A0A077Z9Y9_TRITR Loading...

CHORD and CS domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9Y9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 292 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
1M63.2Low80.4Confident188 Ų18871.1 Ų71.193%0.92641%0.41SS*.  01220-64.8156.3-169.400107.3D16M1-D16 VanDerWaalsContact SD-OD2 3.4Å
2S82.3Confident80.1Confident94 Ų9470.9 Ų70.966%0.65744%0.435SS*.  trans-85.8116.4179.261.10000109.8
3L85.5Confident80.4Confident94 Ų9474.3 Ų74.349%0.49244%0.443SS..  trans-71.8140.2175.2-63.6167.3000110.4Q14 F15 D16L3-Q14 HydrophobicContact CB-CB 4.06Å; L3-Q14 HydrophobicContact CB-CG 4.49Å; L3-Q14 HydrophobicContact CD1-CB 4.31Å; L3-F15 WeakPolarHBondContact CA-O 3.33Å; L3-F15 VanDerWaalsContact CD2-C 3.47Å; L3-D16 HydrophobicContact CD2-CB 4.09Å
4L85.4Confident80.8Confident68 Ų6877.4 Ų77.436%0.35645%0.451SS..EExtended strand (participates in β ladder)trans-104.5147.5173.6-67.6170.8000109.9Q14 F15 P17 P54L4-Q14 CarbonylContact O-C 3.56Å; L4-Q14 VanDerWaalsContact O-CA 3.29Å; L4-Q14 WeakPolarHBondContact O-CA 3.34Å; L4-F15 HydrophobicContact CB-CD1 4.41Å; L4-F15 HydrophobicContact CB-CE1 3.89Å; L4-F15 HydrophobicContact CB-CE2 4.47Å; L4-F15 HydrophobicContact CB-CZ 3.96Å; L4-F15 PolarHBondContact N-O 3.1Å; L4-F15 WeakPolarHBondContact O-CD1 3.43Å; L4-F15 PolarHBondContact O-N 3.39Å; L4-P17 HydrophobicContact CD1-CB 3.92Å; L4-P17 HydrophobicContact CD1-CG 3.85Å; L4-P17 HydrophobicContact CG-CG 4.32Å; L4-P54 HydrophobicContact CD1-CB 3.8Å
5N85.4Confident81Confident77 Ų7772.8 Ų72.841%0.41242%0.423SS..EExtended strand (participates in β ladder)trans-77.1134.9172.4-71.6-20000109.9Y7 Q14N5-Y7 WeakPolarHBondContact O-CD2 3.42Å; N5-Y7 WeakPolarHBondContact O-CE2 3.38Å; N5-Q14 WeakPolarHBondContact OD1-CG 3.43Å; N5-Q14 PolarHBondContact OD1-NE2 2.71Å; N5-Q14 VanDerWaalsContact OD1-NE2 3.11Å
6C84.8Confident81.3Confident8 Ų870.6 Ų70.65%0.05441%0.409CS..  trans-78.7126.3172.8-174.20000111.3N8 C11 Q13 F15 H52 N53C6-N8 PolarHBondContact SG-N 3.4Å; C6-C11 HydrophobicContact CB-CB 4.15Å; C6-C11 PolarHBondContact SG-SG 3.11Å; C6-Q13 VanDerWaalsContact CB-O 3.24Å; C6-Q13 WeakPolarHBondContact CB-O 3.38Å; C6-Q13 PolarHBondContact N-O 2.92Å; C6-F15 HydrophobicContact CB-CD1 3.96Å; C6-F15 HydrophobicContact CB-CE1 4.11Å; C6-H52 HydrophobicContact CB-CB 3.96Å; C6-H52 VanDerWaalsContact CB-ND1 3.34Å; C6-H52 WeakPolarHBondContact CB-ND1 3.48Å; C6-H52 VanDerWaalsContact SG-CA 3.59Å; C6-H52 PolarHBondContact SG-ND1 3.15Å; C6-N53 WeakPolarHBondContact CA-O 3.47Å; C6-N53 PolarHBondContact SG-N 3.27Å; C6-N53 VanDerWaalsContact SG-N 3.39Å
7Y86.4Confident81.4Confident86 Ų8669.8 Ų69.834%0.33741%0.407SS..  trans-98.59177.1-65.6-77.7000113.9N5 C9 N53 P54 N55 K56N5-Y7 WeakPolarHBondContact O-CD2 3.42Å; N5-Y7 WeakPolarHBondContact O-CE2 3.38Å; Y7-C9 PolarHBondContact O-N 3.15Å; Y7-N53 PolarHBondContact N-O 3.08Å; Y7-P54 WeakPolarHBondContact CD2-O 3.4Å; Y7-P54 WeakPolarHBondContact CE2-O 3.5Å; Y7-N55 WeakPolarHBondContact CB-O 3.49Å; Y7-K56 HydrophobicContact CD1-CB 3.95Å; Y7-K56 HydrophobicContact CD1-CG 3.86Å; Y7-K56 HydrophobicContact CD2-CB 4.07Å; Y7-K56 HydrophobicContact CE1-CB 3.67Å; Y7-K56 HydrophobicContact CE1-CD 3.82Å; Y7-K56 HydrophobicContact CE1-CG 3.49Å; Y7-K56 VanDerWaalsContact CE1-CG 3.49Å; Y7-K56 HydrophobicContact CE2-CB 3.77Å; Y7-K56 HydrophobicContact CG-CB 4.14Å
8N82.7Confident81.5Confident28 Ų2874 Ų7415%0.1542%0.422CS..SBendtrans-63134.6166-69.7-25.5000109C6 G10 C11 N27 P51 N53C6-N8 PolarHBondContact SG-N 3.4Å; N8-G10 PolarHBondContact O-N 3.12Å; N8-C11 HydrophobicContact CB-CB 3.96Å; N8-C11 WeakPolarHBondContact O-CB 3.35Å; N8-C11 PolarHBondContact O-N 3.08Å; N8-N27 HydrophobicContact CB-CB 3.99Å; N8-N27 VanDerWaalsContact CG-ND2 3.32Å; N8-N27 VanDerWaalsContact ND2-CG 3.3Å; N8-N27 PolarHBondContact ND2-ND2 3.42Å; N8-N27 PolarHBondContact ND2-OD1 3.37Å; N8-N27 VanDerWaalsContact ND2-OD1 3.14Å; N8-P51 PolarHBondContact ND2-O 3.19Å; N8-N53 WeakPolarHBondContact OD1-CB 3.24Å
9C75.4Confident81.4Confident69 Ų6973.8 Ų73.847%0.46643%0.431SS..THydrogen-bonded Turntrans-55.7129.8179.8-153.70000109.7Y7 C11 S28Y7-C9 PolarHBondContact O-N 3.15Å; C9-C11 VanDerWaalsContact C-N 3.26Å; C9-C11 PolarHBondContact O-N 2.9Å; C9-S28 WeakPolarHBondContact CB-OG 3.05Å; C9-S28 PolarHBondContact O-N 2.93Å; C9-S28 PolarHBondContact O-OG 3.18Å; C9-S28 VanDerWaalsContact O-OG 3.07Å
10G73.1Confident81.4Confident53 Ų5372 Ų7255%0.54642%0.419SS..THydrogen-bonded Turntrans76.3-9.8-178.200000116.9N8N8-G10 PolarHBondContact O-N 3.12Å
11C79.7Confident80.8Confident17 Ų1776.7 Ų76.712%0.11543%0.434CS..THydrogen-bonded Turntrans-74-57.3-177.6-177.80000111.9C6 N8 C9 Q13 H52C6-C11 HydrophobicContact CB-CB 4.15Å; C6-C11 PolarHBondContact SG-SG 3.11Å; N8-C11 HydrophobicContact CB-CB 3.96Å; N8-C11 WeakPolarHBondContact O-CB 3.35Å; N8-C11 PolarHBondContact O-N 3.08Å; C9-C11 VanDerWaalsContact C-N 3.26Å; C9-C11 PolarHBondContact O-N 2.9Å; C11-Q13 WeakPolarHBondContact O-CG 3.26Å; C11-Q13 PolarHBondContact O-N 3.11Å; C11-H52 PolarHBondContact SG-ND1 3.12Å; C11-H52 VanDerWaalsContact SG-ND1 3.42Å
12G77.7Confident80.6Confident69 Ų6973.9 Ų73.971%0.71142%0.423SS*.  trans61.4-4.2176.500000116.7
13Q83.1Confident79.3Confident115 Ų11570.8 Ų70.854%0.53741%0.406SS..  trans-80.3151.9-176.3-66.7-164.1-9.300112.6C6 C11C6-Q13 VanDerWaalsContact CB-O 3.24Å; C6-Q13 WeakPolarHBondContact CB-O 3.38Å; C6-Q13 PolarHBondContact N-O 2.92Å; C11-Q13 WeakPolarHBondContact O-CG 3.26Å; C11-Q13 PolarHBondContact O-N 3.11Å
14Q86.7Confident78Confident117 Ų11775 Ų7555%0.54742%0.421SS..EExtended strand (participates in β ladder)trans-84.8139.1165-82.4-177.5-11.500110L3 L4 N5L3-Q14 HydrophobicContact CB-CB 4.06Å; L3-Q14 HydrophobicContact CB-CG 4.49Å; L3-Q14 HydrophobicContact CD1-CB 4.31Å; L4-Q14 CarbonylContact O-C 3.56Å; L4-Q14 VanDerWaalsContact O-CA 3.29Å; L4-Q14 WeakPolarHBondContact O-CA 3.34Å; N5-Q14 WeakPolarHBondContact OD1-CG 3.43Å; N5-Q14 PolarHBondContact OD1-NE2 2.71Å; N5-Q14 VanDerWaalsContact OD1-NE2 3.11Å
15F84.2Confident76.6Confident9 Ų972.7 Ų72.74%0.03941%0.409CS..EExtended strand (participates in β ladder)trans-137.9151.6-177.471.6-85.2000111.6L3 L4 C6 P17 N20 H52 P54L3-F15 WeakPolarHBondContact CA-O 3.33Å; L3-F15 VanDerWaalsContact CD2-C 3.47Å; L4-F15 HydrophobicContact CB-CD1 4.41Å; L4-F15 HydrophobicContact CB-CE1 3.89Å; L4-F15 HydrophobicContact CB-CE2 4.47Å; L4-F15 HydrophobicContact CB-CZ 3.96Å; L4-F15 PolarHBondContact N-O 3.1Å; L4-F15 WeakPolarHBondContact O-CD1 3.43Å; L4-F15 PolarHBondContact O-N 3.39Å; C6-F15 HydrophobicContact CB-CD1 3.96Å; C6-F15 HydrophobicContact CB-CE1 4.11Å; F15-P17 HydrophobicContact CE2-CB 4.41Å; F15-P17 WeakPolarHBondContact O-CD 3.49Å; F15-N20 HydrophobicContact CD2-CB 3.73Å; F15-N20 HydrophobicContact CE2-CB 3.89Å; F15-N20 VanDerWaalsContact CE2-ND2 3.27Å; F15-N20 WeakPolarHBondContact CE2-ND2 3.34Å; F15-H52 HydrophobicContact CB-CB 4.06Å; F15-H52 WeakPolarHBondContact CB-CD2 3.29Å; F15-H52 WeakPolarHBondContact CB-NE2 3.14Å; F15-H52 HydrophobicContact CD1-CB 3.25Å; F15-H52 AromaticContact CD1-CG 3.59Å; F15-H52 AromaticContact CD1-ND1 3.92Å; F15-H52 HydrophobicContact CD2-CB 3.69Å; F15-H52 HydrophobicContact CE1-CB 3.41Å; F15-H52 VanDerWaalsContact CE1-CB 3.41Å; F15-H52 HydrophobicContact CE2-CB 3.82Å; F15-H52 HydrophobicContact CG-CB 3.38Å; F15-H52 AromaticContact CG-CD2 3.64Å; F15-H52 AromaticContact CG-CG 3.5Å; F15-H52 VanDerWaalsContact CG-CG 3.5Å; F15-H52 HydrophobicContact CZ-CB 3.66Å; F15-P54 HydrophobicContact CZ-CB 3.79Å; F15-P54 HydrophobicContact CZ-CG 4.23Å
16D84.8Confident75.1Confident38 Ų3871 Ų7120%0.20341%0.406CS..  trans-82.4116.8171.6-172.7-19.6000108.9M1 L3 E18 A19 N20M1-D16 VanDerWaalsContact SD-OD2 3.4Å; L3-D16 HydrophobicContact CD2-CB 4.09Å; D16-E18 PolarHBondContact O-N 3.13Å; D16-E18 PolarHBondContact OD1-N 3.02Å; D16-A19 HydrophobicContact CB-CB 4.06Å; D16-A19 PolarHBondContact O-N 3.49Å; D16-A19 VanDerWaalsContact O-N 3.12Å; D16-N20 PolarHBondContact O-N 3.24Å; D16-N20 VanDerWaalsContact O-N 3.08Å
17P82.8Confident73.5Confident56 Ų5671.6 Ų71.636%0.36441%0.409SS..THydrogen-bonded Turntrans-58.2-26.4178.720.1-29.4000113.6L4 F15L4-P17 HydrophobicContact CD1-CB 3.92Å; L4-P17 HydrophobicContact CD1-CG 3.85Å; L4-P17 HydrophobicContact CG-CG 4.32Å; F15-P17 HydrophobicContact CE2-CB 4.41Å; F15-P17 WeakPolarHBondContact O-CD 3.49Å
18E83.4Confident71.6Confident146 Ų14669 Ų6968%0.68240%0.403SS*.THydrogen-bonded Turntrans-76.1-31.9178.1-63.5-170.9164.700112.5D16D16-E18 PolarHBondContact O-N 3.13Å; D16-E18 PolarHBondContact OD1-N 3.02Å
19A80.7Confident70.1Confident71 Ų7173.3 Ų73.359%0.58743%0.426SS*.THydrogen-bonded Turntrans-89.1-4.8177.100000113.5D16 K21D16-A19 HydrophobicContact CB-CB 4.06Å; D16-A19 PolarHBondContact O-N 3.49Å; D16-A19 VanDerWaalsContact O-N 3.12Å; A19-K21 PolarHBondContact O-N 3.13Å
20N81.2Confident68.5Low36 Ų3677.2 Ų77.219%0.19344%0.438CS..THydrogen-bonded Turntrans-78.245.2-178.1-167.831.1000113.4F15 D16 H52F15-N20 HydrophobicContact CD2-CB 3.73Å; F15-N20 HydrophobicContact CE2-CB 3.89Å; F15-N20 VanDerWaalsContact CE2-ND2 3.27Å; F15-N20 WeakPolarHBondContact CE2-ND2 3.34Å; D16-N20 PolarHBondContact O-N 3.24Å; D16-N20 VanDerWaalsContact O-N 3.08Å; N20-H52 PolarHBondContact ND2-O 3.23Å; N20-H52 PolarHBondContact OD1-N 3.47Å
21K67.8Low66.9Low172 Ų17281 Ų8175%0.74845%0.45SS*.THydrogen-bonded Turntrans-102.6-19.7-179.3-66-173.8-179177.50113.6A19A19-K21 PolarHBondContact O-N 3.13Å
22D59.4Low65.1Low128 Ų12885.6 Ų85.668%0.68448%0.477SS*.SBendtrans-112.415.5-163.4-61.1-28.5000116K24D22-K24 PolarHBondContact O-N 2.6Å
23G55.6Low63.5Low30 Ų3089.3 Ų89.331%0.30948%0.48SS..  trans60.333.8159.100000117.7
24K57.2Low61.2Low182 Ų18286.5 Ų86.579%0.79148%0.481SS*.  trans-92.41.9-173.5-72.2-174.2-177.5172.70116.6D22D22-K24 PolarHBondContact O-N 2.6Å
25T56.9Low58.8Low19 Ų1987.8 Ų87.812%0.11749%0.491CS..EExtended strand (participates in β ladder)trans-101.9136.8-172.747.90000115.5N27 K49 G50 H52T25-N27 PolarHBondContact O-OD1 3.28Å; T25-K49 CarbonylContact O-C 3.55Å; T25-K49 VanDerWaalsContact O-CA 3.22Å; T25-K49 WeakPolarHBondContact O-CA 3.48Å; T25-G50 PolarHBondContact N-O 3.45Å; T25-G50 PolarHBondContact O-N 3.3Å; T25-G50 PolarHBondContact OG1-O 2.87Å; T25-H52 WeakPolarHBondContact CG2-CE1 3.08Å; T25-H52 WeakPolarHBondContact CG2-NE2 3.3Å
26A52.8Low56.5Low41 Ų4192.3 Ų92.334%0.33953%0.53SS..EExtended strand (participates in β ladder)trans-80.1129-179.800000111.3T48A26-T48 CarbonylContact C-O 3.47Å; A26-T48 WeakPolarHBondContact CA-O 3.39Å
27N52.2Low54.2Low22 Ų2297.8 Ų97.812%0.11855%0.553CS.*EExtended strand (participates in β ladder)trans-122.6137.5-179.4-46.9-15.6000108.4N8 T25 G46 C47 T48N8-N27 HydrophobicContact CB-CB 3.99Å; N8-N27 VanDerWaalsContact CG-ND2 3.32Å; N8-N27 VanDerWaalsContact ND2-CG 3.3Å; N8-N27 PolarHBondContact ND2-ND2 3.42Å; N8-N27 PolarHBondContact ND2-OD1 3.37Å; N8-N27 VanDerWaalsContact ND2-OD1 3.14Å; T25-N27 PolarHBondContact O-OD1 3.28Å; N27-G46 CarbonylContact O-C 3.39Å; N27-G46 VanDerWaalsContact O-C 3.29Å; N27-G46 VanDerWaalsContact O-CA 3.23Å; N27-G46 WeakPolarHBondContact O-CA 3.33Å; N27-C47 PolarHBondContact O-N 3.47Å; N27-T48 PolarHBondContact N-O 3.19Å; N27-T48 PolarHBondContact O-N 3.5Å; N27-T48 PolarHBondContact O-OG1 3.29Å
28S46.6Very low52Low30 Ų30105 Ų10521%0.2158%0.582CS.*  trans-81.5130.1170.9590000110C9 E30C9-S28 WeakPolarHBondContact CB-OG 3.05Å; C9-S28 PolarHBondContact O-N 2.93Å; C9-S28 PolarHBondContact O-OG 3.18Å; C9-S28 VanDerWaalsContact O-OG 3.07Å; S28-E30 VanDerWaalsContact C-N 3.32Å
29N50Low50Low120 Ų120102.4 Ų102.464%0.64258%0.576SS**  trans-88.911178.2-106.33.6000114T48N29-T48 WeakPolarHBondContact ND2-CG2 3.27Å
30E43.1Very low48.3Very low151 Ų151105.7 Ų105.771%0.70659%0.591SS**  trans-100.3121.4177.7-78.1-170.3134.100111.8S28 V32S28-E30 VanDerWaalsContact C-N 3.32Å; E30-V32 HydrophobicContact CB-CG2 4.42Å; E30-V32 PolarHBondContact O-N 2.9Å
31T39.1Very low46.7Very low132 Ų132107.3 Ų107.381%0.8161%0.609SS**  trans-57.981.9158.4-54.60000108.2I33T31-I33 PolarHBondContact O-N 2.88Å
32V41.2Very low45.9Very low114 Ų114106.3 Ų106.369%0.69161%0.611SS**  trans-73.3103.9167.6-1770000106.5E30 G34E30-V32 HydrophobicContact CB-CG2 4.42Å; E30-V32 PolarHBondContact O-N 2.9Å; V32-G34 PolarHBondContact O-N 3.3Å; V32-G34 VanDerWaalsContact O-N 3.1Å
33I44.6Very low45.7Very low147 Ų147108 Ų10875%0.75462%0.619SS**  trans-47116.1172-55.3165.4000107.3T31 L35T31-I33 PolarHBondContact O-N 2.88Å; I33-L35 PolarHBondContact O-N 3.2Å
34G34.6Very low46.2Very low56 Ų56112.5 Ų112.558%0.57764%0.635SS**  trans-57105.6-169.600000113V32V32-G34 PolarHBondContact O-N 3.3Å; V32-G34 VanDerWaalsContact O-N 3.1Å
35L37.1Very low46.3Very low143 Ų143109 Ų10975%0.74963%0.631SS**  trans-110.4103.5155.3-77.2168000106.7I33 F37I33-L35 PolarHBondContact O-N 3.2Å; L35-F37 VanDerWaalsContact C-N 3.26Å; L35-F37 HydrophobicContact CB-CD2 4.11Å; L35-F37 HydrophobicContact CB-CE2 4.44Å; L35-F37 HydrophobicContact CD2-CE2 4.34Å; L35-F37 PolarHBondContact O-N 2.87Å
36A36.2Very low46.5Very low105 Ų105108.9 Ų108.987%0.86863%0.633SS**  trans-65.891169.200000108.1
37F35.8Very low47.4Very low153 Ų153112 Ų11267%0.67165%0.651SS**  trans-117.9115.7158.7-78.8-84.4000107L35 T39L35-F37 VanDerWaalsContact C-N 3.26Å; L35-F37 HydrophobicContact CB-CD2 4.11Å; L35-F37 HydrophobicContact CB-CE2 4.44Å; L35-F37 HydrophobicContact CD2-CE2 4.34Å; L35-F37 PolarHBondContact O-N 2.87Å; F37-T39 PolarHBondContact O-N 2.8Å
38Q35.8Very low48.3Very low208 Ų208113 Ų11397%0.97266%0.658SS**  trans-66.974161.2-77.7162.3-23.300107.7
39T42.5Very low49.7Very low91 Ų91119.9 Ų119.956%0.55868%0.684SS**SBendtrans-110.1152.6154.147.90000106.1F37 A41F37-T39 PolarHBondContact O-N 2.8Å; T39-A41 PolarHBondContact O-N 2.85Å
40P45.1Very low51.1Low139 Ų139114.8 Ų114.890%0.90366%0.659SS**  trans-64.975.916228.2-30.4000106.7L42P40-L42 PolarHBondContact O-N 2.89Å
41A47.3Very low53.1Low70 Ų70111.1 Ų111.158%0.57965%0.649SS**  trans-60.8122.7175.500000105.4T39 I43T39-A41 PolarHBondContact O-N 2.85Å; A41-I43 PolarHBondContact O-N 2.83Å; A41-I43 VanDerWaalsContact O-N 3.15Å
42L50.9Low55.2Low151 Ų151106 Ų10679%0.79162%0.616SS**  trans-20.6116.9166.5-79.4116.8000110.6P40 I44P40-L42 PolarHBondContact O-N 2.89Å; L42-I44 HydrophobicContact CB-CG1 4.05Å; L42-I44 PolarHBondContact O-N 3.32Å
43I55.5Low57.3Low164 Ų164103.1 Ų103.184%0.84160%0.596SS**  trans-67.685167.2-59171.3000105.1A41 P45A41-I43 PolarHBondContact O-N 2.83Å; A41-I43 VanDerWaalsContact O-N 3.15Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.11Å
44I64.8Low59.3Low125 Ų12598.7 Ų98.764%0.64158%0.577SS**  trans-72115.5173.3-59.4171.6000105.2L42 G46L42-I44 HydrophobicContact CB-CG1 4.05Å; L42-I44 PolarHBondContact O-N 3.32Å; I44-G46 PolarHBondContact O-N 3.33Å
45P59.2Low61.8Low109 Ų109101.5 Ų101.571%0.70858%0.579SS**  trans-60131.8179.122.7-30.6000109.4I43I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.11Å
46G62.3Low64.1Low16 Ų16101.8 Ų101.817%0.16557%0.574CS.*  trans-58.3142.2176.400000112.3N27 I44N27-G46 CarbonylContact O-C 3.39Å; N27-G46 VanDerWaalsContact O-C 3.29Å; N27-G46 VanDerWaalsContact O-CA 3.23Å; N27-G46 WeakPolarHBondContact O-CA 3.33Å; I44-G46 PolarHBondContact O-N 3.33Å
47C71.2Confident66.1Low106 Ų106101 Ų10172%0.71656%0.561SS**SBendtrans-86.8-10.6-177.8580000114.5N27N27-C47 PolarHBondContact O-N 3.47Å
