N 3.43Å; K605-S609 WeakPolarHBondContact O-CB 3.43Å; K605-S609 PolarHBondContact O-N 2.83Å
606A91.4Very high90.9Very high33 Ų3341.8 Ų41.827%0.27325%0.247SC..Hα-helixtrans-63.8-44.7177.500000111.8D602 A603 S609 K610 F650D602-A606 WeakPolarHBondContact O-CB 3.4Å; D602-A606 PolarHBondContact O-N 3.45Å; A603-A606 PolarHBondContact O-N 2.97Å; A606-S609 PolarHBondContact O-N 2.92Å; A606-K610 PolarHBondContact O-N 2.94Å; A606-K610 VanDerWaalsContact O-N 3.1Å; A606-F650 HydrophobicContact CB-CE1 4.01Å; A606-F650 HydrophobicContact CB-CZ 4.18Å
607I91.9Very high91Very high0 Ų045 Ų450%027%0.271CS..Hα-helixtrans-65.1-47177.6-66.9166.3000111Y575 A603 C604 S609 K610 I611 V635 L648 I657Y575-I607 HydrophobicContact CD1-CD1 3.87Å; Y575-I607 HydrophobicContact CD1-CG2 4.09Å; Y575-I607 HydrophobicContact CD2-CD1 4.3Å; Y575-I607 HydrophobicContact CE1-CB 4.31Å; Y575-I607 HydrophobicContact CE1-CD1 4.16Å; Y575-I607 HydrophobicContact CE1-CG2 3.38Å; Y575-I607 HydrophobicContact CG-CD1 3.94Å; A603-I607 WeakPolarHBondContact O-CB 3.44Å; A603-I607 WeakPolarHBondContact O-CD1 3.42Å; A603-I607 WeakPolarHBondContact O-CG1 3.47Å; A603-I607 PolarHBondContact O-N 3.17Å; C604-I607 PolarHBondContact O-N 3.18Å; I607-S609 VanDerWaalsContact C-N 3.26Å; I607-S609 PolarHBondContact O-N 3.37Å; I607-K610 WeakPolarHBondContact O-CB 3.33Å; I607-K610 PolarHBondContact O-N 2.8Å; I607-K610 VanDerWaalsContact O-N 3.13Å; I607-I611 HydrophobicContact CG2-CD1 3.67Å; I607-I611 HydrophobicContact CG2-CG1 4.31Å; I607-I611 WeakPolarHBondContact O-CG1 3.4Å; I607-I611 PolarHBondContact O-N 3.35Å; I607-V635 HydrophobicContact CG1-CG1 4.21Å; I607-V635 HydrophobicContact CG2-CG1 4.38Å; I607-V635 HydrophobicContact CG2-CG2 3.72Å; I607-L648 HydrophobicContact CG1-CD2 4.36Å; I607-I657 HydrophobicContact CD1-CD1 4.35Å; I607-I657 HydrophobicContact CD1-CG1 4.11Å; I607-I657 HydrophobicContact CD1-CG2 4.49Å
608A90.8Very high91.4Very high3 Ų341.8 Ų41.83%0.02525%0.249CC..Hα-helixtrans-57.7-40.1177.100000111.8I559 C604 R612I559-A608 HydrophobicContact CG2-CB 3.68Å; C604-A608 WeakPolarHBondContact O-CB 3.41Å; C604-A608 PolarHBondContact O-N 2.84Å; A608-R612 WeakPolarHBondContact O-CB 3.37Å; A608-R612 VanDerWaalsContact O-CG 3.28Å; A608-R612 WeakPolarHBondContact O-CG 3.47Å; A608-R612 PolarHBondContact O-N 3.5Å
609S91.8Very high91.5Very high79 Ų7946.6 Ų46.655%0.55227%0.271SS*.Hα-helixtrans-64.6-43.2176.3-167.10000112.3K605 A606 I607 G613K605-S609 WeakPolarHBondContact O-CB 3.43Å; K605-S609 PolarHBondContact O-N 2.83Å; A606-S609 PolarHBondContact O-N 2.92Å; I607-S609 VanDerWaalsContact C-N 3.26Å; I607-S609 PolarHBondContact O-N 3.37Å; S609-G613 PolarHBondContact O-N 2.87Å; S609-G613 VanDerWaalsContact O-N 3.08Å
610K91.3Very high91.3Very high87 Ų8747.7 Ų47.738%0.37828%0.276SS..Hα-helixtrans-62.4-45.4176.4-77.4166.4164.7-92.10111.9A606 I607 G613 A614 V635A606-K610 PolarHBondContact O-N 2.94Å; A606-K610 VanDerWaalsContact O-N 3.1Å; I607-K610 WeakPolarHBondContact O-CB 3.33Å; I607-K610 PolarHBondContact O-N 2.8Å; I607-K610 VanDerWaalsContact O-N 3.13Å; K610-G613 PolarHBondContact O-N 2.76Å; K610-A614 PolarHBondContact O-N 2.89Å; K610-A614 VanDerWaalsContact O-N 3.1Å; K610-V635 PolarHBondContact NZ-O 2.85Å
611I92.1Very high91.1Very high0 Ų051 Ų510%029%0.293CS..Hα-helixtrans-66.8-46.9-179.9-63.6171.4000110.8I559 I561 L571 L573 I607 G613 A614 V615 I631 V635I559-I611 HydrophobicContact CD1-CB 3.99Å; I559-I611 HydrophobicContact CD1-CD1 3.99Å; I559-I611 HydrophobicContact CD1-CG2 3.85Å; I561-I611 HydrophobicContact CG2-CG2 4.21Å; L571-I611 HydrophobicContact CD1-CG2 3.92Å; L573-I611 HydrophobicContact CD1-CD1 3.3Å; I607-I611 HydrophobicContact CG2-CD1 3.67Å; I607-I611 HydrophobicContact CG2-CG1 4.31Å; I607-I611 WeakPolarHBondContact O-CG1 3.4Å; I607-I611 PolarHBondContact O-N 3.35Å; I611-G613 VanDerWaalsContact C-N 3.29Å; I611-G613 PolarHBondContact O-N 3.41Å; I611-A614 PolarHBondContact O-N 2.87Å; I611-V615 HydrophobicContact CG2-CG2 3.98Å; I611-V615 WeakPolarHBondContact O-CG2 3.27Å; I611-V615 PolarHBondContact O-N 3.44Å; I611-I631 HydrophobicContact CD1-CG2 3.85Å; I611-I631 HydrophobicContact CG1-CG2 4.29Å; I611-I631 HydrophobicContact CG2-CG1 4.16Å; I611-V635 HydrophobicContact CD1-CG2 3.85Å; I611-V635 HydrophobicContact CG1-CG2 3.7Å
612R91.3Very high91.1Very high120 Ų12053.6 Ų53.645%0.45330%0.304SS..Hα-helixtrans-56.3-44.4176.3-76.9176.8-165.2134.57.1111.8I560 I561 A608 A616I560-R612 PolarHBondContact O-NE 2.85Å; I561-R612 HydrophobicContact CG2-CG 3.79Å; A608-R612 WeakPolarHBondContact O-CB 3.37Å; A608-R612 VanDerWaalsContact O-CG 3.28Å; A608-R612 WeakPolarHBondContact O-CG 3.47Å; A608-R612 PolarHBondContact O-N 3.5Å; R612-A616 WeakPolarHBondContact O-CB 3.43Å; R612-A616 PolarHBondContact O-N 2.96Å; R612-A616 VanDerWaalsContact O-N 3.17Å
613G90.9Very high91.1Very high53 Ų5350 Ų5055%0.54628%0.284SS..Hα-helixtrans-63-42.117900000113.2S609 K610 I611S609-G613 PolarHBondContact O-N 2.87Å; S609-G613 VanDerWaalsContact O-N 3.08Å; K610-G613 PolarHBondContact O-N 2.76Å; I611-G613 VanDerWaalsContact C-N 3.29Å; I611-G613 PolarHBondContact O-N 3.41Å
614A90.4Very high90.8Very high26 Ų2655 Ų5522%0.21531%0.307CS..Hα-helixtrans-71.9-45.9179.700000112.3K610 I611 A616 S617 A634K610-A614 PolarHBondContact O-N 2.89Å; K610-A614 VanDerWaalsContact O-N 3.1Å; I611-A614 PolarHBondContact O-N 2.87Å; A614-A616 VanDerWaalsContact C-N 3.32Å; A614-A616 PolarHBondContact O-N 3.48Å; A614-S617 PolarHBondContact O-N 2.99Å; A614-S617 VanDerWaalsContact O-N 3.16Å; A614-S617 PolarHBondContact O-OG 3.35Å; A614-A634 HydrophobicContact CB-CB 3.43Å; A614-A634 VanDerWaalsContact CB-CB 3.43Å
615V92.4Very high90.6Very high1 Ų161.6 Ų61.61%0.00634%0.336CS..Hα-helixtrans-70.5-29.3-174.7-178.50000112.5I561 T563 I611 S617 V618 F623 I630I561-V615 HydrophobicContact CD1-CB 4.11Å; I561-V615 HydrophobicContact CD1-CG1 3.57Å; I561-V615 HydrophobicContact CD1-CG2 4.17Å; T563-V615 HydrophobicContact CG2-CG1 3.77Å; I611-V615 HydrophobicContact CG2-CG2 3.98Å; I611-V615 WeakPolarHBondContact O-CG2 3.27Å; I611-V615 PolarHBondContact O-N 3.44Å; V615-S617 PolarHBondContact O-N 3.04Å; V615-V618 PolarHBondContact O-N 3.23Å; V615-F623 HydrophobicContact CB-CD2 4.5Å; V615-F623 HydrophobicContact CB-CE2 4.4Å; V615-F623 HydrophobicContact CG1-CD2 3.88Å; V615-F623 HydrophobicContact CG1-CE2 4.03Å; V615-F623 HydrophobicContact CG1-CG 4.13Å; V615-F623 HydrophobicContact CG1-CZ 4.4Å; V615-F623 HydrophobicContact CG2-CD2 3.84Å; V615-F623 HydrophobicContact CG2-CE2 3.4Å; V615-F623 VanDerWaalsContact CG2-CE2 3.4Å; V615-F623 HydrophobicContact CG2-CZ 4.08Å; V615-I630 HydrophobicContact CG2-CG2 4.29Å
616A91.3Very high90.6Very high55 Ų5556.6 Ų56.646%0.45532%0.317SS..THydrogen-bonded Turntrans-59.8-18.7173.700000113.7E562 A564 R612 A614E562-A616 WeakPolarHBondContact O-CA 3.36Å; E562-A616 PolarHBondContact O-N 3.16Å; A564-A616 WeakPolarHBondContact CA-O 3.44Å; R612-A616 WeakPolarHBondContact O-CB 3.43Å; R612-A616 PolarHBondContact O-N 2.96Å; R612-A616 VanDerWaalsContact O-N 3.17Å; A614-A616 VanDerWaalsContact C-N 3.32Å; A614-A616 PolarHBondContact O-N 3.48Å
617S91.2Very high90.4Very high93 Ų9356.2 Ų56.265%0.6531%0.312SS*.THydrogen-bonded Turntrans-94.8-4.2177.470.60000114.6A614 V615A614-S617 PolarHBondContact O-N 2.99Å; A614-S617 VanDerWaalsContact O-N 3.16Å; A614-S617 PolarHBondContact O-OG 3.35Å; V615-S617 PolarHBondContact O-N 3.04Å
618V92.8Very high90.2Very high24 Ų2461 Ų6115%0.14534%0.337CS..SBendtrans-116.5143.3-173.7-1750000110.2T563 A564 V615 D622 F623 I630T563-V618 WeakPolarHBondContact CB-O 3.44Å; A564-V618 WeakPolarHBondContact CB-O 3.35Å; A564-V618 PolarHBondContact N-O 2.79Å; V615-V618 PolarHBondContact O-N 3.23Å; V618-D622 HydrophobicContact CG1-CB 3.89Å; V618-D622 WeakPolarHBondContact CG1-OD2 3.45Å; V618-F623 HydrophobicContact CG1-CB 4.25Å; V618-I630 HydrophobicContact CG1-CD1 3.98Å
619Q92.6Very high90.1Very high132 Ų13268.6 Ų68.662%0.61737%0.366SS*.  trans-73.8155174.8-67.8-175-26.700111.9D621 D622 F623Q619-D621 PolarHBondContact O-N 2.8Å; Q619-D622 PolarHBondContact O-N 2.91Å; Q619-F623 WeakPolarHBondContact O-CB 3.49Å; Q619-F623 PolarHBondContact O-N 3.31Å
620F88.6Confident90Very high30 Ų3065.6 Ų65.613%0.13234%0.343CS..Hα-helixtrans-56.8-45-177.8169.8-98.9000113.8T563 D565 A567 L569 F623 H624 L676T563-F620 HydrophobicContact CG2-CB 4.4Å; D565-F620 WeakPolarHBondContact OD1-CB 3.46Å; D565-F620 PolarHBondContact OD1-N 2.87Å; D565-F620 VanDerWaalsContact OD2-CB 3.23Å; D565-F620 WeakPolarHBondContact OD2-CB 3.27Å; D565-F620 PolarHBondContact OD2-N 2.85Å; A567-F620 HydrophobicContact CB-CB 3.88Å; A567-F620 HydrophobicContact CB-CD2 3.84Å; A567-F620 HydrophobicContact CB-CG 4.03Å; L569-F620 HydrophobicContact CD1-CD2 4.01Å; L569-F620 HydrophobicContact CD1-CE2 4.19Å; L569-F620 HydrophobicContact CD2-CD2 3.91Å; L569-F620 HydrophobicContact CD2-CE2 3.69Å; L569-F620 HydrophobicContact CG-CD2 4.44Å; F620-F623 PolarHBondContact O-N 2.9Å; F620-H624 HydrophobicContact CE1-CB 4.5Å; F620-H624 HydrophobicContact CZ-CB 4.27Å; F620-H624 WeakPolarHBondContact O-CB 3.39Å; F620-H624 PolarHBondContact O-N 3.31Å; F620-L676 HydrophobicContact CE1-CD1 4.4Å; F620-L676 HydrophobicContact CE1-CD2 3.9Å; F620-L676 HydrophobicContact CZ-CD1 3.8Å; F620-L676 HydrophobicContact CZ-CD2 4Å; F620-L676 HydrophobicContact CZ-CG 4.44Å
621D86.9Confident89.9Confident83 Ų8361.5 Ų61.544%0.44433%0.325SS..Hα-helixtrans-65.1-42.3-177.4-178.360.4000112.4Q619 H624 K625Q619-D621 PolarHBondContact O-N 2.8Å; D621-H624 PolarHBondContact O-N 2.91Å; D621-K625 VanDerWaalsContact CG-NZ 3.34Å; D621-K625 WeakPolarHBondContact O-CG 3.27Å; D621-K625 PolarHBondContact O-N 2.84Å; D621-K625 VanDerWaalsContact O-N 3.1Å; D621-K625 VanDerWaalsContact OD1-CE 3.29Å; D621-K625 WeakPolarHBondContact OD1-CE 3.2Å; D621-K625 IonicContact OD1-NZ 2.69Å; D621-K625 PolarHBondContact OD1-NZ 2.95Å; D621-K625 IonicContact OD2-NZ 3.66Å; D621-K625 PolarHBondContact OD2-NZ 3.24Å
622D90.2Very high89.8Confident66 Ų6662.8 Ų62.835%0.35333%0.334SS..Hα-helixtrans-66.6-41.2175.8-174.133.7000110.9V618 Q619 H624 K625 N626V618-D622 HydrophobicContact CG1-CB 3.89Å; V618-D622 WeakPolarHBondContact CG1-OD2 3.45Å; Q619-D622 PolarHBondContact O-N 2.91Å; D622-H624 PolarHBondContact O-N 3.47Å; D622-K625 PolarHBondContact O-N 3.45Å; D622-N626 WeakPolarHBondContact O-CB 3.44Å; D622-N626 PolarHBondContact O-N 3.47Å; D622-N626 PolarHBondContact OD1-ND2 2.92Å
623F90.9Very high89.6Confident0 Ų058.2 Ų58.20%032%0.32CS..Hα-helixtrans-63.2-40.1173.5-176.4-102000112.4I561 L569 L571 V615 V618 Q619 F620 K625 N626 S627 I630 I631 V665I561-F623 HydrophobicContact CD1-CE1 3.91Å; I561-F623 HydrophobicContact CD1-CZ 3.85Å; L569-F623 HydrophobicContact CD1-CD1 3.46Å; L569-F623 VanDerWaalsContact CD1-CD1 3.46Å; L569-F623 HydrophobicContact CD1-CE1 3.53Å; L571-F623 HydrophobicContact CD1-CZ 4.3Å; L571-F623 HydrophobicContact CD2-CE1 4.12Å; L571-F623 HydrophobicContact CD2-CZ 3.94Å; V615-F623 HydrophobicContact CB-CD2 4.5Å; V615-F623 HydrophobicContact CB-CE2 4.4Å; V615-F623 HydrophobicContact CG1-CD2 3.88Å; V615-F623 HydrophobicContact CG1-CE2 4.03Å; V615-F623 HydrophobicContact CG1-CG 4.13Å; V615-F623 HydrophobicContact CG1-CZ 4.4Å; V615-F623 HydrophobicContact CG2-CD2 3.84Å; V615-F623 HydrophobicContact CG2-CE2 3.4Å; V615-F623 VanDerWaalsContact CG2-CE2 3.4Å; V615-F623 HydrophobicContact CG2-CZ 4.08Å; V618-F623 HydrophobicContact CG1-CB 4.25Å; Q619-F623 WeakPolarHBondContact O-CB 3.49Å; Q619-F623 PolarHBondContact O-N 3.31Å; F620-F623 PolarHBondContact O-N 2.9Å; F623-K625 PolarHBondContact O-N 3.42Å; F623-N626 PolarHBondContact O-N 3.46Å; F623-S627 WeakPolarHBondContact O-CA 3.42Å; F623-S627 WeakPolarHBondContact O-CB 3.44Å; F623-S627 PolarHBondContact O-N 3.49Å; F623-I630 HydrophobicContact CB-CD1 4.41Å; F623-I630 HydrophobicContact CD2-CB 4.33Å; F623-I630 HydrophobicContact CD2-CD1 3.99Å; F623-I630 HydrophobicContact CD2-CG2 4.09Å; F623-I630 HydrophobicContact CE2-CG2 4.27Å; F623-I631 HydrophobicContact CE2-CD1 4.12Å; F623-I631 HydrophobicContact CE2-CG1 4.12Å; F623-I631 HydrophobicContact CZ-CD1 3.88Å; F623-I631 HydrophobicContact CZ-CG1 4.35Å; F623-V665 HydrophobicContact CE1-CG1 4.01Å
624H86.3Confident89.6Confident108 Ų10856.6 Ų56.650%0.530%0.302SS..Hα-helixtrans-64-40.5179.5-175.847.5000111.9F620 D621 D622F620-H624 HydrophobicContact CE1-CB 4.5Å; F620-H624 HydrophobicContact CZ-CB 4.27Å; F620-H624 WeakPolarHBondContact O-CB 3.39Å; F620-H624 PolarHBondContact O-N 3.31Å; D621-H624 PolarHBondContact O-N 2.91Å; D622-H624 PolarHBondContact O-N 3.47Å
625K86.8Confident89.5Confident140 Ų14055.3 Ų55.361%0.60929%0.292SS*.Hα-helixtrans-76-37.2178-69.4168.6-178162.10113.3D621 D622 F623D621-K625 VanDerWaalsContact CG-NZ 3.34Å; D621-K625 WeakPolarHBondContact O-CG 3.27Å; D621-K625 PolarHBondContact O-N 2.84Å; D621-K625 VanDerWaalsContact O-N 3.1Å; D621-K625 VanDerWaalsContact OD1-CE 3.29Å; D621-K625 WeakPolarHBondContact OD1-CE 3.2Å; D621-K625 IonicContact OD1-NZ 2.69Å; D621-K625 PolarHBondContact OD1-NZ 2.95Å; D621-K625 IonicContact OD2-NZ 3.66Å; D621-K625 PolarHBondContact OD2-NZ 3.24Å; D622-K625 PolarHBondContact O-N 3.45Å; F623-K625 PolarHBondContact O-N 3.42Å
626N90.5Very high89.4Confident55 Ų5556 Ų5629%0.29430%0.295SS..Hα-helixtrans-117.118.6-169.6-64.8-54.9000114.4D622 F623 N628 R629 I630D622-N626 WeakPolarHBondContact O-CB 3.44Å; D622-N626 PolarHBondContact O-N 3.47Å; D622-N626 PolarHBondContact OD1-ND2 2.92Å; F623-N626 PolarHBondContact O-N 3.46Å; N626-N628 VanDerWaalsContact C-N 3.29Å; N626-N628 PolarHBondContact O-N 3.45Å; N626-N628 VanDerWaalsContact O-N 3.15Å; N626-R629 PolarHBondContact O-N 3.42Å; N626-I630 HydrophobicContact CB-CD1 3.89Å; N626-I630 HydrophobicContact CB-CG1 4.32Å; N626-I630 WeakPolarHBondContact O-CG1 3.47Å; N626-I630 PolarHBondContact O-N 3.31Å
627S88.4Confident89.1Confident26 Ų2654.4 Ų54.418%0.18228%0.284CS..Hα-helixtrans-46.8-47.4-174.4500000113.6F623 R629 I630 I631F623-S627 WeakPolarHBondContact O-CA 3.42Å; F623-S627 WeakPolarHBondContact O-CB 3.44Å; F623-S627 PolarHBondContact O-N 3.49Å; S627-R629 PolarHBondContact O-N 2.89Å; S627-I630 PolarHBondContact O-N 3.43Å; S627-I631 WeakPolarHBondContact O-CB 3.5Å; S627-I631 WeakPolarHBondContact O-CG1 3.29Å; S627-I631 PolarHBondContact O-N 3.37Å
628N87.6Confident88.7Confident99 Ų9955.5 Ų55.553%0.52928%0.277SS..Hα-helixtrans-58.3-49.2178.9-171.219.8000112.8N626 I630 C632 I662N626-N628 VanDerWaalsContact C-N 3.29Å; N626-N628 PolarHBondContact O-N 3.45Å; N626-N628 VanDerWaalsContact O-N 3.15Å; N628-I630 PolarHBondContact O-N 2.96Å; N628-C632 VanDerWaalsContact O-CB 3.3Å; N628-C632 WeakPolarHBondContact O-CB 3.5Å; N628-C632 PolarHBondContact O-N 2.89Å; N628-C632 PolarHBondContact O-SG 3.33Å; N628-C632 PolarHBondContact OD1-SG 2.86Å; N628-C632 VanDerWaalsContact OD1-SG 3.38Å; N628-I662 HydrophobicContact CB-CD1 4.24Å
629R87.6Confident88Confident163 Ų16358 Ų5862%0.61529%0.289SS*.Hα-helixtrans-66.9-39.2-179.1-172.417969.1155.70.4111.7N626 S627 S633N626-R629 PolarHBondContact O-N 3.42Å; S627-R629 PolarHBondContact O-N 2.89Å; R629-S633 VanDerWaalsContact O-CB 3.25Å; R629-S633 WeakPolarHBondContact O-CB 3.35Å; R629-S633 PolarHBondContact O-N 3.37Å; R629-S633 PolarHBondContact O-OG 3.15Å