48T71.3Confident68.2Low44 Ų44102.7 Ų102.727%0.2757%0.571SS.*EExtended strand (participates in β ladder)trans-118.5143.7179.644.50000111.2A26 N27 N29A26-T48 CarbonylContact C-O 3.47Å; A26-T48 WeakPolarHBondContact CA-O 3.39Å; N27-T48 PolarHBondContact N-O 3.19Å; N27-T48 PolarHBondContact O-N 3.5Å; N27-T48 PolarHBondContact O-OG1 3.29Å; N29-T48 WeakPolarHBondContact ND2-CG2 3.27Å
49K76.4Confident69.9Low174 Ų174101.7 Ų101.776%0.75756%0.563SS**EExtended strand (participates in β ladder)trans-103.4137.5173.2-66.1-179.1-176.31770110T25T25-K49 CarbonylContact O-C 3.55Å; T25-K49 VanDerWaalsContact O-CA 3.22Å; T25-K49 WeakPolarHBondContact O-CA 3.48Å
50G79.8Confident71.2Confident12 Ų12106.1 Ų106.112%0.12458%0.577CS.*EExtended strand (participates in β ladder)trans-166.2174.917700000112.2T25T25-G50 PolarHBondContact N-O 3.45Å; T25-G50 PolarHBondContact O-N 3.3Å; T25-G50 PolarHBondContact OG1-O 2.87Å
51P83.6Confident72.4Confident74 Ų74109.3 Ų109.348%0.48158%0.577SS.*  trans-64.2153.5172.627.6-32.9000110.3N8N8-P51 PolarHBondContact ND2-O 3.19Å
52H83.3Confident73Confident26 Ų26114.2 Ų114.212%0.1259%0.585CS.*  trans-64.7145.2174.1-64.9-91.4000110.7C6 C11 F15 N20 T25C6-H52 HydrophobicContact CB-CB 3.96Å; C6-H52 VanDerWaalsContact CB-ND1 3.34Å; C6-H52 WeakPolarHBondContact CB-ND1 3.48Å; C6-H52 VanDerWaalsContact SG-CA 3.59Å; C6-H52 PolarHBondContact SG-ND1 3.15Å; C11-H52 PolarHBondContact SG-ND1 3.12Å; C11-H52 VanDerWaalsContact SG-ND1 3.42Å; F15-H52 HydrophobicContact CB-CB 4.06Å; F15-H52 WeakPolarHBondContact CB-CD2 3.29Å; F15-H52 WeakPolarHBondContact CB-NE2 3.14Å; F15-H52 HydrophobicContact CD1-CB 3.25Å; F15-H52 AromaticContact CD1-CG 3.59Å; F15-H52 AromaticContact CD1-ND1 3.92Å; F15-H52 HydrophobicContact CD2-CB 3.69Å; F15-H52 HydrophobicContact CE1-CB 3.41Å; F15-H52 VanDerWaalsContact CE1-CB 3.41Å; F15-H52 HydrophobicContact CE2-CB 3.82Å; F15-H52 HydrophobicContact CG-CB 3.38Å; F15-H52 AromaticContact CG-CD2 3.64Å; F15-H52 AromaticContact CG-CG 3.5Å; F15-H52 VanDerWaalsContact CG-CG 3.5Å; F15-H52 HydrophobicContact CZ-CB 3.66Å; N20-H52 PolarHBondContact ND2-O 3.23Å; N20-H52 PolarHBondContact OD1-N 3.47Å; T25-H52 WeakPolarHBondContact CG2-CE1 3.08Å; T25-H52 WeakPolarHBondContact CG2-NE2 3.3Å
53N85.9Confident73.5Confident52 Ų52113 Ų11328%0.27859%0.586SS.*  trans-101.7115.1177.1-179.89.9000110.6C6 Y7 N8 N55C6-N53 WeakPolarHBondContact CA-O 3.47Å; C6-N53 PolarHBondContact SG-N 3.27Å; C6-N53 VanDerWaalsContact SG-N 3.39Å; Y7-N53 PolarHBondContact N-O 3.08Å; N8-N53 WeakPolarHBondContact OD1-CB 3.24Å; N53-N55 VanDerWaalsContact C-N 3.28Å; N53-N55 PolarHBondContact ND2-O 3.49Å; N53-N55 PolarHBondContact O-N 3.48Å; N53-N55 VanDerWaalsContact OD1-CB 3.31Å; N53-N55 WeakPolarHBondContact OD1-CB 3.49Å; N53-N55 PolarHBondContact OD1-N 2.86Å
54P87.2Confident73.5Confident55 Ų55115.2 Ų115.236%0.35758%0.584SS.*  trans-76.5-11.9175.528.1-30.6000113.8L4 Y7 F15L4-P54 HydrophobicContact CD1-CB 3.8Å; Y7-P54 WeakPolarHBondContact CD2-O 3.4Å; Y7-P54 WeakPolarHBondContact CE2-O 3.5Å; F15-P54 HydrophobicContact CZ-CB 3.79Å; F15-P54 HydrophobicContact CZ-CG 4.23Å
55N85.9Confident73.5Confident115 Ų115113.9 Ų113.962%0.61559%0.586SS**  trans-89.6113.4-172.4-61-39.5000111.4Y7 N53Y7-N55 WeakPolarHBondContact CB-O 3.49Å; N53-N55 VanDerWaalsContact C-N 3.28Å; N53-N55 PolarHBondContact ND2-O 3.49Å; N53-N55 PolarHBondContact O-N 3.48Å; N53-N55 VanDerWaalsContact OD1-CB 3.31Å; N53-N55 WeakPolarHBondContact OD1-CB 3.49Å; N53-N55 PolarHBondContact OD1-N 2.86Å
56K85.2Confident73.6Confident148 Ų148114.5 Ų114.564%0.64359%0.59SS**PPolyproline II helixtrans-65.5123.6174-171.6170.8-176.3176.80110Y7 E58Y7-K56 HydrophobicContact CD1-CB 3.95Å; Y7-K56 HydrophobicContact CD1-CG 3.86Å; Y7-K56 HydrophobicContact CD2-CB 4.07Å; Y7-K56 HydrophobicContact CE1-CB 3.67Å; Y7-K56 HydrophobicContact CE1-CD 3.82Å; Y7-K56 HydrophobicContact CE1-CG 3.49Å; Y7-K56 VanDerWaalsContact CE1-CG 3.49Å; Y7-K56 HydrophobicContact CE2-CB 3.77Å; Y7-K56 HydrophobicContact CG-CB 4.14Å; K56-E58 PolarHBondContact O-N 3.48Å
57P79.8Confident73.3Confident90 Ų90121.8 Ų121.858%0.58462%0.617SS**PPolyproline II helixtrans-61.1139.2176.121.8-30.6000110.5K59P57-K59 PolarHBondContact O-N 3.47Å
58E78.5Confident72.8Confident188 Ų188121.2 Ų121.288%0.87961%0.606SS**PPolyproline II helixtrans-66.6130.4175.6-168.6148.5-167.800109.3K56 E60K56-E58 PolarHBondContact O-N 3.48Å; E58-E60 PolarHBondContact O-N 2.86Å; E58-E60 VanDerWaalsContact O-N 3.15Å
59K72.3Confident72.3Confident187 Ų187126.9 Ų126.981%0.81363%0.63SS**  trans-68.5115.4177.9-84-175.9175.6-178.40108.4P57 K61P57-K59 PolarHBondContact O-N 3.47Å; K59-K61 PolarHBondContact O-N 2.97Å
60E70.7Confident71.3Confident184 Ų184126.4 Ų126.486%0.8663%0.631SS**  trans-54124.9166.5-72.4-175.4165.700109.6E58 K62E58-E60 PolarHBondContact O-N 2.86Å; E58-E60 VanDerWaalsContact O-N 3.15Å; E60-K62 PolarHBondContact O-N 3.39Å
61K69.3Low70.3Confident205 Ų205133 Ų13389%0.89166%0.663SS**  trans-71.3100.8171.2-67.9178.8-177.1173.80107.1K59K59-K61 PolarHBondContact O-N 2.97Å
62K60.9Low69.3Low173 Ų173135 Ų13575%0.75267%0.666SS**PPolyproline II helixtrans-53.4131.2171.9-72-173.2178.1-1750108.8E60 R64E60-K62 PolarHBondContact O-N 3.39Å; K62-R64 PolarHBondContact O-N 3.48Å
63P60.6Low68.2Low126 Ų126138 Ų13882%0.81869%0.686SS**PPolyproline II helixtrans-56.1130.6172.620.9-29.3000108.8S65P63-S65 PolarHBondContact O-N 3.45Å
64R56Low67.2Low210 Ų210138.3 Ų138.379%0.79269%0.687SS**PPolyproline II helixtrans-68.3123.9176.6-144.6178.1-169.2-1715.3106.8K62K62-R64 PolarHBondContact O-N 3.48Å
65S63.6Low66.2Low98 Ų98141 Ų14169%0.68570%0.702SS**PPolyproline II helixtrans-54.8143.6169.627.10000109.4P63 K67P63-S65 PolarHBondContact O-N 3.45Å; S65-K67 PolarHBondContact O-N 2.84Å
66P61.4Low65.2Low122 Ų122137.7 Ų137.779%0.79268%0.681SS**PPolyproline II helixtrans-52.1129.7175.7-22.231.3000109.5L68P66-L68 PolarHBondContact O-N 3.46Å
67K56Low64.2Low168 Ų168138.7 Ų138.773%0.7369%0.689SS**  trans-67.7115.8168.3-77.2-177.1174.6-174.20106.7S65S65-K67 PolarHBondContact O-N 2.84Å
68L60.6Low63.2Low94 Ų94138 Ų13849%0.49268%0.682SS.*  trans-60.7136163.8-67.4162.6000107.6P66 E72 I74P66-L68 PolarHBondContact O-N 3.46Å; L68-E72 VanDerWaalsContact CD2-OE2 3.24Å; L68-E72 WeakPolarHBondContact CD2-OE2 3.35Å; L68-I74 HydrophobicContact CD1-CD1 3.83Å
69E60.7Low62.2Low163 Ų163134 Ų13476%0.76267%0.673SS**  trans-63.9145.7178.6-66.3-165168.800109.9N71 E72E69-N71 PolarHBondContact O-N 3.18Å; E69-E72 PolarHBondContact O-N 2.77Å
70E57.1Low61.5Low165 Ų165131.5 Ų131.577%0.77167%0.673SS**THydrogen-bonded Turntrans-61.1-7.7-167.4-153.1164.4-166.400114.3
71N58.4Low60.9Low151 Ų151126.8 Ų126.881%0.80767%0.666SS**THydrogen-bonded Turntrans-123.110.7-178.2-63.5-43.9000114.4E69 V73E69-N71 PolarHBondContact O-N 3.18Å; N71-V73 PolarHBondContact O-N 3.2Å; N71-V73 VanDerWaalsContact O-N 3.15Å
72E61.7Low60.3Low116 Ų116126.5 Ų126.554%0.54267%0.665SS.*  trans-76.8104.2178.5-163.9174.3-177.800110.7L68 E69 I74L68-E72 VanDerWaalsContact CD2-OE2 3.24Å; L68-E72 WeakPolarHBondContact CD2-OE2 3.35Å; E69-E72 PolarHBondContact O-N 2.77Å; E72-I74 PolarHBondContact O-N 3.42Å
73V60.7Low60.2Low88 Ų88123.4 Ų123.453%0.53366%0.662SS.*  trans-76.7102.3175.3-179.70000108.6N71 T75 K171N71-V73 PolarHBondContact O-N 3.2Å; N71-V73 VanDerWaalsContact O-N 3.15Å; V73-T75 PolarHBondContact O-N 3.22Å; V73-K171 HydrophobicContact CG1-CB 4.26Å; V73-K171 HydrophobicContact CG1-CG 4.07Å
74I64.4Low60.1Low58 Ų58126.1 Ų126.130%0.29766%0.656SS.*EExtended strand (participates in β ladder)trans-81.1109171.3-57.5172.5000107.9L68 E72 Y76 G172L68-I74 HydrophobicContact CD1-CD1 3.83Å; E72-I74 PolarHBondContact O-N 3.42Å; I74-Y76 PolarHBondContact O-N 3.05Å; I74-G172 PolarHBondContact O-N 2.73Å
75T67.2Low60.4Low112 Ų112124.8 Ų124.869%0.68766%0.659SS**EExtended strand (participates in β ladder)trans-77.8115170.2-25.80000108.3V73V73-T75 PolarHBondContact O-N 3.22Å
76Y63.7Low60.2Low45 Ų45121.6 Ų121.618%0.17664%0.638CS.*  trans-96.7127.3-179178.7-108.1000111.8I74 T78 L163 Y165I74-Y76 PolarHBondContact O-N 3.05Å; Y76-T78 HydrophobicContact CE1-CG2 4.29Å; Y76-T78 WeakPolarHBondContact CE1-OG1 3.31Å; Y76-L163 HydrophobicContact CG-CD2 4.5Å; Y76-Y165 HydrophobicContact CD1-CE1 4.22Å
77E64.2Low60.2Low170 Ų170119.3 Ų119.379%0.79463%0.63SS**  trans-112112.2166-65-166.9162.100109.2P79E77-P79 WeakPolarHBondContact O-CD 3.45Å
78T60Low60.6Low74 Ų74122.9 Ų122.945%0.45464%0.639SS.*  trans-62128.4174-42.90000109.5Y76 V80Y76-T78 HydrophobicContact CE1-CG2 4.29Å; Y76-T78 WeakPolarHBondContact CE1-OG1 3.31Å; T78-V80 PolarHBondContact O-N 2.93Å; T78-V80 VanDerWaalsContact O-N 3.09Å
79P57.6Low60.9Low105 Ų105122.3 Ų122.368%0.68263%0.63SS**  trans-57.9117.9168.4-19.129.9000109.2E77 A81E77-P79 WeakPolarHBondContact O-CD 3.45Å; P79-A81 PolarHBondContact O-N 2.91Å
80V57.6Low61.2Low135 Ų135117.2 Ų117.282%0.81861%0.611SS**  trans-73.5102.8176.2-1770000107.5T78 K82T78-V80 PolarHBondContact O-N 2.93Å; T78-V80 VanDerWaalsContact O-N 3.09Å; V80-K82 PolarHBondContact O-N 2.66Å
81A57.7Low61.4Low85 Ų85114.2 Ų114.270%0.70262%0.615SS**PPolyproline II helixtrans-58.2131.8168.600000108.7P79 P83P79-A81 PolarHBondContact O-N 2.91Å; A81-P83 WeakPolarHBondContact O-CD 3.11Å
82K56.2Low61.6Low199 Ų199109.5 Ų109.587%0.86559%0.591SS**PPolyproline II helixtrans-56.6124.6175.2-72.9-175.5179.4-179.20108.6V80 R84V80-K82 PolarHBondContact O-N 2.66Å; K82-R84 PolarHBondContact O-N 2.82Å; K82-R84 VanDerWaalsContact O-N 3.11Å
83P58.2Low62Low107 Ų107113.2 Ų113.270%0.69561%0.611SS**PPolyproline II helixtrans-57.7120.6177-22.932.6000109.2A81 E85A81-P83 WeakPolarHBondContact O-CD 3.11Å; P83-E85 PolarHBondContact O-N 2.98Å
84R60.5Low62.8Low183 Ų183112.5 Ų112.569%0.69160%0.602SS**PPolyproline II helixtrans-72.8124.5166.3-166.3174.8175177.1-0.3106.3K82 A86 A287K82-R84 PolarHBondContact O-N 2.82Å; K82-R84 VanDerWaalsContact O-N 3.11Å; R84-A86 PolarHBondContact O-N 2.82Å; R84-A287 HydrophobicContact CB-CB 4.33Å
85E62.3Low64Low183 Ų183117.7 Ų117.786%0.85563%0.625SS**PPolyproline II helixtrans-52.8127.3-176.9-162.8170.6175.100110.1P83P83-E85 PolarHBondContact O-N 2.98Å
86A59Low65.1Low30 Ų30115.6 Ų115.625%0.24861%0.609CS.*PPolyproline II helixtrans-67.1138.4-179.400000109.4R84 W257 Y291R84-A86 PolarHBondContact O-N 2.82Å; A86-W257 HydrophobicContact CB-CZ2 4.48Å; A86-Y291 HydrophobicContact CB-CD2 3.82Å; A86-Y291 HydrophobicContact CB-CE2 3.41Å; A86-Y291 VanDerWaalsContact CB-CE2 3.41Å
87A61.6Low66.6Low75 Ų75118.3 Ų118.362%0.6262%0.622SS**PPolyproline II helixtrans-59.5147.4174.300000110R89A87-R89 PolarHBondContact O-N 3.29Å
88R62.6Low68.1Low243 Ų243113.6 Ų113.692%0.91761%0.612SS**  trans-56.5116178.6-75.9-173.5177.2-168.2-0.8110
89R67.3Low69.8Low81 Ų81110.5 Ų110.531%0.30659%0.593SS.*  trans-67.1132.6179.7165.2173.8-84.2151.8-3.1111.3A87 P255 L256 Y291A87-R89 PolarHBondContact O-N 3.29Å; R89-P255 VanDerWaalsContact NH2-CB 3.33Å; R89-L256 PolarHBondContact NH2-O 3.47Å; R89-Y291 HydrophobicContact CB-CE2 4.2Å; R89-Y291 VanDerWaalsContact NH1-CG 3.31Å
90P67.3Low71.7Confident56 Ų56109 Ų10936%0.36458%0.583SS.*  trans-63.6141.2165.1-15.828.1000111T92 E259P90-T92 PolarHBondContact O-N 3.21Å; P90-T92 VanDerWaalsContact O-N 3.17Å; P90-T92 PolarHBondContact O-OG1 3.18Å; P90-T92 VanDerWaalsContact O-OG1 3.05Å; P90-E259 WeakPolarHBondContact CD-OE1 3.48Å; P90-E259 HydrophobicContact CG-CG 4.45Å; P90-E259 WeakPolarHBondContact CG-OE1 3.15Å
91A62Low73.5Confident103 Ų103105 Ų10585%0.85156%0.556SS**  trans-66.1114.8176.500000110.7M93A91-M93 PolarHBondContact O-N 3.12Å
92T62.4Low75.3Confident52 Ų52105.4 Ų105.432%0.31955%0.547SS..  trans-97.487.6-169-32.80000111.3P90 E94 N233 V235P90-T92 PolarHBondContact O-N 3.21Å; P90-T92 VanDerWaalsContact O-N 3.17Å; P90-T92 PolarHBondContact O-OG1 3.18Å; P90-T92 VanDerWaalsContact O-OG1 3.05Å; T92-E94 HydrophobicContact CG2-CB 3.94Å; T92-N233 VanDerWaalsContact CG2-ND2 3.25Å; T92-N233 WeakPolarHBondContact CG2-ND2 3.4Å; T92-V235 HydrophobicContact CG2-CG2 3.69Å; T92-V235 WeakPolarHBondContact OG1-CG2 3.37Å
93M69.1Low77.3Confident194 Ų19497.8 Ų97.896%0.95652%0.516SS*.  trans-88.812160-70-160.4-88.500111.9A91A91-M93 PolarHBondContact O-N 3.12Å
94E78.5Confident79.1Confident73 Ų7393.8 Ų93.834%0.34149%0.492SS..PPolyproline II helixtrans-75.5129-179.1-167.6-176.3-172.600111.2T92 K97 N233 S234T92-E94 HydrophobicContact CG2-CB 3.94Å; E94-K97 IonicContact OE1-NZ 3.96Å; E94-N233 HydrophobicContact CB-CB 4.23Å; E94-N233 HydrophobicContact CG-CB 4.14Å; E94-N233 PolarHBondContact O-ND2 3.46Å; E94-S234 WeakPolarHBondContact OE2-CB 3.21Å; E94-S234 PolarHBondContact OE2-N 3.34Å; E94-S234 PolarHBondContact OE2-OG 3.07Å
95Q88.4Confident80.8Confident167 Ų16791.9 Ų91.978%0.7849%0.491SS*.PPolyproline II helixtrans-65.3139.2174.3-65.7178.8-200110.9K97Q95-K97 PolarHBondContact O-N 3.33Å
96L91.8Very high82.4Confident67 Ų6785.5 Ų85.535%0.35147%0.467SS..PPolyproline II helixtrans-62.9133.7172.7-70166.2000110.1A231 N233 H236 K238L96-A231 HydrophobicContact CB-CB 3.93Å; L96-N233 HydrophobicContact CD2-CB 4.22Å; L96-H236 HydrophobicContact CD2-CB 4.28Å; L96-K238 HydrophobicContact CD1-CB 3.89Å; L96-K238 HydrophobicContact CD1-CD 4.11Å
97K94.9Very high84.2Confident102 Ų10284.1 Ų84.144%0.44346%0.456SS..EExtended strand (participates in β ladder)trans-110134.5175-63.4175.9-177.5165.40109.6E94 Q95 V99 A231 V232 V262E94-K97 IonicContact OE1-NZ 3.96Å; Q95-K97 PolarHBondContact O-N 3.33Å; K97-V99 PolarHBondContact O-N 3.19Å; K97-A231 CarbonylContact O-C 3.51Å; K97-A231 VanDerWaalsContact O-CA 3.23Å; K97-A231 WeakPolarHBondContact O-CA 3.39Å; K97-V232 PolarHBondContact N-O 2.92Å; K97-V232 PolarHBondContact O-N 2.79Å; K97-V262 HydrophobicContact CB-CG1 3.96Å; K97-V262 HydrophobicContact CD-CG1 4.14Å
98A95.7Very high85.8Confident71 Ų7187.1 Ų87.159%0.58745%0.451SS*.EExtended strand (participates in β ladder)trans-63.7132.7175.300000110.6L229 I230A98-L229 HydrophobicContact CB-CD1 4.02Å; A98-I230 WeakPolarHBondContact CA-O 3.44Å
99V95.8Very high87.3Confident9 Ų977.9 Ų77.96%0.05542%0.419CS..PPolyproline II helixtrans-86.3149.3175.3-58.80000110.3K97 M101 I230 V232 A267K97-V99 PolarHBondContact O-N 3.19Å; V99-M101 PolarHBondContact O-N 3.05Å; V99-I230 HydrophobicContact CG2-CB 3.76Å; V99-I230 HydrophobicContact CG2-CG2 3.54Å; V99-I230 PolarHBondContact N-O 3.32Å; V99-V232 HydrophobicContact CG1-CB 3.98Å; V99-V232 HydrophobicContact CG1-CG2 3.78Å; V99-A267 HydrophobicContact CG2-CB 4.22Å
100P96.4Very high88.6Confident75 Ų7575.3 Ų75.349%0.48741%0.412SS..PPolyproline II helixtrans-61.3129.3173.824.4-33.6000111.1S265 A267P100-S265 WeakPolarHBondContact CD-O 3.31Å; P100-A267 PolarHBondContact O-N 3.12Å
101M95.7Very high89.8Confident50 Ų5075 Ų7525%0.24640%0.404CS..EExtended strand (participates in β ladder)trans-108.5111.9179.9-71.7170.36800110.3V99 I230 A267 L269V99-M101 PolarHBondContact O-N 3.05Å; M101-I230 HydrophobicContact CE-CD1 4.24Å; M101-I230 HydrophobicContact CG-CD1 4.3Å; M101-I230 HydrophobicContact SD-CD1 4.29Å; M101-I230 HydrophobicContact SD-CG1 4.29Å; M101-A267 HydrophobicContact CG-CB 4.21Å; M101-L269 HydrophobicContact CB-CD1 3.81Å; M101-L269 HydrophobicContact CE-CD1 3.66Å; M101-L269 HydrophobicContact CE-CD2 3.54Å; M101-L269 HydrophobicContact CE-CG 4.16Å; M101-L269 HydrophobicContact CG-CD1 4.05Å
102N96.3Very high91.3Very high94 Ų9476 Ų7650%0.50339%0.391SS..EExtended strand (participates in β ladder)trans-94.7126.9177.1-67.1-54.3000110.5A267 V268 L269N102-A267 PolarHBondContact N-O 3.15Å; N102-V268 HydrophobicContact CB-CG2 4.46Å; N102-V268 CarbonylContact O-C 3.48Å; N102-V268 WeakPolarHBondContact O-CA 3.26Å; N102-L269 PolarHBondContact O-N 2.86Å