630I89.9Confident87.2Confident16 Ų1660.7 Ų60.78%0.08230%0.302CS..Hα-helixtrans-68.7-46.1-179-65.8161000110.3V615 V618 F623 N626 S627 N628 S633 A634V615-I630 HydrophobicContact CG2-CG2 4.29Å; V618-I630 HydrophobicContact CG1-CD1 3.98Å; F623-I630 HydrophobicContact CB-CD1 4.41Å; F623-I630 HydrophobicContact CD2-CB 4.33Å; F623-I630 HydrophobicContact CD2-CD1 3.99Å; F623-I630 HydrophobicContact CD2-CG2 4.09Å; F623-I630 HydrophobicContact CE2-CG2 4.27Å; N626-I630 HydrophobicContact CB-CD1 3.89Å; N626-I630 HydrophobicContact CB-CG1 4.32Å; N626-I630 WeakPolarHBondContact O-CG1 3.47Å; N626-I630 PolarHBondContact O-N 3.31Å; S627-I630 PolarHBondContact O-N 3.43Å; N628-I630 PolarHBondContact O-N 2.96Å; I630-S633 PolarHBondContact O-OG 3.05Å; I630-S633 VanDerWaalsContact O-OG 3.1Å; I630-A634 VanDerWaalsContact O-CB 3.26Å; I630-A634 WeakPolarHBondContact O-CB 3.33Å; I630-A634 PolarHBondContact O-N 3.4Å
631I89.9Confident86.6Confident1 Ų168.1 Ų68.11%0.00533%0.334CS..Hα-helixtrans-66.2-47.6178.7-73165.4000110.9L571 L573 I611 F623 S627 S633 A634 V635 V660 I662L571-I631 HydrophobicContact CD1-CD1 4.12Å; L571-I631 HydrophobicContact CD2-CD1 4.22Å; L573-I631 HydrophobicContact CD2-CD1 4.26Å; I611-I631 HydrophobicContact CD1-CG2 3.85Å; I611-I631 HydrophobicContact CG1-CG2 4.29Å; I611-I631 HydrophobicContact CG2-CG1 4.16Å; F623-I631 HydrophobicContact CE2-CD1 4.12Å; F623-I631 HydrophobicContact CE2-CG1 4.12Å; F623-I631 HydrophobicContact CZ-CD1 3.88Å; F623-I631 HydrophobicContact CZ-CG1 4.35Å; S627-I631 WeakPolarHBondContact O-CB 3.5Å; S627-I631 WeakPolarHBondContact O-CG1 3.29Å; S627-I631 PolarHBondContact O-N 3.37Å; I631-S633 PolarHBondContact O-N 3.47Å; I631-A634 PolarHBondContact O-N 3.47Å; I631-V635 HydrophobicContact CG2-CG2 4.47Å; I631-V635 WeakPolarHBondContact O-CG2 3.28Å; I631-V635 PolarHBondContact O-N 3.42Å; I631-V660 HydrophobicContact CG2-CG1 3.81Å; I631-I662 HydrophobicContact CB-CD1 4.2Å; I631-I662 HydrophobicContact CD1-CD1 3.44Å; I631-I662 VanDerWaalsContact CD1-CD1 3.44Å; I631-I662 HydrophobicContact CD1-CG1 3.83Å; I631-I662 HydrophobicContact CG1-CD1 4.34Å
632C88.4Confident85.9Confident27 Ų2771.1 Ų71.118%0.18235%0.35CS..Hα-helixtrans-61.9-43.5179.3-70.90000112.1N628 A634 V635 F636N628-C632 VanDerWaalsContact O-CB 3.3Å; N628-C632 WeakPolarHBondContact O-CB 3.5Å; N628-C632 PolarHBondContact O-N 2.89Å; N628-C632 PolarHBondContact O-SG 3.33Å; N628-C632 PolarHBondContact OD1-SG 2.86Å; N628-C632 VanDerWaalsContact OD1-SG 3.38Å; C632-A634 PolarHBondContact O-N 3.2Å; C632-V635 PolarHBondContact O-N 2.91Å; C632-F636 HydrophobicContact CB-CD2 4.22Å; C632-F636 HydrophobicContact CB-CE2 4.42Å; C632-F636 VanDerWaalsContact O-CD2 3.23Å; C632-F636 WeakPolarHBondContact O-CD2 3.35Å; C632-F636 PolarHBondContact O-N 3.34Å
633S88.3Confident85.3Confident24 Ų2470.6 Ų70.617%0.16835%0.354CS..Hα-helixtrans-67.4-34.9178.162.20000112.7R629 I630 I631 G637R629-S633 VanDerWaalsContact O-CB 3.25Å; R629-S633 WeakPolarHBondContact O-CB 3.35Å; R629-S633 PolarHBondContact O-N 3.37Å; R629-S633 PolarHBondContact O-OG 3.15Å; I630-S633 PolarHBondContact O-OG 3.05Å; I630-S633 VanDerWaalsContact O-OG 3.1Å; I631-S633 PolarHBondContact O-N 3.47Å; S633-G637 VanDerWaalsContact O-CA 3.24Å; S633-G637 WeakPolarHBondContact O-CA 3.42Å; S633-G637 PolarHBondContact O-N 2.95Å
634A89.6Confident84.7Confident19 Ų1973.6 Ų73.616%0.15737%0.372CS..Hα-helixtrans-65.9-40.3174.900000113A614 I630 I631 C632A614-A634 HydrophobicContact CB-CB 3.43Å; A614-A634 VanDerWaalsContact CB-CB 3.43Å; I630-A634 VanDerWaalsContact O-CB 3.26Å; I630-A634 WeakPolarHBondContact O-CB 3.33Å; I630-A634 PolarHBondContact O-N 3.4Å; I631-A634 PolarHBondContact O-N 3.47Å; C632-A634 PolarHBondContact O-N 3.2Å
635V89.6Confident84.6Confident0 Ų074.3 Ų74.30%037%0.371CS..Hα-helixtrans-76.7-55.3-176.8176.60000111.5I607 K610 I611 I631 C632 L648 V660I607-V635 HydrophobicContact CG1-CG1 4.21Å; I607-V635 HydrophobicContact CG2-CG1 4.38Å; I607-V635 HydrophobicContact CG2-CG2 3.72Å; K610-V635 PolarHBondContact NZ-O 2.85Å; I611-V635 HydrophobicContact CD1-CG2 3.85Å; I611-V635 HydrophobicContact CG1-CG2 3.7Å; I631-V635 HydrophobicContact CG2-CG2 4.47Å; I631-V635 WeakPolarHBondContact O-CG2 3.28Å; I631-V635 PolarHBondContact O-N 3.42Å; C632-V635 PolarHBondContact O-N 2.91Å; V635-L648 HydrophobicContact CG1-CD2 4Å; V635-V660 HydrophobicContact CB-CG2 4.24Å; V635-V660 HydrophobicContact CG1-CG2 3.91Å; V635-V660 HydrophobicContact CG2-CG2 4.27Å
636F89.3Confident84.5Confident15 Ų1572.6 Ų72.67%0.06637%0.374CS..Hα-helixtrans-82.2-24.7-173.4-59.6-59.1000113.5C632 V644 R645 N647 L648 I657 V660C632-F636 HydrophobicContact CB-CD2 4.22Å; C632-F636 HydrophobicContact CB-CE2 4.42Å; C632-F636 VanDerWaalsContact O-CD2 3.23Å; C632-F636 WeakPolarHBondContact O-CD2 3.35Å; C632-F636 PolarHBondContact O-N 3.34Å; F636-V644 HydrophobicContact CB-CG1 3.93Å; F636-V644 HydrophobicContact CD2-CG1 4.25Å; F636-R645 HydrophobicContact CB-CB 4.15Å; F636-R645 WeakPolarHBondContact CB-O 3.15Å; F636-R645 WeakPolarHBondContact CG-O 3.46Å; F636-N647 VanDerWaalsContact CD1-C 3.42Å; F636-L648 HydrophobicContact CD1-CB 3.88Å; F636-L648 HydrophobicContact CE1-CB 4.17Å; F636-I657 HydrophobicContact CE1-CG2 4.3Å; F636-I657 WeakPolarHBondContact CE1-O 3.4Å; F636-V660 HydrophobicContact CE2-CG2 4.15Å; F636-V660 HydrophobicContact CZ-CG2 3.86Å
637G85.8Confident84.4Confident22 Ų2273.6 Ų73.623%0.22738%0.379CS..  trans72179.7-172.500000112.7S633 V644 R645S633-G637 VanDerWaalsContact O-CA 3.24Å; S633-G637 WeakPolarHBondContact O-CA 3.42Å; S633-G637 PolarHBondContact O-N 2.95Å; G637-V644 WeakPolarHBondContact O-CA 3.49Å; G637-R645 PolarHBondContact O-N 3.4Å
638F82.8Confident84.5Confident115 Ų11573.7 Ų73.750%0.50438%0.378SS..BIsolated β-bridgetrans-99.4147.5177.8-60.7-79.5000111.1L642 A643 V644 R645F638-L642 WeakPolarHBondContact CD1-O 3.42Å; F638-A643 CarbonylContact C-O 3.51Å; F638-A643 WeakPolarHBondContact CA-O 3.5Å; F638-V644 HydrophobicContact CD1-CG2 4.23Å; F638-V644 HydrophobicContact CE1-CG2 3.97Å; F638-R645 PolarHBondContact O-NE 3.48Å
639D77.9Confident84.6Confident77 Ų7775.3 Ų75.341%0.41238%0.377SS..  trans-83.6172.5170.4-161.819000111.3K641 L642 A643 R645D639-K641 PolarHBondContact O-N 2.91Å; D639-L642 PolarHBondContact O-N 3.42Å; D639-A643 PolarHBondContact N-O 3.43Å; D639-R645 HydrophobicContact CB-CG 4.11Å
640E76.3Confident84.8Confident189 Ų18968.8 Ų68.888%0.88335%0.352SS*.THydrogen-bonded Turntrans-56.7-21.7-179.6-65.4-178.3175.400113.2
641K75.3Confident84.7Confident185 Ų18571.8 Ų71.880%0.80438%0.38SS*.THydrogen-bonded Turntrans-9413.5176.2-60.9179.3-177.5174.20114.2D639 A643D639-K641 PolarHBondContact O-N 2.91Å; K641-A643 PolarHBondContact O-N 3.32Å
642L73.7Confident84.6Confident147 Ų14777.6 Ų77.677%0.7741%0.407SS*.SBendtrans61.116.7-175.6-65.8161.8000115F638 D639F638-L642 WeakPolarHBondContact CD1-O 3.42Å; D639-L642 PolarHBondContact O-N 3.42Å
643A76.9Confident84.6Confident55 Ų5576.5 Ų76.546%0.45540%0.399SS..PPolyproline II helixtrans-90.4149172.700000110.9F638 D639 K641 R645F638-A643 CarbonylContact C-O 3.51Å; F638-A643 WeakPolarHBondContact CA-O 3.5Å; D639-A643 PolarHBondContact N-O 3.43Å; K641-A643 PolarHBondContact O-N 3.32Å; A643-R645 PolarHBondContact O-N 2.94Å
644V78.4Confident84.7Confident62 Ų6276.7 Ų76.738%0.37640%0.399SS..BIsolated β-bridgetrans-67.4131.7178-178.10000109.7F636 G637 F638F636-V644 HydrophobicContact CB-CG1 3.93Å; F636-V644 HydrophobicContact CD2-CG1 4.25Å; G637-V644 WeakPolarHBondContact O-CA 3.49Å; F638-V644 HydrophobicContact CD1-CG2 4.23Å; F638-V644 HydrophobicContact CE1-CG2 3.97Å
645R84Confident84.9Confident123 Ų12375.9 Ų75.946%0.46439%0.392SS..PPolyproline II helixtrans-64.5148.3177.5-68.6-178.9178.4176.2-1.2110.9F636 G637 F638 D639 A643F636-R645 HydrophobicContact CB-CB 4.15Å; F636-R645 WeakPolarHBondContact CB-O 3.15Å; F636-R645 WeakPolarHBondContact CG-O 3.46Å; G637-R645 PolarHBondContact O-N 3.4Å; F638-R645 PolarHBondContact O-NE 3.48Å; D639-R645 HydrophobicContact CB-CG 4.11Å; A643-R645 PolarHBondContact O-N 2.94Å
646P84Confident85.1Confident105 Ų10576.1 Ų76.168%0.68239%0.393SS*.SBendtrans-77.3-21.4-176.430.1-35.5000113.8
647N89.1Confident85.3Confident76 Ų7675.4 Ų75.441%0.40639%0.39SS..  trans-151161.7-177.761.516.3000112.3F636 V656 I657F636-N647 VanDerWaalsContact CD1-C 3.42Å; N647-V656 HydrophobicContact CB-CG1 3.79Å; N647-I657 VanDerWaalsContact CA-O 3.27Å; N647-I657 WeakPolarHBondContact CA-O 3.03Å; N647-I657 VanDerWaalsContact CB-O 3.3Å; N647-I657 WeakPolarHBondContact CB-O 3.46Å
648L89.8Confident85.5Confident28 Ų2876.9 Ų76.915%0.14740%0.397CS..EExtended strand (participates in β ladder)trans-116.4118.8173.6174.868.9000108.4I607 V635 F636 F650 V656 I657I607-L648 HydrophobicContact CG1-CD2 4.36Å; V635-L648 HydrophobicContact CG1-CD2 4Å; F636-L648 HydrophobicContact CD1-CB 3.88Å; F636-L648 HydrophobicContact CE1-CB 4.17Å; L648-F650 HydrophobicContact CD2-CE2 4.18Å; L648-F650 HydrophobicContact CD2-CZ 4.15Å; L648-F650 HydrophobicContact CG-CE2 4.41Å; L648-V656 WeakPolarHBondContact O-CA 3.36Å; L648-I657 HydrophobicContact CB-CB 4.25Å; L648-I657 PolarHBondContact N-O 2.92Å; L648-I657 PolarHBondContact O-N 3.47Å
649R90.7Very high85.9Confident133 Ų13373 Ų7350%0.50238%0.384SS..EExtended strand (participates in β ladder)trans-104.7129.5-179.8-177.5176-180140.75.6111.3D580 N654 L655 V656D580-R649 IonicContact OD2-CZ 2.8Å; D580-R649 IonicContact OD2-NH1 3.41Å; D580-R649 PolarHBondContact OD2-NH1 3.38Å; D580-R649 IonicContact OD2-NH2 3.27Å; R649-N654 PolarHBondContact NH2-OD1 3.43Å; R649-L655 WeakPolarHBondContact CA-O 3.33Å; R649-V656 HydrophobicContact CB-CG2 4.4Å; R649-V656 HydrophobicContact CG-CG2 4.19Å
650F91.3Very high86.6Confident25 Ų2569.6 Ų69.611%0.1137%0.366CS..EExtended strand (participates in β ladder)trans-91.7114.4167.6-65.9-91000109A603 A606 L648 Q652 N654 L655 I657A603-F650 HydrophobicContact CB-CE2 4.02Å; A603-F650 HydrophobicContact CB-CZ 4.04Å; A606-F650 HydrophobicContact CB-CE1 4.01Å; A606-F650 HydrophobicContact CB-CZ 4.18Å; L648-F650 HydrophobicContact CD2-CE2 4.18Å; L648-F650 HydrophobicContact CD2-CZ 4.15Å; L648-F650 HydrophobicContact CG-CE2 4.41Å; F650-Q652 VanDerWaalsContact C-N 3.27Å; F650-Q652 PolarHBondContact O-N 3.36Å; F650-N654 WeakPolarHBondContact O-CA 3.31Å; F650-N654 PolarHBondContact O-N 2.86Å; F650-L655 HydrophobicContact CB-CB 4.21Å; F650-L655 HydrophobicContact CD2-CB 4.15Å; F650-L655 HydrophobicContact CD2-CD2 3.84Å; F650-L655 HydrophobicContact CD2-CG 4.17Å; F650-L655 HydrophobicContact CE2-CD2 4.14Å; F650-L655 PolarHBondContact N-O 2.89Å; F650-I657 HydrophobicContact CE2-CD1 4.43Å; F650-I657 HydrophobicContact CE2-CG1 3.89Å
651A87.9Confident87.3Confident80 Ų8064.1 Ų64.166%0.66134%0.343SS*.THydrogen-bonded Turntrans-70.7-22.5-173.300000113.4
652Q87.8Confident88.1Confident123 Ų12357.5 Ų57.558%0.57532%0.315SS*.THydrogen-bonded Turntrans-70.9-37.9-174.2-64.182.7-6.900112.9V596 F650V596-Q652 HydrophobicContact CG2-CB 3.93Å; F650-Q652 VanDerWaalsContact C-N 3.27Å; F650-Q652 PolarHBondContact O-N 3.36Å
653N89.4Confident88.8Confident4 Ų455.1 Ų55.12%0.02130%0.301CS..THydrogen-bonded Turntrans-129.76.7-175.865.7-9.6000113.6F579 A592 V596 F599 L655F579-N653 VanDerWaalsContact CD1-O 3.23Å; F579-N653 WeakPolarHBondContact CD1-O 3.33Å; F579-N653 HydrophobicContact CE1-CB 4.2Å; F579-N653 WeakPolarHBondContact CE1-O 3.48Å; A592-N653 WeakPolarHBondContact O-CA 3.19Å; V596-N653 HydrophobicContact CB-CB 4.28Å; V596-N653 HydrophobicContact CG2-CB 3.94Å; F599-N653 WeakPolarHBondContact CB-ND2 3.24Å; N653-L655 PolarHBondContact O-N 3.45Å; N653-L655 VanDerWaalsContact OD1-CB 3.27Å; N653-L655 WeakPolarHBondContact OD1-CB 3.26Å; N653-L655 PolarHBondContact OD1-N 3.32Å; N653-L655 VanDerWaalsContact OD1-N 3.13Å
654N90Very high89.4Confident28 Ų2853.8 Ų53.815%0.1529%0.288CS..THydrogen-bonded Turntrans59.724.6-175.9-59.3-53.8000114.9D580 R649 F650D580-N654 PolarHBondContact N-O 3.29Å; R649-N654 PolarHBondContact NH2-OD1 3.43Å; F650-N654 WeakPolarHBondContact O-CA 3.31Å; F650-N654 PolarHBondContact O-N 2.86Å
655L92.9Very high89.9Confident2 Ų253.1 Ų53.11%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-69.2130.9170.9-179.572.8000110W577 F579 F599 A603 R649 F650 N653 I657W577-L655 HydrophobicContact CB-CD1 4.08Å; W577-L655 HydrophobicContact CD2-CD1 4.25Å; W577-L655 HydrophobicContact CE3-CD1 3.8Å; W577-L655 HydrophobicContact CG-CD1 4.39Å; F579-L655 HydrophobicContact CD1-CB 4.31Å; F579-L655 HydrophobicContact CD1-CD1 4.5Å; F579-L655 HydrophobicContact CD2-CD1 4.24Å; F579-L655 HydrophobicContact CE1-CB 3.99Å; F579-L655 HydrophobicContact CE1-CD1 4.22Å; F579-L655 HydrophobicContact CE2-CD1 3.94Å; F579-L655 HydrophobicContact CZ-CB 4.44Å; F579-L655 HydrophobicContact CZ-CD1 3.94Å; F599-L655 HydrophobicContact CD2-CD1 3.8Å; F599-L655 HydrophobicContact CD2-CD2 3.83Å; F599-L655 HydrophobicContact CD2-CG 4.41Å; F599-L655 HydrophobicContact CE2-CD1 4.02Å; A603-L655 HydrophobicContact CB-CD2 3.71Å; R649-L655 WeakPolarHBondContact CA-O 3.33Å; F650-L655 HydrophobicContact CB-CB 4.21Å; F650-L655 HydrophobicContact CD2-CB 4.15Å; F650-L655 HydrophobicContact CD2-CD2 3.84Å; F650-L655 HydrophobicContact CD2-CG 4.17Å; F650-L655 HydrophobicContact CE2-CD2 4.14Å; F650-L655 PolarHBondContact N-O 2.89Å; N653-L655 PolarHBondContact O-N 3.45Å; N653-L655 VanDerWaalsContact OD1-CB 3.27Å; N653-L655 WeakPolarHBondContact OD1-CB 3.26Å; N653-L655 PolarHBondContact OD1-N 3.32Å; N653-L655 VanDerWaalsContact OD1-N 3.13Å; L655-I657 HydrophobicContact CD2-CD1 4.29Å; L655-I657 HydrophobicContact CG-CD1 4.43Å
656V93.5Very high90.1Very high4 Ų451.2 Ų51.22%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-119.3122.9176.8-179.40000109.2W577 H578 D580 N647 L648 R649W577-V656 CarbonylContact C-O 3.3Å; W577-V656 WeakPolarHBondContact CA-O 3.42Å; H578-V656 PolarHBondContact N-O 3.38Å; H578-V656 PolarHBondContact O-N 3.29Å; D580-V656 HydrophobicContact CB-CG2 3.78Å; N647-V656 HydrophobicContact CB-CG1 3.79Å; L648-V656 WeakPolarHBondContact O-CA 3.36Å; R649-V656 HydrophobicContact CB-CG2 4.4Å; R649-V656 HydrophobicContact CG-CG2 4.19Å
657I93.7Very high90.3Very high1 Ų147 Ų471%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-89.6116.7167.7-50.7-60.2000107.5N576 W577 I607 F636 N647 L648 F650 L655 V660N576-I657 CarbonylContact O-C 3.55Å; N576-I657 WeakPolarHBondContact O-CA 3.5Å; W577-I657 HydrophobicContact CB-CD1 3.7Å; I607-I657 HydrophobicContact CD1-CD1 4.35Å; I607-I657 HydrophobicContact CD1-CG1 4.11Å; I607-I657 HydrophobicContact CD1-CG2 4.49Å; F636-I657 HydrophobicContact CE1-CG2 4.3Å; F636-I657 WeakPolarHBondContact CE1-O 3.4Å; N647-I657 VanDerWaalsContact CA-O 3.27Å; N647-I657 WeakPolarHBondContact CA-O 3.03Å; N647-I657 VanDerWaalsContact CB-O 3.3Å; N647-I657 WeakPolarHBondContact CB-O 3.46Å; L648-I657 HydrophobicContact CB-CB 4.25Å; L648-I657 PolarHBondContact N-O 2.92Å; L648-I657 PolarHBondContact O-N 3.47Å; F650-I657 HydrophobicContact CE2-CD1 4.43Å; F650-I657 HydrophobicContact CE2-CG1 3.89Å; L655-I657 HydrophobicContact CD2-CD1 4.29Å; L655-I657 HydrophobicContact CG-CD1 4.43Å; I657-V660 HydrophobicContact CG2-CG2 4.37Å
658S91.3Very high90.3Very high53 Ų5345.8 Ų45.837%0.37125%0.248SC..EExtended strand (participates in β ladder)trans-90.7-35.5-175.9560000113.3N576N576-S658 WeakPolarHBondContact CB-OG 3.32Å; N576-S658 PolarHBondContact O-N 3.34Å; N576-S658 PolarHBondContact O-OG 3.3Å
659S90.8Very high90.1Very high34 Ų3447.5 Ų47.524%0.23826%0.257CS..EExtended strand (participates in β ladder)trans-153.4160175.474.90000111.5N576 D661N576-S659 PolarHBondContact N-O 3Å; N576-S659 PolarHBondContact ND2-OG 3.49Å; S659-D661 PolarHBondContact OG-OD1 3.2Å
660V92Very high89.9Confident5 Ų546 Ų463%0.0326%0.256CS..EExtended strand (participates in β ladder)trans-122.4113174-178.20000108.2L573 A574 Y575 I631 V635 F636 I657L573-V660 HydrophobicContact CD2-CG1 4.49Å; A574-V660 CarbonylContact O-C 3.6Å; A574-V660 WeakPolarHBondContact O-CA 3.29Å; Y575-V660 HydrophobicContact CD1-CB 4.44Å; Y575-V660 HydrophobicContact CD1-CG1 3.88Å; Y575-V660 HydrophobicContact CD1-CG2 4.04Å; Y575-V660 HydrophobicContact CE1-CG1 3.92Å; I631-V660 HydrophobicContact CG2-CG1 3.81Å; V635-V660 HydrophobicContact CB-CG2 4.24Å; V635-V660 HydrophobicContact CG1-CG2 3.91Å; V635-V660 HydrophobicContact CG2-CG2 4.27Å; F636-V660 HydrophobicContact CE2-CG2 4.15Å; F636-V660 HydrophobicContact CZ-CG2 3.86Å; I657-V660 HydrophobicContact CG2-CG2 4.37Å
661D91.4Very high89.6Confident74 Ų7455.2 Ų55.240%0.39629%0.29SS..EExtended strand (participates in β ladder)trans-101.5124.2-178.9-53-27.8000109.2L573 A574 N576 S659 Q663L573-D661 WeakPolarHBondContact CA-O 3.37Å; A574-D661 HydrophobicContact CB-CB 4.28Å; A574-D661 PolarHBondContact N-O 3.42Å; A574-D661 PolarHBondContact O-N 3.44Å; N576-D661 PolarHBondContact ND2-OD2 3.44Å; S659-D661 PolarHBondContact OG-OD1 3.2Å; D661-Q663 PolarHBondContact O-N 2.9Å
662I91Very high89.3Confident45 Ų4553.5 Ų53.523%0.23127%0.271CS..EExtended strand (participates in β ladder)trans-87.3108.3178-55.5166.2000107.9L573 N628 I631 V665L573-I662 HydrophobicContact CD2-CB 4.21Å; L573-I662 HydrophobicContact CD2-CG1 3.8Å; L573-I662 HydrophobicContact CD2-CG2 4.2Å; N628-I662 HydrophobicContact CB-CD1 4.24Å; I631-I662 HydrophobicContact CB-CD1 4.2Å; I631-I662 HydrophobicContact CD1-CD1 3.44Å; I631-I662 VanDerWaalsContact CD1-CD1 3.44Å; I631-I662 HydrophobicContact CD1-CG1 3.83Å; I631-I662 HydrophobicContact CG1-CD1 4.34Å; I662-V665 HydrophobicContact CG2-CG2 3.5Å; I662-V665 VanDerWaalsContact CG2-CG2 3.5Å
663Q89.1Confident89Confident98 Ų9852 Ų5246%0.45826%0.26SS..EExtended strand (participates in β ladder)trans-80.6-44.4-179.3-62.8-171-25.500111.6Q572 A574 D661Q572-Q663 HydrophobicContact CB-CB 4.08Å; Q572-Q663 WeakPolarHBondContact O-CB 3.4Å; Q572-Q663 PolarHBondContact O-N 3.49Å; A574-Q663 HydrophobicContact CB-CG 4.36Å; D661-Q663 PolarHBondContact O-N 2.9Å
664S89.3Confident88.8Confident27 Ų2754.9 Ų54.919%0.18928%0.276CS..EExtended strand (participates in β ladder)trans-153.615117571.60000112.4L571 Q572L571-S664 WeakPolarHBondContact CA-O 3.46Å; Q572-S664 WeakPolarHBondContact CB-OG 3.35Å; Q572-S664 VanDerWaalsContact CD-OG 3.27Å; Q572-S664 WeakPolarHBondContact CG-OG 3.43Å; Q572-S664 PolarHBondContact N-O 3.42Å; Q572-S664 PolarHBondContact O-N 3.23Å
665V89.5Confident88.6Confident47 Ų4756.4 Ų56.429%0.28529%0.292SS..EExtended strand (participates in β ladder)trans-128.9108.5173.8-1750000107.1L569 L571 F623 I662L569-V665 HydrophobicContact CD1-CG1 4.17Å; L571-V665 HydrophobicContact CD2-CB 4.05Å; L571-V665 HydrophobicContact CD2-CG1 3.74Å; L571-V665 HydrophobicContact CD2-CG2 3.57Å; F623-V665 HydrophobicContact CE1-CG1 4.01Å; I662-V665 HydrophobicContact CG2-CG2 3.5Å; I662-V665 VanDerWaalsContact CG2-CG2 3.5Å
666E87.6Confident88.1Confident83 Ų8358.8 Ų58.839%0.38830%0.304SS..EExtended strand (participates in β ladder)trans-122.4134.6-177.3-70-174.6-16300111.4L569 Q570 V668 R673L569-E666 CarbonylContact C-O 3.52Å; L569-E666 WeakPolarHBondContact CA-O 3.38Å; Q570-E666 PolarHBondContact N-O 3.4Å; Q570-E666 PolarHBondContact O-N 3.18Å; E666-V668 PolarHBondContact O-N 3.35Å; E666-R673 IonicContact OE2-NH2 3.6Å
667P89.1Confident87.7Confident17 Ų1764.9 Ų64.911%0.1133%0.333CS..EExtended strand (participates in β ladder)trans-61.2131.6164.8-17.429.5000110.2L569 T672 R673 L676L569-P667 HydrophobicContact CD2-CB 4.27Å; L569-P667 HydrophobicContact CD2-CG 4.32Å; P667-T672 HydrophobicContact CB-CG2 4.14Å; P667-T672 HydrophobicContact CG-CG2 4.47Å; P667-R673 PolarHBondContact O-NH2 3.17Å; P667-L676 HydrophobicContact CG-CD1 3.65Å
668V87.8Confident87.4Confident51 Ų5171.5 Ų71.531%0.30936%0.362SS..SBendtrans-71.3-37.8174.9179.20000110I560 R568 Q570 E666I560-V668 HydrophobicContact CG2-CG2 4.29Å; R568-V668 HydrophobicContact CB-CB 4.07Å; R568-V668 HydrophobicContact CB-CG2 4.25Å; R568-V668 PolarHBondContact O-N 3.06Å; Q570-V668 HydrophobicContact CB-CG2 3.97Å; E666-V668 PolarHBondContact O-N 3.35Å
669D86.6Confident87.1Confident63 Ų6372.5 Ų72.534%0.33737%0.368SS..SBendtrans-82.9121.1-178.7-64.5-46000111.5R671 T672 R673D669-R671 PolarHBondContact O-N 2.96Å; D669-T672 WeakPolarHBondContact O-CB 3.39Å; D669-T672 PolarHBondContact O-N 3.45Å; D669-T672 VanDerWaalsContact O-N 3.11Å; D669-R673 PolarHBondContact O-N 3.1Å
670Q85.8Confident86.8Confident101 Ų10175 Ų7547%0.47238%0.382SS..Hα-helixtrans-58.4-36.1-179.9-173.962.135.900112.5T672 R673 D674Q670-T672 VanDerWaalsContact C-N 3.31Å; Q670-T672 PolarHBondContact O-N 2.9Å; Q670-R673 WeakPolarHBondContact O-CB 3.31Å; Q670-R673 PolarHBondContact O-N 3.2Å; Q670-D674 PolarHBondContact NE2-OD1 2.71Å; Q670-D674 VanDerWaalsContact O-CG 3.23Å; Q670-D674 PolarHBondContact O-N 3.49Å
671R84.8Confident86.6Confident220 Ų22081 Ų8183%0.8341%0.41SS*.Hα-helixtrans-60.5-40.2177.5-68.9-177.4177.9178.6-0.1112.5D669 R673 D674 A675D669-R671 PolarHBondContact O-N 2.96Å; R671-R673 VanDerWaalsContact C-N 3.34Å; R671-D674 PolarHBondContact O-N 3.27Å; R671-A675 WeakPolarHBondContact O-CB 3.25Å; R671-A675 PolarHBondContact O-N 2.95Å
672T81.2Confident86.5Confident43 Ų4382.1 Ų82.126%0.26442%0.415SS..Hα-helixtrans-68.2-37.8178.6-51.10000110.7P667 D669 Q670 A675 L676P667-T672 HydrophobicContact CB-CG2 4.14Å; P667-T672 HydrophobicContact CG-CG2 4.47Å; D669-T672 WeakPolarHBondContact O-CB 3.39Å; D669-T672 PolarHBondContact O-N 3.45Å; D669-T672 VanDerWaalsContact O-N 3.11Å; Q670-T672 VanDerWaalsContact C-N 3.31Å; Q670-T672 PolarHBondContact O-N 2.9Å; T672-A675 PolarHBondContact O-N 3.37Å; T672-L676 HydrophobicContact CG2-CD1 4.48Å; T672-L676 WeakPolarHBondContact O-CG 3.4Å; T672-L676 PolarHBondContact O-N 3.33Å
673R82.8Confident86.2Confident92 Ų9282.4 Ų82.435%0.34742%0.424SS..Hα-helixtrans-62.6-46.9173.3-172.2-177-63177.7-10.3112.1E666 P667 D669 Q670 R671 A675 L676 Q677E666-R673 IonicContact OE2-NH2 3.6Å; P667-R673 PolarHBondContact O-NH2 3.17Å; D669-R673 PolarHBondContact O-N 3.1Å; Q670-R673 WeakPolarHBondContact O-CB 3.31Å; Q670-R673 PolarHBondContact O-N 3.2Å; R671-R673 VanDerWaalsContact C-N 3.34Å; R673-A675 VanDerWaalsContact C-N 3.29Å; R673-A675 PolarHBondContact O-N 2.93Å; R673-L676 PolarHBondContact O-N 2.97Å; R673-Q677 PolarHBondContact O-N 3.27Å
674D85.4Confident85.9Confident64 Ų6482.5 Ų82.534%0.34243%0.427SS..Hα-helixtrans-63.8-36.8178.3-60.1-19.9000111.4Q670 R671 Q677 K678Q670-D674 PolarHBondContact NE2-OD1 2.71Å; Q670-D674 VanDerWaalsContact O-CG 3.23Å; Q670-D674 PolarHBondContact O-N 3.49Å; R671-D674 PolarHBondContact O-N 3.27Å; D674-Q677 PolarHBondContact O-N 2.97Å; D674-K678 WeakPolarHBondContact O-CG 3.47Å; D674-K678 PolarHBondContact O-N 3.12Å; D674-K678 VanDerWaalsContact O-N 3.08Å
675A84.7Confident85.8Confident60 Ų6085.9 Ų85.950%0.49644%0.44SS..Hα-helixtrans-65.3-42.2175.300000112.3R671 T672 R673 K678 S679R671-A675 WeakPolarHBondContact O-CB 3.25Å; R671-A675 PolarHBondContact O-N 2.95Å; T672-A675 PolarHBondContact O-N 3.37Å; R673-A675 VanDerWaalsContact C-N 3.29Å; R673-A675 PolarHBondContact O-N 2.93Å; A675-K678 PolarHBondContact O-N 2.82Å; A675-S679 PolarHBondContact O-N 3.22Å
676L83.1Confident85.7Confident52 Ų5289.1 Ų89.127%0.27245%0.454SS..Hα-helixtrans-63.3-41.8174.1-75.7163.1000111.9F620 P667 T672 R673 K678 S679 V680F620-L676 HydrophobicContact CE1-CD1 4.4Å; F620-L676 HydrophobicContact CE1-CD2 3.9Å; F620-L676 HydrophobicContact CZ-CD1 3.8Å; F620-L676 HydrophobicContact CZ-CD2 4Å; F620-L676 HydrophobicContact CZ-CG 4.44Å; P667-L676 HydrophobicContact CG-CD1 3.65Å; T672-L676 HydrophobicContact CG2-CD1 4.48Å; T672-L676 WeakPolarHBondContact O-CG 3.4Å; T672-L676 PolarHBondContact O-N 3.33Å; R673-L676 PolarHBondContact O-N 2.97Å; L676-K678 VanDerWaalsContact C-N 3.34Å; L676-K678 PolarHBondContact O-N 3.21Å; L676-S679 WeakPolarHBondContact O-CB 3.44Å; L676-S679 PolarHBondContact O-N 3.04Å; L676-S679 VanDerWaalsContact O-N 3.12Å; L676-V680 PolarHBondContact O-N 3.5Å
677Q84.3Confident85.8Confident133 Ų13389 Ų8962%0.62146%0.459SS*.Hα-helixtrans-62.1-41.6177.8-171.8174.4-1.600112R673 D674 S679 V680 Q681R673-Q677 PolarHBondContact O-N 3.27Å; D674-Q677 PolarHBondContact O-N 2.97Å; Q677-S679 VanDerWaalsContact C-N 3.33Å; Q677-S679 PolarHBondContact O-N 3.04Å; Q677-V680 PolarHBondContact O-N 2.96Å; Q677-Q681 PolarHBondContact O-N 2.99Å
678K87.3Confident85.8Confident140 Ų14091.7 Ų91.761%0.60948%0.475SS*.Hα-helixtrans-62-39.9172.8-72.4175.9-176.71790112.1D674 A675 L676 Q681 L682D674-K678 WeakPolarHBondContact O-CG 3.47Å; D674-K678 PolarHBondContact O-N 3.12Å; D674-K678 VanDerWaalsContact O-N 3.08Å; A675-K678 PolarHBondContact O-N 2.82Å; L676-K678 VanDerWaalsContact C-N 3.34Å; L676-K678 PolarHBondContact O-N 3.21Å; K678-Q681 PolarHBondContact O-N 2.87Å; K678-L682 WeakPolarHBondContact O-CG 3.37Å; K678-L682 PolarHBondContact O-N 3.35Å
679S85.5Confident85.9Confident73 Ų7393.1 Ų93.151%0.5148%0.482SS..Hα-helixtrans-62.1-42.9176.5-178.40000112.1A675 L676 Q677 L682 A683A675-S679 PolarHBondContact O-N 3.22Å; L676-S679 WeakPolarHBondContact O-CB 3.44Å; L676-S679 PolarHBondContact O-N 3.04Å; L676-S679 VanDerWaalsContact O-N 3.12Å; Q677-S679 VanDerWaalsContact C-N 3.33Å; Q677-S679 PolarHBondContact O-N 3.04Å; S679-L682 PolarHBondContact O-N 2.97Å; S679-A683 PolarHBondContact O-N 3.17Å
680V84.8Confident86.1Confident88 Ų8893.9 Ų93.953%0.53349%0.491SS..Hα-helixtrans-65.5-42175.5175.60000111.5L676 Q677 L682 A683 I684L676-V680 PolarHBondContact O-N 3.5Å; Q677-V680 PolarHBondContact O-N 2.96Å; V680-L682 VanDerWaalsContact C-N 3.35Å; V680-L682 PolarHBondContact O-N 2.64Å; V680-A683 WeakPolarHBondContact O-CB 3.28Å; V680-A683 PolarHBondContact O-N 2.72Å; V680-I684 HydrophobicContact CG1-CD1 4.09Å; V680-I684 WeakPolarHBondContact O-CG1 3.49Å; V680-I684 PolarHBondContact O-N 3.41Å
681Q86.8Confident86.2Confident129 Ų12996.1 Ų96.160%0.60350%0.502SS*.Hα-helixtrans-59-46.4176.4-176.9175.53.500111.6Q677 K678 A683 I684 E685Q677-Q681 PolarHBondContact O-N 2.99Å; K678-Q681 PolarHBondContact O-N 2.87Å; Q681-A683 VanDerWaalsContact C-N 3.32Å; Q681-A683 PolarHBondContact O-N 2.91Å; Q681-I684 PolarHBondContact O-N 2.96Å; Q681-E685 WeakPolarHBondContact O-CB 3.48Å; Q681-E685 PolarHBondContact O-N 2.63Å
682L89.8Confident86.4Confident99 Ų9989.7 Ų89.752%0.51848%0.481SS..Hα-helixtrans-62.4-39.2175.4-71.4170.2000111.8K678 S679 V680 E685 I686K678-L682 WeakPolarHBondContact O-CG 3.37Å; K678-L682 PolarHBondContact O-N 3.35Å; S679-L682 PolarHBondContact O-N 2.97Å; V680-L682 VanDerWaalsContact C-N 3.35Å; V680-L682 PolarHBondContact O-N 2.64Å; L682-E685 PolarHBondContact O-N 3.11Å; L682-I686 WeakPolarHBondContact O-CB 3.5Å; L682-I686 WeakPolarHBondContact O-CD1 3.49Å; L682-I686 WeakPolarHBondContact O-CG1 3.29Å; L682-I686 PolarHBondContact O-N 3.47Å
683A84.6Confident86.6Confident50 Ų5089.7 Ų89.741%0.41349%0.485SS..Hα-helixtrans-62.4-44.2176.600000111.9S679 V680 Q681 I686 T687S679-A683 PolarHBondContact O-N 3.17Å; V680-A683 WeakPolarHBondContact O-CB 3.28Å; V680-A683 PolarHBondContact O-N 2.72Å; Q681-A683 VanDerWaalsContact C-N 3.32Å; Q681-A683 PolarHBondContact O-N 2.91Å; A683-I686 PolarHBondContact O-N 3.02Å; A683-T687 WeakPolarHBondContact O-CG2 3.29Å; A683-T687 PolarHBondContact O-N 2.94Å; A683-T687 PolarHBondContact O-OG1 3.48Å
684I83.3Confident86.9Confident100 Ų10088.1 Ų88.151%0.51349%0.493SS..Hα-helixtrans-62.8-46.2175.4-65.9169000110.2V680 Q681 I686 T687 T688V680-I684 HydrophobicContact CG1-CD1 4.09Å; V680-I684 WeakPolarHBondContact O-CG1 3.49Å; V680-I684 PolarHBondContact O-N 3.41Å; Q681-I684 PolarHBondContact O-N 2.96Å; I684-I686 VanDerWaalsContact C-N 3.32Å; I684-I686 PolarHBondContact O-N 3.43Å; I684-T687 WeakPolarHBondContact CA-OG1 3.44Å; I684-T687 PolarHBondContact O-N 2.98Å; I684-T687 VanDerWaalsContact O-N 3.12Å; I684-T687 PolarHBondContact O-OG1 2.87Å; I684-T688 PolarHBondContact O-N 3.08Å; I684-T688 PolarHBondContact O-OG1 3.21Å
685E88.1Confident87Confident98 Ų9888 Ų8846%0.45850%0.501SS..Hα-helixtrans-57.7-43.9177.2-174.5177179.400111.8Q681 L682 T687 T688 N689Q681-E685 WeakPolarHBondContact O-CB 3.48Å; Q681-E685 PolarHBondContact O-N 2.63Å; L682-E685 PolarHBondContact O-N 3.11Å; E685-T687 PolarHBondContact O-N 3.48Å; E685-T688 PolarHBondContact O-N 3.05Å; E685-N689 VanDerWaalsContact O-CB 3.31Å; E685-N689 WeakPolarHBondContact O-CB 3.2Å; E685-N689 PolarHBondContact O-N 2.96Å; E685-N689 PolarHBondContact O-ND2 3.32Å
686I86.6Confident87.2Confident116 Ų11692.5 Ų92.560%0.59551%0.505SS*.Hα-helixtrans-60.5-45.5174.7-68.7162.3000110.8L682 A683 I684 S690L682-I686 WeakPolarHBondContact O-CB 3.5Å; L682-I686 WeakPolarHBondContact O-CD1 3.49Å; L682-I686 WeakPolarHBondContact O-CG1 3.29Å; L682-I686 PolarHBondContact O-N 3.47Å; A683-I686 PolarHBondContact O-N 3.02Å; I684-I686 VanDerWaalsContact C-N 3.32Å; I684-I686 PolarHBondContact O-N 3.43Å; I686-S690 VanDerWaalsContact O-CB 3.29Å; I686-S690 WeakPolarHBondContact O-CB 3.38Å; I686-S690 PolarHBondContact O-N 3.3Å
687T89.8Confident87.4Confident80 Ų8096 Ų9649%0.49152%0.519SS..Hα-helixtrans-65.3-39.7178.457.70000112.7A683 I684 E685 S690 Q691A683-T687 WeakPolarHBondContact O-CG2 3.29Å; A683-T687 PolarHBondContact O-N 2.94Å; A683-T687 PolarHBondContact O-OG1 3.48Å; I684-T687 WeakPolarHBondContact CA-OG1 3.44Å; I684-T687 PolarHBondContact O-N 2.98Å; I684-T687 VanDerWaalsContact O-N 3.12Å; I684-T687 PolarHBondContact O-OG1 2.87Å; E685-T687 PolarHBondContact O-N 3.48Å; T687-S690 PolarHBondContact O-N 2.92Å; T687-Q691 WeakPolarHBondContact O-CG 3.34Å; T687-Q691 PolarHBondContact O-N 3.09Å
688T88.6Confident87.6Confident73 Ų7393.3 Ų93.345%0.44851%0.507SS..Hα-helixtrans-65.9-48.1176.8-58.40000110.9I684 E685 S690 Q691 E692I684-T688 PolarHBondContact O-N 3.08Å; I684-T688 PolarHBondContact O-OG1 3.21Å; E685-T688 PolarHBondContact O-N 3.05Å; T688-S690 VanDerWaalsContact C-N 3.28Å; T688-S690 PolarHBondContact O-N 3.44Å; T688-Q691 PolarHBondContact O-N 3.49Å; T688-Q691 VanDerWaalsContact O-N 3.16Å; T688-E692 WeakPolarHBondContact O-CB 3.48Å; T688-E692 PolarHBondContact O-N 3.32Å
689N90.2Very high87.6Confident82 Ų8289.3 Ų89.344%0.43950%0.5SS..Hα-helixtrans-61.9-37.9177.1-71.7-16.3000111.4E685 E692 A693E685-N689 VanDerWaalsContact O-CB 3.31Å; E685-N689 WeakPolarHBondContact O-CB 3.2Å; E685-N689 PolarHBondContact O-N 2.96Å; E685-N689 PolarHBondContact O-ND2 3.32Å; N689-E692 PolarHBondContact O-N 3.47Å; N689-A693 VanDerWaalsContact O-CB 3.27Å; N689-A693 WeakPolarHBondContact O-CB 3.34Å; N689-A693 PolarHBondContact O-N 3.1Å
690S90.7Very high87.8Confident78 Ų7891.2 Ų91.255%0.54550%0.501SS..Hα-helixtrans-66.1-40.9174.7-174.30000112.3I686 T687 T688 A694I686-S690 VanDerWaalsContact O-CB 3.29Å; I686-S690 WeakPolarHBondContact O-CB 3.38Å; I686-S690 PolarHBondContact O-N 3.3Å; T687-S690 PolarHBondContact O-N 2.92Å; T688-S690 VanDerWaalsContact C-N 3.28Å; T688-S690 PolarHBondContact O-N 3.44Å; S690-A694 WeakPolarHBondContact O-CB 3.34Å; S690-A694 PolarHBondContact O-N 3.46Å