103V96.7Very high92.7Very high38 Ų3882.4 Ų82.423%0.2341%0.409CS..EExtended strand (participates in β ladder)trans-92.8112.5179-177.80000109.8L107 R108 V225V103-L107 HydrophobicContact CG1-CB 4.16Å; V103-L107 HydrophobicContact CG1-CD2 4.13Å; V103-L107 HydrophobicContact CG1-CG 4.28Å; V103-R108 HydrophobicContact CG1-CG 3.8Å; V103-R108 PolarHBondContact O-NE 3.44Å; V103-V225 HydrophobicContact CG2-CG1 4.05Å; V103-V225 HydrophobicContact CG2-CG2 3.73Å
104A96.6Very high93.7Very high23 Ų2374.8 Ų74.819%0.1937%0.369CS..  trans-69.8154.1177.800000111.8S106 L107 R108 V268 L269 N270A104-S106 PolarHBondContact O-N 2.93Å; A104-L107 PolarHBondContact O-N 3.31Å; A104-L107 VanDerWaalsContact O-N 3.07Å; A104-R108 PolarHBondContact O-N 3.47Å; A104-V268 HydrophobicContact CB-CG1 4.2Å; A104-L269 WeakPolarHBondContact CB-O 3.34Å; A104-L269 PolarHBondContact N-O 3.19Å; A104-N270 WeakPolarHBondContact CB-OD1 3.49Å
105E96Very high94.2Very high144 Ų14476.5 Ų76.567%0.67338%0.376SS*.Hα-helixtrans-55.9-34.5177.5-164.2-172.9159.100112.2L107 R108 N109E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 3.09Å; E105-R108 PolarHBondContact O-N 3.09Å; E105-N109 WeakPolarHBondContact O-CB 3.44Å; E105-N109 PolarHBondContact O-N 3.5Å; E105-N109 PolarHBondContact O-ND2 3.1Å
106S96.5Very high94.2Very high49 Ų4972.8 Ų72.834%0.34337%0.374SS..Hα-helixtrans-57.2-42.1176.865.10000112.9A104 L110 N270 A271A104-S106 PolarHBondContact O-N 2.93Å; S106-L110 WeakPolarHBondContact O-CB 3.46Å; S106-L110 PolarHBondContact O-N 3.15Å; S106-N270 WeakPolarHBondContact OG-CA 3.45Å; S106-A271 PolarHBondContact OG-N 2.92Å; S106-A271 VanDerWaalsContact OG-N 3.12Å
107L95.8Very high93.8Very high1 Ų172.9 Ų72.91%0.00538%0.38CS..Hα-helixtrans-73-39.5177.9-176.254.8000111.2V103 A104 E105 L110 W111 V225 L269V103-L107 HydrophobicContact CG1-CB 4.16Å; V103-L107 HydrophobicContact CG1-CD2 4.13Å; V103-L107 HydrophobicContact CG1-CG 4.28Å; A104-L107 PolarHBondContact O-N 3.31Å; A104-L107 VanDerWaalsContact O-N 3.07Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 3.09Å; L107-L110 HydrophobicContact CD1-CD2 4.36Å; L107-L110 WeakPolarHBondContact O-CB 3.36Å; L107-L110 PolarHBondContact O-N 3.2Å; L107-W111 VanDerWaalsContact O-CD1 3.3Å; L107-W111 PolarHBondContact O-N 3.42Å; L107-W111 VanDerWaalsContact O-N 3.08Å; L107-V225 HydrophobicContact CD2-CG2 4.36Å; L107-L269 HydrophobicContact CD2-CB 3.65Å; L107-L269 HydrophobicContact CD2-CD2 4.36Å
108R95Very high92.6Very high137 Ų13770.8 Ų70.852%0.51739%0.387SS..Hα-helixtrans-59-51.4175.9-62.3178.6-174.5-96.31.9111.2V103 A104 E105 L110 W111 E112V103-R108 HydrophobicContact CG1-CG 3.8Å; V103-R108 PolarHBondContact O-NE 3.44Å; A104-R108 PolarHBondContact O-N 3.47Å; E105-R108 PolarHBondContact O-N 3.09Å; R108-L110 VanDerWaalsContact C-N 3.27Å; R108-L110 PolarHBondContact O-N 3.05Å; R108-W111 PolarHBondContact O-N 2.86Å; R108-W111 VanDerWaalsContact O-N 3.12Å; R108-E112 WeakPolarHBondContact O-CG 3.31Å; R108-E112 PolarHBondContact O-N 3.44Å
109N95Very high91Very high49 Ų4970.7 Ų70.726%0.26238%0.377SS..Hα-helixtrans-61-35.1179-67.4-11000112.2E105 R113E105-N109 WeakPolarHBondContact O-CB 3.44Å; E105-N109 PolarHBondContact O-N 3.5Å; E105-N109 PolarHBondContact O-ND2 3.1Å; N109-R113 VanDerWaalsContact O-CG 3.26Å; N109-R113 WeakPolarHBondContact O-CG 3.47Å; N109-R113 PolarHBondContact O-N 3.26Å; N109-R113 VanDerWaalsContact O-N 3.13Å
110L94.6Very high89.1Confident27 Ų2776 Ų7614%0.14140%0.401CS..Hα-helixtrans-64.6-46.5175.3-177.671.4000111.3S106 L107 R108 R113 W114 R221 A222 A271S106-L110 WeakPolarHBondContact O-CB 3.46Å; S106-L110 PolarHBondContact O-N 3.15Å; L107-L110 HydrophobicContact CD1-CD2 4.36Å; L107-L110 WeakPolarHBondContact O-CB 3.36Å; L107-L110 PolarHBondContact O-N 3.2Å; R108-L110 VanDerWaalsContact C-N 3.27Å; R108-L110 PolarHBondContact O-N 3.05Å; L110-R113 PolarHBondContact O-N 2.96Å; L110-W114 WeakPolarHBondContact O-CB 3.48Å; L110-W114 PolarHBondContact O-N 3.07Å; L110-R221 HydrophobicContact CD2-CG 4.39Å; L110-A222 HydrophobicContact CD2-CB 3.79Å; L110-A271 HydrophobicContact CB-CB 4.41Å; L110-A271 HydrophobicContact CD2-CB 4.17Å
111W92.9Very high86.9Confident51 Ų5180 Ų8019%0.19342%0.419CS..Hα-helixtrans-66.9-40.4178.1-84.2106.4000112.5L107 R108 R113 W114 K115 T223 V224 Y245L107-W111 VanDerWaalsContact O-CD1 3.3Å; L107-W111 PolarHBondContact O-N 3.42Å; L107-W111 VanDerWaalsContact O-N 3.08Å; R108-W111 PolarHBondContact O-N 2.86Å; R108-W111 VanDerWaalsContact O-N 3.12Å; W111-R113 PolarHBondContact O-N 3.22Å; W111-W114 AromaticContact CE3-CE3 3.85Å; W111-W114 HydrophobicContact CE3-CE3 3.85Å; W111-W114 HydrophobicContact CE3-CZ3 4.34Å; W111-W114 HydrophobicContact CZ3-CD2 4.35Å; W111-W114 AromaticContact CZ3-CE3 3.71Å; W111-W114 HydrophobicContact CZ3-CE3 3.71Å; W111-W114 AromaticContact CZ3-CZ3 3.82Å; W111-W114 HydrophobicContact CZ3-CZ3 3.82Å; W111-W114 PolarHBondContact O-N 2.91Å; W111-K115 WeakPolarHBondContact O-CG 3.47Å; W111-K115 PolarHBondContact O-N 3.14Å; W111-T223 PolarHBondContact NE1-O 2.96Å; W111-T223 VanDerWaalsContact NE1-O 3.09Å; W111-V224 HydrophobicContact CH2-CG2 3.97Å; W111-V224 HydrophobicContact CZ2-CG2 3.79Å; W111-Y245 HydrophobicContact CE3-CD1 4.38Å; W111-Y245 HydrophobicContact CH2-CD1 4.02Å; W111-Y245 HydrophobicContact CZ2-CD1 4.39Å; W111-Y245 HydrophobicContact CZ3-CD1 4.02Å
112E92.2Very high84.5Confident124 Ų12480.1 Ų80.158%0.57942%0.424SS*.Hα-helixtrans-59-45.1174.6-73.8173.8-176.800111.9R108 W114 K115 A116R108-E112 WeakPolarHBondContact O-CG 3.31Å; R108-E112 PolarHBondContact O-N 3.44Å; E112-W114 VanDerWaalsContact C-N 3.34Å; E112-W114 PolarHBondContact O-N 2.8Å; E112-K115 PolarHBondContact O-N 2.84Å; E112-A116 WeakPolarHBondContact O-CB 3.49Å; E112-A116 PolarHBondContact O-N 2.9Å
113R92.9Very high82.2Confident186 Ų18679.4 Ų79.470%0.70242%0.423SS*.Hα-helixtrans-64.6-38.6175.8-71.3174.1-167.8175.84.3112.4N109 L110 W111 A116 S117N109-R113 VanDerWaalsContact O-CG 3.26Å; N109-R113 WeakPolarHBondContact O-CG 3.47Å; N109-R113 PolarHBondContact O-N 3.26Å; N109-R113 VanDerWaalsContact O-N 3.13Å; L110-R113 PolarHBondContact O-N 2.96Å; W111-R113 PolarHBondContact O-N 3.22Å; R113-A116 PolarHBondContact O-N 2.7Å; R113-S117 PolarHBondContact O-N 3.28Å; R113-S117 VanDerWaalsContact O-N 3.13Å
114W89.9Confident79.6Confident34 Ų3483.4 Ų83.413%0.12945%0.448CS..Hα-helixtrans-67.4-42.6178-175.884.2000111.5L110 W111 E112 S117 N119 E120 Y245L110-W114 WeakPolarHBondContact O-CB 3.48Å; L110-W114 PolarHBondContact O-N 3.07Å; W111-W114 AromaticContact CE3-CE3 3.85Å; W111-W114 HydrophobicContact CE3-CE3 3.85Å; W111-W114 HydrophobicContact CE3-CZ3 4.34Å; W111-W114 HydrophobicContact CZ3-CD2 4.35Å; W111-W114 AromaticContact CZ3-CE3 3.71Å; W111-W114 HydrophobicContact CZ3-CE3 3.71Å; W111-W114 AromaticContact CZ3-CZ3 3.82Å; W111-W114 HydrophobicContact CZ3-CZ3 3.82Å; W111-W114 PolarHBondContact O-N 2.91Å; E112-W114 VanDerWaalsContact C-N 3.34Å; E112-W114 PolarHBondContact O-N 2.8Å; W114-S117 PolarHBondContact O-N 3.17Å; W114-S117 VanDerWaalsContact O-N 3.15Å; W114-S117 PolarHBondContact O-OG 3.38Å; W114-N119 HydrophobicContact CD2-CB 4.29Å; W114-N119 WeakPolarHBondContact CH2-O 3.44Å; W114-N119 HydrophobicContact CZ2-CB 3.81Å; W114-N119 WeakPolarHBondContact CZ2-O 3.33Å; W114-E120 HydrophobicContact CH2-CG 4.43Å; W114-E120 HydrophobicContact CZ3-CG 3.84Å; W114-Y245 HydrophobicContact CB-CD1 4.22Å; W114-Y245 HydrophobicContact CB-CE1 3.59Å; W114-Y245 AromaticContact CD1-CD1 3.48Å; W114-Y245 VanDerWaalsContact CD1-CD1 3.48Å; W114-Y245 AromaticContact CD1-CE1 3.21Å; W114-Y245 AromaticContact CD1-CE2 3.9Å; W114-Y245 AromaticContact CD1-CG 3.94Å; W114-Y245 AromaticContact CD1-CZ 3.41Å; W114-Y245 VanDerWaalsContact CD1-CZ 3.41Å; W114-Y245 AromaticContact CD2-CD1 3.63Å; W114-Y245 HydrophobicContact CD2-CD1 3.63Å; W114-Y245 AromaticContact CD2-CE1 3.93Å; W114-Y245 HydrophobicContact CD2-CE1 3.93Å; W114-Y245 HydrophobicContact CD2-CG 4.34Å; W114-Y245 AromaticContact CE2-CD1 3.66Å; W114-Y245 AromaticContact CE2-CG 3.88Å; W114-Y245 HydrophobicContact CE3-CD1 4.4Å; W114-Y245 AromaticContact CG-CD1 3.52Å; W114-Y245 HydrophobicContact CG-CD1 3.52Å; W114-Y245 AromaticContact CG-CE1 3.27Å; W114-Y245 HydrophobicContact CG-CE1 3.27Å; W114-Y245 HydrophobicContact CG-CG 4.36Å; W114-Y245 AromaticContact CG-CZ 3.93Å; W114-Y245 HydrophobicContact CZ2-CD1 4.43Å; W114-Y245 HydrophobicContact CZ2-CG 4.4Å; W114-Y245 AromaticContact NE1-CD1 3.53Å; W114-Y245 AromaticContact NE1-CD2 3.91Å; W114-Y245 AromaticContact NE1-CE1 3.77Å; W114-Y245 AromaticContact NE1-CG 3.6Å
115K89.7Confident76.7Confident108 Ų10887.4 Ų87.447%0.4747%0.474SS..Hα-helixtrans-62-44.4173.2-70.9-179.2178.6-168.20111.9W111 E112 S117 G118 E120W111-K115 WeakPolarHBondContact O-CG 3.47Å; W111-K115 PolarHBondContact O-N 3.14Å; E112-K115 PolarHBondContact O-N 2.84Å; K115-S117 PolarHBondContact O-N 3.29Å; K115-S117 VanDerWaalsContact O-N 3.15Å; K115-G118 PolarHBondContact O-N 3.31Å; K115-G118 VanDerWaalsContact O-N 3.11Å; K115-E120 HydrophobicContact CG-CG 4.4Å
116A88.5Confident73.9Confident90 Ų9086.5 Ų86.574%0.74447%0.474SS*.Hα-helixtrans-62.2-21.7176.500000113.6E112 R113 G118E112-A116 WeakPolarHBondContact O-CB 3.49Å; E112-A116 PolarHBondContact O-N 2.9Å; R113-A116 PolarHBondContact O-N 2.7Å; A116-G118 PolarHBondContact O-N 2.83Å
117S82Confident71.6Confident69 Ų6990.2 Ų90.248%0.48349%0.489SS..THydrogen-bonded Turntrans-78.2-1.2176.7700000114.7R113 W114 K115 N119R113-S117 PolarHBondContact O-N 3.28Å; R113-S117 VanDerWaalsContact O-N 3.13Å; W114-S117 PolarHBondContact O-N 3.17Å; W114-S117 VanDerWaalsContact O-N 3.15Å; W114-S117 PolarHBondContact O-OG 3.38Å; K115-S117 PolarHBondContact O-N 3.29Å; K115-S117 VanDerWaalsContact O-N 3.15Å; S117-N119 PolarHBondContact O-N 3.39Å; S117-N119 PolarHBondContact OG-ND2 3.46Å
118G70.7Confident69Low58 Ų5895.1 Ų95.160%0.59852%0.519SS*.THydrogen-bonded Turntrans71.816179.700000114.2K115 A116 E120K115-G118 PolarHBondContact O-N 3.31Å; K115-G118 VanDerWaalsContact O-N 3.11Å; A116-G118 PolarHBondContact O-N 2.83Å; G118-E120 VanDerWaalsContact C-N 3.26Å; G118-E120 PolarHBondContact O-N 2.91Å
119N62.8Low66.7Low69 Ų6996.6 Ų96.637%0.36954%0.537SS..G310 helixtrans-813.6-179.2-86.8-24.9000114.2W114 S117 D121 S122W114-N119 HydrophobicContact CD2-CB 4.29Å; W114-N119 WeakPolarHBondContact CH2-O 3.44Å; W114-N119 HydrophobicContact CZ2-CB 3.81Å; W114-N119 WeakPolarHBondContact CZ2-O 3.33Å; S117-N119 PolarHBondContact O-N 3.39Å; S117-N119 PolarHBondContact OG-ND2 3.46Å; N119-D121 PolarHBondContact O-N 3.1Å; N119-S122 PolarHBondContact O-N 3Å
120E55.7Low64.9Low119 Ų119103.1 Ų103.156%0.55656%0.563SS**G310 helixtrans-62.1-23.4179.2-87-178.8136.100113W114 K115 G118W114-E120 HydrophobicContact CH2-CG 4.43Å; W114-E120 HydrophobicContact CZ3-CG 3.84Å; K115-E120 HydrophobicContact CG-CG 4.4Å; G118-E120 VanDerWaalsContact C-N 3.26Å; G118-E120 PolarHBondContact O-N 2.91Å
121D49.8Very low63.7Low161 Ų161106.1 Ų106.186%0.86158%0.577SS**G310 helixtrans-1063.4-179.8-68.4-37.4000114.9N119N119-D121 PolarHBondContact O-N 3.1Å
122S44.8Very low63.1Low52 Ų52104.7 Ų104.736%0.36458%0.575SS.*  trans-11242.9-177.9-159.80000112.8N119 T124N119-S122 PolarHBondContact O-N 3Å; S122-T124 VanDerWaalsContact C-N 3.29Å
123V48.4Very low62.8Low79 Ų79102.3 Ų102.348%0.47957%0.569SS.*SBendtrans-10051.4165.2-169.10000108.4
124T40.9Very low62.6Low121 Ų12193.8 Ų93.874%0.74254%0.538SS*.SBendtrans176.6127160.618.50000107.9S122S122-T124 VanDerWaalsContact C-N 3.29Å
125S35.7Very low62.4Low107 Ų10797 Ų9775%0.74855%0.553SS**  trans66.181.1166.858.20000119.2
126D38.7Very low62.4Low126 Ų12693.6 Ų93.667%0.67454%0.54SS*.  trans-134.365.9143.3-101-34.4000110.2T128D126-T128 PolarHBondContact O-N 3.38Å
127I47Very low62.3Low126 Ų12691 Ų9165%0.64652%0.518SS*.  trans-86.371.6162.1-55.8177.2000106.8H194I127-H194 HydrophobicContact CD1-CB 4.45Å
128T41.3Very low62.5Low104 Ų10489.5 Ų89.564%0.63851%0.514SS*.  trans-93.392.2165.2400000108.3D126 K130D126-T128 PolarHBondContact O-N 3.38Å; T128-K130 PolarHBondContact O-N 3.08Å; T128-K130 VanDerWaalsContact O-N 3.1Å
129N47.2Very low63.4Low169 Ų16987.7 Ų87.790%0.90449%0.492SS*.SBendtrans54.834.4155-109.5-12000118.9
130K56.9Low64.3Low186 Ų18686.8 Ų86.881%0.80950%0.499SS*.PPolyproline II helixtrans-93.3119.7166.5-71.5176.8-176.4166.30109.5T128 A132T128-K130 PolarHBondContact O-N 3.08Å; T128-K130 VanDerWaalsContact O-N 3.1Å; K130-A132 PolarHBondContact O-N 2.82Å
131E70.5Confident65.8Low90 Ų9083.9 Ų83.942%0.42149%0.485SS..PPolyproline II helixtrans-51.6127.3178.8-65.9171.115900110.4V133 L142 K144E131-V133 PolarHBondContact O-N 3.15Å; E131-L142 HydrophobicContact CB-CD2 3.95Å; E131-K144 HydrophobicContact CG-CD 4.38Å; E131-K144 WeakPolarHBondContact OE1-CD 3.22Å; E131-K144 WeakPolarHBondContact OE1-CE 3.19Å; E131-K144 IonicContact OE1-NZ 2.71Å; E131-K144 PolarHBondContact OE1-NZ 2.72Å
132A80.4Confident67.6Low20 Ų2078.6 Ų78.617%0.16546%0.457CS..PPolyproline II helixtrans-65.1126.2-179.100000109.9K130 S143 F192K130-A132 PolarHBondContact O-N 2.82Å; A132-S143 WeakPolarHBondContact O-CB 3.5Å; A132-S143 PolarHBondContact O-N 2.71Å; A132-F192 HydrophobicContact CB-CB 4.18Å; A132-F192 HydrophobicContact CB-CD1 4.27Å
133V85.3Confident69.6Low75 Ų7579 Ų7946%0.45546%0.46SS..BIsolated β-bridgetrans-95.5137.2174.7179.80000108.5E131 K135 L142E131-V133 PolarHBondContact O-N 3.15Å; V133-K135 PolarHBondContact O-N 3.44Å; V133-L142 HydrophobicContact CG2-CD2 3.6Å
134C88.2Confident71.2Confident6 Ų682.9 Ų82.94%0.04147%0.47CS..PPolyproline II helixtrans-59.2125.8175.7-178.60000110.1N136 C139 Q141 H190 D191 F192C134-N136 VanDerWaalsContact C-N 3.34Å; C134-C139 HydrophobicContact CB-CB 4.21Å; C134-C139 WeakPolarHBondContact CB-SG 3.43Å; C134-C139 PolarHBondContact SG-SG 3.49Å; C134-Q141 PolarHBondContact N-O 3.39Å; C134-H190 PolarHBondContact SG-ND1 3.31Å; C134-H190 VanDerWaalsContact SG-ND1 3.39Å; C134-D191 WeakPolarHBondContact CA-O 3.47Å; C134-F192 HydrophobicContact CB-CD1 4.26Å; C134-F192 HydrophobicContact CB-CE1 3.61Å; C134-F192 HydrophobicContact CB-CZ 4.08Å
135K85.7Confident73.4Confident103 Ų10384.3 Ų84.345%0.44847%0.468SS..  trans-82-10-177.3-67.1175175.5172.60114.1V133 D191 S193V133-K135 PolarHBondContact O-N 3.44Å; K135-D191 HydrophobicContact CB-CB 4.34Å; K135-D191 PolarHBondContact N-O 2.69Å; K135-S193 PolarHBondContact NZ-O 2.89Å
136N89.2Confident75.6Confident35 Ų3580.7 Ų80.719%0.18745%0.445CS..SBendtrans-65.5135178.1-67.6-25.3000111.1C134 G138 C139 C150 Y152 D189C134-N136 VanDerWaalsContact C-N 3.34Å; N136-G138 PolarHBondContact O-N 2.77Å; N136-C139 HydrophobicContact CB-CB 4.26Å; N136-C139 WeakPolarHBondContact O-CB 3.31Å; N136-C139 PolarHBondContact O-N 3.15Å; N136-C139 VanDerWaalsContact O-N 3.12Å; N136-C150 PolarHBondContact ND2-SG 3.11Å; N136-Y152 HydrophobicContact CB-CD1 4.38Å; N136-Y152 HydrophobicContact CB-CD2 4.13Å; N136-Y152 HydrophobicContact CB-CG 3.77Å; N136-D189 PolarHBondContact ND2-O 3.02Å
137A88.3Confident77.9Confident36 Ų3677.3 Ų77.330%0.29843%0.431SS..THydrogen-bonded Turntrans-62125.3-175.300000112.2C139 Y152 H153 W166A137-C139 VanDerWaalsContact C-N 3.33Å; A137-Y152 CarbonylContact O-C 3.2Å; A137-Y152 VanDerWaalsContact O-CA 3.24Å; A137-Y152 WeakPolarHBondContact O-CA 3.38Å; A137-Y152 WeakPolarHBondContact O-CB 3.26Å; A137-H153 HydrophobicContact CB-CB 4.41Å; A137-H153 PolarHBondContact O-N 3.17Å; A137-W166 HydrophobicContact CB-CH2 3.67Å; A137-W166 HydrophobicContact CB-CZ2 4.43Å; A137-W166 HydrophobicContact CB-CZ3 3.79Å
138G85.8Confident79.9Confident38 Ų3879.4 Ų79.439%0.39244%0.444SS..THydrogen-bonded Turntrans83.8-3.2-178.700000115.4N136N136-G138 PolarHBondContact O-N 2.77Å