691Q87.3Confident88.1Confident149 Ų14994.2 Ų94.270%0.69650%0.502SS*.Hα-helixtrans-67.9-41.3175.6-76.6-172.40.300111.7T687 T688 A694 A695T687-Q691 WeakPolarHBondContact O-CG 3.34Å; T687-Q691 PolarHBondContact O-N 3.09Å; T688-Q691 PolarHBondContact O-N 3.49Å; T688-Q691 VanDerWaalsContact O-N 3.16Å; Q691-A694 PolarHBondContact O-N 3.2Å; Q691-A695 WeakPolarHBondContact O-CB 3.46Å; Q691-A695 PolarHBondContact O-N 3.39Å
692E89.3Confident88.1Confident85 Ų8592.5 Ų92.540%0.39750%0.497SS..Hα-helixtrans-61.8-45.9175.6-173.7-179.5177.300111.1T688 N689 A694 A695 R696T688-E692 WeakPolarHBondContact O-CB 3.48Å; T688-E692 PolarHBondContact O-N 3.32Å; N689-E692 PolarHBondContact O-N 3.47Å; E692-A694 PolarHBondContact O-N 2.83Å; E692-A695 PolarHBondContact O-N 3.28Å; E692-R696 WeakPolarHBondContact O-CG 3.15Å; E692-R696 PolarHBondContact O-N 3.41Å; E692-R696 IonicContact OE1-CZ 3.09Å; E692-R696 VanDerWaalsContact OE1-CZ 3.3Å; E692-R696 IonicContact OE1-NE 3.27Å; E692-R696 PolarHBondContact OE1-NE 2.92Å; E692-R696 IonicContact OE1-NH2 2.62Å; E692-R696 PolarHBondContact OE1-NH2 3.33Å
693A86.8Confident88Confident42 Ų4292.6 Ų92.635%0.34750%0.495SS..Hα-helixtrans-61-43.1175.800000111.9N689 R696 H697N689-A693 VanDerWaalsContact O-CB 3.27Å; N689-A693 WeakPolarHBondContact O-CB 3.34Å; N689-A693 PolarHBondContact O-N 3.1Å; A693-R696 PolarHBondContact O-N 3.01Å; A693-H697 PolarHBondContact O-CD2 2.95Å; A693-H697 PolarHBondContact O-N 3.47Å
694A88.6Confident88.2Confident60 Ų6096.3 Ų96.350%0.49650%0.504SS..Hα-helixtrans-62.8-42.7176.300000112.2S690 Q691 E692 H697 E698S690-A694 WeakPolarHBondContact O-CB 3.34Å; S690-A694 PolarHBondContact O-N 3.46Å; Q691-A694 PolarHBondContact O-N 3.2Å; E692-A694 PolarHBondContact O-N 2.83Å; A694-H697 PolarHBondContact O-N 3.45Å; A694-E698 WeakPolarHBondContact O-CB 3.46Å; A694-E698 PolarHBondContact O-N 3.06Å
695A86.2Confident88.5Confident62 Ų6296.1 Ų96.151%0.51250%0.5SS..Hα-helixtrans-65.1-40.1176.800000112.3Q691 E692 E698 A699Q691-A695 WeakPolarHBondContact O-CB 3.46Å; Q691-A695 PolarHBondContact O-N 3.39Å; E692-A695 PolarHBondContact O-N 3.28Å; A695-E698 PolarHBondContact O-N 3.07Å; A695-A699 WeakPolarHBondContact O-CB 3.4Å; A695-A699 PolarHBondContact O-N 3.19Å
696R88.8Confident88.5Confident153 Ų15394.2 Ų94.258%0.57750%0.501SS*.Hα-helixtrans-62.2-47.2174.1-74.4-179.6-174.7-168.72.7111.7E692 A693 E698 A699 E700E692-R696 WeakPolarHBondContact O-CG 3.15Å; E692-R696 PolarHBondContact O-N 3.41Å; E692-R696 IonicContact OE1-CZ 3.09Å; E692-R696 VanDerWaalsContact OE1-CZ 3.3Å; E692-R696 IonicContact OE1-NE 3.27Å; E692-R696 PolarHBondContact OE1-NE 2.92Å; E692-R696 IonicContact OE1-NH2 2.62Å; E692-R696 PolarHBondContact OE1-NH2 3.33Å; A693-R696 PolarHBondContact O-N 3.01Å; R696-E698 VanDerWaalsContact C-N 3.31Å; R696-E698 PolarHBondContact O-N 3.12Å; R696-A699 PolarHBondContact O-N 2.97Å; R696-E700 WeakPolarHBondContact O-CG 3.45Å; R696-E700 PolarHBondContact O-N 3.12Å
697H88.9Confident88.6Confident126 Ų12695.6 Ų95.658%0.58350%0.499SS*.Hα-helixtrans-63-36.9177.6-76.6-49.4000113A693 A694 E700 R701A693-H697 PolarHBondContact O-CD2 2.95Å; A693-H697 PolarHBondContact O-N 3.47Å; A694-H697 PolarHBondContact O-N 3.45Å; H697-E700 IonicContact ND1-OE2 3.96Å; H697-E700 PolarHBondContact ND1-OE2 2.69Å; H697-R701 WeakPolarHBondContact O-CB 3.31Å; H697-R701 PolarHBondContact O-N 2.92Å
698E87.9Confident88.6Confident76 Ų7693.9 Ų93.936%0.35550%0.497SS..Hα-helixtrans-66.4-41.8174.7-174.657.5-147.900111.7A694 A695 R696 R701 L702A694-E698 WeakPolarHBondContact O-CB 3.46Å; A694-E698 PolarHBondContact O-N 3.06Å; A695-E698 PolarHBondContact O-N 3.07Å; R696-E698 VanDerWaalsContact C-N 3.31Å; R696-E698 PolarHBondContact O-N 3.12Å; E698-R701 VanDerWaalsContact CD-CZ 3.5Å; E698-R701 PolarHBondContact O-N 2.85Å; E698-R701 IonicContact OE1-CZ 3.7Å; E698-R701 VanDerWaalsContact OE1-CZ 3.25Å; E698-R701 IonicContact OE1-NE 2.88Å; E698-R701 PolarHBondContact OE1-NE 3.02Å; E698-R701 IonicContact OE1-NH2 3.78Å; E698-R701 PolarHBondContact OE1-NH2 2.88Å; E698-R701 IonicContact OE2-CZ 2.9Å; E698-R701 IonicContact OE2-NE 2.94Å; E698-R701 PolarHBondContact OE2-NE 3.05Å; E698-R701 IonicContact OE2-NH1 3.21Å; E698-R701 PolarHBondContact OE2-NH1 3.3Å; E698-R701 IonicContact OE2-NH2 3.14Å; E698-R701 PolarHBondContact OE2-NH2 2.93Å; E698-L702 HydrophobicContact CG-CD1 4.45Å; E698-L702 PolarHBondContact O-N 3.07Å
699A87.4Confident88.7Confident56 Ų5695.7 Ų95.746%0.46350%0.499SS..Hα-helixtrans-62.8-45174.900000112.1A695 R696 R701 L702 E703A695-A699 WeakPolarHBondContact O-CB 3.4Å; A695-A699 PolarHBondContact O-N 3.19Å; R696-A699 PolarHBondContact O-N 2.97Å; A699-R701 VanDerWaalsContact C-N 3.32Å; A699-R701 PolarHBondContact O-N 3.21Å; A699-L702 PolarHBondContact O-N 3.24Å; A699-E703 WeakPolarHBondContact O-CB 3.31Å; A699-E703 PolarHBondContact O-N 2.82Å
700E89.8Confident88.6Confident114 Ų11497 Ų9753%0.53351%0.506SS..Hα-helixtrans-60.9-40.2175.2-74.1174.117200111.8R696 H697 E703 Q704R696-E700 WeakPolarHBondContact O-CG 3.45Å; R696-E700 PolarHBondContact O-N 3.12Å; H697-E700 IonicContact ND1-OE2 3.96Å; H697-E700 PolarHBondContact ND1-OE2 2.69Å; E700-E703 PolarHBondContact O-N 3.34Å; E700-Q704 WeakPolarHBondContact O-CB 3.2Å; E700-Q704 PolarHBondContact O-N 2.89Å
701R90.3Very high88.5Confident150 Ų15098 Ų9857%0.56650%0.501SS*.Hα-helixtrans-62.6-47.1176.1-173-177.875.2178.28.1111.7H697 E698 A699 Q704 E705H697-R701 WeakPolarHBondContact O-CB 3.31Å; H697-R701 PolarHBondContact O-N 2.92Å; E698-R701 VanDerWaalsContact CD-CZ 3.5Å; E698-R701 PolarHBondContact O-N 2.85Å; E698-R701 IonicContact OE1-CZ 3.7Å; E698-R701 VanDerWaalsContact OE1-CZ 3.25Å; E698-R701 IonicContact OE1-NE 2.88Å; E698-R701 PolarHBondContact OE1-NE 3.02Å; E698-R701 IonicContact OE1-NH2 3.78Å; E698-R701 PolarHBondContact OE1-NH2 2.88Å; E698-R701 IonicContact OE2-CZ 2.9Å; E698-R701 IonicContact OE2-NE 2.94Å; E698-R701 PolarHBondContact OE2-NE 3.05Å; E698-R701 IonicContact OE2-NH1 3.21Å; E698-R701 PolarHBondContact OE2-NH1 3.3Å; E698-R701 IonicContact OE2-NH2 3.14Å; E698-R701 PolarHBondContact OE2-NH2 2.93Å; A699-R701 VanDerWaalsContact C-N 3.32Å; A699-R701 PolarHBondContact O-N 3.21Å; R701-Q704 PolarHBondContact O-N 2.89Å; R701-E705 PolarHBondContact O-N 2.78Å
702L87.5Confident88.4Confident94 Ų9499.6 Ų99.649%0.49250%0.501SS..Hα-helixtrans-63-41.3177.1-78.3165.7000111.8E698 A699 E705 A706E698-L702 HydrophobicContact CG-CD1 4.45Å; E698-L702 PolarHBondContact O-N 3.07Å; A699-L702 PolarHBondContact O-N 3.24Å; L702-E705 PolarHBondContact O-N 3.47Å; L702-A706 WeakPolarHBondContact O-CB 3.38Å; L702-A706 PolarHBondContact O-N 3.28Å
703E87.4Confident88.3Confident100 Ų100101 Ų10147%0.46751%0.508SS..Hα-helixtrans-62.2-43.8175.7-175.4174.5-175.100111.3A699 E700 A706 R707A699-E703 WeakPolarHBondContact O-CB 3.31Å; A699-E703 PolarHBondContact O-N 2.82Å; E700-E703 PolarHBondContact O-N 3.34Å; E703-A706 PolarHBondContact O-N 2.89Å; E703-R707 WeakPolarHBondContact O-CB 3.29Å; E703-R707 WeakPolarHBondContact O-CG 3.32Å; E703-R707 PolarHBondContact O-N 3.17Å; E703-R707 IonicContact OE1-CZ 4Å; E703-R707 VanDerWaalsContact OE1-CZ 3.26Å; E703-R707 IonicContact OE1-NE 2.82Å; E703-R707 PolarHBondContact OE1-NE 2.98Å; E703-R707 IonicContact OE1-NH2 2.8Å; E703-R707 PolarHBondContact OE1-NH2 2.94Å
704Q88.2Confident88.5Confident129 Ų129104 Ų10460%0.60351%0.513SS*.Hα-helixtrans-66.7-38.9178.2-168.966.9-3.600112.2E700 R701 G708E700-Q704 WeakPolarHBondContact O-CB 3.2Å; E700-Q704 PolarHBondContact O-N 2.89Å; R701-Q704 PolarHBondContact O-N 2.89Å; Q704-G708 PolarHBondContact O-N 2.98Å
705E89.5Confident88.5Confident95 Ų95105.9 Ų105.944%0.44451%0.514SS..Hα-helixtrans-63.3-43.9173.5-170.8-173.2164.700111.4R701 L702 G708 K709R701-E705 PolarHBondContact O-N 2.78Å; L702-E705 PolarHBondContact O-N 3.47Å; E705-G708 PolarHBondContact O-N 2.98Å; E705-K709 WeakPolarHBondContact O-CG 3.23Å; E705-K709 PolarHBondContact O-N 3.5Å; E705-K709 WeakPolarHBondContact OE1-CE 3.06Å; E705-K709 IonicContact OE1-NZ 3.79Å; E705-K709 PolarHBondContact OE1-NZ 3.4Å
706A87.9Confident88.7Confident58 Ų58106 Ų10648%0.47951%0.508SS..Hα-helixtrans-63.3-45.5177.300000111.8L702 E703 G708 K709 L710L702-A706 WeakPolarHBondContact O-CB 3.38Å; L702-A706 PolarHBondContact O-N 3.28Å; E703-A706 PolarHBondContact O-N 2.89Å; A706-G708 PolarHBondContact O-N 2.92Å; A706-K709 PolarHBondContact O-N 2.98Å; A706-L710 WeakPolarHBondContact O-CB 3.21Å; A706-L710 PolarHBondContact O-N 2.88Å
707R90.1Very high88.7Confident145 Ų145103.6 Ų103.655%0.54751%0.507SS..Hα-helixtrans-60.6-43.8174.4-74.4179.7-176.9-167.82.4111.7E703 K709 L710 E711E703-R707 WeakPolarHBondContact O-CB 3.29Å; E703-R707 WeakPolarHBondContact O-CG 3.32Å; E703-R707 PolarHBondContact O-N 3.17Å; E703-R707 IonicContact OE1-CZ 4Å; E703-R707 VanDerWaalsContact OE1-CZ 3.26Å; E703-R707 IonicContact OE1-NE 2.82Å; E703-R707 PolarHBondContact OE1-NE 2.98Å; E703-R707 IonicContact OE1-NH2 2.8Å; E703-R707 PolarHBondContact OE1-NH2 2.94Å; R707-K709 PolarHBondContact O-N 3.01Å; R707-L710 PolarHBondContact O-N 3.44Å; R707-E711 PolarHBondContact O-N 2.79Å
708G89.7Confident88.8Confident44 Ų44102.9 Ų102.945%0.45450%0.504SS..Hα-helixtrans-61.8-41.7176.100000113Q704 E705 A706 R712Q704-G708 PolarHBondContact O-N 2.98Å; E705-G708 PolarHBondContact O-N 2.98Å; A706-G708 PolarHBondContact O-N 2.92Å; G708-R712 WeakPolarHBondContact O-CB 3.27Å; G708-R712 PolarHBondContact O-N 3.44Å; G708-R712 VanDerWaalsContact O-N 3.08Å
709K89.7Confident88.7Confident112 Ų112101.2 Ų101.249%0.48750%0.503SS..Hα-helixtrans-64.7-43.5174.7-76.5176.8-174.31660112.2E705 A706 R707 R712 Q713E705-K709 WeakPolarHBondContact O-CG 3.23Å; E705-K709 PolarHBondContact O-N 3.5Å; E705-K709 WeakPolarHBondContact OE1-CE 3.06Å; E705-K709 IonicContact OE1-NZ 3.79Å; E705-K709 PolarHBondContact OE1-NZ 3.4Å; A706-K709 PolarHBondContact O-N 2.98Å; R707-K709 PolarHBondContact O-N 3.01Å; K709-R712 PolarHBondContact O-N 3.09Å; K709-Q713 WeakPolarHBondContact O-CG 3.33Å; K709-Q713 PolarHBondContact O-N 2.8Å
710L87.9Confident88.8Confident110 Ų110104.2 Ų104.258%0.57651%0.507SS*.Hα-helixtrans-62.8-47.7178.6-171.693.9000111.6A706 R707 R712 Q713 K714A706-L710 WeakPolarHBondContact O-CB 3.21Å; A706-L710 PolarHBondContact O-N 2.88Å; R707-L710 PolarHBondContact O-N 3.44Å; L710-R712 VanDerWaalsContact C-N 3.31Å; L710-R712 PolarHBondContact O-N 3.42Å; L710-Q713 WeakPolarHBondContact O-CB 3.48Å; L710-Q713 PolarHBondContact O-N 3.27Å; L710-K714 WeakPolarHBondContact O-CB 3.29Å; L710-K714 PolarHBondContact O-N 2.85Å
711E88.5Confident88.7Confident97 Ų97101.6 Ų101.645%0.45351%0.505SS..Hα-helixtrans-62.1-40.1177-85.5-65.3159.900111.5R707 Q713 K714 I715R707-E711 PolarHBondContact O-N 2.79Å; E711-Q713 PolarHBondContact O-N 3.41Å; E711-K714 PolarHBondContact O-N 3.36Å; E711-I715 WeakPolarHBondContact O-CG1 3.39Å; E711-I715 PolarHBondContact O-N 3.18Å
712R86.4Confident88.5Confident183 Ų18399.3 Ų99.369%0.69150%0.501SS*.Hα-helixtrans-61.6-43.7174.2-164.8-177.875.9170.84.6111.9G708 K709 L710 I715 T716G708-R712 WeakPolarHBondContact O-CB 3.27Å; G708-R712 PolarHBondContact O-N 3.44Å; G708-R712 VanDerWaalsContact O-N 3.08Å; K709-R712 PolarHBondContact O-N 3.09Å; L710-R712 VanDerWaalsContact C-N 3.31Å; L710-R712 PolarHBondContact O-N 3.42Å; R712-I715 PolarHBondContact O-N 3.05Å; R712-T716 WeakPolarHBondContact O-CG2 3.39Å; R712-T716 PolarHBondContact O-N 2.8Å; R712-T716 PolarHBondContact O-OG1 3.48Å
713Q87.1Confident88.4Confident116 Ų116102.4 Ų102.454%0.54251%0.506SS..Hα-helixtrans-61.8-43.7175.5-78.7176.8-20.900111.6K709 L710 E711 I715 T716 D717K709-Q713 WeakPolarHBondContact O-CG 3.33Å; K709-Q713 PolarHBondContact O-N 2.8Å; L710-Q713 WeakPolarHBondContact O-CB 3.48Å; L710-Q713 PolarHBondContact O-N 3.27Å; E711-Q713 PolarHBondContact O-N 3.41Å; Q713-I715 VanDerWaalsContact C-N 3.32Å; Q713-I715 PolarHBondContact O-N 2.83Å; Q713-T716 VanDerWaalsContact CA-OG1 3.31Å; Q713-T716 WeakPolarHBondContact CA-OG1 3.46Å; Q713-T716 PolarHBondContact O-N 3.21Å; Q713-T716 VanDerWaalsContact O-N 3.15Å; Q713-T716 PolarHBondContact O-OG1 2.92Å; Q713-D717 PolarHBondContact O-N 2.94Å
714K91.1Very high88.4Confident104 Ų104100.3 Ų100.345%0.45251%0.506SS..Hα-helixtrans-60.7-41.4177-172.1179.7177.9-173.40112.2L710 E711 D717 Q718L710-K714 WeakPolarHBondContact O-CB 3.29Å; L710-K714 PolarHBondContact O-N 2.85Å; E711-K714 PolarHBondContact O-N 3.36Å; K714-D717 PolarHBondContact O-N 2.91Å; K714-Q718 WeakPolarHBondContact O-CB 3.28Å; K714-Q718 VanDerWaalsContact O-CG 3.26Å; K714-Q718 WeakPolarHBondContact O-CG 3.45Å; K714-Q718 PolarHBondContact O-N 2.91Å
715I88.1Confident88.4Confident100 Ų100101 Ų10151%0.51350%0.503SS..Hα-helixtrans-66-40.5175.5-67.7168.7000111E711 R712 Q713 Q718 A719E711-I715 WeakPolarHBondContact O-CG1 3.39Å; E711-I715 PolarHBondContact O-N 3.18Å; R712-I715 PolarHBondContact O-N 3.05Å; Q713-I715 VanDerWaalsContact C-N 3.32Å; Q713-I715 PolarHBondContact O-N 2.83Å; I715-Q718 PolarHBondContact O-N 2.84Å; I715-A719 VanDerWaalsContact O-CB 3.32Å; I715-A719 WeakPolarHBondContact O-CB 3.42Å; I715-A719 PolarHBondContact O-N 2.99Å
716T90.7Very high88.3Confident65 Ų65102.6 Ų102.640%0.39951%0.509SS..Hα-helixtrans-64.6-42.8176.7500000111.8R712 Q713 Q718 A719 E720R712-T716 WeakPolarHBondContact O-CG2 3.39Å; R712-T716 PolarHBondContact O-N 2.8Å; R712-T716 PolarHBondContact O-OG1 3.48Å; Q713-T716 VanDerWaalsContact CA-OG1 3.31Å; Q713-T716 WeakPolarHBondContact CA-OG1 3.46Å; Q713-T716 PolarHBondContact O-N 3.21Å; Q713-T716 VanDerWaalsContact O-N 3.15Å; Q713-T716 PolarHBondContact O-OG1 2.92Å; T716-Q718 PolarHBondContact O-N 3.07Å; T716-A719 PolarHBondContact O-N 3.33Å; T716-E720 PolarHBondContact O-N 2.78Å
717D89.7Confident88.3Confident102 Ų102106 Ų10655%0.54551%0.514SS..Hα-helixtrans-64-42.6177.7-64.4-10.6000110.9Q713 K714 E720 A721Q713-D717 PolarHBondContact O-N 2.94Å; K714-D717 PolarHBondContact O-N 2.91Å; D717-E720 PolarHBondContact O-N 3.32Å; D717-A721 WeakPolarHBondContact O-CB 3.39Å; D717-A721 PolarHBondContact O-N 2.82Å
718Q89.6Confident88.1Confident110 Ų110103.5 Ų103.551%0.51451%0.512SS..Hα-helixtrans-63-40.7174-75.8177.2-6.700112.1K714 I715 T716 A721 E722K714-Q718 WeakPolarHBondContact O-CB 3.28Å; K714-Q718 VanDerWaalsContact O-CG 3.26Å; K714-Q718 WeakPolarHBondContact O-CG 3.45Å; K714-Q718 PolarHBondContact O-N 2.91Å; I715-Q718 PolarHBondContact O-N 2.84Å; T716-Q718 PolarHBondContact O-N 3.07Å; Q718-A721 PolarHBondContact O-N 2.98Å; Q718-E722 WeakPolarHBondContact O-CB 3.28Å; Q718-E722 WeakPolarHBondContact O-CG 3.46Å; Q718-E722 PolarHBondContact O-N 2.72Å
719A87.4Confident88Confident42 Ų42105.9 Ų105.935%0.34751%0.513SS..Hα-helixtrans-65.6-38.4176.900000112I715 T716 E722 R723I715-A719 VanDerWaalsContact O-CB 3.32Å; I715-A719 WeakPolarHBondContact O-CB 3.42Å; I715-A719 PolarHBondContact O-N 2.99Å; T716-A719 PolarHBondContact O-N 3.33Å; A719-E722 PolarHBondContact O-N 2.88Å; A719-R723 WeakPolarHBondContact O-CG 3.49Å; A719-R723 PolarHBondContact O-N 3.22Å
720E87.8Confident88Confident118 Ų118105.1 Ų105.155%0.55151%0.511SS*.Hα-helixtrans-66.9-42.9173.6-74.7-177.5-177.700112.1T716 D717 E722 R723 A724T716-E720 PolarHBondContact O-N 2.78Å; D717-E720 PolarHBondContact O-N 3.32Å; E720-E722 VanDerWaalsContact C-N 3.33Å; E720-E722 PolarHBondContact O-N 3.07Å; E720-R723 WeakPolarHBondContact O-CB 3.38Å; E720-R723 PolarHBondContact O-N 2.94Å; E720-A724 PolarHBondContact O-N 2.95Å