139C88.2Confident82.2Confident20 Ų2078.4 Ų78.414%0.13543%0.432CS..THydrogen-bonded Turntrans-84.9-68.3175.7174.70000112C134 N136 A137 Q141 C150 H190C134-C139 HydrophobicContact CB-CB 4.21Å; C134-C139 WeakPolarHBondContact CB-SG 3.43Å; C134-C139 PolarHBondContact SG-SG 3.49Å; N136-C139 HydrophobicContact CB-CB 4.26Å; N136-C139 WeakPolarHBondContact O-CB 3.31Å; N136-C139 PolarHBondContact O-N 3.15Å; N136-C139 VanDerWaalsContact O-N 3.12Å; A137-C139 VanDerWaalsContact C-N 3.33Å; C139-Q141 PolarHBondContact O-N 3.2Å; C139-Q141 PolarHBondContact SG-OE1 2.91Å; C139-C150 VanDerWaalsContact CB-SG 3.56Å; C139-H190 PolarHBondContact SG-CE1 3.36Å; C139-H190 PolarHBondContact SG-ND1 3.3Å; C139-H190 VanDerWaalsContact SG-ND1 3.36Å
140G82.9Confident84.4Confident50 Ų5070.3 Ų70.352%0.51539%0.389SS..  trans61.89177.400000116.3
141Q87.4Confident86.1Confident58 Ų5864.4 Ų64.427%0.27137%0.366SS..  trans-68.8144.6178.4-74.3172.9-8300111.1C134 C139 A146 S147 H190 F192C134-Q141 PolarHBondContact N-O 3.39Å; C139-Q141 PolarHBondContact O-N 3.2Å; C139-Q141 PolarHBondContact SG-OE1 2.91Å; Q141-A146 HydrophobicContact CB-CB 4.43Å; Q141-S147 PolarHBondContact NE2-OG 2.76Å; Q141-S147 VanDerWaalsContact NE2-OG 3.08Å; Q141-S147 PolarHBondContact OE1-OG 2.83Å; Q141-H190 PolarHBondContact OE1-CE1 3.19Å; Q141-F192 WeakPolarHBondContact O-CE1 3.31Å
142L87.1Confident87.2Confident50 Ų5062.7 Ų62.726%0.26236%0.356SS..BIsolated β-bridgetrans-79.1140.9173-66.9165.6000109.5E131 V133 K144 E145 A146E131-L142 HydrophobicContact CB-CD2 3.95Å; V133-L142 HydrophobicContact CG2-CD2 3.6Å; L142-K144 PolarHBondContact O-N 2.85Å; L142-E145 CarbonylContact O-C 3.46Å; L142-E145 PolarHBondContact O-N 2.62Å; L142-A146 PolarHBondContact O-N 3.02Å
143S85.9Confident87.7Confident61 Ų6162 Ų6243%0.42735%0.349SS..THydrogen-bonded Turntrans-55.6-24.3-176.71790000114.6A132A132-S143 WeakPolarHBondContact O-CB 3.5Å; A132-S143 PolarHBondContact O-N 2.71Å
144K83.1Confident88Confident160 Ų16062.2 Ų62.270%0.69635%0.352SS*.THydrogen-bonded Turntrans-82-24.4177.2-67.2-176.7-175.21660113.9E131 L142E131-K144 HydrophobicContact CG-CD 4.38Å; E131-K144 WeakPolarHBondContact OE1-CD 3.22Å; E131-K144 WeakPolarHBondContact OE1-CE 3.19Å; E131-K144 IonicContact OE1-NZ 2.71Å; E131-K144 PolarHBondContact OE1-NZ 2.72Å; L142-K144 PolarHBondContact O-N 2.85Å
145E86.3Confident88Confident150 Ų15062.7 Ų62.770%0.70136%0.357SS*.THydrogen-bonded Turntrans-11711.1-174.2-58.7-179.4172.100111.4L142L142-E145 CarbonylContact O-C 3.46Å; L142-E145 PolarHBondContact O-N 2.62Å
146A82Confident88Confident31 Ų3162.9 Ų62.926%0.25636%0.362SS..  trans-70.4137.6-178.900000110.1Q141 L142 F192Q141-A146 HydrophobicContact CB-CB 4.43Å; L142-A146 PolarHBondContact O-N 3.02Å; A146-F192 HydrophobicContact CB-CE2 3.9Å; A146-F192 HydrophobicContact CB-CZ 3.45Å; A146-F192 VanDerWaalsContact CB-CZ 3.45Å
147S87.4Confident88Confident56 Ų5663.4 Ų63.439%0.39237%0.368SS..  trans-68.5165.2166.739.10000110.6Q141 E149 H190Q141-S147 PolarHBondContact NE2-OG 2.76Å; Q141-S147 VanDerWaalsContact NE2-OG 3.08Å; Q141-S147 PolarHBondContact OE1-OG 2.83Å; S147-E149 PolarHBondContact O-N 2.82Å; S147-E149 PolarHBondContact OG-O 2.87Å; S147-H190 PolarHBondContact O-CD2 3.3Å; S147-H190 PolarHBondContact O-NE2 2.99Å
148D88Confident87.9Confident169 Ų16963.3 Ų63.390%0.90436%0.363SS*.SBendtrans-64.5-25.8173.2-66.5-27.5000112.1
149E91.1Very high88.1Confident83 Ų8366.2 Ų66.239%0.38837%0.365SS..SBendtrans-116.7129.9-178.4-169-177.9-127.500110.8S147 K187S147-E149 PolarHBondContact O-N 2.82Å; S147-E149 PolarHBondContact OG-O 2.87Å; E149-K187 VanDerWaalsContact CD-CG 3.45Å; E149-K187 HydrophobicContact CG-CB 4.01Å; E149-K187 HydrophobicContact CG-CG 4.11Å; E149-K187 WeakPolarHBondContact OE1-CB 3.22Å; E149-K187 WeakPolarHBondContact OE1-CD 3.49Å; E149-K187 VanDerWaalsContact OE1-CG 3.27Å; E149-K187 WeakPolarHBondContact OE1-CG 3.45Å; E149-K187 IonicContact OE1-NZ 2.94Å; E149-K187 PolarHBondContact OE1-NZ 2.85Å; E149-K187 WeakPolarHBondContact OE2-CE 3.33Å; E149-K187 IonicContact OE2-NZ 2.68Å; E149-K187 PolarHBondContact OE2-NZ 2.84Å
150C92.6Very high87.8Confident0 Ų069.7 Ų69.70%038%0.379CS..EExtended strand (participates in β ladder)trans-91.1123.6174.2-177.50000110.4N136 C139 Y152 K187 G188 H190N136-C150 PolarHBondContact ND2-SG 3.11Å; C139-C150 VanDerWaalsContact CB-SG 3.56Å; C150-Y152 HydrophobicContact CB-CD1 4.41Å; C150-K187 CarbonylContact O-C 3.47Å; C150-K187 WeakPolarHBondContact O-CA 3.24Å; C150-G188 WeakPolarHBondContact CA-O 3.32Å; C150-G188 VanDerWaalsContact CB-O 3.22Å; C150-G188 WeakPolarHBondContact CB-O 3.29Å; C150-G188 PolarHBondContact N-O 2.81Å; C150-G188 PolarHBondContact O-N 3.44Å; C150-H190 HydrophobicContact CB-CB 4.4Å
151L93Very high88Confident62 Ų6275.1 Ų75.133%0.32539%0.391SS..EExtended strand (participates in β ladder)trans-95.6116.2167.2-64.2178000110T183 T186 K187L151-T183 HydrophobicContact CB-CG2 4.14Å; L151-T183 HydrophobicContact CD1-CG2 3.71Å; L151-T186 WeakPolarHBondContact CA-O 3.49Å; L151-K187 HydrophobicContact CD2-CB 4.41Å; L151-K187 HydrophobicContact CD2-CD 4.44Å; L151-K187 HydrophobicContact CD2-CG 3.37Å
152Y93.3Very high88Confident54 Ų5474.8 Ų74.821%0.21240%0.404CS..EExtended strand (participates in β ladder)trans-142.8169.7-177.668.8-79.6000114.2N136 A137 C150 P154 G184 C185 T186N136-Y152 HydrophobicContact CB-CD1 4.38Å; N136-Y152 HydrophobicContact CB-CD2 4.13Å; N136-Y152 HydrophobicContact CB-CG 3.77Å; A137-Y152 CarbonylContact O-C 3.2Å; A137-Y152 VanDerWaalsContact O-CA 3.24Å; A137-Y152 WeakPolarHBondContact O-CA 3.38Å; A137-Y152 WeakPolarHBondContact O-CB 3.26Å; C150-Y152 HydrophobicContact CB-CD1 4.41Å; Y152-P154 HydrophobicContact CE2-CB 4.23Å; Y152-G184 CarbonylContact O-C 3.55Å; Y152-G184 WeakPolarHBondContact O-CA 3.39Å; Y152-C185 PolarHBondContact O-N 2.77Å; Y152-T186 WeakPolarHBondContact CD1-O 3.33Å; Y152-T186 HydrophobicContact CE1-CG2 4.2Å; Y152-T186 PolarHBondContact N-O 3.11Å; Y152-T186 PolarHBondContact O-N 2.77Å
153H91.4Very high88Confident5 Ų573.7 Ų73.72%0.02340%0.398CS..  trans-102.9115.4173.3-69.1-64.4000110.4A137 G155 W166 C168 T183 C185A137-H153 HydrophobicContact CB-CB 4.41Å; A137-H153 PolarHBondContact O-N 3.17Å; H153-G155 PolarHBondContact O-N 3.31Å; H153-W166 HydrophobicContact CB-CB 4.24Å; H153-W166 HydrophobicContact CB-CD2 3.67Å; H153-W166 HydrophobicContact CB-CE3 3.76Å; H153-W166 HydrophobicContact CB-CG 3.88Å; H153-W166 HydrophobicContact CB-CZ3 4.35Å; H153-W166 AromaticContact CD2-CD1 3.26Å; H153-W166 AromaticContact CD2-CD2 3.73Å; H153-W166 AromaticContact CD2-CE2 3.54Å; H153-W166 AromaticContact CD2-CG 3.6Å; H153-W166 AromaticContact CD2-NE1 3.22Å; H153-W166 PolarHBondContact CD2-NE1 2.97Å; H153-W166 AromaticContact CE1-CD1 3.7Å; H153-W166 AromaticContact CG-CD1 3.62Å; H153-W166 AromaticContact CG-CD2 3.7Å; H153-W166 AromaticContact CG-CG 3.48Å; H153-W166 VanDerWaalsContact CG-CG 3.48Å; H153-W166 AromaticContact CG-NE1 3.93Å; H153-W166 AromaticContact ND1-CD1 3.87Å; H153-W166 AromaticContact ND1-CG 3.81Å; H153-W166 AromaticContact NE2-CD1 3.31Å; H153-W166 VanDerWaalsContact NE2-CD1 3.31Å; H153-W166 AromaticContact NE2-CG 3.97Å; H153-W166 AromaticContact NE2-NE1 3.54Å; H153-C168 PolarHBondContact ND1-SG 3.37Å; H153-C168 VanDerWaalsContact ND1-SG 3.43Å; H153-T183 PolarHBondContact CE1-O 2.99Å; H153-T183 VanDerWaalsContact CE1-O 3.25Å; H153-T183 PolarHBondContact NE2-O 2.75Å; H153-C185 PolarHBondContact ND1-SG 3.24Å; H153-C185 VanDerWaalsContact ND1-SG 3.43Å
154P91.1Very high88.3Confident80 Ų8072.6 Ų72.652%0.51939%0.386SS..  trans-76.3-10.8173.329.7-35.4000112.9Y152 C168 T186Y152-P154 HydrophobicContact CE2-CB 4.23Å; P154-C168 HydrophobicContact CG-CB 3.91Å; P154-T186 VanDerWaalsContact CD-OG1 3.25Å; P154-T186 WeakPolarHBondContact CD-OG1 2.94Å; P154-T186 WeakPolarHBondContact CG-OG1 3.4Å
155G87Confident88.6Confident15 Ų1565.9 Ų65.916%0.15536%0.356CS..SBendtrans-85.5177.7178.800000113.5H153 S167H153-G155 PolarHBondContact O-N 3.31Å; G155-S167 VanDerWaalsContact CA-OG 3.27Å; G155-S167 WeakPolarHBondContact CA-OG 3.27Å
156I86.4Confident88.8Confident108 Ų10860.1 Ų60.155%0.55433%0.328SS*.  trans-97.8152.8176.759.9167.9000111V158 S167I156-V158 HydrophobicContact CG1-CG2 4.47Å; I156-S167 PolarHBondContact N-OG 3.04Å; I156-S167 PolarHBondContact O-N 2.73Å
157P88.8Confident89.2Confident46 Ų4661 Ų6130%0.29933%0.332SS..EExtended strand (participates in β ladder)trans-66.5134.9170.429.4-35.6000110.5F159 W166 F179P157-F159 HydrophobicContact CB-CE1 4.49Å; P157-F159 HydrophobicContact CB-CE2 4.22Å; P157-F159 HydrophobicContact CB-CZ 3.89Å; P157-W166 HydrophobicContact CB-CZ3 4.29Å; P157-W166 HydrophobicContact CG-CZ3 4.41Å; P157-F179 HydrophobicContact CB-CE1 4.15Å; P157-F179 HydrophobicContact CB-CZ 3.61Å
158V86.2Confident89.3Confident34 Ų3460.7 Ų60.721%0.20633%0.33CS..EExtended strand (participates in β ladder)trans-123.3128.6176.2-173.10000109.4I156 K164 Y165I156-V158 HydrophobicContact CG1-CG2 4.47Å; V158-K164 WeakPolarHBondContact O-CA 3.19Å; V158-Y165 HydrophobicContact CB-CD1 4.15Å; V158-Y165 HydrophobicContact CB-CD2 4.04Å; V158-Y165 HydrophobicContact CB-CE1 3.76Å; V158-Y165 HydrophobicContact CB-CE2 3.65Å; V158-Y165 HydrophobicContact CB-CG 4.29Å; V158-Y165 HydrophobicContact CG1-CD1 4.47Å; V158-Y165 HydrophobicContact CG1-CE1 3.65Å; V158-Y165 HydrophobicContact CG1-CE2 4.03Å; V158-Y165 VanDerWaalsContact CG1-OH 3.32Å; V158-Y165 WeakPolarHBondContact CG1-OH 3.39Å; V158-Y165 HydrophobicContact CG2-CD2 4.31Å; V158-Y165 HydrophobicContact CG2-CE2 3.82Å; V158-Y165 PolarHBondContact N-O 2.83Å; V158-Y165 PolarHBondContact O-N 3.26Å
159F90.8Very high89.2Confident98 Ų9854 Ų5443%0.4330%0.296SS..EExtended strand (participates in β ladder)trans-123103.8177.6-50.5-56.1000108.9P157 L163 K164 F176 F179P157-F159 HydrophobicContact CB-CE1 4.49Å; P157-F159 HydrophobicContact CB-CE2 4.22Å; P157-F159 HydrophobicContact CB-CZ 3.89Å; F159-L163 WeakPolarHBondContact CA-O 3.41Å; F159-K164 HydrophobicContact CD1-CB 3.74Å; F159-K164 HydrophobicContact CD1-CD 4.3Å; F159-K164 HydrophobicContact CD1-CG 3.68Å; F159-K164 HydrophobicContact CE1-CB 3.94Å; F159-K164 HydrophobicContact CE1-CD 4.36Å; F159-K164 HydrophobicContact CE1-CG 4.11Å; F159-F176 HydrophobicContact CE1-CE2 4.33Å; F159-F176 HydrophobicContact CZ-CE2 4.12Å; F159-F179 AromaticContact CE1-CD1 3.94Å; F159-F179 HydrophobicContact CE1-CD1 3.94Å; F159-F179 AromaticContact CE1-CE1 3.81Å; F159-F179 HydrophobicContact CE1-CE1 3.81Å; F159-F179 HydrophobicContact CE1-CG 4.39Å; F159-F179 HydrophobicContact CE1-CZ 4.17Å; F159-F179 HydrophobicContact CZ-CD1 4.32Å; F159-F179 AromaticContact CZ-CE1 3.88Å; F159-F179 HydrophobicContact CZ-CE1 3.88Å; F159-F179 HydrophobicContact CZ-CZ 4.36Å
160H82Confident88.8Confident93 Ų9354.5 Ų54.543%0.43130%0.297SS..EExtended strand (participates in β ladder)trans-140.6132.4-176.1-166.5-95.1000109.6G162 L163H160-G162 PolarHBondContact O-N 2.83Å; H160-G162 VanDerWaalsContact O-N 3.16Å; H160-L163 PolarHBondContact N-O 3.27Å; H160-L163 WeakPolarHBondContact O-CA 3.3Å; H160-L163 VanDerWaalsContact O-CB 3.3Å; H160-L163 WeakPolarHBondContact O-CB 3.38Å; H160-L163 PolarHBondContact O-N 3.35Å
161E86.7Confident88.5Confident164 Ų16459.6 Ų59.677%0.76632%0.319SS*.THydrogen-bonded Turntrans52.936.7177-69.3173.2-176.300114.6L163E161-L163 PolarHBondContact O-N 3.23Å
162G87.2Confident88.2Confident52 Ų5257 Ų5754%0.53631%0.307SS..THydrogen-bonded Turntrans80.2-11.2-178.300000114.7H160 K164H160-G162 PolarHBondContact O-N 2.83Å; H160-G162 VanDerWaalsContact O-N 3.16Å; G162-K164 PolarHBondContact O-NZ 3.22Å
163L88.3Confident88Confident26 Ų2655.4 Ų55.414%0.13630%0.303CS..EExtended strand (participates in β ladder)trans-82.2149.2173.9-133.390.3000111.4Y76 F159 H160 E161 Y165 T173 T174Y76-L163 HydrophobicContact CG-CD2 4.5Å; F159-L163 WeakPolarHBondContact CA-O 3.41Å; H160-L163 PolarHBondContact N-O 3.27Å; H160-L163 WeakPolarHBondContact O-CA 3.3Å; H160-L163 VanDerWaalsContact O-CB 3.3Å; H160-L163 WeakPolarHBondContact O-CB 3.38Å; H160-L163 PolarHBondContact O-N 3.35Å; E161-L163 PolarHBondContact O-N 3.23Å; L163-Y165 HydrophobicContact CD2-CD1 4.27Å; L163-T173 CarbonylContact C-O 3.58Å; L163-T174 HydrophobicContact CD1-CG2 4.28Å
164K90.4Very high87.9Confident39 Ų3959 Ų5917%0.1733%0.325CS..EExtended strand (participates in β ladder)trans-134.1126-178.8-49.2178.5172.961.90108.7V158 F159 G162 G172 T173 T174 F176 F179V158-K164 WeakPolarHBondContact O-CA 3.19Å; F159-K164 HydrophobicContact CD1-CB 3.74Å; F159-K164 HydrophobicContact CD1-CD 4.3Å; F159-K164 HydrophobicContact CD1-CG 3.68Å; F159-K164 HydrophobicContact CE1-CB 3.94Å; F159-K164 HydrophobicContact CE1-CD 4.36Å; F159-K164 HydrophobicContact CE1-CG 4.11Å; G162-K164 PolarHBondContact O-NZ 3.22Å; K164-G172 CarbonylContact O-C 3.55Å; K164-G172 WeakPolarHBondContact O-CA 3.42Å; K164-T173 HydrophobicContact CB-CG2 4.21Å; K164-T173 WeakPolarHBondContact CB-O 3.39Å; K164-T173 PolarHBondContact N-O 3.16Å; K164-T173 PolarHBondContact O-N 3.23Å; K164-T174 PolarHBondContact NZ-O 3.26Å; K164-F176 HydrophobicContact CD-CB 3.98Å; K164-F176 HydrophobicContact CD-CD2 3.87Å; K164-F176 HydrophobicContact CD-CG 4.42Å; K164-F179 HydrophobicContact CB-CB 3.88Å; K164-F179 HydrophobicContact CB-CD2 3.88Å; K164-F179 HydrophobicContact CB-CG 3.86Å; K164-F179 HydrophobicContact CD-CB 4.22Å
165Y91Very high87.9Confident19 Ų1958.9 Ų58.98%0.07532%0.32CS..EExtended strand (participates in β ladder)trans-158.4164.5-177.462-85.1000112.5Y76 V158 L163 K170 K171Y76-Y165 HydrophobicContact CD1-CE1 4.22Å; V158-Y165 HydrophobicContact CB-CD1 4.15Å; V158-Y165 HydrophobicContact CB-CD2 4.04Å; V158-Y165 HydrophobicContact CB-CE1 3.76Å; V158-Y165 HydrophobicContact CB-CE2 3.65Å; V158-Y165 HydrophobicContact CB-CG 4.29Å; V158-Y165 HydrophobicContact CG1-CD1 4.47Å; V158-Y165 HydrophobicContact CG1-CE1 3.65Å; V158-Y165 HydrophobicContact CG1-CE2 4.03Å; V158-Y165 VanDerWaalsContact CG1-OH 3.32Å; V158-Y165 WeakPolarHBondContact CG1-OH 3.39Å; V158-Y165 HydrophobicContact CG2-CD2 4.31Å; V158-Y165 HydrophobicContact CG2-CE2 3.82Å; V158-Y165 PolarHBondContact N-O 2.83Å; V158-Y165 PolarHBondContact O-N 3.26Å; L163-Y165 HydrophobicContact CD2-CD1 4.27Å; Y165-K170 HydrophobicContact CD2-CB 4.41Å; Y165-K170 HydrophobicContact CD2-CG 4.39Å; Y165-K170 HydrophobicContact CE2-CG 4.38Å; Y165-K171 WeakPolarHBondContact CB-O 3.36Å
166W90.6Very high87.9Confident28 Ų2863.2 Ų63.211%0.10634%0.335CS..EExtended strand (participates in β ladder)trans-92.4134.9169.8-64.897.6000111.1A137 H153 P157 C168 C169 K170 F179 Q182A137-W166 HydrophobicContact CB-CH2 3.67Å; A137-W166 HydrophobicContact CB-CZ2 4.43Å; A137-W166 HydrophobicContact CB-CZ3 3.79Å; H153-W166 HydrophobicContact CB-CB 4.24Å; H153-W166 HydrophobicContact CB-CD2 3.67Å; H153-W166 HydrophobicContact CB-CE3 3.76Å; H153-W166 HydrophobicContact CB-CG 3.88Å; H153-W166 HydrophobicContact CB-CZ3 4.35Å; H153-W166 AromaticContact CD2-CD1 3.26Å; H153-W166 AromaticContact CD2-CD2 3.73Å; H153-W166 AromaticContact CD2-CE2 3.54Å; H153-W166 AromaticContact CD2-CG 3.6Å; H153-W166 AromaticContact CD2-NE1 3.22Å; H153-W166 PolarHBondContact CD2-NE1 2.97Å; H153-W166 AromaticContact CE1-CD1 3.7Å; H153-W166 AromaticContact CG-CD1 3.62Å; H153-W166 AromaticContact CG-CD2 3.7Å; H153-W166 AromaticContact CG-CG 3.48Å; H153-W166 VanDerWaalsContact CG-CG 3.48Å; H153-W166 AromaticContact CG-NE1 3.93Å; H153-W166 AromaticContact ND1-CD1 3.87Å; H153-W166 AromaticContact ND1-CG 3.81Å; H153-W166 AromaticContact NE2-CD1 3.31Å; H153-W166 VanDerWaalsContact NE2-CD1 3.31Å; H153-W166 AromaticContact NE2-CG 3.97Å; H153-W166 AromaticContact NE2-NE1 3.54Å; P157-W166 HydrophobicContact CB-CZ3 4.29Å; P157-W166 HydrophobicContact CG-CZ3 4.41Å; W166-C168 PolarHBondContact O-N 2.86Å; W166-C168 VanDerWaalsContact O-N 3.11Å; W166-C169 PolarHBondContact O-N 2.8Å; W166-K170 WeakPolarHBondContact O-CA 3.36Å; W166-K170 PolarHBondContact O-N 3.1Å; W166-F179 AromaticContact CD1-CE2 3.67Å; W166-F179 HydrophobicContact CD2-CE2 4.12Å; W166-F179 HydrophobicContact CD2-CZ 4.02Å; W166-F179 AromaticContact CE2-CE2 3.74Å; W166-F179 AromaticContact CE2-CZ 3.48Å; W166-F179 VanDerWaalsContact CE2-CZ 3.48Å; W166-F179 HydrophobicContact CG-CE2 4.08Å; W166-F179 HydrophobicContact CG-CZ 4.46Å; W166-F179 HydrophobicContact CH2-CZ 4.31Å; W166-F179 HydrophobicContact CZ2-CE1 4.21Å; W166-F179 HydrophobicContact CZ2-CE2 4.35Å; W166-F179 AromaticContact CZ2-CZ 3.65Å; W166-F179 HydrophobicContact CZ2-CZ 3.65Å; W166-F179 AromaticContact NE1-CE2 3.43Å; W166-F179 AromaticContact NE1-CZ 3.64Å; W166-Q182 VanDerWaalsContact CD1-OE1 3.28Å