721A88.4Confident87.9Confident59 Ų59105.1 Ų105.149%0.48851%0.512SS..Hα-helixtrans-60.1-43174.200000111.7D717 Q718 A724 R725D717-A721 WeakPolarHBondContact O-CB 3.39Å; D717-A721 PolarHBondContact O-N 2.82Å; Q718-A721 PolarHBondContact O-N 2.98Å; A721-A724 PolarHBondContact O-N 2.81Å; A721-R725 VanDerWaalsContact O-CB 3.31Å; A721-R725 WeakPolarHBondContact O-CB 3.48Å; A721-R725 PolarHBondContact O-N 2.84Å
722E85.3Confident87.8Confident102 Ų102105.8 Ų105.848%0.47752%0.515SS..Hα-helixtrans-68.9-30.8176.7-75.6-63149.900112.8Q718 A719 E720 R725 K726Q718-E722 WeakPolarHBondContact O-CB 3.28Å; Q718-E722 WeakPolarHBondContact O-CG 3.46Å; Q718-E722 PolarHBondContact O-N 2.72Å; A719-E722 PolarHBondContact O-N 2.88Å; E720-E722 VanDerWaalsContact C-N 3.33Å; E720-E722 PolarHBondContact O-N 3.07Å; E722-R725 PolarHBondContact O-N 2.89Å; E722-R725 IonicContact OE1-NH1 3.25Å; E722-R725 PolarHBondContact OE1-NH1 2.95Å; E722-K726 PolarHBondContact O-N 2.84Å
723R87.3Confident87.7Confident159 Ų159100 Ų10060%0.651%0.506SS*.Hα-helixtrans-63.1-49.4170.2-75.8-178.7-164.7128.22.3111.6A719 E720 R725 K726 E727A719-R723 WeakPolarHBondContact O-CG 3.49Å; A719-R723 PolarHBondContact O-N 3.22Å; E720-R723 WeakPolarHBondContact O-CB 3.38Å; E720-R723 PolarHBondContact O-N 2.94Å; R723-R725 VanDerWaalsContact C-N 3.26Å; R723-R725 PolarHBondContact O-N 2.91Å; R723-K726 WeakPolarHBondContact O-CB 3.21Å; R723-K726 PolarHBondContact O-N 2.96Å; R723-E727 PolarHBondContact O-N 3.05Å
724A85.9Confident87.7Confident56 Ų5699.6 Ų99.646%0.46351%0.507SS..Hα-helixtrans-62.6-36.9176.500000111.6E720 A721 E727 L728E720-A724 PolarHBondContact O-N 2.95Å; A721-A724 PolarHBondContact O-N 2.81Å; A724-E727 PolarHBondContact O-N 2.88Å; A724-L728 PolarHBondContact O-N 2.94Å
725R88.1Confident87.4Confident145 Ų14598.3 Ų98.355%0.54751%0.511SS..Hα-helixtrans-64.4-38.6175.2-165.9-179.7-170.5175.82.3112.3A721 E722 R723 L728 L729A721-R725 VanDerWaalsContact O-CB 3.31Å; A721-R725 WeakPolarHBondContact O-CB 3.48Å; A721-R725 PolarHBondContact O-N 2.84Å; E722-R725 PolarHBondContact O-N 2.89Å; E722-R725 IonicContact OE1-NH1 3.25Å; E722-R725 PolarHBondContact OE1-NH1 2.95Å; R723-R725 VanDerWaalsContact C-N 3.26Å; R723-R725 PolarHBondContact O-N 2.91Å; R725-L728 PolarHBondContact O-N 2.88Å; R725-L729 HydrophobicContact CG-CD1 4.33Å; R725-L729 WeakPolarHBondContact O-CB 3.35Å; R725-L729 VanDerWaalsContact O-CG 3.32Å; R725-L729 WeakPolarHBondContact O-CG 3.37Å; R725-L729 PolarHBondContact O-N 2.96Å
726K88.8Confident87.4Confident128 Ų12896 Ų9656%0.55751%0.507SS*.Hα-helixtrans-60.3-46.1173.6-173.4-173.5-179.8-100.90111.2E722 R723 L728 L729 E730E722-K726 PolarHBondContact O-N 2.84Å; R723-K726 WeakPolarHBondContact O-CB 3.21Å; R723-K726 PolarHBondContact O-N 2.96Å; K726-L728 VanDerWaalsContact C-N 3.34Å; K726-L728 PolarHBondContact O-N 2.8Å; K726-L729 PolarHBondContact O-N 3Å; K726-E730 WeakPolarHBondContact CE-OE1 3.27Å; K726-E730 IonicContact NZ-OE1 2.8Å; K726-E730 PolarHBondContact NZ-OE1 3.45Å; K726-E730 WeakPolarHBondContact O-CG 3.36Å; K726-E730 PolarHBondContact O-N 2.8Å
727E87.7Confident87.2Confident128 Ų12896.2 Ų96.260%0.59851%0.511SS*.Hα-helixtrans-61.5-42.7177.2-68.4177.5-178.800111.6R723 A724 E730 L731R723-E727 PolarHBondContact O-N 3.05Å; A724-E727 PolarHBondContact O-N 2.88Å; E727-E730 PolarHBondContact O-N 2.84Å; E727-L731 WeakPolarHBondContact O-CG 3.43Å; E727-L731 PolarHBondContact O-N 2.82Å
728L85.9Confident87.1Confident94 Ų9496 Ų9649%0.49251%0.514SS..Hα-helixtrans-61.8-44.4174.6-175.7140.9000111.8A724 R725 K726 E730 L731 E732A724-L728 PolarHBondContact O-N 2.94Å; R725-L728 PolarHBondContact O-N 2.88Å; K726-L728 VanDerWaalsContact C-N 3.34Å; K726-L728 PolarHBondContact O-N 2.8Å; L728-E730 VanDerWaalsContact C-N 3.34Å; L728-E730 PolarHBondContact O-N 3.37Å; L728-L731 PolarHBondContact O-N 3.32Å; L728-E732 HydrophobicContact CD2-CG 4.13Å; L728-E732 WeakPolarHBondContact CD2-OE1 3.25Å; L728-E732 WeakPolarHBondContact O-CG 3.28Å; L728-E732 PolarHBondContact O-N 2.88Å
729L87.6Confident86.8Confident93 Ų9397.9 Ų97.949%0.48752%0.522SS..Hα-helixtrans-63.8-36.5176.4-75.6169000112.5R725 K726 E732 A733R725-L729 HydrophobicContact CG-CD1 4.33Å; R725-L729 WeakPolarHBondContact O-CB 3.35Å; R725-L729 VanDerWaalsContact O-CG 3.32Å; R725-L729 WeakPolarHBondContact O-CG 3.37Å; R725-L729 PolarHBondContact O-N 2.96Å; K726-L729 PolarHBondContact O-N 3Å; L729-E732 PolarHBondContact O-N 3.11Å; L729-A733 VanDerWaalsContact O-CB 3.28Å; L729-A733 WeakPolarHBondContact O-CB 3.5Å; L729-A733 PolarHBondContact O-N 3.33Å
730E87.9Confident86.8Confident96 Ų9699.7 Ų99.745%0.44953%0.533SS..Hα-helixtrans-64-43.3173.6-76.4176.1-171.900111.4K726 E727 L728 A733 L734K726-E730 WeakPolarHBondContact CE-OE1 3.27Å; K726-E730 IonicContact NZ-OE1 2.8Å; K726-E730 PolarHBondContact NZ-OE1 3.45Å; K726-E730 WeakPolarHBondContact O-CG 3.36Å; K726-E730 PolarHBondContact O-N 2.8Å; E727-E730 PolarHBondContact O-N 2.84Å; L728-E730 VanDerWaalsContact C-N 3.34Å; L728-E730 PolarHBondContact O-N 3.37Å; E730-A733 PolarHBondContact O-N 3.32Å; E730-L734 WeakPolarHBondContact O-CB 3.44Å; E730-L734 WeakPolarHBondContact O-CG 3.42Å; E730-L734 PolarHBondContact O-N 3.39Å
731L87.4Confident86.7Confident111 Ų11198 Ų9858%0.58153%0.53SS*.Hα-helixtrans-66.8-39.3175.6-71.4171.9000112.5E727 L728 L734 S735E727-L731 WeakPolarHBondContact O-CG 3.43Å; E727-L731 PolarHBondContact O-N 2.82Å; L728-L731 PolarHBondContact O-N 3.32Å; L731-L734 PolarHBondContact O-N 3.3Å; L731-S735 WeakPolarHBondContact O-CB 3.29Å; L731-S735 PolarHBondContact O-N 3.17Å; L731-S735 PolarHBondContact O-OG 2.92Å
732E85.6Confident86.6Confident110 Ų11097 Ų9751%0.51453%0.526SS..Hα-helixtrans-63.6-44.1173.3-77.9-176165.100111.1L728 L729 S735 A736L728-E732 HydrophobicContact CD2-CG 4.13Å; L728-E732 WeakPolarHBondContact CD2-OE1 3.25Å; L728-E732 WeakPolarHBondContact O-CG 3.28Å; L728-E732 PolarHBondContact O-N 2.88Å; L729-E732 PolarHBondContact O-N 3.11Å; E732-S735 PolarHBondContact O-N 3.29Å; E732-A736 WeakPolarHBondContact O-CB 3.5Å; E732-A736 PolarHBondContact O-N 3.14Å
733A85.5Confident86.6Confident62 Ų6295.1 Ų95.151%0.51253%0.528SS..Hα-helixtrans-64.3-40.9176.500000112.1L729 E730 A736 S737L729-A733 VanDerWaalsContact O-CB 3.28Å; L729-A733 WeakPolarHBondContact O-CB 3.5Å; L729-A733 PolarHBondContact O-N 3.33Å; E730-A733 PolarHBondContact O-N 3.32Å; A733-A736 PolarHBondContact O-N 2.78Å; A733-S737 WeakPolarHBondContact O-CB 3.4Å; A733-S737 PolarHBondContact O-N 3.03Å
734L86.6Confident86.4Confident108 Ų10890.2 Ų90.257%0.56552%0.521SS*.Hα-helixtrans-61-45.1172.1-84.6159.4000111.4E730 L731 S737 V738E730-L734 WeakPolarHBondContact O-CB 3.44Å; E730-L734 WeakPolarHBondContact O-CG 3.42Å; E730-L734 PolarHBondContact O-N 3.39Å; L731-L734 PolarHBondContact O-N 3.3Å; L734-S737 WeakPolarHBondContact O-CB 3.25Å; L734-S737 PolarHBondContact O-N 3.04Å; L734-V738 WeakPolarHBondContact O-CG2 3.42Å; L734-V738 PolarHBondContact O-N 3.45Å
735S84.4Confident86.4Confident76 Ų7694.1 Ų94.153%0.53153%0.528SS..Hα-helixtrans-63.5-45.2178.2-59.20000111.4L731 E732 S737 V738 E739L731-S735 WeakPolarHBondContact O-CB 3.29Å; L731-S735 PolarHBondContact O-N 3.17Å; L731-S735 PolarHBondContact O-OG 2.92Å; E732-S735 PolarHBondContact O-N 3.29Å; S735-S737 VanDerWaalsContact C-N 3.32Å; S735-S737 PolarHBondContact O-N 2.8Å; S735-V738 PolarHBondContact O-N 2.99Å; S735-E739 WeakPolarHBondContact O-CB 3.43Å; S735-E739 PolarHBondContact O-N 3.13Å
736A87.6Confident86Confident53 Ų5389.9 Ų89.944%0.43852%0.524SS..Hα-helixtrans-62.7-37.4174.800000112.1E732 A733 E739 S740E732-A736 WeakPolarHBondContact O-CB 3.5Å; E732-A736 PolarHBondContact O-N 3.14Å; A733-A736 PolarHBondContact O-N 2.78Å; A736-E739 PolarHBondContact O-N 3.35Å; A736-S740 VanDerWaalsContact O-CB 3.28Å; A736-S740 WeakPolarHBondContact O-CB 3.46Å; A736-S740 PolarHBondContact O-N 2.82Å
737S87.4Confident85.8Confident68 Ų6889.7 Ų89.748%0.47653%0.525SS..Hα-helixtrans-65.4-42.3173.8-177.50000111.8A733 L734 S735 T741A733-S737 WeakPolarHBondContact O-CB 3.4Å; A733-S737 PolarHBondContact O-N 3.03Å; L734-S737 WeakPolarHBondContact O-CB 3.25Å; L734-S737 PolarHBondContact O-N 3.04Å; S735-S737 VanDerWaalsContact C-N 3.32Å; S735-S737 PolarHBondContact O-N 2.8Å; S737-T741 WeakPolarHBondContact O-CB 3.48Å; S737-T741 VanDerWaalsContact O-CG2 3.28Å; S737-T741 WeakPolarHBondContact O-CG2 3.22Å; S737-T741 PolarHBondContact O-N 3.18Å; S737-T741 PolarHBondContact O-OG1 3.01Å
738V86.8Confident85.6Confident99 Ų9986.3 Ų86.360%0.652%0.519SS*.Hα-helixtrans-65.8-41.7176171.80000110.7L734 S735 T741 G742L734-V738 WeakPolarHBondContact O-CG2 3.42Å; L734-V738 PolarHBondContact O-N 3.45Å; S735-V738 PolarHBondContact O-N 2.99Å; V738-T741 WeakPolarHBondContact CA-OG1 3.32Å; V738-T741 PolarHBondContact O-OG1 2.81Å; V738-G742 WeakPolarHBondContact O-CA 3.43Å; V738-G742 PolarHBondContact O-N 3.45Å
739E84.2Confident85.6Confident148 Ų14887.6 Ų87.669%0.69252%0.522SS*.Hα-helixtrans-62.7-48.5176.2-173.4178.1-171.300111.5S735 A736 G742 A743S735-E739 WeakPolarHBondContact O-CB 3.43Å; S735-E739 PolarHBondContact O-N 3.13Å; A736-E739 PolarHBondContact O-N 3.35Å; E739-G742 PolarHBondContact O-N 2.83Å; E739-A743 WeakPolarHBondContact O-CB 3.17Å; E739-A743 PolarHBondContact O-N 2.8Å
740S87.1Confident85.4Confident81 Ų8187 Ų8757%0.56653%0.526SS*.Hα-helixtrans-63.4-45.8179-178.30000112.3A736 A743 A744A736-S740 VanDerWaalsContact O-CB 3.28Å; A736-S740 WeakPolarHBondContact O-CB 3.46Å; A736-S740 PolarHBondContact O-N 2.82Å; S740-A743 PolarHBondContact O-N 2.62Å; S740-A744 WeakPolarHBondContact O-CB 3.38Å; S740-A744 PolarHBondContact O-N 2.85Å
741T84.3Confident85.2Confident82 Ų8288.2 Ų88.250%0.50353%0.532SS..Hα-helixtrans-67.5-36.2176.2540000112.1S737 V738 K745S737-T741 WeakPolarHBondContact O-CB 3.48Å; S737-T741 VanDerWaalsContact O-CG2 3.28Å; S737-T741 WeakPolarHBondContact O-CG2 3.22Å; S737-T741 PolarHBondContact O-N 3.18Å; S737-T741 PolarHBondContact O-OG1 3.01Å; V738-T741 WeakPolarHBondContact CA-OG1 3.32Å; V738-T741 PolarHBondContact O-OG1 2.81Å; T741-K745 WeakPolarHBondContact O-CB 3.36Å; T741-K745 PolarHBondContact O-N 2.9Å
742G86.6Confident85.1Confident39 Ų3986 Ų8640%0.40253%0.529SS..Hα-helixtrans-62.2-48.3173.700000112.2V738 E739 K745 A746V738-G742 WeakPolarHBondContact O-CA 3.43Å; V738-G742 PolarHBondContact O-N 3.45Å; E739-G742 PolarHBondContact O-N 2.83Å; G742-K745 PolarHBondContact O-N 3.44Å; G742-A746 VanDerWaalsContact O-CB 3.29Å; G742-A746 WeakPolarHBondContact O-CB 3.46Å; G742-A746 PolarHBondContact O-N 2.79Å
743A84.8Confident85Confident61 Ų6184.4 Ų84.450%0.50452%0.522SS..Hα-helixtrans-61.3-50.5176.900000111.6E739 S740 K745 A746 E747E739-A743 WeakPolarHBondContact O-CB 3.17Å; E739-A743 PolarHBondContact O-N 2.8Å; S740-A743 PolarHBondContact O-N 2.62Å; A743-K745 PolarHBondContact O-N 2.88Å; A743-A746 PolarHBondContact O-N 3.14Å; A743-E747 WeakPolarHBondContact O-CB 3.16Å; A743-E747 PolarHBondContact O-N 3.29Å
744A83.9Confident85Confident57 Ų5783.3 Ų83.347%0.47151%0.513SS..Hα-helixtrans-62.8-40.117900000112.4S740 A748S740-A744 WeakPolarHBondContact O-CB 3.38Å; S740-A744 PolarHBondContact O-N 2.85Å; A744-A748 VanDerWaalsContact O-CB 3.27Å; A744-A748 WeakPolarHBondContact O-CB 3.46Å; A744-A748 PolarHBondContact O-N 2.85Å
745K85.4Confident85Confident137 Ų13780.6 Ų80.660%0.59651%0.506SS*.Hα-helixtrans-67.1-42.5177-174.7177.6-179.2-178.70111.7T741 G742 A743 A748 Q749T741-K745 WeakPolarHBondContact O-CB 3.36Å; T741-K745 PolarHBondContact O-N 2.9Å; G742-K745 PolarHBondContact O-N 3.44Å; A743-K745 PolarHBondContact O-N 2.88Å; K745-A748 PolarHBondContact O-N 3.02Å; K745-Q749 HydrophobicContact CG-CG 4.49Å; K745-Q749 WeakPolarHBondContact O-CB 3.43Å; K745-Q749 VanDerWaalsContact O-CG 3.29Å; K745-Q749 WeakPolarHBondContact O-CG 3.4Å; K745-Q749 PolarHBondContact O-N 3.44Å
746A81.2Confident85.1Confident56 Ų5683.6 Ų83.646%0.46351%0.506SS..Hα-helixtrans-63-43.717700000111.4G742 A743 Q749 S750G742-A746 VanDerWaalsContact O-CB 3.29Å; G742-A746 WeakPolarHBondContact O-CB 3.46Å; G742-A746 PolarHBondContact O-N 2.79Å; A743-A746 PolarHBondContact O-N 3.14Å; A746-Q749 PolarHBondContact O-N 2.94Å; A746-S750 WeakPolarHBondContact O-CB 3.41Å; A746-S750 PolarHBondContact O-N 2.95Å
747E83.9Confident85Confident124 Ų12485.7 Ų85.758%0.57951%0.509SS*.Hα-helixtrans-64.4-46.2176.4-171.7173.9-174.400111.8A743 Q749 S750 Q751A743-E747 WeakPolarHBondContact O-CB 3.16Å; A743-E747 PolarHBondContact O-N 3.29Å; E747-Q749 PolarHBondContact O-N 2.84Å; E747-S750 PolarHBondContact O-N 2.96Å; E747-Q751 WeakPolarHBondContact O-CG 3.44Å; E747-Q751 PolarHBondContact O-N 2.98Å
748A82.8Confident84.8Confident57 Ų5790.7 Ų90.747%0.47152%0.517SS..Hα-helixtrans-62.4-41.6177.300000112.4A744 K745 Q751 A752A744-A748 VanDerWaalsContact O-CB 3.27Å; A744-A748 WeakPolarHBondContact O-CB 3.46Å; A744-A748 PolarHBondContact O-N 2.85Å; K745-A748 PolarHBondContact O-N 3.02Å; A748-Q751 PolarHBondContact O-N 3.19Å; A748-A752 WeakPolarHBondContact O-CB 3.28Å; A748-A752 PolarHBondContact O-N 2.84Å
749Q86.4Confident84.7Confident122 Ų12287.8 Ų87.857%0.5751%0.507SS*.Hα-helixtrans-64.5-41.3175-76-178.7-17.100111.8K745 A746 E747 A752 E753K745-Q749 HydrophobicContact CG-CG 4.49Å; K745-Q749 WeakPolarHBondContact O-CB 3.43Å; K745-Q749 VanDerWaalsContact O-CG 3.29Å; K745-Q749 WeakPolarHBondContact O-CG 3.4Å; K745-Q749 PolarHBondContact O-N 3.44Å; A746-Q749 PolarHBondContact O-N 2.94Å; E747-Q749 PolarHBondContact O-N 2.84Å; Q749-A752 PolarHBondContact O-N 3.25Å; Q749-E753 WeakPolarHBondContact O-CB 3.5Å; Q749-E753 PolarHBondContact O-N 2.91Å
750S83.8Confident84.8Confident81 Ų8185.9 Ų85.957%0.56650%0.498SS*.Hα-helixtrans-62.6-44.8175.7-174.20000112A746 E747 E753 A754A746-S750 WeakPolarHBondContact O-CB 3.41Å; A746-S750 PolarHBondContact O-N 2.95Å; E747-S750 PolarHBondContact O-N 2.96Å; S750-E753 PolarHBondContact O-N 2.85Å; S750-A754 WeakPolarHBondContact O-CB 3.45Å; S750-A754 PolarHBondContact O-N 3.5Å
751Q84.2Confident84.6Confident121 Ų12184.7 Ų84.757%0.56549%0.493SS*.Hα-helixtrans-64.7-43.1176.4-74-175.4800112.4E747 A748 E753 A754 A755E747-Q751 WeakPolarHBondContact O-CG 3.44Å; E747-Q751 PolarHBondContact O-N 2.98Å; A748-Q751 PolarHBondContact O-N 3.19Å; Q751-E753 VanDerWaalsContact C-N 3.33Å; Q751-E753 PolarHBondContact O-N 2.77Å; Q751-A754 PolarHBondContact O-N 2.91Å; Q751-A755 WeakPolarHBondContact O-CB 3.38Å; Q751-A755 PolarHBondContact O-N 2.91Å
752A84Confident84.7Confident63 Ų6383.3 Ų83.352%0.52149%0.49SS..Hα-helixtrans-61.4-42.7177.100000111.5A748 Q749 A755 R756A748-A752 WeakPolarHBondContact O-CB 3.28Å; A748-A752 PolarHBondContact O-N 2.84Å; Q749-A752 PolarHBondContact O-N 3.25Å; A752-A755 PolarHBondContact O-N 3.24Å; A752-R756 WeakPolarHBondContact O-CB 3.4Å; A752-R756 PolarHBondContact O-N 2.96Å
753E84.3Confident84.7Confident77 Ų7785.2 Ų85.236%0.3649%0.494SS..Hα-helixtrans-67.1-42.5177.3-171.355.6-15100111.9Q749 S750 Q751 A755 R756 I757Q749-E753 WeakPolarHBondContact O-CB 3.5Å; Q749-E753 PolarHBondContact O-N 2.91Å; S750-E753 PolarHBondContact O-N 2.85Å; Q751-E753 VanDerWaalsContact C-N 3.33Å; Q751-E753 PolarHBondContact O-N 2.77Å; E753-A755 VanDerWaalsContact C-N 3.29Å; E753-A755 PolarHBondContact O-N 2.82Å; E753-R756 WeakPolarHBondContact O-CB 3.43Å; E753-R756 PolarHBondContact O-N 3.45Å; E753-R756 IonicContact OE1-CZ 3.52Å; E753-R756 VanDerWaalsContact OE1-CZ 3.27Å; E753-R756 IonicContact OE1-NE 3.41Å; E753-R756 PolarHBondContact OE1-NE 2.84Å; E753-R756 VanDerWaalsContact OE1-NE 3.11Å; E753-R756 IonicContact OE1-NH2 3.58Å; E753-R756 PolarHBondContact OE1-NH2 2.88Å; E753-R756 IonicContact OE2-CZ 3.94Å; E753-R756 IonicContact OE2-NE 2.97Å; E753-R756 PolarHBondContact OE2-NE 2.81Å; E753-R756 IonicContact OE2-NH2 3.7Å; E753-R756 PolarHBondContact OE2-NH2 2.84Å; E753-I757 WeakPolarHBondContact O-CG1 3.32Å; E753-I757 PolarHBondContact O-N 3.14Å