167S89.2Confident88Confident51 Ų5159.4 Ų59.436%0.35732%0.323SS..THydrogen-bonded Turntrans-60.8-23.4-178.366.60000114.1G155 I156G155-S167 VanDerWaalsContact CA-OG 3.27Å; G155-S167 WeakPolarHBondContact CA-OG 3.27Å; I156-S167 PolarHBondContact N-OG 3.04Å; I156-S167 PolarHBondContact O-N 2.73Å
168C89.6Confident88Confident49 Ų4959.7 Ų59.733%0.33132%0.322SS..THydrogen-bonded Turntrans-76.2-27.4-179.953.60000114.7H153 P154 W166 C185H153-C168 PolarHBondContact ND1-SG 3.37Å; H153-C168 VanDerWaalsContact ND1-SG 3.43Å; P154-C168 HydrophobicContact CG-CB 3.91Å; W166-C168 PolarHBondContact O-N 2.86Å; W166-C168 VanDerWaalsContact O-N 3.11Å; C168-C185 PolarHBondContact SG-SG 3.14Å
169C87.5Confident88.2Confident29 Ų2958.3 Ų58.320%0.19631%0.313CS..THydrogen-bonded Turntrans-129.5-12.6-176.268.90000114.5W166 K171 C185W166-C169 PolarHBondContact O-N 2.8Å; C169-K171 HydrophobicContact CB-CG 4.36Å; C169-K171 PolarHBondContact O-N 2.96Å; C169-C185 HydrophobicContact CB-CB 3.72Å
170K82Confident88.1Confident93 Ų9358.7 Ų58.740%0.40432%0.319SS..  trans51.428.1176.8-56.2-175.2-176.9178.70115.1Y165 W166 G172Y165-K170 HydrophobicContact CD2-CB 4.41Å; Y165-K170 HydrophobicContact CD2-CG 4.39Å; Y165-K170 HydrophobicContact CE2-CG 4.38Å; W166-K170 WeakPolarHBondContact O-CA 3.36Å; W166-K170 PolarHBondContact O-N 3.1Å; K170-G172 PolarHBondContact O-N 3.21Å
171K86.2Confident88.4Confident106 Ų10662 Ų6246%0.46133%0.332SS..EExtended strand (participates in β ladder)trans-78.2101.5172.8-64.3-176.6-179.2-179.10109.3V73 Y165 C169 Q182V73-K171 HydrophobicContact CG1-CB 4.26Å; V73-K171 HydrophobicContact CG1-CG 4.07Å; Y165-K171 WeakPolarHBondContact CB-O 3.36Å; C169-K171 HydrophobicContact CB-CG 4.36Å; C169-K171 PolarHBondContact O-N 2.96Å; K171-Q182 PolarHBondContact O-NE2 3.04Å; K171-Q182 PolarHBondContact O-OE1 3.05Å
172G86.7Confident88.5Confident7 Ų755.8 Ų55.87%0.07230%0.303CS..EExtended strand (participates in β ladder)trans-81.6145.7-176.200000114.7I74 K164 K170I74-G172 PolarHBondContact O-N 2.73Å; K164-G172 CarbonylContact O-C 3.55Å; K164-G172 WeakPolarHBondContact O-CA 3.42Å; K170-G172 PolarHBondContact O-N 3.21Å
173T88.8Confident88.6Confident21 Ų2157.9 Ų57.913%0.12931%0.306CS..BIsolated β-bridgetrans-140.4149.4165.9170.10000109.8L163 K164 D175 N178 F179L163-T173 CarbonylContact C-O 3.58Å; K164-T173 HydrophobicContact CB-CG2 4.21Å; K164-T173 WeakPolarHBondContact CB-O 3.39Å; K164-T173 PolarHBondContact N-O 3.16Å; K164-T173 PolarHBondContact O-N 3.23Å; T173-D175 VanDerWaalsContact CG2-O 3.29Å; T173-D175 WeakPolarHBondContact CG2-O 3.38Å; T173-D175 PolarHBondContact OG1-N 3.27Å; T173-D175 PolarHBondContact OG1-O 3.23Å; T173-N178 HydrophobicContact CG2-CB 4.28Å; T173-F179 HydrophobicContact CG2-CB 3.6Å
174T89.3Confident88.8Confident82 Ų8257.1 Ų57.150%0.50330%0.304SS..SBendtrans-85.7-21.9171.854.50000112L163 K164L163-T174 HydrophobicContact CD1-CG2 4.28Å; K164-T174 PolarHBondContact NZ-O 3.26Å
175D90.6Very high88.9Confident77 Ų7757.9 Ų57.941%0.41231%0.314SS..  trans-91.1135.4178.5179.559.6000112.6T173 G177 N178 F179T173-D175 VanDerWaalsContact CG2-O 3.29Å; T173-D175 WeakPolarHBondContact CG2-O 3.38Å; T173-D175 PolarHBondContact OG1-N 3.27Å; T173-D175 PolarHBondContact OG1-O 3.23Å; D175-G177 VanDerWaalsContact OD2-CA 3.26Å; D175-G177 WeakPolarHBondContact OD2-CA 3.23Å; D175-G177 PolarHBondContact OD2-N 2.89Å; D175-N178 HydrophobicContact CB-CB 4.18Å; D175-N178 PolarHBondContact OD2-N 2.84Å; D175-F179 PolarHBondContact O-N 3.29Å
176F87.8Confident89Confident105 Ų10559.2 Ų59.246%0.46132%0.324SS..Hα-helixtrans-73.4-35.2-179.5-171.5-106.9000112.6F159 K164 F179 L180F159-F176 HydrophobicContact CE1-CE2 4.33Å; F159-F176 HydrophobicContact CZ-CE2 4.12Å; K164-F176 HydrophobicContact CD-CB 3.98Å; K164-F176 HydrophobicContact CD-CD2 3.87Å; K164-F176 HydrophobicContact CD-CG 4.42Å; F176-F179 HydrophobicContact CD2-CD1 4.39Å; F176-F179 HydrophobicContact CE2-CD1 4.25Å; F176-F179 WeakPolarHBondContact O-CB 3.42Å; F176-F179 PolarHBondContact O-N 2.8Å; F176-L180 HydrophobicContact CD1-CD1 3.99Å; F176-L180 HydrophobicContact CD1-CG 4.32Å; F176-L180 HydrophobicContact CE1-CD1 3.52Å; F176-L180 HydrophobicContact CE1-CD2 4.34Å; F176-L180 HydrophobicContact CE1-CG 3.96Å; F176-L180 HydrophobicContact CZ-CD1 4.11Å; F176-L180 HydrophobicContact CZ-CD2 4.09Å; F176-L180 HydrophobicContact CZ-CG 4.16Å; F176-L180 PolarHBondContact O-N 3.22Å; F176-L180 VanDerWaalsContact O-N 3.1Å
177G88.9Confident89.2Confident29 Ų2964.1 Ų64.130%0.29935%0.346SS..Hα-helixtrans-63.6-43.317700000111.5D175 F179 L180 K181D175-G177 VanDerWaalsContact OD2-CA 3.26Å; D175-G177 WeakPolarHBondContact OD2-CA 3.23Å; D175-G177 PolarHBondContact OD2-N 2.89Å; G177-F179 VanDerWaalsContact C-N 3.31Å; G177-F179 PolarHBondContact O-N 3.12Å; G177-L180 PolarHBondContact O-N 3.3Å; G177-K181 VanDerWaalsContact O-CG 3.31Å; G177-K181 WeakPolarHBondContact O-CG 3.29Å; G177-K181 PolarHBondContact O-N 3.01Å; G177-K181 VanDerWaalsContact O-N 3.17Å
178N88.9Confident89.3Confident52 Ų5262.9 Ų62.928%0.27834%0.341SS..Hα-helixtrans-64-36.2174.4-72-5.8000111.9T173 D175 K181 Q182T173-N178 HydrophobicContact CG2-CB 4.28Å; D175-N178 HydrophobicContact CB-CB 4.18Å; D175-N178 PolarHBondContact OD2-N 2.84Å; N178-K181 PolarHBondContact O-N 3.45Å; N178-Q182 WeakPolarHBondContact O-CG 3.44Å; N178-Q182 PolarHBondContact O-N 2.6Å
179F90.1Very high89.4Confident5 Ų567.1 Ų67.12%0.02236%0.36CS..Hα-helixtrans-62.1-46.4176.5170.3-102.9000111.8P157 F159 K164 W166 T173 D175 F176 G177 K181 Q182P157-F179 HydrophobicContact CB-CE1 4.15Å; P157-F179 HydrophobicContact CB-CZ 3.61Å; F159-F179 AromaticContact CE1-CD1 3.94Å; F159-F179 HydrophobicContact CE1-CD1 3.94Å; F159-F179 AromaticContact CE1-CE1 3.81Å; F159-F179 HydrophobicContact CE1-CE1 3.81Å; F159-F179 HydrophobicContact CE1-CG 4.39Å; F159-F179 HydrophobicContact CE1-CZ 4.17Å; F159-F179 HydrophobicContact CZ-CD1 4.32Å; F159-F179 AromaticContact CZ-CE1 3.88Å; F159-F179 HydrophobicContact CZ-CE1 3.88Å; F159-F179 HydrophobicContact CZ-CZ 4.36Å; K164-F179 HydrophobicContact CB-CB 3.88Å; K164-F179 HydrophobicContact CB-CD2 3.88Å; K164-F179 HydrophobicContact CB-CG 3.86Å; K164-F179 HydrophobicContact CD-CB 4.22Å; W166-F179 AromaticContact CD1-CE2 3.67Å; W166-F179 HydrophobicContact CD2-CE2 4.12Å; W166-F179 HydrophobicContact CD2-CZ 4.02Å; W166-F179 AromaticContact CE2-CE2 3.74Å; W166-F179 AromaticContact CE2-CZ 3.48Å; W166-F179 VanDerWaalsContact CE2-CZ 3.48Å; W166-F179 HydrophobicContact CG-CE2 4.08Å; W166-F179 HydrophobicContact CG-CZ 4.46Å; W166-F179 HydrophobicContact CH2-CZ 4.31Å; W166-F179 HydrophobicContact CZ2-CE1 4.21Å; W166-F179 HydrophobicContact CZ2-CE2 4.35Å; W166-F179 AromaticContact CZ2-CZ 3.65Å; W166-F179 HydrophobicContact CZ2-CZ 3.65Å; W166-F179 AromaticContact NE1-CE2 3.43Å; W166-F179 AromaticContact NE1-CZ 3.64Å; T173-F179 HydrophobicContact CG2-CB 3.6Å; D175-F179 PolarHBondContact O-N 3.29Å; F176-F179 HydrophobicContact CD2-CD1 4.39Å; F176-F179 HydrophobicContact CE2-CD1 4.25Å; F176-F179 WeakPolarHBondContact O-CB 3.42Å; F176-F179 PolarHBondContact O-N 2.8Å; G177-F179 VanDerWaalsContact C-N 3.31Å; G177-F179 PolarHBondContact O-N 3.12Å; F179-K181 VanDerWaalsContact C-N 3.26Å; F179-K181 PolarHBondContact O-N 2.9Å; F179-Q182 WeakPolarHBondContact O-CB 3.35Å; F179-Q182 WeakPolarHBondContact O-CG 3.45Å; F179-Q182 PolarHBondContact O-N 2.8Å
180L88.9Confident89.6Confident105 Ų10567.3 Ų67.355%0.5536%0.358SS..Hα-helixtrans-66.1-28.4177.9-67.6-179.5000113.1F176 G177 Q182F176-L180 HydrophobicContact CD1-CD1 3.99Å; F176-L180 HydrophobicContact CD1-CG 4.32Å; F176-L180 HydrophobicContact CE1-CD1 3.52Å; F176-L180 HydrophobicContact CE1-CD2 4.34Å; F176-L180 HydrophobicContact CE1-CG 3.96Å; F176-L180 HydrophobicContact CZ-CD1 4.11Å; F176-L180 HydrophobicContact CZ-CD2 4.09Å; F176-L180 HydrophobicContact CZ-CG 4.16Å; F176-L180 PolarHBondContact O-N 3.22Å; F176-L180 VanDerWaalsContact O-N 3.1Å; G177-L180 PolarHBondContact O-N 3.3Å; L180-Q182 VanDerWaalsContact C-N 3.34Å
181K88.1Confident89.9Confident163 Ų16365.5 Ų65.571%0.70935%0.353SS*.THydrogen-bonded Turntrans-83.9-3.5178.2-69.6173.9-177177.60113.9G177 N178 F179 T183G177-K181 VanDerWaalsContact O-CG 3.31Å; G177-K181 WeakPolarHBondContact O-CG 3.29Å; G177-K181 PolarHBondContact O-N 3.01Å; G177-K181 VanDerWaalsContact O-N 3.17Å; N178-K181 PolarHBondContact O-N 3.45Å; F179-K181 VanDerWaalsContact C-N 3.26Å; F179-K181 PolarHBondContact O-N 2.9Å; K181-T183 PolarHBondContact O-N 2.9Å
182Q87.8Confident90Very high33 Ų3362.7 Ų62.715%0.15434%0.341CS..PPolyproline II helixtrans-62.3123.3-179.8-69.3-172.7-3.300110.5W166 K171 N178 F179 L180W166-Q182 VanDerWaalsContact CD1-OE1 3.28Å; K171-Q182 PolarHBondContact O-NE2 3.04Å; K171-Q182 PolarHBondContact O-OE1 3.05Å; N178-Q182 WeakPolarHBondContact O-CG 3.44Å; N178-Q182 PolarHBondContact O-N 2.6Å; F179-Q182 WeakPolarHBondContact O-CB 3.35Å; F179-Q182 WeakPolarHBondContact O-CG 3.45Å; F179-Q182 PolarHBondContact O-N 2.8Å; L180-Q182 VanDerWaalsContact C-N 3.34Å
183T90.9Very high89.5Confident97 Ų9763.8 Ų63.860%0.59535%0.347SS*.PPolyproline II helixtrans-66.6136.8174.2-47.40000110.2L151 H153 K181L151-T183 HydrophobicContact CB-CG2 4.14Å; L151-T183 HydrophobicContact CD1-CG2 3.71Å; H153-T183 PolarHBondContact CE1-O 2.99Å; H153-T183 VanDerWaalsContact CE1-O 3.25Å; H153-T183 PolarHBondContact NE2-O 2.75Å; K181-T183 PolarHBondContact O-N 2.9Å
184G91.7Very high88.2Confident10 Ų1068.6 Ų68.610%0.10337%0.368CS..PPolyproline II helixtrans-49.3144.4175.200000113.9Y152Y152-G184 CarbonylContact O-C 3.55Å; Y152-G184 WeakPolarHBondContact O-CA 3.39Å
185C92.4Very high86.2Confident55 Ų5567.6 Ų67.637%0.37236%0.364SS..SBendtrans-94.4-6.7-179.463.60000113.9Y152 H153 C168 C169Y152-C185 PolarHBondContact O-N 2.77Å; H153-C185 PolarHBondContact ND1-SG 3.24Å; H153-C185 VanDerWaalsContact ND1-SG 3.43Å; C168-C185 PolarHBondContact SG-SG 3.14Å; C169-C185 HydrophobicContact CB-CB 3.72Å
186T92.9Very high84Confident46 Ų4669.9 Ų69.928%0.28238%0.377SS..EExtended strand (participates in β ladder)trans-126138.6-176.1-57.60000109.4L151 Y152 P154L151-T186 WeakPolarHBondContact CA-O 3.49Å; Y152-T186 WeakPolarHBondContact CD1-O 3.33Å; Y152-T186 HydrophobicContact CE1-CG2 4.2Å; Y152-T186 PolarHBondContact N-O 3.11Å; Y152-T186 PolarHBondContact O-N 2.77Å; P154-T186 VanDerWaalsContact CD-OG1 3.25Å; P154-T186 WeakPolarHBondContact CD-OG1 2.94Å; P154-T186 WeakPolarHBondContact CG-OG1 3.4Å
187K94.3Very high81.8Confident132 Ų13272.5 Ų72.557%0.57439%0.388SS*.EExtended strand (participates in β ladder)trans-95.7139.6175.6-71.3159.9162.1-1000109.4E149 C150 L151E149-K187 VanDerWaalsContact CD-CG 3.45Å; E149-K187 HydrophobicContact CG-CB 4.01Å; E149-K187 HydrophobicContact CG-CG 4.11Å; E149-K187 WeakPolarHBondContact OE1-CB 3.22Å; E149-K187 WeakPolarHBondContact OE1-CD 3.49Å; E149-K187 VanDerWaalsContact OE1-CG 3.27Å; E149-K187 WeakPolarHBondContact OE1-CG 3.45Å; E149-K187 IonicContact OE1-NZ 2.94Å; E149-K187 PolarHBondContact OE1-NZ 2.85Å; E149-K187 WeakPolarHBondContact OE2-CE 3.33Å; E149-K187 IonicContact OE2-NZ 2.68Å; E149-K187 PolarHBondContact OE2-NZ 2.84Å; C150-K187 CarbonylContact O-C 3.47Å; C150-K187 WeakPolarHBondContact O-CA 3.24Å; L151-K187 HydrophobicContact CD2-CB 4.41Å; L151-K187 HydrophobicContact CD2-CD 4.44Å; L151-K187 HydrophobicContact CD2-CG 3.37Å
188G92.1Very high79.5Confident24 Ų2479.5 Ų79.525%0.24741%0.413CS..EExtended strand (participates in β ladder)trans-177.7-160.9174.800000111.7C150C150-G188 WeakPolarHBondContact CA-O 3.32Å; C150-G188 VanDerWaalsContact CB-O 3.22Å; C150-G188 WeakPolarHBondContact CB-O 3.29Å; C150-G188 PolarHBondContact N-O 2.81Å; C150-G188 PolarHBondContact O-N 3.44Å
189D92.7Very high77.2Confident139 Ų13980.1 Ų80.174%0.74342%0.416SS*.  trans-86.4148.6-179.1-57.9-45.6000111.9N136N136-D189 PolarHBondContact ND2-O 3.02Å
190H90.9Very high75.2Confident33 Ų3384.9 Ų84.915%0.15345%0.445CS..  trans-68.2141172.6-72.5-77000112C134 C139 Q141 S147 C150 F192C134-H190 PolarHBondContact SG-ND1 3.31Å; C134-H190 VanDerWaalsContact SG-ND1 3.39Å; C139-H190 PolarHBondContact SG-CE1 3.36Å; C139-H190 PolarHBondContact SG-ND1 3.3Å; C139-H190 VanDerWaalsContact SG-ND1 3.36Å; Q141-H190 PolarHBondContact OE1-CE1 3.19Å; S147-H190 PolarHBondContact O-CD2 3.3Å; S147-H190 PolarHBondContact O-NE2 2.99Å; C150-H190 HydrophobicContact CB-CB 4.4Å; H190-F192 HydrophobicContact CB-CD2 3.72Å; H190-F192 HydrophobicContact CB-CE1 4.35Å; H190-F192 HydrophobicContact CB-CE2 3.11Å; H190-F192 HydrophobicContact CB-CZ 3.44Å; H190-F192 VanDerWaalsContact CB-CZ 3.44Å; H190-F192 AromaticContact CG-CE2 3.61Å; H190-F192 AromaticContact CG-CZ 3.56Å; H190-F192 AromaticContact ND1-CZ 3.78Å
191D88.5Confident73.4Confident54 Ų5481.9 Ų81.929%0.28943%0.433SS..  trans-10193.8169.6-177.716.6000111.3C134 K135 S193C134-D191 WeakPolarHBondContact CA-O 3.47Å; K135-D191 HydrophobicContact CB-CB 4.34Å; K135-D191 PolarHBondContact N-O 2.69Å; D191-S193 VanDerWaalsContact OD1-CB 3.27Å; D191-S193 WeakPolarHBondContact OD1-CB 3.43Å; D191-S193 PolarHBondContact OD1-N 2.78Å; D191-S193 PolarHBondContact OD1-OG 2.83Å
192F87.5Confident72.4Confident48 Ų4877.5 Ų77.521%0.21143%0.427CS..  trans-99.411.7171.6-58.9-62.5000113A132 C134 Q141 A146 H190 H194A132-F192 HydrophobicContact CB-CB 4.18Å; A132-F192 HydrophobicContact CB-CD1 4.27Å; C134-F192 HydrophobicContact CB-CD1 4.26Å; C134-F192 HydrophobicContact CB-CE1 3.61Å; C134-F192 HydrophobicContact CB-CZ 4.08Å; Q141-F192 WeakPolarHBondContact O-CE1 3.31Å; A146-F192 HydrophobicContact CB-CE2 3.9Å; A146-F192 HydrophobicContact CB-CZ 3.45Å; A146-F192 VanDerWaalsContact CB-CZ 3.45Å; H190-F192 HydrophobicContact CB-CD2 3.72Å; H190-F192 HydrophobicContact CB-CE1 4.35Å; H190-F192 HydrophobicContact CB-CE2 3.11Å; H190-F192 HydrophobicContact CB-CZ 3.44Å; H190-F192 VanDerWaalsContact CB-CZ 3.44Å; H190-F192 AromaticContact CG-CE2 3.61Å; H190-F192 AromaticContact CG-CZ 3.56Å; H190-F192 AromaticContact ND1-CZ 3.78Å; F192-H194 PolarHBondContact O-N 2.81Å
193S77.1Confident72Confident30 Ų3076.3 Ų76.321%0.2142%0.422CS..  trans-63125.4-170.864.40000111.7K135 D191K135-S193 PolarHBondContact NZ-O 2.89Å; D191-S193 VanDerWaalsContact OD1-CB 3.27Å; D191-S193 WeakPolarHBondContact OD1-CB 3.43Å; D191-S193 PolarHBondContact OD1-N 2.78Å; D191-S193 PolarHBondContact OD1-OG 2.83Å
194H61.7Low71.9Confident122 Ų12277.3 Ų77.357%0.56542%0.415SS*.  trans-78.5-10.3166.4-72.4-76.1000112.1I127 F192 N196I127-H194 HydrophobicContact CD1-CB 4.45Å; F192-H194 PolarHBondContact O-N 2.81Å; H194-N196 PolarHBondContact O-N 2.78Å
195S45.9Very low72Confident60 Ų6081.1 Ų81.142%0.4243%0.427SS..SBendtrans-69.8135.8179.652.70000110.2K197S195-K197 PolarHBondContact O-N 2.84Å
196N44.7Very low72.1Confident126 Ų12680.3 Ų80.367%0.67442%0.419SS*.  trans-66.151160.6-161.610.4000109.6H194 Q198H194-N196 PolarHBondContact O-N 2.78Å; N196-Q198 VanDerWaalsContact C-N 3.25Å; N196-Q198 PolarHBondContact O-N 2.9Å
197K42.6Very low72.3Confident160 Ų16082.1 Ų82.170%0.69642%0.421SS*.  trans-59.6102.8160.6-89.4-177.8176.8-178.70103.3S195 N199S195-K197 PolarHBondContact O-N 2.84Å; K197-N199 VanDerWaalsContact C-N 3.3Å; K197-N199 WeakPolarHBondContact O-CA 3.46Å; K197-N199 PolarHBondContact O-N 3.33Å
198Q39.7Very low72.4Confident175 Ų17580.7 Ų80.782%0.81842%0.415SS*.  trans-11.792.8-179.1-77.8178-29.800109.6N196 V200N196-Q198 VanDerWaalsContact C-N 3.25Å; N196-Q198 PolarHBondContact O-N 2.9Å; Q198-V200 PolarHBondContact O-N 2.8Å
199N40.2Very low72.6Confident65 Ų6582.3 Ų82.335%0.34842%0.416SS..  trans-7381.7-179.6-145.2-18.5000103K197 S201K197-N199 VanDerWaalsContact C-N 3.3Å; K197-N199 WeakPolarHBondContact O-CA 3.46Å; K197-N199 PolarHBondContact O-N 3.33Å; N199-S201 PolarHBondContact O-N 2.81Å
200V48.4Very low72.7Confident106 Ų10678.6 Ų78.664%0.64240%0.398SS*.  trans-66.259.2151.5-165.60000104.7Q198 A202Q198-V200 PolarHBondContact O-N 2.8Å; V200-A202 PolarHBondContact O-N 3.15Å
201S52.1Low72.7Confident42 Ų4279.3 Ų79.329%0.29441%0.414SS..  trans-62.589.5152.152.70000101.9N199 C203 Y243N199-S201 PolarHBondContact O-N 2.81Å; S201-C203 VanDerWaalsContact C-N 3.32Å; S201-C203 PolarHBondContact O-N 3.18Å; S201-Y243 PolarHBondContact O-OH 3.22Å; S201-Y243 VanDerWaalsContact O-OH 3.14Å; S201-Y243 PolarHBondContact OG-OH 3.04Å
202A66.5Low73Confident70 Ų7083.2 Ų83.258%0.57943%0.429SS*.  trans-51104.2-171.400000105.8V200 R204V200-A202 PolarHBondContact O-N 3.15Å; A202-R204 PolarHBondContact O-N 2.76Å
203C79.2Confident73.4Confident8 Ų883.7 Ų83.75%0.05443%0.432CS..  trans-56.8120.6-179-1700000104.7S201 Y205 I218 Y219 F250S201-C203 VanDerWaalsContact C-N 3.32Å; S201-C203 PolarHBondContact O-N 3.18Å; C203-Y205 PolarHBondContact O-N 2.9Å; C203-I218 HydrophobicContact CB-CG2 4.31Å; C203-I218 WeakPolarHBondContact SG-CG2 3.27Å; C203-Y219 PolarHBondContact SG-O 2.91Å; C203-F250 HydrophobicContact CB-CB 3.71Å; C203-F250 HydrophobicContact CB-CD1 3.58Å; C203-F250 HydrophobicContact CB-CD2 3.27Å; C203-F250 HydrophobicContact CB-CE1 3.94Å; C203-F250 HydrophobicContact CB-CE2 3.67Å; C203-F250 HydrophobicContact CB-CG 3.21Å; C203-F250 HydrophobicContact CB-CZ 3.98Å; C203-F250 WeakPolarHBondContact O-CE2 3.25Å; C203-F250 WeakPolarHBondContact O-CZ 3.37Å
204R89.5Confident74.4Confident118 Ų11882.3 Ų82.345%0.44542%0.422SS..  trans-58.8135.6176.6179.1175.8172.5-104.1-12.9106.1A202 D206 Y219A202-R204 PolarHBondContact O-N 2.76Å; R204-D206 IonicContact CZ-OD2 3.56Å; R204-D206 IonicContact NH1-OD2 3.62Å; R204-D206 IonicContact NH2-OD2 2.7Å; R204-D206 PolarHBondContact NH2-OD2 3.18Å; R204-Y219 HydrophobicContact CB-CD2 4.14Å; R204-Y219 HydrophobicContact CG-CD2 4.02Å; R204-Y219 HydrophobicContact CG-CE2 4.41Å; R204-Y219 VanDerWaalsContact NH1-CE2 3.3Å; R204-Y219 VanDerWaalsContact NH1-CZ 3.32Å; R204-Y219 PolarHBondContact NH1-OH 3.37Å; R204-Y219 VanDerWaalsContact O-CD2 3.32Å; R204-Y219 WeakPolarHBondContact O-CD2 3.25Å; R204-Y219 PolarHBondContact O-N 2.77Å
205Y94Very high76.2Confident91 Ų9176.9 Ų76.936%0.35740%0.397SS..EExtended strand (participates in β ladder)trans-127.9149.9162.970.5-84.3000109C203 V216 N217 F250 L252 L289C203-Y205 PolarHBondContact O-N 2.9Å; Y205-V216 HydrophobicContact CD2-CG1 4.28Å; Y205-N217 CarbonylContact C-O 3.51Å; Y205-N217 WeakPolarHBondContact CA-O 3.27Å; Y205-N217 WeakPolarHBondContact CB-O 3.38Å; Y205-F250 AromaticContact CD1-CZ 3.94Å; Y205-F250 HydrophobicContact CD1-CZ 3.94Å; Y205-L252 HydrophobicContact CD1-CD1 4.13Å; Y205-L252 HydrophobicContact CD2-CD1 4.46Å; Y205-L252 HydrophobicContact CD2-CD2 4.25Å; Y205-L252 HydrophobicContact CE1-CD1 3.64Å; Y205-L252 HydrophobicContact CE2-CD1 4.02Å; Y205-L252 HydrophobicContact CE2-CD2 4.45Å; Y205-L252 HydrophobicContact CG-CD2 4.36Å; Y205-L289 HydrophobicContact CE2-CD2 4.2Å
206D94.5Very high78.6Confident37 Ų3774 Ų7420%0.19838%0.377CS..EExtended strand (participates in β ladder)trans-133.9172168.863.932.6000109.7R204 V216 N217 Y219R204-D206 IonicContact CZ-OD2 3.56Å; R204-D206 IonicContact NH1-OD2 3.62Å; R204-D206 IonicContact NH2-OD2 2.7Å; R204-D206 PolarHBondContact NH2-OD2 3.18Å; D206-V216 CarbonylContact O-C 3.29Å; D206-V216 WeakPolarHBondContact O-CA 3.18Å; D206-N217 PolarHBondContact N-O 3.43Å; D206-N217 PolarHBondContact O-N 3.26Å; D206-N217 WeakPolarHBondContact OD1-CB 3.17Å; D206-N217 PolarHBondContact OD1-ND2 2.93Å; D206-Y219 HydrophobicContact CB-CE2 4.48Å; D206-Y219 VanDerWaalsContact OD2-CE2 3.24Å; D206-Y219 WeakPolarHBondContact OD2-CE2 3.24Å; D206-Y219 PolarHBondContact OD2-OH 3.34Å
207W97Very high81.1Confident84 Ų8468.3 Ų68.332%0.31835%0.347SS..EExtended strand (participates in β ladder)trans-144.4152.7177.271.2-78.5000110.6Q209 V214 T215 V216 W286 L289W207-Q209 HydrophobicContact CZ3-CB 4.23Å; W207-Q209 HydrophobicContact CZ3-CG 4.06Å; W207-V214 HydrophobicContact CE3-CG1 3.95Å; W207-T215 CarbonylContact C-O 3.45Å; W207-T215 WeakPolarHBondContact CA-O 3.43Å; W207-T215 WeakPolarHBondContact CB-O 3.45Å; W207-V216 HydrophobicContact CB-CG2 4.27Å; W207-W286 HydrophobicContact CZ3-CB 4.48Å; W207-L289 HydrophobicContact CB-CD1 4.32Å; W207-L289 HydrophobicContact CB-CD2 3.99Å; W207-L289 HydrophobicContact CD2-CB 3.73Å; W207-L289 HydrophobicContact CD2-CD1 4.41Å; W207-L289 HydrophobicContact CE3-CB 4.38Å; W207-L289 HydrophobicContact CG-CB 3.78Å; W207-L289 HydrophobicContact CG-CD1 4.3Å; W207-L289 HydrophobicContact CG-CD2 3.96Å; W207-L289 HydrophobicContact CG-CG 4.24Å; W207-L289 HydrophobicContact CZ2-CB 4.3Å; W207-L289 VanDerWaalsContact CZ2-N 3.33Å
208F95.8Very high83.7Confident103 Ų10360.7 Ų60.745%0.45231%0.314SS..EExtended strand (participates in β ladder)trans-144.1170.8170.363.3-84.9000108.4T215 N217F208-T215 HydrophobicContact CD1-CG2 4.42Å; F208-T215 HydrophobicContact CE1-CG2 3.54Å; F208-T215 HydrophobicContact CE2-CG2 4.35Å; F208-T215 HydrophobicContact CZ-CG2 3.51Å; F208-T215 PolarHBondContact N-O 2.86Å; F208-T215 PolarHBondContact O-N 2.68Å; F208-N217 WeakPolarHBondContact CE1-ND2 3.37Å
209Q96.5Very high86.4Confident58 Ų5856.3 Ų56.327%0.27129%0.29SS..EExtended strand (participates in β ladder)trans-146.2151.8-175.862.1179-43.100111.8W207 E213 V214 W286W207-Q209 HydrophobicContact CZ3-CB 4.23Å; W207-Q209 HydrophobicContact CZ3-CG 4.06Å; Q209-E213 WeakPolarHBondContact CA-O 3.43Å; Q209-E213 WeakPolarHBondContact CB-O 3.38Å; Q209-V214 HydrophobicContact CB-CG2 4.17Å; Q209-W286 PolarHBondContact NE2-O 3.45Å
210T94Very high88.9Confident60 Ų6053.2 Ų53.237%0.36827%0.274SS..  trans-105.6-179.9162.173.30000108.9K212 E213 K280T210-K212 PolarHBondContact O-N 2.92Å; T210-K212 VanDerWaalsContact O-N 3.12Å; T210-K212 PolarHBondContact OG1-N 3.25Å; T210-E213 HydrophobicContact CG2-CG 4.36Å; T210-E213 WeakPolarHBondContact CG2-OE1 3.48Å; T210-E213 PolarHBondContact N-O 2.94Å; T210-E213 WeakPolarHBondContact OG1-CG 3.34Å; T210-E213 PolarHBondContact OG1-N 3Å; T210-E213 PolarHBondContact OG1-OE1 3.17Å; T210-K280 PolarHBondContact O-NZ 3.16Å
211G91.8Very high91.1Very high48 Ų4854.8 Ų54.850%0.49527%0.268SS..SBendtrans-59.5-22.5175.300000113.9P283 G284G211-P283 WeakPolarHBondContact O-CA 3.25Å; G211-G284 PolarHBondContact O-N 3.06Å; G211-G284 VanDerWaalsContact O-N 3.15Å
212K95Very high93Very high136 Ų13652.8 Ų52.859%0.59125%0.254SS*.SBendtrans-117.6-14.5-171.3-61.5-177.4-178.2179.10114.5T210 K280T210-K212 PolarHBondContact O-N 2.92Å; T210-K212 VanDerWaalsContact O-N 3.12Å; T210-K212 PolarHBondContact OG1-N 3.25Å; K212-K280 WeakPolarHBondContact O-CB 3.34Å; K212-K280 PolarHBondContact O-N 3.01Å
213E96.5Very high94.4Very high59 Ų5949.5 Ų49.528%0.27623%0.227SC..EExtended strand (participates in β ladder)trans-145.7162.4-177.476.4-132140.600112.4Q209 T210 L278 K280Q209-E213 WeakPolarHBondContact CA-O 3.43Å; Q209-E213 WeakPolarHBondContact CB-O 3.38Å; T210-E213 HydrophobicContact CG2-CG 4.36Å; T210-E213 WeakPolarHBondContact CG2-OE1 3.48Å; T210-E213 PolarHBondContact N-O 2.94Å; T210-E213 WeakPolarHBondContact OG1-CG 3.34Å; T210-E213 PolarHBondContact OG1-N 3Å; T210-E213 PolarHBondContact OG1-OE1 3.17Å; E213-L278 CarbonylContact C-O 3.45Å; E213-L278 VanDerWaalsContact CA-O 3.26Å; E213-L278 WeakPolarHBondContact CA-O 3.3Å; E213-L278 WeakPolarHBondContact CB-O 3.48Å; E213-K280 WeakPolarHBondContact O-CE 3.38Å
214V97.5Very high95.1Very high0 Ų050.1 Ų50.10%023%0.231CC..EExtended strand (participates in β ladder)trans-119.6132.7170.1-1800000107.3W207 Q209 V216 L278 K280 W286 L289W207-V214 HydrophobicContact CE3-CG1 3.95Å; Q209-V214 HydrophobicContact CB-CG2 4.17Å; V214-V216 HydrophobicContact CG1-CG2 4.42Å; V214-L278 HydrophobicContact CB-CB 4.33Å; V214-L278 PolarHBondContact N-O 3.25Å; V214-L278 PolarHBondContact O-N 3.43Å; V214-K280 HydrophobicContact CG2-CD 4.37Å; V214-K280 HydrophobicContact CG2-CG 4.17Å; V214-W286 HydrophobicContact CG2-CD2 3.76Å; V214-W286 HydrophobicContact CG2-CE3 3.79Å; V214-W286 HydrophobicContact CG2-CG 4.34Å; V214-W286 HydrophobicContact CG2-CH2 4.21Å; V214-W286 HydrophobicContact CG2-CZ2 4.19Å; V214-W286 HydrophobicContact CG2-CZ3 4.02Å; V214-L289 HydrophobicContact CG1-CD1 3.74Å
215T98.1Very high95.4Very high8 Ų847.1 Ų47.15%0.04923%0.225CC..EExtended strand (participates in β ladder)trans-112.3125.4174.5-54.80000109W207 F208 I276 Q277W207-T215 CarbonylContact C-O 3.45Å; W207-T215 WeakPolarHBondContact CA-O 3.43Å; W207-T215 WeakPolarHBondContact CB-O 3.45Å; F208-T215 HydrophobicContact CD1-CG2 4.42Å; F208-T215 HydrophobicContact CE1-CG2 3.54Å; F208-T215 HydrophobicContact CE2-CG2 4.35Å; F208-T215 HydrophobicContact CZ-CG2 3.51Å; F208-T215 PolarHBondContact N-O 2.86Å; F208-T215 PolarHBondContact O-N 2.68Å; T215-I276 CarbonylContact C-O 3.58Å; T215-I276 VanDerWaalsContact CA-O 3.25Å; T215-I276 WeakPolarHBondContact CA-O 3.46Å; T215-Q277 HydrophobicContact CG2-CG 4.47Å
216V97.9Very high95.3Very high0 Ų052 Ų520%025%0.251CS..EExtended strand (participates in β ladder)trans-108.8118.7174.3-175.50000108.2Y205 D206 W207 V214 L237 L252 I276 L278 L289Y205-V216 HydrophobicContact CD2-CG1 4.28Å; D206-V216 CarbonylContact O-C 3.29Å; D206-V216 WeakPolarHBondContact O-CA 3.18Å; W207-V216 HydrophobicContact CB-CG2 4.27Å; V214-V216 HydrophobicContact CG1-CG2 4.42Å; V216-L237 HydrophobicContact CG2-CD2 4.18Å; V216-L252 HydrophobicContact CG1-CD2 4.28Å; V216-I276 HydrophobicContact CB-CB 4.23Å; V216-I276 PolarHBondContact N-O 3.07Å; V216-I276 PolarHBondContact O-N 2.75Å; V216-L278 HydrophobicContact CG2-CD1 4.4Å; V216-L289 HydrophobicContact CG1-CD2 4.41Å; V216-L289 HydrophobicContact CG2-CD1 3.74Å; V216-L289 HydrophobicContact CG2-CD2 3.97Å
217N97.6Very high95.2Very high7 Ų757 Ų574%0.03727%0.271CS..EExtended strand (participates in β ladder)trans-98.3128.2174.9-55.6-50.5000109.9Y205 D206 F208 Y219 I274Y205-N217 CarbonylContact C-O 3.51Å; Y205-N217 WeakPolarHBondContact CA-O 3.27Å; Y205-N217 WeakPolarHBondContact CB-O 3.38Å; D206-N217 PolarHBondContact N-O 3.43Å; D206-N217 PolarHBondContact O-N 3.26Å; D206-N217 WeakPolarHBondContact OD1-CB 3.17Å; D206-N217 PolarHBondContact OD1-ND2 2.93Å; F208-N217 WeakPolarHBondContact CE1-ND2 3.37Å; N217-Y219 HydrophobicContact CB-CE2 4.17Å; N217-I274 CarbonylContact C-O 3.56Å; N217-I274 VanDerWaalsContact CA-O 3.29Å; N217-I274 WeakPolarHBondContact CA-O 3.21Å
218I96.5Very high95.1Very high0 Ų053.7 Ų53.70%026%0.261CS..EExtended strand (participates in β ladder)trans-109.1119.5170.7-60.3173.7000107.8C203 A220 A239 I241 F250 L252 K273 I274 I276C203-I218 HydrophobicContact CB-CG2 4.31Å; C203-I218 WeakPolarHBondContact SG-CG2 3.27Å; I218-A220 VanDerWaalsContact C-N 3.31Å; I218-A220 HydrophobicContact CG2-CB 4.36Å; I218-A220 PolarHBondContact O-N 3.43Å; I218-A239 HydrophobicContact CD1-CB 3.86Å; I218-I241 HydrophobicContact CD1-CG1 4.25Å; I218-F250 HydrophobicContact CD1-CE1 4.24Å; I218-F250 HydrophobicContact CG1-CE1 4.42Å; I218-F250 HydrophobicContact CG2-CD1 3.82Å; I218-F250 HydrophobicContact CG2-CE1 3.82Å; I218-L252 HydrophobicContact CD1-CD2 4.26Å; I218-K273 CarbonylContact O-C 3.44Å; I218-K273 WeakPolarHBondContact O-CA 3.44Å; I218-K273 WeakPolarHBondContact O-CB 3.44Å; I218-I274 HydrophobicContact CB-CB 4.34Å; I218-I274 PolarHBondContact N-O 3.06Å; I218-I274 PolarHBondContact O-N 2.93Å; I218-I276 HydrophobicContact CD1-CD1 3.82Å
219Y95.3Very high95.1Very high82 Ų8252.5 Ų52.532%0.32226%0.259SS..  trans-85.171.2-174.5-67.2-90.2000112.1C203 R204 D206 N217 K273C203-Y219 PolarHBondContact SG-O 2.91Å; R204-Y219 HydrophobicContact CB-CD2 4.14Å; R204-Y219 HydrophobicContact CG-CD2 4.02Å; R204-Y219 HydrophobicContact CG-CE2 4.41Å; R204-Y219 VanDerWaalsContact NH1-CE2 3.3Å; R204-Y219 VanDerWaalsContact NH1-CZ 3.32Å; R204-Y219 PolarHBondContact NH1-OH 3.37Å; R204-Y219 VanDerWaalsContact O-CD2 3.32Å; R204-Y219 WeakPolarHBondContact O-CD2 3.25Å; R204-Y219 PolarHBondContact O-N 2.77Å; D206-Y219 HydrophobicContact CB-CE2 4.48Å; D206-Y219 VanDerWaalsContact OD2-CE2 3.24Å; D206-Y219 WeakPolarHBondContact OD2-CE2 3.24Å; D206-Y219 PolarHBondContact OD2-OH 3.34Å; N217-Y219 HydrophobicContact CB-CE2 4.17Å; Y219-K273 HydrophobicContact CD1-CB 4.29Å; Y219-K273 HydrophobicContact CE1-CD 4.43Å
220A93.5Very high95.2Very high0 Ų049.8 Ų49.80%025%0.246CC..  trans-109.1118.1177.900000110.5I218 I241 Y243 S272 K273 I274I218-A220 VanDerWaalsContact C-N 3.31Å; I218-A220 HydrophobicContact CG2-CB 4.36Å; I218-A220 PolarHBondContact O-N 3.43Å; A220-I241 HydrophobicContact CB-CG2 3.87Å; A220-Y243 HydrophobicContact CB-CD1 4.37Å; A220-Y243 HydrophobicContact CB-CD2 4.27Å; A220-Y243 HydrophobicContact CB-CG 3.9Å; A220-S272 CarbonylContact O-C 3.58Å; A220-K273 PolarHBondContact O-N 2.76Å; A220-I274 HydrophobicContact CB-CD1 4.46Å
221R93.7Very high95.3Very high140 Ų14047.3 Ų47.353%0.52823%0.231SC..SBendtrans-83.2142.4174.4-178.5-177.9174.9-174-2.1110.5L110 T223 Y243 D244 A271L110-R221 HydrophobicContact CD2-CG 4.39Å; R221-T223 PolarHBondContact O-N 2.63Å; R221-Y243 WeakPolarHBondContact O-CB 3.24Å; R221-D244 PolarHBondContact O-N 2.86Å; R221-A271 WeakPolarHBondContact CA-O 3.14Å
222A94Very high95.6Very high0 Ų045 Ų450%021%0.208CC..SBendtrans54.150.8174.900000113L110 V224 Y245 A271L110-A222 HydrophobicContact CD2-CB 3.79Å; A222-V224 PolarHBondContact O-N 2.83Å; A222-Y245 HydrophobicContact CB-CD1 3.74Å; A222-Y245 HydrophobicContact CB-CD2 4.13Å; A222-Y245 HydrophobicContact CB-CE1 3.58Å; A222-Y245 HydrophobicContact CB-CE2 4.03Å; A222-Y245 HydrophobicContact CB-CG 4.02Å; A222-Y245 PolarHBondContact O-N 3.44Å; A222-A271 PolarHBondContact N-O 2.88Å
223T95Very high95.5Very high0 Ų039 Ų390%018%0.182CC..  trans-59.2134.7176.4-56.70000111.3W111 R221 S228 I241 T242 L269 I274W111-T223 PolarHBondContact NE1-O 2.96Å; W111-T223 VanDerWaalsContact NE1-O 3.09Å; R221-T223 PolarHBondContact O-N 2.63Å; T223-S228 WeakPolarHBondContact CG2-OG 3.04Å; T223-I241 HydrophobicContact CG2-CG2 4.09Å; T223-T242 WeakPolarHBondContact CA-O 3.43Å; T223-L269 HydrophobicContact CG2-CD2 3.7Å; T223-I274 HydrophobicContact CG2-CD1 3.83Å