754A84.8Confident84.7Confident39 Ų3986.6 Ų86.632%0.32249%0.493SS..Hα-helixtrans-62.4-35.3173.900000112.6S750 Q751 R758S750-A754 WeakPolarHBondContact O-CB 3.45Å; S750-A754 PolarHBondContact O-N 3.5Å; Q751-A754 PolarHBondContact O-N 2.91Å; A754-R758 WeakPolarHBondContact O-CB 3.41Å; A754-R758 PolarHBondContact O-N 2.92Å; A754-R758 PolarHBondContact O-NE 3.14Å
755A86.4Confident84.8Confident52 Ų5288.9 Ų88.943%0.4349%0.494SS..Hα-helixtrans-70.9-39.2174.400000111.9Q751 A752 E753 R758 G759Q751-A755 WeakPolarHBondContact O-CB 3.38Å; Q751-A755 PolarHBondContact O-N 2.91Å; A752-A755 PolarHBondContact O-N 3.24Å; E753-A755 VanDerWaalsContact C-N 3.29Å; E753-A755 PolarHBondContact O-N 2.82Å; A755-R758 PolarHBondContact O-N 3.07Å; A755-G759 PolarHBondContact O-N 2.82Å
756R88.3Confident84.7Confident138 Ų13885.1 Ų85.152%0.52149%0.488SS..Hα-helixtrans-58.5-50.7174.8-174175.977.6130.40.4111.5A752 E753 R758 G759 E760A752-R756 WeakPolarHBondContact O-CB 3.4Å; A752-R756 PolarHBondContact O-N 2.96Å; E753-R756 WeakPolarHBondContact O-CB 3.43Å; E753-R756 PolarHBondContact O-N 3.45Å; E753-R756 IonicContact OE1-CZ 3.52Å; E753-R756 VanDerWaalsContact OE1-CZ 3.27Å; E753-R756 IonicContact OE1-NE 3.41Å; E753-R756 PolarHBondContact OE1-NE 2.84Å; E753-R756 VanDerWaalsContact OE1-NE 3.11Å; E753-R756 IonicContact OE1-NH2 3.58Å; E753-R756 PolarHBondContact OE1-NH2 2.88Å; E753-R756 IonicContact OE2-CZ 3.94Å; E753-R756 IonicContact OE2-NE 2.97Å; E753-R756 PolarHBondContact OE2-NE 2.81Å; E753-R756 IonicContact OE2-NH2 3.7Å; E753-R756 PolarHBondContact OE2-NH2 2.84Å; R756-R758 VanDerWaalsContact C-N 3.34Å; R756-R758 PolarHBondContact O-N 2.69Å; R756-G759 PolarHBondContact O-N 3.04Å; R756-G759 VanDerWaalsContact O-N 3.15Å; R756-E760 PolarHBondContact O-N 2.69Å
757I83.9Confident85Confident98 Ų9889 Ų8950%0.50349%0.494SS..Hα-helixtrans-60.2-44.2177.7-65.3170.6000110.8E753 G759 E760 A761E753-I757 WeakPolarHBondContact O-CG1 3.32Å; E753-I757 PolarHBondContact O-N 3.14Å; I757-G759 VanDerWaalsContact C-N 3.35Å; I757-G759 PolarHBondContact O-N 3.25Å; I757-E760 PolarHBondContact O-N 2.9Å; I757-A761 WeakPolarHBondContact O-CB 3.02Å; I757-A761 PolarHBondContact O-N 2.92Å
758R83.4Confident85.1Confident172 Ų17288.7 Ų88.765%0.64950%0.496SS*.Hα-helixtrans-61-41.5175.4-87.8-176.6-89.3155-10.5112.5A754 A755 R756 A761 A762A754-R758 WeakPolarHBondContact O-CB 3.41Å; A754-R758 PolarHBondContact O-N 2.92Å; A754-R758 PolarHBondContact O-NE 3.14Å; A755-R758 PolarHBondContact O-N 3.07Å; R756-R758 VanDerWaalsContact C-N 3.34Å; R756-R758 PolarHBondContact O-N 2.69Å; R758-A761 PolarHBondContact O-N 3.28Å; R758-A762 WeakPolarHBondContact O-CB 3.43Å; R758-A762 PolarHBondContact O-N 3Å
759G84.8Confident85.3Confident38 Ų3891.8 Ų91.839%0.39250%0.499SS..Hα-helixtrans-62.4-47.2176.400000112.6A755 R756 I757 A762 V763A755-G759 PolarHBondContact O-N 2.82Å; R756-G759 PolarHBondContact O-N 3.04Å; R756-G759 VanDerWaalsContact O-N 3.15Å; I757-G759 VanDerWaalsContact C-N 3.35Å; I757-G759 PolarHBondContact O-N 3.25Å; G759-A762 PolarHBondContact O-N 3.5Å; G759-V763 WeakPolarHBondContact O-CG2 3.24Å; G759-V763 PolarHBondContact O-N 2.76Å
760E87.3Confident85.2Confident109 Ų10988.6 Ų88.651%0.50949%0.494SS..Hα-helixtrans-62.7-42.4176.6-71.5178.9179.800112.1R756 I757 V763 N764R756-E760 PolarHBondContact O-N 2.69Å; I757-E760 PolarHBondContact O-N 2.9Å; E760-V763 PolarHBondContact O-N 2.81Å; E760-N764 PolarHBondContact O-N 3.41Å; E760-N764 VanDerWaalsContact O-N 3.08Å; E760-N764 PolarHBondContact O-ND2 3.13Å
761A81.8Confident85.2Confident55 Ų5589.4 Ų89.446%0.45549%0.488SS..Hα-helixtrans-62.1-44.1175.600000112.1I757 R758 V763 N764 E765I757-A761 WeakPolarHBondContact O-CB 3.02Å; I757-A761 PolarHBondContact O-N 2.92Å; R758-A761 PolarHBondContact O-N 3.28Å; A761-V763 PolarHBondContact O-N 2.87Å; A761-N764 PolarHBondContact O-N 3.03Å; A761-E765 PolarHBondContact O-N 2.82Å
762A86.8Confident85.1Confident53 Ų5386.4 Ų86.444%0.43848%0.484SS..Hα-helixtrans-63.9-38.5178.100000112.5R758 G759 N764 E765 A766R758-A762 WeakPolarHBondContact O-CB 3.43Å; R758-A762 PolarHBondContact O-N 3Å; G759-A762 PolarHBondContact O-N 3.5Å; A762-N764 VanDerWaalsContact C-N 3.34Å; A762-E765 PolarHBondContact O-N 2.8Å; A762-A766 WeakPolarHBondContact O-CB 3.2Å; A762-A766 PolarHBondContact O-N 2.94Å
763V86.4Confident85.1Confident80 Ų8089.8 Ų89.849%0.48549%0.489SS..Hα-helixtrans-63.1-42.2173.9170.70000111G759 E760 A761 A766 K767G759-V763 WeakPolarHBondContact O-CG2 3.24Å; G759-V763 PolarHBondContact O-N 2.76Å; E760-V763 PolarHBondContact O-N 2.81Å; A761-V763 PolarHBondContact O-N 2.87Å; V763-A766 PolarHBondContact O-N 2.7Å; V763-K767 WeakPolarHBondContact O-CG 3.11Å; V763-K767 PolarHBondContact O-N 2.98Å
764N84.5Confident85.3Confident90 Ų9092.4 Ų92.448%0.48150%0.496SS..Hα-helixtrans-67.2-41.4177.1-72.4-22.4000112E760 A761 A762 A766 K767 L768E760-N764 PolarHBondContact O-N 3.41Å; E760-N764 VanDerWaalsContact O-N 3.08Å; E760-N764 PolarHBondContact O-ND2 3.13Å; A761-N764 PolarHBondContact O-N 3.03Å; A762-N764 VanDerWaalsContact C-N 3.34Å; N764-A766 VanDerWaalsContact C-N 3.34Å; N764-A766 PolarHBondContact O-N 3.17Å; N764-K767 PolarHBondContact O-N 3.3Å; N764-L768 WeakPolarHBondContact O-CG 3.35Å; N764-L768 PolarHBondContact O-N 2.95Å
765E86.4Confident85.2Confident105 Ų10595.5 Ų95.549%0.49151%0.506SS..Hα-helixtrans-60-44.3173.7-167.2-166.3151.400111.3A761 A762 K767 L768 K769A761-E765 PolarHBondContact O-N 2.82Å; A762-E765 PolarHBondContact O-N 2.8Å; E765-K767 PolarHBondContact O-N 2.81Å; E765-L768 PolarHBondContact O-N 2.79Å; E765-K769 PolarHBondContact O-N 2.83Å; E765-K769 IonicContact OE1-NZ 3.72Å; E765-K769 PolarHBondContact OE1-NZ 2.82Å
766A84.3Confident85Confident58 Ų5899.8 Ų99.848%0.47952%0.517SS..Hα-helixtrans-63-40.1177.100000112.4A762 V763 N764 K769 A770A762-A766 WeakPolarHBondContact O-CB 3.2Å; A762-A766 PolarHBondContact O-N 2.94Å; V763-A766 PolarHBondContact O-N 2.7Å; N764-A766 VanDerWaalsContact C-N 3.34Å; N764-A766 PolarHBondContact O-N 3.17Å; A766-K769 PolarHBondContact O-N 2.89Å; A766-A770 WeakPolarHBondContact O-CB 3.3Å; A766-A770 PolarHBondContact O-N 2.91Å
767K86.3Confident84.7Confident136 Ų13695.9 Ų95.959%0.59151%0.514SS*.Hα-helixtrans-60.8-46.9174.1-77.4177-178.7174.60111.8V763 N764 E765 A770 E771V763-K767 WeakPolarHBondContact O-CG 3.11Å; V763-K767 PolarHBondContact O-N 2.98Å; N764-K767 PolarHBondContact O-N 3.3Å; E765-K767 PolarHBondContact O-N 2.81Å; K767-A770 PolarHBondContact O-N 2.82Å; K767-E771 PolarHBondContact O-N 2.99Å
768L86Confident84.9Confident119 Ų11996.5 Ų96.562%0.62352%0.515SS*.Hα-helixtrans-64.5-40.4178.4-70.6170.5000111.9N764 E765 E771 A772N764-L768 WeakPolarHBondContact O-CG 3.35Å; N764-L768 PolarHBondContact O-N 2.95Å; E765-L768 PolarHBondContact O-N 2.79Å; L768-E771 PolarHBondContact O-N 3.38Å; L768-A772 WeakPolarHBondContact O-CB 3.49Å; L768-A772 PolarHBondContact O-N 3.11Å
769K86.6Confident84.8Confident122 Ų12291 Ų9153%0.5351%0.506SS..Hα-helixtrans-62.5-44173.5-88.4175171.7158.80112.4E765 A766 E771 A772 Q773E765-K769 PolarHBondContact O-N 2.83Å; E765-K769 IonicContact OE1-NZ 3.72Å; E765-K769 PolarHBondContact OE1-NZ 2.82Å; A766-K769 PolarHBondContact O-N 2.89Å; K769-E771 VanDerWaalsContact C-N 3.32Å; K769-E771 PolarHBondContact O-N 2.78Å; K769-A772 PolarHBondContact O-N 2.88Å; K769-Q773 WeakPolarHBondContact O-CG 3.35Å; K769-Q773 PolarHBondContact O-N 2.96Å
770A84.5Confident84.7Confident55 Ų5595 Ų9546%0.45552%0.515SS..Hα-helixtrans-63.7-39.1177.200000111.7A766 K767 Q773 R774A766-A770 WeakPolarHBondContact O-CB 3.3Å; A766-A770 PolarHBondContact O-N 2.91Å; K767-A770 PolarHBondContact O-N 2.82Å; A770-Q773 PolarHBondContact O-N 2.88Å; A770-R774 WeakPolarHBondContact O-CB 3.49Å; A770-R774 PolarHBondContact O-N 3.23Å
771E84.8Confident84.6Confident98 Ų9895.9 Ų95.946%0.45852%0.522SS..Hα-helixtrans-66.5-41.3175.4-174156.9-140.800112.2K767 L768 K769 R774 I775K767-E771 PolarHBondContact O-N 2.99Å; L768-E771 PolarHBondContact O-N 3.38Å; K769-E771 VanDerWaalsContact C-N 3.32Å; K769-E771 PolarHBondContact O-N 2.78Å; E771-R774 PolarHBondContact O-N 2.82Å; E771-R774 IonicContact OE1-NH2 2.64Å; E771-R774 PolarHBondContact OE1-NH2 2.67Å; E771-R774 VanDerWaalsContact OE1-NH2 3.07Å; E771-I775 HydrophobicContact CG-CD1 4.4Å; E771-I775 WeakPolarHBondContact O-CG1 3.4Å; E771-I775 PolarHBondContact O-N 2.89Å; E771-I775 VanDerWaalsContact O-N 3.09Å
772A82.2Confident84.7Confident57 Ų5799.5 Ų99.547%0.47153%0.53SS..Hα-helixtrans-61.1-46.8173.400000112.1L768 K769 R774 I775 E776L768-A772 WeakPolarHBondContact O-CB 3.49Å; L768-A772 PolarHBondContact O-N 3.11Å; K769-A772 PolarHBondContact O-N 2.88Å; A772-R774 VanDerWaalsContact C-N 3.33Å; A772-R774 PolarHBondContact O-N 3.45Å; A772-I775 PolarHBondContact O-N 2.95Å; A772-E776 PolarHBondContact O-N 3.24Å
773Q84.5Confident84.5Confident135 Ų135106.4 Ų106.463%0.63155%0.545SS*.Hα-helixtrans-62-38.5175.9-75.9-178.8-17.300112.4K769 A770 E776 A777K769-Q773 WeakPolarHBondContact O-CG 3.35Å; K769-Q773 PolarHBondContact O-N 2.96Å; A770-Q773 PolarHBondContact O-N 2.88Å; Q773-E776 PolarHBondContact O-N 3Å; Q773-A777 WeakPolarHBondContact O-CB 3.45Å; Q773-A777 PolarHBondContact O-N 3.11Å
774R86.6Confident84.3Confident132 Ų132107.6 Ų107.650%0.49855%0.547SS..Hα-helixtrans-60.8-46.3175.8-174.3-172.765.8-170.7-7.3111.2A770 E771 A772 E776 A777 E778A770-R774 WeakPolarHBondContact O-CB 3.49Å; A770-R774 PolarHBondContact O-N 3.23Å; E771-R774 PolarHBondContact O-N 2.82Å; E771-R774 IonicContact OE1-NH2 2.64Å; E771-R774 PolarHBondContact OE1-NH2 2.67Å; E771-R774 VanDerWaalsContact OE1-NH2 3.07Å; A772-R774 VanDerWaalsContact C-N 3.33Å; A772-R774 PolarHBondContact O-N 3.45Å; R774-E776 VanDerWaalsContact C-N 3.35Å; R774-A777 PolarHBondContact O-N 3.03Å; R774-E778 WeakPolarHBondContact O-CB 3.44Å; R774-E778 WeakPolarHBondContact O-CG 3.5Å; R774-E778 PolarHBondContact O-N 2.87Å
775I83.6Confident84.2Confident103 Ų103106.2 Ų106.253%0.52855%0.545SS..Hα-helixtrans-62.4-43.6179-67.3166.5000110.8E771 A772 E778 A779E771-I775 HydrophobicContact CG-CD1 4.4Å; E771-I775 WeakPolarHBondContact O-CG1 3.4Å; E771-I775 PolarHBondContact O-N 2.89Å; E771-I775 VanDerWaalsContact O-N 3.09Å; A772-I775 PolarHBondContact O-N 2.95Å; I775-E778 PolarHBondContact O-N 3.43Å; I775-A779 PolarHBondContact O-N 3.45Å; I775-A779 VanDerWaalsContact O-N 3.1Å
776E81.4Confident84.1Confident143 Ų143108 Ų10867%0.66855%0.551SS**Hα-helixtrans-62.1-47177.9-168.5172-163.500111.6A772 Q773 R774 A779 E780A772-E776 PolarHBondContact O-N 3.24Å; Q773-E776 PolarHBondContact O-N 3Å; R774-E776 VanDerWaalsContact C-N 3.35Å; E776-A779 PolarHBondContact O-N 3.42Å; E776-E780 PolarHBondContact O-N 3.1Å
777A83.1Confident84Confident56 Ų56108 Ų10846%0.46355%0.551SS.*Hα-helixtrans-65-39.1177.700000113.1Q773 R774 E780 L781Q773-A777 WeakPolarHBondContact O-CB 3.45Å; Q773-A777 PolarHBondContact O-N 3.11Å; R774-A777 PolarHBondContact O-N 3.03Å; A777-E780 PolarHBondContact O-N 2.88Å; A777-L781 WeakPolarHBondContact O-CB 3.45Å; A777-L781 PolarHBondContact O-N 2.75Å
778E86.9Confident83.7Confident111 Ų111110.2 Ų110.252%0.51956%0.556SS.*Hα-helixtrans-63.1-40.9175.5-80.9177.4-172.600112R774 I775 L781 Q782R774-E778 WeakPolarHBondContact O-CB 3.44Å; R774-E778 WeakPolarHBondContact O-CG 3.5Å; R774-E778 PolarHBondContact O-N 2.87Å; I775-E778 PolarHBondContact O-N 3.43Å; E778-L781 PolarHBondContact O-N 2.83Å; E778-Q782 PolarHBondContact O-N 2.91Å
779A82Confident83.6Confident57 Ų57111.3 Ų111.347%0.47156%0.558SS.*Hα-helixtrans-65.3-40.2176.100000112I775 E776 Q782 R783I775-A779 PolarHBondContact O-N 3.45Å; I775-A779 VanDerWaalsContact O-N 3.1Å; E776-A779 PolarHBondContact O-N 3.42Å; A779-Q782 PolarHBondContact O-N 2.81Å; A779-R783 PolarHBondContact O-N 2.86Å; A779-R783 VanDerWaalsContact O-N 3.12Å
780E83.6Confident83.3Confident122 Ų122113 Ų11357%0.5757%0.568SS**Hα-helixtrans-67.3-41.7176.6-164.3169.6-155.300112E776 A777 Q782 R783 L784E776-E780 PolarHBondContact O-N 3.1Å; A777-E780 PolarHBondContact O-N 2.88Å; E780-Q782 PolarHBondContact O-N 3.18Å; E780-R783 WeakPolarHBondContact O-CB 3.29Å; E780-R783 PolarHBondContact O-N 2.7Å; E780-L784 HydrophobicContact CG-CD1 4.45Å; E780-L784 PolarHBondContact O-N 3.29Å
781L84.5Confident83.1Confident126 Ų126115.5 Ų115.566%0.6657%0.57SS**Hα-helixtrans-60.2-44.1174.2-16799.9000111.6A777 E778 R783 L784 S785A777-L781 WeakPolarHBondContact O-CB 3.45Å; A777-L781 PolarHBondContact O-N 2.75Å; E778-L781 PolarHBondContact O-N 2.83Å; L781-R783 VanDerWaalsContact C-N 3.33Å; L781-R783 PolarHBondContact O-N 3.11Å; L781-L784 PolarHBondContact O-N 3.08Å; L781-S785 WeakPolarHBondContact O-CB 3.37Å; L781-S785 PolarHBondContact O-N 2.67Å
782Q84.2Confident83Confident131 Ų131115.9 Ų115.961%0.61257%0.574SS**Hα-helixtrans-60-43.4175.7-82-172.2-3.900111.7E778 A779 E780 S785 K786E778-Q782 PolarHBondContact O-N 2.91Å; A779-Q782 PolarHBondContact O-N 2.81Å; E780-Q782 PolarHBondContact O-N 3.18Å; Q782-S785 PolarHBondContact O-N 3.45Å; Q782-S785 PolarHBondContact O-OG 3.23Å; Q782-K786 PolarHBondContact O-N 2.98Å
783R82.3Confident83Confident199 Ų199114.8 Ų114.875%0.75157%0.569SS**Hα-helixtrans-61.2-45.6177-171.1-173.5129.3-179.1-4.1111.6A779 E780 L781 A787A779-R783 PolarHBondContact O-N 2.86Å; A779-R783 VanDerWaalsContact O-N 3.12Å; E780-R783 WeakPolarHBondContact O-CB 3.29Å; E780-R783 PolarHBondContact O-N 2.7Å; L781-R783 VanDerWaalsContact C-N 3.33Å; L781-R783 PolarHBondContact O-N 3.11Å; R783-A787 PolarHBondContact O-N 2.92Å
784L82.9Confident82.7Confident104 Ų104116.2 Ų116.255%0.54557%0.57SS.*Hα-helixtrans-65.2-40.3177.3-81.4162.1000112.6E780 L781 A787 R788E780-L784 HydrophobicContact CG-CD1 4.45Å; E780-L784 PolarHBondContact O-N 3.29Å; L781-L784 PolarHBondContact O-N 3.08Å; L784-A787 PolarHBondContact O-N 3.33Å; L784-R788 PolarHBondContact O-N 2.84Å
785S82.4Confident82.4Confident62 Ų62115.5 Ų115.543%0.43457%0.57SS.*Hα-helixtrans-61.2-46.9179.576.10000112L781 Q782 A787 R788 E789L781-S785 WeakPolarHBondContact O-CB 3.37Å; L781-S785 PolarHBondContact O-N 2.67Å; Q782-S785 PolarHBondContact O-N 3.45Å; Q782-S785 PolarHBondContact O-OG 3.23Å; S785-A787 VanDerWaalsContact C-N 3.34Å; S785-A787 PolarHBondContact O-N 3.14Å; S785-R788 PolarHBondContact O-N 3.25Å; S785-E789 WeakPolarHBondContact O-CB 3.41Å; S785-E789 PolarHBondContact O-N 3.49Å
786K83.4Confident82.2Confident142 Ų142117.4 Ų117.462%0.61758%0.575SS**Hα-helixtrans-63.2-39.4177.9-74.4-174.8176.9179.50112.2Q782 E789 Q790Q782-K786 PolarHBondContact O-N 2.98Å; K786-E789 PolarHBondContact O-N 2.89Å; K786-Q790 PolarHBondContact O-N 3.33Å
787A83Confident82.2Confident58 Ų58117.6 Ų117.648%0.47958%0.575SS.*Hα-helixtrans-64-46.2176.500000111.6R783 L784 S785 Q790 E791R783-A787 PolarHBondContact O-N 2.92Å; L784-A787 PolarHBondContact O-N 3.33Å; S785-A787 VanDerWaalsContact C-N 3.34Å; S785-A787 PolarHBondContact O-N 3.14Å; A787-Q790 PolarHBondContact O-N 2.77Å; A787-E791 PolarHBondContact O-N 2.8Å