224V94.5Very high95.4Very high22 Ų2237.5 Ų37.513%0.13318%0.178CC..  trans-88.7104.2172.3-175.70000108W111 A222 E226 K227 S228 T242W111-V224 HydrophobicContact CH2-CG2 3.97Å; W111-V224 HydrophobicContact CZ2-CG2 3.79Å; A222-V224 PolarHBondContact O-N 2.83Å; V224-E226 VanDerWaalsContact C-N 3.34Å; V224-E226 PolarHBondContact O-N 2.83Å; V224-K227 HydrophobicContact CB-CB 4.21Å; V224-K227 HydrophobicContact CG1-CB 3.88Å; V224-K227 HydrophobicContact CG1-CD 4.06Å; V224-K227 HydrophobicContact CG1-CG 3.84Å; V224-K227 CarbonylContact O-C 3.5Å; V224-K227 PolarHBondContact O-N 2.8Å; V224-S228 WeakPolarHBondContact O-CB 3.21Å; V224-S228 PolarHBondContact O-N 2.76Å; V224-S228 PolarHBondContact O-OG 2.83Å; V224-T242 HydrophobicContact CB-CG2 4.1Å; V224-T242 HydrophobicContact CG2-CG2 3.99Å; V224-T242 PolarHBondContact N-O 2.97Å
225V94Very high95.2Very high54 Ų5437.7 Ų37.733%0.32718%0.18SC..G310 helixtrans-58.6-45.3-172.4-174.60000111.7V103 L107 K227 S228 L269V103-V225 HydrophobicContact CG2-CG1 4.05Å; V103-V225 HydrophobicContact CG2-CG2 3.73Å; L107-V225 HydrophobicContact CD2-CG2 4.36Å; V225-K227 VanDerWaalsContact C-N 3.26Å; V225-K227 PolarHBondContact O-N 3.26Å; V225-S228 PolarHBondContact O-N 2.85Å; V225-L269 HydrophobicContact CG2-CD2 4.03Å
226E93.2Very high95Very high195 Ų19539.7 Ų39.791%0.91119%0.188SC*.G310 helixtrans-70.4-20.1-176.3-61.2174.6-172.600113.9V224V224-E226 VanDerWaalsContact C-N 3.34Å; V224-E226 PolarHBondContact O-N 2.83Å
227K92.9Very high95Very high141 Ų14139.7 Ų39.761%0.61319%0.188SC*.G310 helixtrans-107.815.6178.5-61.9-174.9-179.6178.10112.2V224 V225 T242V224-K227 HydrophobicContact CB-CB 4.21Å; V224-K227 HydrophobicContact CG1-CB 3.88Å; V224-K227 HydrophobicContact CG1-CD 4.06Å; V224-K227 HydrophobicContact CG1-CG 3.84Å; V224-K227 CarbonylContact O-C 3.5Å; V224-K227 PolarHBondContact O-N 2.8Å; V225-K227 VanDerWaalsContact C-N 3.26Å; V225-K227 PolarHBondContact O-N 3.26Å; K227-T242 HydrophobicContact CB-CG2 4.11Å; K227-T242 HydrophobicContact CD-CG2 4.25Å; K227-T242 WeakPolarHBondContact O-CB 3.38Å; K227-T242 PolarHBondContact O-OG1 2.95Å
228S94.9Very high94.9Very high14 Ų1441.7 Ų41.710%0.09820%0.197CC..  trans-123.4137179.3-57.80000110.3T223 V224 V225 E240 T242T223-S228 WeakPolarHBondContact CG2-OG 3.04Å; V224-S228 WeakPolarHBondContact O-CB 3.21Å; V224-S228 PolarHBondContact O-N 2.76Å; V224-S228 PolarHBondContact O-OG 2.83Å; V225-S228 PolarHBondContact O-N 2.85Å; S228-E240 CarbonylContact C-O 3.55Å; S228-E240 WeakPolarHBondContact CA-O 3.48Å; S228-T242 PolarHBondContact OG-N 3.27Å; S228-T242 VanDerWaalsContact OG-N 3.11Å; S228-T242 PolarHBondContact OG-O 3.37Å
229L95.9Very high94.9Very high78 Ų7841.7 Ų41.741%0.40820%0.197SC..EExtended strand (participates in β ladder)trans-130134-179.6176.865.6000109.6A98 A239 E240A98-L229 HydrophobicContact CB-CD1 4.02Å; L229-A239 CarbonylContact O-C 3.55Å; L229-A239 WeakPolarHBondContact O-CA 3.38Å; L229-E240 HydrophobicContact CB-CB 4.45Å; L229-E240 PolarHBondContact N-O 2.76Å; L229-E240 PolarHBondContact O-N 3.2Å
230I97.4Very high94.9Very high1 Ų140.4 Ų40.41%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-126.6118.4171.1-56.1168.7000106.7A98 V99 M101 L237 A239 I241 A267 I274 I276A98-I230 WeakPolarHBondContact CA-O 3.44Å; V99-I230 HydrophobicContact CG2-CB 3.76Å; V99-I230 HydrophobicContact CG2-CG2 3.54Å; V99-I230 PolarHBondContact N-O 3.32Å; M101-I230 HydrophobicContact CE-CD1 4.24Å; M101-I230 HydrophobicContact CG-CD1 4.3Å; M101-I230 HydrophobicContact SD-CD1 4.29Å; M101-I230 HydrophobicContact SD-CG1 4.29Å; I230-L237 HydrophobicContact CG2-CD1 4.09Å; I230-A239 HydrophobicContact CG1-CB 4.22Å; I230-I241 HydrophobicContact CD1-CD1 4.26Å; I230-I241 HydrophobicContact CG1-CD1 3.97Å; I230-A267 HydrophobicContact CD1-CB 3.59Å; I230-I274 HydrophobicContact CD1-CG2 3.74Å; I230-I276 HydrophobicContact CD1-CD1 4.23Å; I230-I276 HydrophobicContact CD1-CG1 4.12Å; I230-I276 HydrophobicContact CG2-CD1 3.83Å; I230-I276 HydrophobicContact CG2-CG1 4.25Å; I230-I276 HydrophobicContact CG2-CG2 4.27Å
231A97.2Very high95Very high8 Ų840.4 Ų40.47%0.06619%0.194CC..EExtended strand (participates in β ladder)trans-132.4140.8-175.700000111.2L96 K97 K238L96-A231 HydrophobicContact CB-CB 3.93Å; K97-A231 CarbonylContact O-C 3.51Å; K97-A231 VanDerWaalsContact O-CA 3.23Å; K97-A231 WeakPolarHBondContact O-CA 3.39Å; A231-K238 PolarHBondContact N-O 2.96Å; A231-K238 PolarHBondContact O-N 3.32Å; A231-K238 VanDerWaalsContact O-O 3.05Å
232V96.7Very high95Very high0 Ų034.6 Ų34.60%017%0.173CC..EExtended strand (participates in β ladder)trans-139.2144-172177.10000109.3K97 V99 H236 L237 V260 V262 L278K97-V232 PolarHBondContact N-O 2.92Å; K97-V232 PolarHBondContact O-N 2.79Å; V99-V232 HydrophobicContact CG1-CB 3.98Å; V99-V232 HydrophobicContact CG1-CG2 3.78Å; V232-H236 VanDerWaalsContact CA-O 3.31Å; V232-H236 WeakPolarHBondContact CA-O 3.25Å; V232-L237 HydrophobicContact CG2-CD1 3.51Å; V232-V260 HydrophobicContact CG1-CG2 3.61Å; V232-V262 HydrophobicContact CG1-CG2 4.49Å; V232-L278 HydrophobicContact CG1-CD2 4.22Å; V232-L278 HydrophobicContact CG2-CD2 3.87Å
233N94.2Very high95Very high9 Ų935.4 Ų35.45%0.04818%0.177CC..EExtended strand (participates in β ladder)trans-119.1-171.8160.770.920.2000109.1T92 E94 L96 V235 H236 V260 V262T92-N233 VanDerWaalsContact CG2-ND2 3.25Å; T92-N233 WeakPolarHBondContact CG2-ND2 3.4Å; E94-N233 HydrophobicContact CB-CB 4.23Å; E94-N233 HydrophobicContact CG-CB 4.14Å; E94-N233 PolarHBondContact O-ND2 3.46Å; L96-N233 HydrophobicContact CD2-CB 4.22Å; N233-V235 PolarHBondContact O-N 3.46Å; N233-V235 PolarHBondContact OD1-N 3.04Å; N233-H236 PolarHBondContact N-O 2.7Å; N233-H236 WeakPolarHBondContact OD1-CA 3.33Å; N233-H236 WeakPolarHBondContact OD1-CB 3.44Å; N233-H236 PolarHBondContact OD1-N 2.85Å; N233-V260 VanDerWaalsContact O-CG2 3.26Å; N233-V260 WeakPolarHBondContact O-CG2 3.28Å; N233-V262 VanDerWaalsContact C-CG2 3.48Å
234S93.1Very high94.8Very high28 Ų2837.1 Ų37.120%0.19619%0.186CC..THydrogen-bonded Turntrans-53.2-26.5-178.947.30000115.3E94 E259 V260E94-S234 WeakPolarHBondContact OE2-CB 3.21Å; E94-S234 PolarHBondContact OE2-N 3.34Å; E94-S234 PolarHBondContact OE2-OG 3.07Å; S234-E259 CarbonylContact O-C 3.5Å; S234-E259 WeakPolarHBondContact O-CA 3.44Å; S234-V260 PolarHBondContact O-N 2.83Å
235V93.4Very high94.7Very high5 Ų538.2 Ų38.23%0.0319%0.188CC..THydrogen-bonded Turntrans-142.618-175.3-60.90000114.7T92 N233 L256 E259T92-V235 HydrophobicContact CG2-CG2 3.69Å; T92-V235 WeakPolarHBondContact OG1-CG2 3.37Å; N233-V235 PolarHBondContact O-N 3.46Å; N233-V235 PolarHBondContact OD1-N 3.04Å; V235-L256 WeakPolarHBondContact O-CB 3.42Å; V235-L256 PolarHBondContact O-N 2.74Å; V235-E259 HydrophobicContact CG1-CG 3.66Å
236H95.1Very high94.5Very high50 Ų5037.1 Ų37.123%0.23119%0.187CC..EExtended strand (participates in β ladder)trans-145.7135.3-173.5-147.788.6000110.9L96 V232 N233 D253 P255L96-H236 HydrophobicContact CD2-CB 4.28Å; V232-H236 VanDerWaalsContact CA-O 3.31Å; V232-H236 WeakPolarHBondContact CA-O 3.25Å; N233-H236 PolarHBondContact N-O 2.7Å; N233-H236 WeakPolarHBondContact OD1-CA 3.33Å; N233-H236 WeakPolarHBondContact OD1-CB 3.44Å; N233-H236 PolarHBondContact OD1-N 2.85Å; H236-D253 IonicContact CD2-OD1 3.64Å; H236-D253 PolarHBondContact CD2-OD1 3.38Å; H236-D253 IonicContact CE1-OD1 3.37Å; H236-D253 IonicContact NE2-OD1 3.75Å; H236-D253 PolarHBondContact NE2-OD1 3.12Å; H236-P255 WeakPolarHBondContact ND1-CA 3.26Å
237L96.5Very high94.2Very high0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-118.9125.4176.6166.965.1000109V216 I230 V232 L252 I254 L256 I276 L278V216-L237 HydrophobicContact CG2-CD2 4.18Å; I230-L237 HydrophobicContact CG2-CD1 4.09Å; V232-L237 HydrophobicContact CG2-CD1 3.51Å; L237-L252 HydrophobicContact CD2-CD2 4.24Å; L237-I254 HydrophobicContact CB-CG1 4.14Å; L237-I254 HydrophobicContact CD2-CD1 4.32Å; L237-I254 HydrophobicContact CD2-CG1 4.43Å; L237-I254 PolarHBondContact N-O 3.24Å; L237-I254 PolarHBondContact O-N 3.11Å; L237-L256 HydrophobicContact CB-CD1 4.23Å; L237-L256 HydrophobicContact CB-CD2 3.89Å; L237-L256 HydrophobicContact CB-CG 4.12Å; L237-I276 HydrophobicContact CD1-CD1 4.21Å; L237-I276 HydrophobicContact CD1-CG2 4.39Å; L237-I276 HydrophobicContact CD2-CD1 4.34Å; L237-L278 HydrophobicContact CD2-CD1 4.41Å
238K96.2Very high94Very high48 Ų4829 Ų2921%0.20915%0.151CC..EExtended strand (participates in β ladder)trans-120.1128.6169.3-167.6175.1-167.1-160.50110.4L96 A231 E240 E251 L252 D253L96-K238 HydrophobicContact CD1-CB 3.89Å; L96-K238 HydrophobicContact CD1-CD 4.11Å; A231-K238 PolarHBondContact N-O 2.96Å; A231-K238 PolarHBondContact O-N 3.32Å; A231-K238 VanDerWaalsContact O-O 3.05Å; K238-E240 WeakPolarHBondContact CE-OE1 3.32Å; K238-E240 IonicContact NZ-OE1 2.64Å; K238-E240 PolarHBondContact NZ-OE1 2.81Å; K238-E251 VanDerWaalsContact CE-OE1 3.26Å; K238-E251 WeakPolarHBondContact CE-OE1 3.23Å; K238-E251 IonicContact NZ-OE1 2.96Å; K238-L252 CarbonylContact C-O 3.53Å; K238-L252 VanDerWaalsContact CA-O 3.28Å; K238-L252 WeakPolarHBondContact CA-O 3.37Å; K238-D253 HydrophobicContact CG-CB 4.4Å
239A96.4Very high93.8Very high0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-132.8122.7174.100000110.2I218 L229 I230 I241 E251 L252 I276I218-A239 HydrophobicContact CD1-CB 3.86Å; L229-A239 CarbonylContact O-C 3.55Å; L229-A239 WeakPolarHBondContact O-CA 3.38Å; I230-A239 HydrophobicContact CG1-CB 4.22Å; A239-I241 HydrophobicContact CB-CD1 4.33Å; A239-I241 HydrophobicContact CB-CG1 4.36Å; A239-E251 CarbonylContact O-C 3.55Å; A239-E251 WeakPolarHBondContact O-CA 3.15Å; A239-L252 HydrophobicContact CB-CB 4.33Å; A239-L252 PolarHBondContact N-O 2.9Å; A239-L252 PolarHBondContact O-N 3.4Å; A239-I276 HydrophobicContact CB-CD1 4.32Å
240E95.2Very high93.6Very high56 Ų5629.9 Ų29.926%0.26215%0.15SC..EExtended strand (participates in β ladder)trans-114.2108.7175.8-66.7174.3-172.600107.2S228 L229 K238 F249 E251S228-E240 CarbonylContact C-O 3.55Å; S228-E240 WeakPolarHBondContact CA-O 3.48Å; L229-E240 HydrophobicContact CB-CB 4.45Å; L229-E240 PolarHBondContact N-O 2.76Å; L229-E240 PolarHBondContact O-N 3.2Å; K238-E240 WeakPolarHBondContact CE-OE1 3.32Å; K238-E240 IonicContact NZ-OE1 2.64Å; K238-E240 PolarHBondContact NZ-OE1 2.81Å; E240-F249 HydrophobicContact CB-CE2 4Å; E240-F249 HydrophobicContact CB-CZ 3.91Å; E240-F249 HydrophobicContact CG-CZ 4.16Å; E240-E251 HydrophobicContact CG-CG 4.39Å
241I95.2Very high93.5Very high0 Ų034.4 Ų34.40%017%0.171CC..EExtended strand (participates in β ladder)trans-120119.3-167.7-55.7-54.3000110.2I218 A220 T223 I230 A239 Y243 F249 F250 I274I218-I241 HydrophobicContact CD1-CG1 4.25Å; A220-I241 HydrophobicContact CB-CG2 3.87Å; T223-I241 HydrophobicContact CG2-CG2 4.09Å; I230-I241 HydrophobicContact CD1-CD1 4.26Å; I230-I241 HydrophobicContact CG1-CD1 3.97Å; A239-I241 HydrophobicContact CB-CD1 4.33Å; A239-I241 HydrophobicContact CB-CG1 4.36Å; I241-Y243 HydrophobicContact CG2-CD1 4.49Å; I241-F249 CarbonylContact O-C 3.59Å; I241-F249 WeakPolarHBondContact O-CA 3.43Å; I241-F250 HydrophobicContact CB-CB 4.49Å; I241-F250 PolarHBondContact N-O 3.16Å; I241-F250 PolarHBondContact O-N 2.95Å; I241-I274 HydrophobicContact CB-CD1 4.32Å; I241-I274 HydrophobicContact CD1-CD1 3.46Å; I241-I274 VanDerWaalsContact CD1-CD1 3.46Å; I241-I274 HydrophobicContact CG1-CD1 3.83Å; I241-I274 HydrophobicContact CG2-CD1 3.51Å
242T94Very high93.3Very high17 Ų1734.3 Ų34.310%0.10417%0.17CC..EExtended strand (participates in β ladder)trans-96.5126.5168.7-60.20000109.4T223 V224 K227 S228 K248T223-T242 WeakPolarHBondContact CA-O 3.43Å; V224-T242 HydrophobicContact CB-CG2 4.1Å; V224-T242 HydrophobicContact CG2-CG2 3.99Å; V224-T242 PolarHBondContact N-O 2.97Å; K227-T242 HydrophobicContact CB-CG2 4.11Å; K227-T242 HydrophobicContact CD-CG2 4.25Å; K227-T242 WeakPolarHBondContact O-CB 3.38Å; K227-T242 PolarHBondContact O-OG1 2.95Å; S228-T242 PolarHBondContact OG-N 3.27Å; S228-T242 VanDerWaalsContact OG-N 3.11Å; S228-T242 PolarHBondContact OG-O 3.37Å; T242-K248 CarbonylContact C-O 3.56Å; T242-K248 WeakPolarHBondContact CA-O 3.32Å
243Y93.8Very high93.1Very high17 Ų1738 Ų387%0.06719%0.189CC..EExtended strand (participates in β ladder)trans-144.5-177.7-172.372.9-80.9000112.4S201 A220 R221 I241 G246 E247 K248 F250S201-Y243 PolarHBondContact O-OH 3.22Å; S201-Y243 VanDerWaalsContact O-OH 3.14Å; S201-Y243 PolarHBondContact OG-OH 3.04Å; A220-Y243 HydrophobicContact CB-CD1 4.37Å; A220-Y243 HydrophobicContact CB-CD2 4.27Å; A220-Y243 HydrophobicContact CB-CG 3.9Å; R221-Y243 WeakPolarHBondContact O-CB 3.24Å; I241-Y243 HydrophobicContact CG2-CD1 4.49Å; Y243-G246 PolarHBondContact O-N 3.14Å; Y243-G246 VanDerWaalsContact O-N 3.1Å; Y243-E247 PolarHBondContact O-N 3.48Å; Y243-K248 HydrophobicContact CD1-CB 3.86Å; Y243-K248 HydrophobicContact CD2-CB 4.11Å; Y243-K248 HydrophobicContact CD2-CD 4.41Å; Y243-K248 HydrophobicContact CE1-CB 3.45Å; Y243-K248 VanDerWaalsContact CE1-CB 3.45Å; Y243-K248 HydrophobicContact CE2-CB 3.73Å; Y243-K248 HydrophobicContact CE2-CD 3.58Å; Y243-K248 HydrophobicContact CE2-CG 4.31Å; Y243-K248 HydrophobicContact CG-CB 4.17Å; Y243-K248 PolarHBondContact N-O 2.77Å; Y243-K248 PolarHBondContact O-N 2.91Å; Y243-K248 VanDerWaalsContact O-N 3.11Å; Y243-F250 HydrophobicContact CD1-CB 4.45Å; Y243-F250 HydrophobicContact CE1-CB 3.92Å
244D92Very high93.1Very high36 Ų3638.2 Ų38.219%0.19319%0.19CC..G310 helixtrans57.150.1-175.6-148.514.7000111.1R221 G246 E247 K248R221-D244 PolarHBondContact O-N 2.86Å; D244-G246 PolarHBondContact O-N 2.97Å; D244-G246 VanDerWaalsContact O-N 3.09Å; D244-E247 WeakPolarHBondContact O-CB 3.35Å; D244-E247 WeakPolarHBondContact O-CG 3.33Å; D244-E247 PolarHBondContact O-N 2.79Å; D244-K248 HydrophobicContact CB-CB 4.27Å; D244-K248 HydrophobicContact CB-CD 3.99Å; D244-K248 HydrophobicContact CB-CG 4.17Å; D244-K248 WeakPolarHBondContact OD2-CD 3.45Å; D244-K248 VanDerWaalsContact OD2-CE 3.31Å; D244-K248 WeakPolarHBondContact OD2-CE 3.14Å; D244-K248 IonicContact OD2-NZ 2.71Å; D244-K248 PolarHBondContact OD2-NZ 2.98Å
245Y92.2Very high93.2Very high45 Ų4538.7 Ų38.718%0.17619%0.193CC..G310 helixtrans58.620.8-176.1-50.5-78.8000114.9W111 W114 A222W111-Y245 HydrophobicContact CE3-CD1 4.38Å; W111-Y245 HydrophobicContact CH2-CD1 4.02Å; W111-Y245 HydrophobicContact CZ2-CD1 4.39Å; W111-Y245 HydrophobicContact CZ3-CD1 4.02Å; W114-Y245 HydrophobicContact CB-CD1 4.22Å; W114-Y245 HydrophobicContact CB-CE1 3.59Å; W114-Y245 AromaticContact CD1-CD1 3.48Å; W114-Y245 VanDerWaalsContact CD1-CD1 3.48Å; W114-Y245 AromaticContact CD1-CE1 3.21Å; W114-Y245 AromaticContact CD1-CE2 3.9Å; W114-Y245 AromaticContact CD1-CG 3.94Å; W114-Y245 AromaticContact CD1-CZ 3.41Å; W114-Y245 VanDerWaalsContact CD1-CZ 3.41Å; W114-Y245 AromaticContact CD2-CD1 3.63Å; W114-Y245 HydrophobicContact CD2-CD1 3.63Å; W114-Y245 AromaticContact CD2-CE1 3.93Å; W114-Y245 HydrophobicContact CD2-CE1 3.93Å; W114-Y245 HydrophobicContact CD2-CG 4.34Å; W114-Y245 AromaticContact CE2-CD1 3.66Å; W114-Y245 AromaticContact CE2-CG 3.88Å; W114-Y245 HydrophobicContact CE3-CD1 4.4Å; W114-Y245 AromaticContact CG-CD1 3.52Å; W114-Y245 HydrophobicContact CG-CD1 3.52Å; W114-Y245 AromaticContact CG-CE1 3.27Å; W114-Y245 HydrophobicContact CG-CE1 3.27Å; W114-Y245 HydrophobicContact CG-CG 4.36Å; W114-Y245 AromaticContact CG-CZ 3.93Å; W114-Y245 HydrophobicContact CZ2-CD1 4.43Å; W114-Y245 HydrophobicContact CZ2-CG 4.4Å; W114-Y245 AromaticContact NE1-CD1 3.53Å; W114-Y245 AromaticContact NE1-CD2 3.91Å; W114-Y245 AromaticContact NE1-CE1 3.77Å; W114-Y245 AromaticContact NE1-CG 3.6Å; A222-Y245 HydrophobicContact CB-CD1 3.74Å; A222-Y245 HydrophobicContact CB-CD2 4.13Å; A222-Y245 HydrophobicContact CB-CE1 3.58Å; A222-Y245 HydrophobicContact CB-CE2 4.03Å; A222-Y245 HydrophobicContact CB-CG 4.02Å; A222-Y245 PolarHBondContact O-N 3.44Å