788R80Confident82.2Confident182 Ų182119 Ų11969%0.68758%0.575SS**Hα-helixtrans-66.3-36.9176.7-78.1-159.3176-173.61.9113L784 S785 Q790 E791 L792L784-R788 PolarHBondContact O-N 2.84Å; S785-R788 PolarHBondContact O-N 3.25Å; R788-Q790 VanDerWaalsContact C-N 3.33Å; R788-Q790 PolarHBondContact O-N 2.82Å; R788-E791 PolarHBondContact O-N 2.87Å; R788-L792 WeakPolarHBondContact O-CB 3.49Å; R788-L792 PolarHBondContact O-N 3.1Å
789E83.3Confident81.9Confident142 Ų142118.7 Ų118.766%0.66458%0.577SS**Hα-helixtrans-62.3-40.5178-166.1173.2-155.600111.7S785 K786 L792 G793S785-E789 WeakPolarHBondContact O-CB 3.41Å; S785-E789 PolarHBondContact O-N 3.49Å; K786-E789 PolarHBondContact O-N 2.89Å; E789-L792 PolarHBondContact O-N 2.87Å; E789-G793 PolarHBondContact O-N 3.48Å
790Q79.6Confident81.9Confident159 Ų159125.2 Ų125.274%0.74359%0.589SS**Hα-helixtrans-63.9-42172.3-73.1-169.3-1400112.6K786 A787 R788 G793 Y794K786-Q790 PolarHBondContact O-N 3.33Å; A787-Q790 PolarHBondContact O-N 2.77Å; R788-Q790 VanDerWaalsContact C-N 3.33Å; R788-Q790 PolarHBondContact O-N 2.82Å; Q790-G793 PolarHBondContact O-N 3.09Å; Q790-Y794 PolarHBondContact O-N 3.29Å
791E82Confident81.8Confident106 Ų106125.4 Ų125.450%0.49559%0.593SS.*Hα-helixtrans-65-39.7178-153.8-161.6149.900112A787 R788 Y794 K795A787-E791 PolarHBondContact O-N 2.8Å; R788-E791 PolarHBondContact O-N 2.87Å; E791-Y794 PolarHBondContact O-N 2.84Å; E791-K795 PolarHBondContact O-N 3.47Å; E791-K795 VanDerWaalsContact O-N 3.1Å; E791-K795 IonicContact OE1-NZ 2.73Å; E791-K795 PolarHBondContact OE1-NZ 3.07Å
792L81.6Confident81.7Confident106 Ų106124.3 Ų124.356%0.55559%0.585SS**Hα-helixtrans-67.1-38.3176.2-126.4154.3000111.8R788 E789 K795 K796R788-L792 WeakPolarHBondContact O-CB 3.49Å; R788-L792 PolarHBondContact O-N 3.1Å; E789-L792 PolarHBondContact O-N 2.87Å; L792-K795 PolarHBondContact O-N 3.11Å; L792-K796 WeakPolarHBondContact O-CB 3.44Å; L792-K796 PolarHBondContact O-N 3.16Å
793G82.2Confident81.5Confident35 Ų35122.4 Ų122.436%0.36158%0.582SS.*Hα-helixtrans-60-47.417300000112.1E789 Q790 K795 K796 E797E789-G793 PolarHBondContact O-N 3.48Å; Q790-G793 PolarHBondContact O-N 3.09Å; G793-K795 PolarHBondContact O-N 3.31Å; G793-K796 PolarHBondContact O-N 2.81Å; G793-E797 PolarHBondContact O-N 2.79Å; G793-E797 VanDerWaalsContact O-N 3.16Å
794Y78.8Confident81.6Confident164 Ų164117.3 Ų117.364%0.64357%0.567SS**Hα-helixtrans-60.6-44.9177.1-177.3-105000112.6Q790 E791 E797 L798Q790-Y794 PolarHBondContact O-N 3.29Å; E791-Y794 PolarHBondContact O-N 2.84Å; Y794-E797 PolarHBondContact O-N 3.02Å; Y794-L798 HydrophobicContact CD1-CD1 4.29Å; Y794-L798 HydrophobicContact CE1-CD1 3.67Å; Y794-L798 PolarHBondContact O-N 3.01Å
795K80.4Confident81.5Confident117 Ų117118.6 Ų118.651%0.50957%0.568SS.*Hα-helixtrans-63.4-43176.2-82.8177.4175.6156.40112.9E791 L792 G793 E797 L798 D799E791-K795 PolarHBondContact O-N 3.47Å; E791-K795 VanDerWaalsContact O-N 3.1Å; E791-K795 IonicContact OE1-NZ 2.73Å; E791-K795 PolarHBondContact OE1-NZ 3.07Å; L792-K795 PolarHBondContact O-N 3.11Å; G793-K795 PolarHBondContact O-N 3.31Å; K795-E797 VanDerWaalsContact C-N 3.33Å; K795-E797 PolarHBondContact O-N 3.03Å; K795-L798 WeakPolarHBondContact O-CB 3.24Å; K795-L798 PolarHBondContact O-N 2.87Å; K795-D799 PolarHBondContact O-N 3.21Å
796K79.6Confident81.3Confident144 Ų144121.3 Ų121.363%0.62657%0.574SS**Hα-helixtrans-58.9-41.7177.4-97.6-176.7176.41770112.8L792 G793 L798 R800L792-K796 WeakPolarHBondContact O-CB 3.44Å; L792-K796 PolarHBondContact O-N 3.16Å; G793-K796 PolarHBondContact O-N 2.81Å; K796-L798 VanDerWaalsContact C-N 3.33Å; K796-R800 VanDerWaalsContact O-CB 3.32Å; K796-R800 WeakPolarHBondContact O-CB 3.47Å; K796-R800 PolarHBondContact O-N 2.95Å
797E81.6Confident81.1Confident146 Ų146120.2 Ų120.268%0.68257%0.571SS**Hα-helixtrans-66.1-38.4177.9-72.8-158.9161.800111.9G793 Y794 K795 L801G793-E797 PolarHBondContact O-N 2.79Å; G793-E797 VanDerWaalsContact O-N 3.16Å; Y794-E797 PolarHBondContact O-N 3.02Å; K795-E797 VanDerWaalsContact C-N 3.33Å; K795-E797 PolarHBondContact O-N 3.03Å; E797-L801 PolarHBondContact O-N 3.01Å
798L82.3Confident80.8Confident86 Ų86125.1 Ų125.145%0.4558%0.577SS.*Hα-helixtrans-62.2-50.5175.9-124.3137.1000111.7Y794 K795 K796 R800 L801 E802Y794-L798 HydrophobicContact CD1-CD1 4.29Å; Y794-L798 HydrophobicContact CE1-CD1 3.67Å; Y794-L798 PolarHBondContact O-N 3.01Å; K795-L798 WeakPolarHBondContact O-CB 3.24Å; K795-L798 PolarHBondContact O-N 2.87Å; K796-L798 VanDerWaalsContact C-N 3.33Å; L798-R800 VanDerWaalsContact C-N 3.35Å; L798-R800 PolarHBondContact O-N 2.83Å; L798-L801 PolarHBondContact O-N 2.77Å; L798-E802 PolarHBondContact O-N 2.83Å
799D80.5Confident80.7Confident105 Ų105120.9 Ų120.956%0.56157%0.567SS**Hα-helixtrans-63-40179.5-69.4-23.4000112K795 L801 E802 V803K795-D799 PolarHBondContact O-N 3.21Å; D799-L801 VanDerWaalsContact C-N 3.31Å; D799-L801 PolarHBondContact O-N 2.97Å; D799-E802 WeakPolarHBondContact O-CB 3.36Å; D799-E802 PolarHBondContact O-N 2.83Å; D799-V803 WeakPolarHBondContact O-CG2 3.48Å; D799-V803 PolarHBondContact O-N 2.69Å
800R81.9Confident80.3Confident193 Ų193116.5 Ų116.573%0.72856%0.556SS**Hα-helixtrans-61.6-40.7178.8-170.2-179.1-173.8176.32.2111.8K796 L798 E802 V803 E804K796-R800 VanDerWaalsContact O-CB 3.32Å; K796-R800 WeakPolarHBondContact O-CB 3.47Å; K796-R800 PolarHBondContact O-N 2.95Å; L798-R800 VanDerWaalsContact C-N 3.35Å; L798-R800 PolarHBondContact O-N 2.83Å; R800-E802 VanDerWaalsContact C-N 3.34Å; R800-V803 PolarHBondContact O-N 3Å; R800-E804 PolarHBondContact O-N 2.94Å
801L81.9Confident80.1Confident126 Ų126114.9 Ų114.966%0.6655%0.548SS*.Hα-helixtrans-67.2-35.7178.6-123135.1000111.9E797 L798 D799 K805E797-L801 PolarHBondContact O-N 3.01Å; L798-L801 PolarHBondContact O-N 2.77Å; D799-L801 VanDerWaalsContact C-N 3.31Å; D799-L801 PolarHBondContact O-N 2.97Å; L801-K805 WeakPolarHBondContact O-CB 3.42Å; L801-K805 PolarHBondContact O-N 3.07Å; L801-K805 VanDerWaalsContact O-N 3.13Å
802E81.7Confident79.5Confident104 Ų104115.5 Ų115.549%0.48655%0.554SS.*Hα-helixtrans-65.4-45.4174.9-161.191.7-130.500111.5L798 D799 R800 K805 Q806L798-E802 PolarHBondContact O-N 2.83Å; D799-E802 WeakPolarHBondContact O-CB 3.36Å; D799-E802 PolarHBondContact O-N 2.83Å; R800-E802 VanDerWaalsContact C-N 3.34Å; E802-K805 PolarHBondContact O-N 3.04Å; E802-Q806 PolarHBondContact O-N 2.71Å; E802-Q806 VanDerWaalsContact O-N 3.1Å
803V80.5Confident78.9Confident91 Ų91115.4 Ų115.455%0.55255%0.554SS**Hα-helixtrans-62.3-47.6176.41730000110.8D799 R800 K805 Q806 E807D799-V803 WeakPolarHBondContact O-CG2 3.48Å; D799-V803 PolarHBondContact O-N 2.69Å; R800-V803 PolarHBondContact O-N 3Å; V803-K805 VanDerWaalsContact C-N 3.27Å; V803-K805 PolarHBondContact O-N 3.14Å; V803-Q806 PolarHBondContact O-N 2.82Å; V803-Q806 VanDerWaalsContact O-N 3.1Å; V803-E807 WeakPolarHBondContact O-CB 3.29Å; V803-E807 PolarHBondContact O-N 3.32Å
804E85Confident78.3Confident92 Ų92117 Ų11743%0.4356%0.56SS.*Hα-helixtrans-62.9-35.5-178.4-161.5-178.4174.200112R800 R808R800-E804 PolarHBondContact O-N 2.94Å; E804-R808 PolarHBondContact O-N 3.41Å; E804-R808 IonicContact OE1-CZ 2.68Å; E804-R808 IonicContact OE1-NH2 2.92Å; E804-R808 PolarHBondContact OE1-NH2 3.18Å
805K79Confident77.7Confident131 Ų131115.1 Ų115.157%0.5756%0.557SS**Hα-helixtrans-63.6-45172.5179.6-173.2169.2-167.80112.1L801 E802 V803 L809L801-K805 WeakPolarHBondContact O-CB 3.42Å; L801-K805 PolarHBondContact O-N 3.07Å; L801-K805 VanDerWaalsContact O-N 3.13Å; E802-K805 PolarHBondContact O-N 3.04Å; V803-K805 VanDerWaalsContact C-N 3.27Å; V803-K805 PolarHBondContact O-N 3.14Å; K805-L809 WeakPolarHBondContact O-CG 3.35Å; K805-L809 PolarHBondContact O-N 3.08Å
806Q79.3Confident76.9Confident119 Ų119117.7 Ų117.756%0.55656%0.564SS**Hα-helixtrans-66.8-41.7177.5-77.1-73.6-11.400112.3E802 V803 R808 L809 A810E802-Q806 PolarHBondContact O-N 2.71Å; E802-Q806 VanDerWaalsContact O-N 3.1Å; V803-Q806 PolarHBondContact O-N 2.82Å; V803-Q806 VanDerWaalsContact O-N 3.1Å; Q806-R808 PolarHBondContact O-N 3.42Å; Q806-L809 WeakPolarHBondContact O-CB 3.26Å; Q806-L809 PolarHBondContact O-N 2.8Å; Q806-A810 WeakPolarHBondContact O-CB 3.43Å; Q806-A810 PolarHBondContact O-N 2.82Å
807E78.8Confident75.8Confident118 Ų118116.9 Ų116.955%0.55156%0.56SS**Hα-helixtrans-64.7-41.5-177.5-158.5174.1-156.600111.8V803 A810 Q811V803-E807 WeakPolarHBondContact O-CB 3.29Å; V803-E807 PolarHBondContact O-N 3.32Å; E807-A810 PolarHBondContact O-N 3.49Å; E807-Q811 PolarHBondContact O-N 2.86Å
808R76.9Confident75Confident162 Ų162117.8 Ų117.861%0.61156%0.557SS**Hα-helixtrans-64.8-38.2173.7-77.6-174.2-174.5168.710.9112.9E804 Q806 L812E804-R808 PolarHBondContact O-N 3.41Å; E804-R808 IonicContact OE1-CZ 2.68Å; E804-R808 IonicContact OE1-NH2 2.92Å; E804-R808 PolarHBondContact OE1-NH2 3.18Å; Q806-R808 PolarHBondContact O-N 3.42Å; R808-L812 PolarHBondContact O-N 2.91Å
809L76.9Confident73.9Confident92 Ų92120.5 Ų120.548%0.48257%0.568SS.*Hα-helixtrans-63.7-45.4174.5-78.2166.2000111K805 Q806 Q811 L812 D813K805-L809 WeakPolarHBondContact O-CG 3.35Å; K805-L809 PolarHBondContact O-N 3.08Å; Q806-L809 WeakPolarHBondContact O-CB 3.26Å; Q806-L809 PolarHBondContact O-N 2.8Å; L809-Q811 PolarHBondContact O-N 3.23Å; L809-L812 WeakPolarHBondContact O-CB 3.41Å; L809-L812 PolarHBondContact O-N 3.17Å; L809-D813 PolarHBondContact O-N 3.02Å
810A76.6Confident72.8Confident51 Ų51120.8 Ų120.842%0.42157%0.567SS.*Hα-helixtrans-65.3-36.7179.600000113.3Q806 E807 D813 S814Q806-A810 WeakPolarHBondContact O-CB 3.43Å; Q806-A810 PolarHBondContact O-N 2.82Å; E807-A810 PolarHBondContact O-N 3.49Å; A810-D813 PolarHBondContact O-N 3.39Å; A810-S814 WeakPolarHBondContact O-CB 3.21Å; A810-S814 PolarHBondContact O-N 2.83Å; A810-S814 PolarHBondContact O-OG 3.15Å
811Q75.3Confident71.5Confident125 Ų125117.5 Ų117.558%0.58456%0.562SS**Hα-helixtrans-65.2-42.3174.8-85.1-177.1-6.600112.3E807 L809 D813 S814 Q815E807-Q811 PolarHBondContact O-N 2.86Å; L809-Q811 PolarHBondContact O-N 3.23Å; Q811-D813 VanDerWaalsContact C-N 3.34Å; Q811-S814 PolarHBondContact O-N 3.49Å; Q811-Q815 PolarHBondContact O-N 2.91Å
812L69Low69.9Low119 Ų119118.6 Ų118.662%0.62356%0.563SS**Hα-helixtrans-60.2-43.6174.7-104.9150000111.4R808 L809 R816R808-L812 PolarHBondContact O-N 2.91Å; L809-L812 WeakPolarHBondContact O-CB 3.41Å; L809-L812 PolarHBondContact O-N 3.17Å; L812-R816 WeakPolarHBondContact O-CB 3.41Å; L812-R816 PolarHBondContact O-N 2.9Å; L812-R816 VanDerWaalsContact O-N 3.16Å
813D68.1Low68.9Low103 Ų103117.6 Ų117.655%0.55157%0.568SS**Hα-helixtrans-69.3-41.8178.2-85-15.6000113L809 A810 Q811 Q815 R816 F817L809-D813 PolarHBondContact O-N 3.02Å; A810-D813 PolarHBondContact O-N 3.39Å; Q811-D813 VanDerWaalsContact C-N 3.34Å; D813-Q815 VanDerWaalsContact C-N 3.34Å; D813-Q815 PolarHBondContact O-N 2.76Å; D813-R816 WeakPolarHBondContact O-CB 2.92Å; D813-R816 PolarHBondContact O-N 3.25Å; D813-F817 PolarHBondContact O-N 2.8Å
814S69.3Low67.6Low70 Ų70117.2 Ų117.249%0.4956%0.562SS.*Hα-helixtrans-63.1-39.8178-67.40000112.3A810 Q811 R816 F817 R818A810-S814 WeakPolarHBondContact O-CB 3.21Å; A810-S814 PolarHBondContact O-N 2.83Å; A810-S814 PolarHBondContact O-OG 3.15Å; Q811-S814 PolarHBondContact O-N 3.49Å; S814-R816 VanDerWaalsContact C-N 3.34Å; S814-F817 PolarHBondContact O-N 2.98Å; S814-R818 WeakPolarHBondContact O-CB 3.41Å; S814-R818 PolarHBondContact O-N 2.77Å
815Q66.3Low66.3Low124 Ų124114.3 Ų114.358%0.57956%0.557SS**Hα-helixtrans-64.1-42174.7-80.5-176.8-10.300111.5Q811 D813 R818 Q819Q811-Q815 PolarHBondContact O-N 2.91Å; D813-Q815 VanDerWaalsContact C-N 3.34Å; D813-Q815 PolarHBondContact O-N 2.76Å; Q815-R818 PolarHBondContact O-N 3.45Å; Q815-Q819 PolarHBondContact O-N 3.47Å
816R64.3Low64.7Low171 Ų171112.2 Ų112.265%0.64556%0.559SS**Hα-helixtrans-64.4-40.4177.3-165.9-178-178.4-169.50.5112.3L812 D813 S814 M820L812-R816 WeakPolarHBondContact O-CB 3.41Å; L812-R816 PolarHBondContact O-N 2.9Å; L812-R816 VanDerWaalsContact O-N 3.16Å; D813-R816 WeakPolarHBondContact O-CB 2.92Å; D813-R816 PolarHBondContact O-N 3.25Å; S814-R816 VanDerWaalsContact C-N 3.34Å; R816-M820 PolarHBondContact O-N 2.76Å
817F56.2Low63.6Low126 Ų126112 Ų11255%0.55356%0.562SS**Hα-helixtrans-68.7-36.8177.5-169.6-97.5000112.1D813 S814 M820 M821D813-F817 PolarHBondContact O-N 2.8Å; S814-F817 PolarHBondContact O-N 2.98Å; F817-M820 WeakPolarHBondContact O-CA 3.46Å; F817-M820 VanDerWaalsContact O-CB 3.25Å; F817-M820 WeakPolarHBondContact O-CB 3.25Å; F817-M820 PolarHBondContact O-N 3.31Å; F817-M821 HydrophobicContact CD1-CG 4.34Å; F817-M821 HydrophobicContact CE1-CG 3.69Å; F817-M821 HydrophobicContact CZ-CE 4.01Å; F817-M821 HydrophobicContact CZ-CG 4.05Å; F817-M821 PolarHBondContact O-N 2.97Å; F817-M821 VanDerWaalsContact O-N 3.1Å
818R64.5Low62.3Low165 Ų165109.3 Ų109.362%0.62355%0.553SS**Hα-helixtrans-64.5-44.5177.7-170.2-179.3-61.61472.9112.4S814 Q815 M820 M821 E822S814-R818 WeakPolarHBondContact O-CB 3.41Å; S814-R818 PolarHBondContact O-N 2.77Å; Q815-R818 PolarHBondContact O-N 3.45Å; R818-M820 PolarHBondContact O-N 2.94Å; R818-M820 VanDerWaalsContact O-N 3.07Å; R818-M821 PolarHBondContact O-N 3.2Å; R818-E822 PolarHBondContact O-N 3Å
819Q60.2Low61Low143 Ų143107.6 Ų107.667%0.66856%0.555SS**Hα-helixtrans-53.8-27.9171.5-76.5179.4-1900112.3Q815Q815-Q819 PolarHBondContact O-N 3.47Å
820M56.7Low60Low112 Ų112111.2 Ų111.255%0.55257%0.567SS**Hα-helixtrans-80.2-42.4-179.5-160.4171.8-81.600112.2R816 F817 R818 E822 S823R816-M820 PolarHBondContact O-N 2.76Å; F817-M820 WeakPolarHBondContact O-CA 3.46Å; F817-M820 VanDerWaalsContact O-CB 3.25Å; F817-M820 WeakPolarHBondContact O-CB 3.25Å; F817-M820 PolarHBondContact O-N 3.31Å; R818-M820 PolarHBondContact O-N 2.94Å; R818-M820 VanDerWaalsContact O-N 3.07Å; M820-E822 PolarHBondContact O-N 2.89Å; M820-S823 PolarHBondContact O-N 3.14Å; M820-S823 VanDerWaalsContact O-N 3.17Å; M820-S823 PolarHBondContact O-OG 2.84Å
821M54.5Low59Low123 Ų123116 Ų11661%0.60658%0.581SS**Hα-helixtrans-74.2-26-174.9-90.5-67160.900114.6F817 R818 S823F817-M821 HydrophobicContact CD1-CG 4.34Å; F817-M821 HydrophobicContact CE1-CG 3.69Å; F817-M821 HydrophobicContact CZ-CE 4.01Å; F817-M821 HydrophobicContact CZ-CG 4.05Å; F817-M821 PolarHBondContact O-N 2.97Å; F817-M821 VanDerWaalsContact O-N 3.1Å; R818-M821 PolarHBondContact O-N 3.2Å; M821-S823 PolarHBondContact O-N 2.85Å
822E49.4Very low58Low150 Ų150113.5 Ų113.570%0.70157%0.571SS**THydrogen-bonded Turntrans-51.5-40.6165.3-76.5177.2140.900113.4R818 M820 L824R818-E822 PolarHBondContact O-N 3Å; M820-E822 PolarHBondContact O-N 2.89Å; E822-L824 PolarHBondContact O-N 2.89Å
823S61.1Low57Low83 Ų83111.7 Ų111.758%0.5857%0.573SS**THydrogen-bonded Turntrans-77.4-16.9-157.365.90000117.3M820 M821M820-S823 PolarHBondContact O-N 3.14Å; M820-S823 VanDerWaalsContact O-N 3.17Å; M820-S823 PolarHBondContact O-OG 2.84Å; M821-S823 PolarHBondContact O-N 2.85Å
824L52Low55.8Low83 Ų83118.1 Ų118.144%0.43559%0.589SS.*THydrogen-bonded Turntrans-117-13.8-162.1-84.2152.6000115.2E822 T828 L847E822-L824 PolarHBondContact O-N 2.89Å; L824-T828 PolarHBondContact O-OG1 3.04Å; L824-L847 HydrophobicContact CD1-CD2 4.04Å; L824-L847 HydrophobicContact CD2-CD1 4.09Å; L824-L847 HydrophobicContact CD2-CD2 3.14Å; L824-L847 HydrophobicContact CD2-CG 4.23Å; L824-L847 HydrophobicContact CG-CD2 4.2Å
825G57.6Low55.1Low30 Ų30117 Ų11731%0.30958%0.584SS.*  trans92.814114200000113.9D827 L829G825-D827 PolarHBondContact O-N 2.92Å; G825-L829 PolarHBondContact O-N 2.93Å
826S46.6Very low53.8Low87 Ų87112.8 Ų112.861%0.60857%0.574SS**Hα-helixtrans-66.1-24.5-173.653.30000113.3L829 K830S826-L829 WeakPolarHBondContact O-CB 3.36Å; S826-K830 PolarHBondContact O-N 2.71Å
827D55.8Low52.5Low116 Ų116108.2 Ų108.262%0.6257%0.567SS**Hα-helixtrans-95.6-26.6-173.7-70.5-33.2000114.5G825 L829 K830 E831G825-D827 PolarHBondContact O-N 2.92Å; D827-L829 VanDerWaalsContact C-N 3.31Å; D827-K830 PolarHBondContact O-N 2.94Å; D827-E831 WeakPolarHBondContact O-CB 3.48Å; D827-E831 PolarHBondContact O-N 3.49Å
828T50.3Low52Low60 Ų60110.4 Ų110.437%0.36858%0.579SS.*Hα-helixtrans-71.4-28.4158.4-3.40000111L824 K830 I832 M843L824-T828 PolarHBondContact O-OG1 3.04Å; T828-K830 PolarHBondContact O-N 2.88Å; T828-I832 HydrophobicContact CG2-CD1 3.56Å; T828-I832 HydrophobicContact CG2-CG1 3.81Å; T828-I832 WeakPolarHBondContact O-CB 3.05Å; T828-I832 WeakPolarHBondContact O-CD1 3.47Å; T828-I832 WeakPolarHBondContact O-CG1 3.39Å; T828-I832 PolarHBondContact O-N 2.8Å; T828-M843 HydrophobicContact CG2-CE 3.68Å
829L51Low51.5Low127 Ų127106.9 Ų106.967%0.66557%0.572SS**Hα-helixtrans-57.9-33.5170.1-92.5159.1000111.9G825 S826 D827G825-L829 PolarHBondContact O-N 2.93Å; S826-L829 WeakPolarHBondContact O-CB 3.36Å; D827-L829 VanDerWaalsContact C-N 3.31Å
830K54.5Low51.1Low168 Ų168106.8 Ų106.873%0.7357%0.571SS**Hα-helixtrans-90.3-42.1-180-125.9177-179.9179.50113.7S826 D827 T828S826-K830 PolarHBondContact O-N 2.71Å; D827-K830 PolarHBondContact O-N 2.94Å; T828-K830 PolarHBondContact O-N 2.88Å
831E56.4Low50.3Low152 Ų152105.3 Ų105.371%0.7157%0.568SS**Hα-helixtrans-75.8-12.7176.4-71.9-70.3147.400113.5D827 A835D827-E831 WeakPolarHBondContact O-CB 3.48Å; D827-E831 PolarHBondContact O-N 3.49Å; E831-A835 WeakPolarHBondContact O-CB 3.44Å
832I55.2Low49.8Very low72 Ų72108.1 Ų108.137%0.36958%0.577SS.*Hα-helixtrans-88.7-33.9170.8-66.9172.3000113.3T828 R834 M843T828-I832 HydrophobicContact CG2-CD1 3.56Å; T828-I832 HydrophobicContact CG2-CG1 3.81Å; T828-I832 WeakPolarHBondContact O-CB 3.05Å; T828-I832 WeakPolarHBondContact O-CD1 3.47Å; T828-I832 WeakPolarHBondContact O-CG1 3.39Å; T828-I832 PolarHBondContact O-N 2.8Å; I832-R834 VanDerWaalsContact C-N 3.25Å; I832-R834 PolarHBondContact O-N 2.88Å; I832-M843 HydrophobicContact CD1-CE 3.7Å; I832-M843 HydrophobicContact CD1-CG 4.3Å; I832-M843 HydrophobicContact CD1-SD 3.53Å; I832-M843 VanDerWaalsContact CD1-SD 3.53Å; I832-M843 HydrophobicContact CG1-CE 3.63Å; I832-M843 HydrophobicContact CG1-SD 3.45Å; I832-M843 WeakPolarHBondContact CG1-SD 3.4Å
833A47.1Very low49.4Very low80 Ų80104.7 Ų104.766%0.66156%0.562SS**THydrogen-bonded Turntrans-70.6-12.4-17000000115
834R43.1Very low49.2Very low238 Ų238104.1 Ų104.190%0.89855%0.552SS**THydrogen-bonded Turntrans-136.5-12.5177.8-77.4-174.5178.7179.6-0.4115.2I832 G836I832-R834 VanDerWaalsContact C-N 3.25Å; I832-R834 PolarHBondContact O-N 2.88Å; R834-G836 PolarHBondContact O-N 2.78Å
835A55.3Low49.3Very low46 Ų46106 Ų10638%0.3856%0.558SS.*SBendtrans-55.7128.4159.800000106.4E831 L839E831-A835 WeakPolarHBondContact O-CB 3.44Å; A835-L839 HydrophobicContact CB-CD2 3.33Å
836G38.1Very low48.6Very low36 Ų36108.9 Ų108.937%0.37157%0.574SS.*  trans-58.1-169.2-162.500000114.3R834 L839R834-G836 PolarHBondContact O-N 2.78Å; G836-L839 WeakPolarHBondContact O-CB 3.44Å; G836-L839 WeakPolarHBondContact O-CG 3.22Å
837P36.5Very low48.8Very low76 Ų76108.5 Ų108.549%0.49457%0.565SS.*SBendtrans-70.6158.2149.241.5-38.3000105.3L839P837-L839 VanDerWaalsContact C-CD1 3.46Å; P837-L839 WeakPolarHBondContact O-CD1 3.48Å
838E46.8Very low48.7Very low171 Ų171106.3 Ų106.380%0.79957%0.57SS**SBendcis-141.248.823.4-77.282.2-159.900106.3
839L53.5Low48.6Very low92 Ų92107.5 Ų107.548%0.48257%0.573SS.*  cis69.9-17.924.3-71.1120.9000120.6A835 G836 P837A835-L839 HydrophobicContact CB-CD2 3.33Å; G836-L839 WeakPolarHBondContact O-CB 3.44Å; G836-L839 WeakPolarHBondContact O-CG 3.22Å; P837-L839 VanDerWaalsContact C-CD1 3.46Å; P837-L839 WeakPolarHBondContact O-CD1 3.48Å
840Q51.6Low48.1Very low140 Ų140109.9 Ų109.965%0.65458%0.578SS**SBendtrans-1108.8167.2-83.5-177.6-11.200114.9L844Q840-L844 WeakPolarHBondContact O-CB 3.42Å
841V39.2Very low46.6Very low81 Ų81103.6 Ų103.649%0.49156%0.555SS.*SBendtrans-123.7-54.5-171.8177.20000113.4M843 L844 Q845V841-M843 PolarHBondContact O-N 3.01Å; V841-L844 CarbonylContact O-C 3.23Å; V841-L844 VanDerWaalsContact O-C 3.3Å; V841-Q845 HydrophobicContact CG1-CG 4.35Å; V841-Q845 WeakPolarHBondContact O-CA 3.39Å; V841-Q845 WeakPolarHBondContact O-CB 3.11Å; V841-Q845 WeakPolarHBondContact O-CG 3.21Å; V841-Q845 PolarHBondContact O-N 3.45Å
842K45.1Very low46.1Very low183 Ų183100.5 Ų100.580%0.79655%0.547SS*.SBendtrans-59.1-22.4177.7-86.7-179.5174.4175.60112.9S846K842-S846 WeakPolarHBondContact O-CB 3.3Å; K842-S846 PolarHBondContact O-N 3.49Å; K842-S846 PolarHBondContact O-OG 2.97Å
843M40Very low44.8Very low78 Ų78102.5 Ų102.538%0.38456%0.558SS.*Hα-helixtrans-94.5-49.1177.4-135.8170.7-162.900114.3T828 I832 V841 Q845 S846T828-M843 HydrophobicContact CG2-CE 3.68Å; I832-M843 HydrophobicContact CD1-CE 3.7Å; I832-M843 HydrophobicContact CD1-CG 4.3Å; I832-M843 HydrophobicContact CD1-SD 3.53Å; I832-M843 VanDerWaalsContact CD1-SD 3.53Å; I832-M843 HydrophobicContact CG1-CE 3.63Å; I832-M843 HydrophobicContact CG1-SD 3.45Å; I832-M843 WeakPolarHBondContact CG1-SD 3.4Å; V841-M843 PolarHBondContact O-N 3.01Å; M843-Q845 PolarHBondContact O-N 3.33Å; M843-S846 PolarHBondContact O-N 2.88Å; M843-S846 VanDerWaalsContact O-N 3.17Å; M843-S846 PolarHBondContact O-OG 2.79Å
844L58.2Low44.8Very low70 Ų70105.3 Ų105.337%0.36656%0.561SS.*Hα-helixtrans-74.228.7163.4-112.8170000110Q840 V841 L849 K850 S851Q840-L844 WeakPolarHBondContact O-CB 3.42Å; V841-L844 CarbonylContact O-C 3.23Å; V841-L844 VanDerWaalsContact O-C 3.3Å; L844-L849 CarbonylContact C-O 3.56Å; L844-K850 CarbonylContact O-C 3.52Å; L844-S851 VanDerWaalsContact CG-CB 3.42Å; L844-S851 WeakPolarHBondContact O-CB 3.48Å; L844-S851 PolarHBondContact O-N 3.22Å
845Q53.6Low45.2Very low122 Ų12294.5 Ų94.557%0.5752%0.521SS*.Hα-helixtrans-137.6-45.1158.6-77.6-172-50.500112.4V841 M843 L847 G848 L849V841-Q845 HydrophobicContact CG1-CG 4.35Å; V841-Q845 WeakPolarHBondContact O-CA 3.39Å; V841-Q845 WeakPolarHBondContact O-CB 3.11Å; V841-Q845 WeakPolarHBondContact O-CG 3.21Å; V841-Q845 PolarHBondContact O-N 3.45Å; M843-Q845 PolarHBondContact O-N 3.33Å; Q845-L847 PolarHBondContact O-N 3.22Å; Q845-G848 WeakPolarHBondContact O-CA 3.4Å; Q845-G848 PolarHBondContact O-N 3.11Å; Q845-L849 WeakPolarHBondContact CA-O 3.3Å; Q845-L849 PolarHBondContact N-O 2.57Å; Q845-L849 VanDerWaalsContact N-O 3.1Å
846S41.9Very low44.8Very low91 Ų9198.2 Ų98.264%0.63654%0.535SS*.Hα-helixtrans-60.1-19.2-173.663.80000115.1K842 M843 G848K842-S846 WeakPolarHBondContact O-CB 3.3Å; K842-S846 PolarHBondContact O-N 3.49Å; K842-S846 PolarHBondContact O-OG 2.97Å; M843-S846 PolarHBondContact O-N 2.88Å; M843-S846 VanDerWaalsContact O-N 3.17Å; M843-S846 PolarHBondContact O-OG 2.79Å; S846-G848 PolarHBondContact O-N 3.16Å
847L50.8Low44.7Very low79 Ų79100.3 Ų100.341%0.41456%0.556SS.*THydrogen-bonded Turntrans-82.58174.8-75.9158.4000113.2L824 Q845 L849L824-L847 HydrophobicContact CD1-CD2 4.04Å; L824-L847 HydrophobicContact CD2-CD1 4.09Å; L824-L847 HydrophobicContact CD2-CD2 3.14Å; L824-L847 HydrophobicContact CD2-CG 4.23Å; L824-L847 HydrophobicContact CG-CD2 4.2Å; Q845-L847 PolarHBondContact O-N 3.22Å; L847-L849 HydrophobicContact CB-CB 3.84Å; L847-L849 HydrophobicContact CB-CD1 3.34Å; L847-L849 HydrophobicContact CB-CG 3.42Å; L847-L849 VanDerWaalsContact CB-CG 3.42Å; L847-L849 HydrophobicContact CD1-CD1 3.75Å; L847-L849 HydrophobicContact CG-CD1 4.07Å; L847-L849 PolarHBondContact O-N 3.11Å
848G53.7Low45.3Very low70 Ų70100 Ų10072%0.72256%0.556SS**SBendtrans58.26.2-160.700000111.9Q845 S846 K850Q845-G848 WeakPolarHBondContact O-CA 3.4Å; Q845-G848 PolarHBondContact O-N 3.11Å; S846-G848 PolarHBondContact O-N 3.16Å; G848-K850 PolarHBondContact O-N 3.17Å; G848-K850 VanDerWaalsContact O-N 3.13Å
849L48.7Very low45.7Very low86 Ų8695.1 Ų95.145%0.4554%0.54SS..  trans-78109.4174.2-66.8172.8000102.7L844 Q845 L847 S851L844-L849 CarbonylContact C-O 3.56Å; Q845-L849 WeakPolarHBondContact CA-O 3.3Å; Q845-L849 PolarHBondContact N-O 2.57Å; Q845-L849 VanDerWaalsContact N-O 3.1Å; L847-L849 HydrophobicContact CB-CB 3.84Å; L847-L849 HydrophobicContact CB-CD1 3.34Å; L847-L849 HydrophobicContact CB-CG 3.42Å; L847-L849 VanDerWaalsContact CB-CG 3.42Å; L847-L849 HydrophobicContact CD1-CD1 3.75Å; L847-L849 HydrophobicContact CG-CD1 4.07Å; L847-L849 PolarHBondContact O-N 3.11Å; L849-S851 PolarHBondContact O-N 2.75Å
850K40.5Very low44.9Very low176 Ų17694.2 Ų94.277%0.76554%0.54SS*.  trans-62.5120.2151.6-69.5172.3178175.80104.7L844 G848 T852L844-K850 CarbonylContact O-C 3.52Å; G848-K850 PolarHBondContact O-N 3.17Å; G848-K850 VanDerWaalsContact O-N 3.13Å; K850-T852 PolarHBondContact O-N 3.28Å
851S23.7Very low44.7Very low36 Ų3693.5 Ų93.525%0.25254%0.539SS..  trans-56.294.4145.3156.90000108.4L844 L849 L853L844-S851 VanDerWaalsContact CG-CB 3.42Å; L844-S851 WeakPolarHBondContact O-CB 3.48Å; L844-S851 PolarHBondContact O-N 3.22Å; L849-S851 PolarHBondContact O-N 2.75Å; S851-L853 WeakPolarHBondContact OG-CB 3.45Å; S851-L853 PolarHBondContact OG-N 3.23Å; S851-L853 VanDerWaalsContact OG-N 3.08Å
852T46.7Very low44.9Very low88 Ų8895.2 Ų95.254%0.5455%0.546SS..  -79.685.7127.735.30000105.4K850 T855K850-T852 PolarHBondContact O-N 3.28Å; T852-T855 WeakPolarHBondContact CB-O 3.4Å; T852-T855 WeakPolarHBondContact CB-OG1 3.32Å; T852-T855 PolarHBondContact O-N 3.16Å
853L27.6Very low44.7Very low114 Ų11491.2 Ų91.260%0.59753%0.533SS*.  7.9127.168.4-162.3138.8000115.3S851 T855S851-L853 WeakPolarHBondContact OG-CB 3.45Å; S851-L853 PolarHBondContact OG-N 3.23Å; S851-L853 VanDerWaalsContact OG-N 3.08Å; L853-T855 VanDerWaalsContact C-CG2 3.43Å; L853-T855 VanDerWaalsContact CA-N 3.29Å; L853-T855 WeakPolarHBondContact O-CB 3.18Å; L853-T855 WeakPolarHBondContact O-CG2 3.33Å; L853-T855 PolarHBondContact O-OG1 2.99Å
854I47Very low44.4Very low139 Ų13995 Ų9571%0.71355%0.547SS*.SBend-10.2-66.8-51.6150.4174.8000107.8
855T50.2Low43.6Very low10 Ų1097 Ų976%0.06156%0.562CS.*  cis-152.680.8-37.749.3000094.1T852 L853 S858 S859 P860T852-T855 WeakPolarHBondContact CB-O 3.4Å; T852-T855 WeakPolarHBondContact CB-OG1 3.32Å; T852-T855 PolarHBondContact O-N 3.16Å; L853-T855 VanDerWaalsContact C-CG2 3.43Å; L853-T855 VanDerWaalsContact CA-N 3.29Å; L853-T855 WeakPolarHBondContact O-CB 3.18Å; L853-T855 WeakPolarHBondContact O-CG2 3.33Å; L853-T855 PolarHBondContact O-OG1 2.99Å; T855-S858 VanDerWaalsContact CA-O 3.3Å; T855-S858 WeakPolarHBondContact CA-O 3.44Å; T855-S858 WeakPolarHBondContact CB-O 3.47Å; T855-S858 WeakPolarHBondContact CG2-O 3.4Å; T855-S859 WeakPolarHBondContact CB-O 3.36Å; T855-S859 WeakPolarHBondContact CG2-O 3.49Å; T855-S859 PolarHBondContact OG1-O 2.81Å; T855-P860 HydrophobicContact CG2-CB 4.49Å
856D47.2Very low42.9Very low125 Ų12597.7 Ų97.767%0.66858%0.575SS**SBend-158.1163.393.9-98-6.1000107.4S858 S859D856-S858 VanDerWaalsContact C-N 3.26Å; D856-S858 WeakPolarHBondContact OD1-CA 3.36Å; D856-S858 PolarHBondContact OD1-N 3.49Å; D856-S859 PolarHBondContact OD1-N 2.79Å
857G37.4Very low43Very low80 Ų8097.1 Ų97.183%0.82558%0.576SS**SBendcis-56.4-36.134.800000115.3
858S48.1Very low42.1Very low70 Ų70101.5 Ų101.549%0.4960%0.6SS.*SBendtrans-126.7131-167.153.90000119.3T855 D856T855-S858 VanDerWaalsContact CA-O 3.3Å; T855-S858 WeakPolarHBondContact CA-O 3.44Å; T855-S858 WeakPolarHBondContact CB-O 3.47Å; T855-S858 WeakPolarHBondContact CG2-O 3.4Å; D856-S858 VanDerWaalsContact C-N 3.26Å; D856-S858 WeakPolarHBondContact OD1-CA 3.36Å; D856-S858 PolarHBondContact OD1-N 3.49Å
859S54.7Low41.1Very low67 Ų67101.6 Ų101.647%0.46960%0.6SS.*  trans110.2174135-54.90000119.2T855 D856T855-S859 WeakPolarHBondContact CB-O 3.36Å; T855-S859 WeakPolarHBondContact CG2-O 3.49Å; T855-S859 PolarHBondContact OG1-O 2.81Å; D856-S859 PolarHBondContact OD1-N 2.79Å
860P38Very low40Very low73 Ų73105.7 Ų105.747%0.47462%0.622SS.*  -108.213351.846.9-38.7000103.4T855 N862 L863T855-P860 HydrophobicContact CG2-CB 4.49Å; P860-N862 VanDerWaalsContact CA-N 3.35Å; P860-N862 CarbonylContact O-C 3.57Å; P860-N862 PolarHBondContact O-N 3.11Å; P860-L863 CarbonylContact O-C 3.47Å; P860-L863 VanDerWaalsContact O-C 3.23Å; P860-L863 WeakPolarHBondContact O-CA 3.18Å; P860-L863 PolarHBondContact O-N 3.48Å; P860-L863 VanDerWaalsContact O-O 3.09Å
861I47.2Very low39.7Very low126 Ų126106.2 Ų106.265%0.64663%0.632SS**SBend-61.6116.8110-58.4-179.200097
862N43.8Very low39.9Very low117 Ų117107.7 Ų107.763%0.62665%0.653SS**SBendcis-60.2-63.648.9-15.1-74.1000106.6P860P860-N862 VanDerWaalsContact CA-N 3.35Å; P860-N862 CarbonylContact O-C 3.57Å; P860-N862 PolarHBondContact O-N 3.11Å
863L40.8Very low39.5Very low99 Ų99107.7 Ų107.752%0.51866%0.662SS.*  trans-174.7155.6-156.4-61.5159.3000102.9P860P860-L863 CarbonylContact O-C 3.47Å; P860-L863 VanDerWaalsContact O-C 3.23Å; P860-L863 WeakPolarHBondContact O-CA 3.18Å; P860-L863 PolarHBondContact O-N 3.48Å; P860-L863 VanDerWaalsContact O-O 3.09Å
864F32.9Very low39.5Very low157 Ų157110.1 Ų110.169%0.68968%0.675SS**  cis-165.1117.749.5-104.5-78.6000101.3T866F864-T866 PolarHBondContact O-N 2.86Å
865T41.8Very low39.1Very low111 Ų111109.1 Ų109.168%0.68168%0.677SS**  42.293.1125.257.60000114.8
866T38Very low38.4Very low137 Ų137111.8 Ų111.884%0.8471%0.707SS**  trans-16787.1139.80.70000107.6F864F864-T866 PolarHBondContact O-N 2.86Å
867A44.2Very low38.3Very low79 Ų79112.4 Ų112.465%0.65372%0.717SS**  56.5111.46300000111.9
868N33.1Very low38.2Very low172 Ų172111.3 Ų111.392%0.9271%0.706SS**  trans8784.5166.8-59.5-15000117.6
869G31.3Very low38.3Very low71 Ų71114.3 Ų114.373%0.73272%0.724SS**  trans143.678.115100000115.9
870L26.3Very low37.6Very low172 Ų172115.8 Ų115.890%0.90174%0.74SS**  trans-170.645.4136.5-101.1160.1000109.9
871L33.4Very low37.8Very low188 Ų188124.8 Ų124.898%0.98478%0.776SS**  trans-102.596.9154-93.2157.7000104.8
872G29.5Very low37.3Very low66 Ų66124.7 Ų124.768%0.6878%0.782SS**  trans-179.471.9-171.400000110.7
873A37.8Very low37Very low88 Ų88125.1 Ų125.173%0.72779%0.79SS**SBend-168.6135.8123.400000109.9
874L28Very low36.8Very low166 Ų166126.6 Ų126.687%0.86981%0.805SS**  cis-163157.3-6.5-106.5155.1000103.6
875P38.3Very low37Very low118 Ų118124.8 Ų124.877%0.76681%0.812SS**  trans-105.4151.5-150.530.2-17.8000113.7
876G34.3Very low36.7Very low66 Ų66125.6 Ų125.668%0.6882%0.82SS**  trans119.5118.7149.800000115.8G878G876-G878 VanDerWaalsContact C-N 3.27Å; G876-G878 PolarHBondContact O-N 2.73Å; G876-G878 VanDerWaalsContact O-N 3.11Å
877P45.9Very low36.6Very low138 Ų138124.9 Ų124.990%0.89682%0.819SS**  trans-77.386.9154.931.3-26000107.3
878G36Very low36.1Very low57 Ų57128.1 Ų128.159%0.58883%0.831SS**PPolyproline II helixtrans-61.8161.7157.700000110.2G876G876-G878 VanDerWaalsContact C-N 3.27Å; G876-G878 PolarHBondContact O-N 2.73Å; G876-G878 VanDerWaalsContact O-N 3.11Å
879P49.6Very low36.3Very low133 Ų133124.8 Ų124.886%0.86482%0.824SS**PPolyproline II helixtrans-58.1139.4-172.729-35000111.3
880A39.3Very low36.7Very low97 Ų97129.3 Ų129.380%0.80283%0.832SS**PPolyproline II helixtrans-88.9133.2161.100000107.5
881Q42.3Very low37.7Very low262 Ų262125.4 Ų125.4100%1.22483%0.826SS**  cis-148.601.3-111.5174.65.100107.5

Retrieved 881 of 881 residues in 709.5 ms (Link to these results)

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