246G88.4Confident93.3Very high31 Ų3138.5 Ų38.532%0.3219%0.192SC..G310 helixtrans104.5-1.9177.900000114.7Y243 D244Y243-G246 PolarHBondContact O-N 3.14Å; Y243-G246 VanDerWaalsContact O-N 3.1Å; D244-G246 PolarHBondContact O-N 2.97Å; D244-G246 VanDerWaalsContact O-N 3.09Å
247E87Confident93.1Very high110 Ų11038.1 Ų38.151%0.51419%0.188SC..THydrogen-bonded Turntrans-79.1-25.5-177.2-63.8-172.9171.100113.4Y243 D244Y243-E247 PolarHBondContact O-N 3.48Å; D244-E247 WeakPolarHBondContact O-CB 3.35Å; D244-E247 WeakPolarHBondContact O-CG 3.33Å; D244-E247 PolarHBondContact O-N 2.79Å
248K89.4Confident92.9Very high56 Ų5638.8 Ų38.824%0.24320%0.195CC..EExtended strand (participates in β ladder)trans-124.3150.8-173.1-66.6176.7179148.60112.4T242 Y243 D244T242-K248 CarbonylContact C-O 3.56Å; T242-K248 WeakPolarHBondContact CA-O 3.32Å; Y243-K248 HydrophobicContact CD1-CB 3.86Å; Y243-K248 HydrophobicContact CD2-CB 4.11Å; Y243-K248 HydrophobicContact CD2-CD 4.41Å; Y243-K248 HydrophobicContact CE1-CB 3.45Å; Y243-K248 VanDerWaalsContact CE1-CB 3.45Å; Y243-K248 HydrophobicContact CE2-CB 3.73Å; Y243-K248 HydrophobicContact CE2-CD 3.58Å; Y243-K248 HydrophobicContact CE2-CG 4.31Å; Y243-K248 HydrophobicContact CG-CB 4.17Å; Y243-K248 PolarHBondContact N-O 2.77Å; Y243-K248 PolarHBondContact O-N 2.91Å; Y243-K248 VanDerWaalsContact O-N 3.11Å; D244-K248 HydrophobicContact CB-CB 4.27Å; D244-K248 HydrophobicContact CB-CD 3.99Å; D244-K248 HydrophobicContact CB-CG 4.17Å; D244-K248 WeakPolarHBondContact OD2-CD 3.45Å; D244-K248 VanDerWaalsContact OD2-CE 3.31Å; D244-K248 WeakPolarHBondContact OD2-CE 3.14Å; D244-K248 IonicContact OD2-NZ 2.71Å; D244-K248 PolarHBondContact OD2-NZ 2.98Å
249F90.3Very high92.8Very high97 Ų9739.9 Ų39.943%0.42520%0.201SC..EExtended strand (participates in β ladder)trans-128.8142.5178.5-178.2-101.4000110.3E240 I241 E251E240-F249 HydrophobicContact CB-CE2 4Å; E240-F249 HydrophobicContact CB-CZ 3.91Å; E240-F249 HydrophobicContact CG-CZ 4.16Å; I241-F249 CarbonylContact O-C 3.59Å; I241-F249 WeakPolarHBondContact O-CA 3.43Å; F249-E251 HydrophobicContact CE1-CB 4.01Å; F249-E251 HydrophobicContact CZ-CB 4.45Å
250F92.7Very high92.7Very high13 Ų1340.2 Ų40.26%0.05720%0.203CC..EExtended strand (participates in β ladder)trans-138.7133.6176.7173.1-107.5000110.5C203 Y205 I218 I241 Y243 L252C203-F250 HydrophobicContact CB-CB 3.71Å; C203-F250 HydrophobicContact CB-CD1 3.58Å; C203-F250 HydrophobicContact CB-CD2 3.27Å; C203-F250 HydrophobicContact CB-CE1 3.94Å; C203-F250 HydrophobicContact CB-CE2 3.67Å; C203-F250 HydrophobicContact CB-CG 3.21Å; C203-F250 HydrophobicContact CB-CZ 3.98Å; C203-F250 WeakPolarHBondContact O-CE2 3.25Å; C203-F250 WeakPolarHBondContact O-CZ 3.37Å; Y205-F250 AromaticContact CD1-CZ 3.94Å; Y205-F250 HydrophobicContact CD1-CZ 3.94Å; I218-F250 HydrophobicContact CD1-CE1 4.24Å; I218-F250 HydrophobicContact CG1-CE1 4.42Å; I218-F250 HydrophobicContact CG2-CD1 3.82Å; I218-F250 HydrophobicContact CG2-CE1 3.82Å; I241-F250 HydrophobicContact CB-CB 4.49Å; I241-F250 PolarHBondContact N-O 3.16Å; I241-F250 PolarHBondContact O-N 2.95Å; Y243-F250 HydrophobicContact CD1-CB 4.45Å; Y243-F250 HydrophobicContact CE1-CB 3.92Å; F250-L252 HydrophobicContact CE1-CB 3.79Å; F250-L252 HydrophobicContact CZ-CB 4.06Å
251E93.8Very high92.7Very high96 Ų9640.9 Ų40.945%0.44921%0.208SC..EExtended strand (participates in β ladder)trans-118130.9175.3-173.1174.1172.600110.1K238 A239 E240 F249K238-E251 VanDerWaalsContact CE-OE1 3.26Å; K238-E251 WeakPolarHBondContact CE-OE1 3.23Å; K238-E251 IonicContact NZ-OE1 2.96Å; A239-E251 CarbonylContact O-C 3.55Å; A239-E251 WeakPolarHBondContact O-CA 3.15Å; E240-E251 HydrophobicContact CG-CG 4.39Å; F249-E251 HydrophobicContact CE1-CB 4.01Å; F249-E251 HydrophobicContact CZ-CB 4.45Å
252L93.8Very high92.7Very high7 Ų741.8 Ų41.84%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-122.3113.7169.4177.267.4000108Y205 V216 I218 L237 K238 A239 F250 I254Y205-L252 HydrophobicContact CD1-CD1 4.13Å; Y205-L252 HydrophobicContact CD2-CD1 4.46Å; Y205-L252 HydrophobicContact CD2-CD2 4.25Å; Y205-L252 HydrophobicContact CE1-CD1 3.64Å; Y205-L252 HydrophobicContact CE2-CD1 4.02Å; Y205-L252 HydrophobicContact CE2-CD2 4.45Å; Y205-L252 HydrophobicContact CG-CD2 4.36Å; V216-L252 HydrophobicContact CG1-CD2 4.28Å; I218-L252 HydrophobicContact CD1-CD2 4.26Å; L237-L252 HydrophobicContact CD2-CD2 4.24Å; K238-L252 CarbonylContact C-O 3.53Å; K238-L252 VanDerWaalsContact CA-O 3.28Å; K238-L252 WeakPolarHBondContact CA-O 3.37Å; A239-L252 HydrophobicContact CB-CB 4.33Å; A239-L252 PolarHBondContact N-O 2.9Å; A239-L252 PolarHBondContact O-N 3.4Å; F250-L252 HydrophobicContact CE1-CB 3.79Å; F250-L252 HydrophobicContact CZ-CB 4.06Å; L252-I254 HydrophobicContact CD1-CD1 4.3Å; L252-I254 HydrophobicContact CD1-CG1 4.39Å; L252-I254 HydrophobicContact CD1-CG2 3.67Å; L252-I254 HydrophobicContact CD2-CD1 4.31Å; L252-I254 HydrophobicContact CG-CD1 4.39Å; L252-I254 HydrophobicContact CG-CG1 4.3Å; L252-I254 HydrophobicContact CG-CG2 4.35Å
253D93.6Very high92.7Very high77 Ų7749.2 Ų49.241%0.41225%0.247SC..EExtended strand (participates in β ladder)trans-127.9102.1178.5-166.9-12.9000108.6H236 K238H236-D253 IonicContact CD2-OD1 3.64Å; H236-D253 PolarHBondContact CD2-OD1 3.38Å; H236-D253 IonicContact CE1-OD1 3.37Å; H236-D253 IonicContact NE2-OD1 3.75Å; H236-D253 PolarHBondContact NE2-OD1 3.12Å; K238-D253 HydrophobicContact CG-CB 4.4Å
254I93.8Very high92.8Very high14 Ų1451 Ų517%0.07227%0.265CS..EExtended strand (participates in β ladder)trans-134.3136-17158.5171.7000113.8L237 L252 L256 L289 V290L237-I254 HydrophobicContact CB-CG1 4.14Å; L237-I254 HydrophobicContact CD2-CD1 4.32Å; L237-I254 HydrophobicContact CD2-CG1 4.43Å; L237-I254 PolarHBondContact N-O 3.24Å; L237-I254 PolarHBondContact O-N 3.11Å; L252-I254 HydrophobicContact CD1-CD1 4.3Å; L252-I254 HydrophobicContact CD1-CG1 4.39Å; L252-I254 HydrophobicContact CD1-CG2 3.67Å; L252-I254 HydrophobicContact CD2-CD1 4.31Å; L252-I254 HydrophobicContact CG-CD1 4.39Å; L252-I254 HydrophobicContact CG-CG1 4.3Å; L252-I254 HydrophobicContact CG-CG2 4.35Å; I254-L256 HydrophobicContact CD1-CD2 4.5Å; I254-L256 PolarHBondContact O-N 3.41Å; I254-L289 HydrophobicContact CD1-CD2 3.5Å; I254-L289 HydrophobicContact CD1-CG 3.78Å; I254-V290 HydrophobicContact CB-CG2 4.19Å; I254-V290 HydrophobicContact CD1-CG2 4.12Å; I254-V290 HydrophobicContact CG2-CG2 4.15Å
255P94Very high93Very high38 Ų3849.3 Ų49.325%0.24726%0.256CS..EExtended strand (participates in β ladder)trans-73.8119.1167.830.3-33.1000109.9R89 H236 V290 Y291R89-P255 VanDerWaalsContact NH2-CB 3.33Å; H236-P255 WeakPolarHBondContact ND1-CA 3.26Å; P255-V290 HydrophobicContact CG-CG1 4.03Å; P255-V290 CarbonylContact O-C 3.56Å; P255-V290 VanDerWaalsContact O-CA 3.31Å; P255-V290 WeakPolarHBondContact O-CA 3.41Å; P255-Y291 PolarHBondContact O-N 3.17Å
256L95.1Very high93.3Very high1 Ų148.4 Ų48.41%0.00526%0.257CS..BIsolated β-bridgetrans-72.6141.1-178.5-63.3172.1000112R89 V235 L237 I254 G258 V260 L278 W286 L289R89-L256 PolarHBondContact NH2-O 3.47Å; V235-L256 WeakPolarHBondContact O-CB 3.42Å; V235-L256 PolarHBondContact O-N 2.74Å; L237-L256 HydrophobicContact CB-CD1 4.23Å; L237-L256 HydrophobicContact CB-CD2 3.89Å; L237-L256 HydrophobicContact CB-CG 4.12Å; I254-L256 HydrophobicContact CD1-CD2 4.5Å; I254-L256 PolarHBondContact O-N 3.41Å; L256-G258 VanDerWaalsContact C-N 3.32Å; L256-G258 PolarHBondContact O-N 3.04Å; L256-V260 HydrophobicContact CD1-CG1 3.9Å; L256-V260 HydrophobicContact CD1-CG2 3.92Å; L256-L278 HydrophobicContact CD1-CD1 3.96Å; L256-L278 HydrophobicContact CD2-CD1 3.88Å; L256-W286 HydrophobicContact CB-CH2 3.95Å; L256-W286 HydrophobicContact CB-CZ3 4.03Å; L256-W286 HydrophobicContact CD2-CH2 4.48Å; L256-W286 HydrophobicContact CD2-CZ3 4.18Å; L256-L289 WeakPolarHBondContact CA-O 2.89Å; L256-L289 HydrophobicContact CD2-CD1 4.11Å
257W92.8Very high93.8Very high41 Ų4147 Ų4716%0.15524%0.242CC..SBendtrans-63.6-34.2-178.6-173.589.7000113.6A86 W286 A287 S288 L289A86-W257 HydrophobicContact CB-CZ2 4.48Å; W257-W286 HydrophobicContact CB-CD2 4.35Å; W257-W286 HydrophobicContact CB-CE3 3.91Å; W257-W286 HydrophobicContact CB-CZ3 4.38Å; W257-W286 HydrophobicContact CD2-CB 4.3Å; W257-W286 HydrophobicContact CD2-CG 4.44Å; W257-W286 HydrophobicContact CE3-CB 3.73Å; W257-W286 AromaticContact CE3-CD1 3.68Å; W257-W286 HydrophobicContact CE3-CD2 4.04Å; W257-W286 AromaticContact CE3-CG 3.55Å; W257-W286 HydrophobicContact CE3-CG 3.55Å; W257-W286 HydrophobicContact CZ3-CB 4.25Å; W257-W286 AromaticContact CZ3-CD1 3.84Å; W257-W286 HydrophobicContact CZ3-CG 4.11Å; W257-A287 HydrophobicContact CZ2-CB 4.11Å; W257-S288 WeakPolarHBondContact CB-O 3.09Å; W257-L289 PolarHBondContact N-O 3.05Å
258G91.6Very high94.3Very high14 Ų1443.3 Ų43.314%0.14423%0.227CC..SBendtrans-130.9173177.700000112.5L256 W286L256-G258 VanDerWaalsContact C-N 3.32Å; L256-G258 PolarHBondContact O-N 3.04Å; G258-W286 VanDerWaalsContact CA-CZ2 3.41Å; G258-W286 WeakPolarHBondContact O-CH2 3.35Å; G258-W286 VanDerWaalsContact O-CZ2 3.28Å; G258-W286 WeakPolarHBondContact O-CZ2 3.19Å
259E93.3Very high94.7Very high72 Ų7240.6 Ų40.634%0.33622%0.215SC..  trans-77.5142179.5-71.9171.7-145.500112.5P90 S234 V235 A281P90-E259 WeakPolarHBondContact CD-OE1 3.48Å; P90-E259 HydrophobicContact CG-CG 4.45Å; P90-E259 WeakPolarHBondContact CG-OE1 3.15Å; S234-E259 CarbonylContact O-C 3.5Å; S234-E259 WeakPolarHBondContact O-CA 3.44Å; V235-E259 HydrophobicContact CG1-CG 3.66Å; E259-A281 HydrophobicContact CB-CB 3.79Å; E259-A281 WeakPolarHBondContact O-CB 3.35Å; E259-A281 PolarHBondContact O-N 3.33Å
260V94.9Very high95Very high6 Ų637.6 Ų37.64%0.03620%0.203CC..EExtended strand (participates in β ladder)trans-120.5146.7178.4-60.10000111.7V232 N233 S234 L256 V262 L278 K279 W286V232-V260 HydrophobicContact CG1-CG2 3.61Å; N233-V260 VanDerWaalsContact O-CG2 3.26Å; N233-V260 WeakPolarHBondContact O-CG2 3.28Å; S234-V260 PolarHBondContact O-N 2.83Å; L256-V260 HydrophobicContact CD1-CG1 3.9Å; L256-V260 HydrophobicContact CD1-CG2 3.92Å; V260-V262 PolarHBondContact O-N 3.37Å; V260-L278 HydrophobicContact CG1-CB 3.99Å; V260-L278 HydrophobicContact CG1-CD1 4.47Å; V260-K279 CarbonylContact C-O 3.5Å; V260-K279 WeakPolarHBondContact CA-O 3.08Å; V260-K279 WeakPolarHBondContact CB-O 3.43Å; V260-W286 HydrophobicContact CG1-CH2 3.74Å; V260-W286 HydrophobicContact CG1-CZ2 3.97Å
261N94.9Very high95.1Very high71 Ų7138.2 Ų38.238%0.3821%0.211SC..EExtended strand (participates in β ladder)trans-82.4107.2167.1-179-27000108.3E263 A264 S265 K279N261-E263 PolarHBondContact O-N 2.83Å; N261-E263 PolarHBondContact OD1-N 2.64Å; N261-E263 VanDerWaalsContact OD1-N 3.12Å; N261-A264 HydrophobicContact CB-CB 4.16Å; N261-A264 PolarHBondContact O-N 2.91Å; N261-A264 PolarHBondContact OD1-N 3.5Å; N261-A264 VanDerWaalsContact OD1-N 3.16Å; N261-S265 PolarHBondContact O-N 2.85Å; N261-S265 PolarHBondContact O-OG 2.73Å; N261-K279 HydrophobicContact CB-CB 4.27Å; N261-K279 HydrophobicContact CB-CG 4.44Å; N261-K279 PolarHBondContact N-O 2.77Å
262V94.4Very high95.2Very high19 Ų1937 Ų3712%0.11521%0.213CC..EExtended strand (participates in β ladder)trans-61.8-42.4-175.8-174.80000111.9K97 V232 N233 V260 A264 S265K97-V262 HydrophobicContact CB-CG1 3.96Å; K97-V262 HydrophobicContact CD-CG1 4.14Å; V232-V262 HydrophobicContact CG1-CG2 4.49Å; N233-V262 VanDerWaalsContact C-CG2 3.48Å; V260-V262 PolarHBondContact O-N 3.37Å; V262-A264 VanDerWaalsContact C-N 3.3Å; V262-A264 PolarHBondContact O-N 2.76Å; V262-S265 PolarHBondContact O-N 3.08Å
263E94.7Very high95.3Very high173 Ų17339 Ų3981%0.80822%0.222SC*.EExtended strand (participates in β ladder)trans-70-28.8-176.7-62-179.8175.600112.6N261 S265N261-E263 PolarHBondContact O-N 2.83Å; N261-E263 PolarHBondContact OD1-N 2.64Å; N261-E263 VanDerWaalsContact OD1-N 3.12Å; E263-S265 VanDerWaalsContact C-N 3.34Å
264A96Very high95.5Very high54 Ų5435.4 Ų35.445%0.44620%0.202SC..EExtended strand (participates in β ladder)trans-90.63.6177.300000113.4N261 V262 K279N261-A264 HydrophobicContact CB-CB 4.16Å; N261-A264 PolarHBondContact O-N 2.91Å; N261-A264 PolarHBondContact OD1-N 3.5Å; N261-A264 VanDerWaalsContact OD1-N 3.16Å; V262-A264 VanDerWaalsContact C-N 3.3Å; V262-A264 PolarHBondContact O-N 2.76Å; A264-K279 HydrophobicContact CB-CB 3.7Å; A264-K279 HydrophobicContact CB-CG 3.89Å
265S97.2Very high95.7Very high1 Ų137 Ų371%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-96.4146.9179-60.90000110.9P100 N261 V262 E263 Q277 L278 K279P100-S265 WeakPolarHBondContact CD-O 3.31Å; N261-S265 PolarHBondContact O-N 2.85Å; N261-S265 PolarHBondContact O-OG 2.73Å; V262-S265 PolarHBondContact O-N 3.08Å; E263-S265 VanDerWaalsContact C-N 3.34Å; S265-Q277 CarbonylContact C-O 3.52Å; S265-Q277 WeakPolarHBondContact CA-O 3.46Å; S265-Q277 WeakPolarHBondContact CB-O 3.26Å; S265-L278 WeakPolarHBondContact OG-CA 3.32Å; S265-K279 PolarHBondContact OG-N 3.4Å; S265-K279 VanDerWaalsContact OG-N 3.14Å
266S97.8Very high95.9Very high26 Ų2635.1 Ų35.118%0.18220%0.197CC..EExtended strand (participates in β ladder)trans-152.8169.3-177.466.10000111.7Q277S266-Q277 PolarHBondContact N-O 3.07Å; S266-Q277 PolarHBondContact O-N 3.09Å
267A98.2Very high96Very high0 Ų038.5 Ų38.50%021%0.213CC..EExtended strand (participates in β ladder)trans-129.8145.6173.300000111.8V99 P100 M101 N102 I230 L269 I274 E275 I276V99-A267 HydrophobicContact CG2-CB 4.22Å; P100-A267 PolarHBondContact O-N 3.12Å; M101-A267 HydrophobicContact CG-CB 4.21Å; N102-A267 PolarHBondContact N-O 3.15Å; I230-A267 HydrophobicContact CD1-CB 3.59Å; A267-L269 HydrophobicContact CB-CD1 4.47Å; A267-I274 HydrophobicContact CB-CG2 4.49Å; A267-E275 CarbonylContact C-O 3.51Å; A267-E275 VanDerWaalsContact CA-O 3.25Å; A267-E275 WeakPolarHBondContact CA-O 3.45Å; A267-I276 HydrophobicContact CB-CG1 4.37Å
268V97.9Very high96.2Very high33 Ų3336.5 Ų36.520%0.221%0.205CC..EExtended strand (participates in β ladder)trans-119.8120.2173.8-175.40000109.6N102 A104 I274 E275N102-V268 HydrophobicContact CB-CG2 4.46Å; N102-V268 CarbonylContact O-C 3.48Å; N102-V268 WeakPolarHBondContact O-CA 3.26Å; A104-V268 HydrophobicContact CB-CG1 4.2Å; V268-I274 WeakPolarHBondContact O-CA 3.48Å; V268-E275 PolarHBondContact N-O 2.76Å; V268-E275 PolarHBondContact O-N 2.8Å
269L97.8Very high96.5Very high0 Ų039.3 Ų39.30%021%0.213CC..EExtended strand (participates in β ladder)trans-96116.5-179.6-72.871.4000109.4M101 N102 A104 L107 T223 V225 A267 I274M101-L269 HydrophobicContact CB-CD1 3.81Å; M101-L269 HydrophobicContact CE-CD1 3.66Å; M101-L269 HydrophobicContact CE-CD2 3.54Å; M101-L269 HydrophobicContact CE-CG 4.16Å; M101-L269 HydrophobicContact CG-CD1 4.05Å; N102-L269 PolarHBondContact O-N 2.86Å; A104-L269 WeakPolarHBondContact CB-O 3.34Å; A104-L269 PolarHBondContact N-O 3.19Å; L107-L269 HydrophobicContact CD2-CB 3.65Å; L107-L269 HydrophobicContact CD2-CD2 4.36Å; T223-L269 HydrophobicContact CG2-CD2 3.7Å; V225-L269 HydrophobicContact CG2-CD2 4.03Å; A267-L269 HydrophobicContact CB-CD1 4.47Å; L269-I274 HydrophobicContact CD1-CG2 4.22Å; L269-I274 HydrophobicContact CG-CG1 4.2Å; L269-I274 HydrophobicContact CG-CG2 4.18Å
270N97.7Very high96.6Very high33 Ų3336.4 Ų36.418%0.17620%0.2CC..  trans-107.4172.3177.8-64.3-84.9000110.8A104 S106 S272 K273A104-N270 WeakPolarHBondContact CB-OD1 3.49Å; S106-N270 WeakPolarHBondContact OG-CA 3.45Å; N270-S272 PolarHBondContact O-N 3.41Å; N270-K273 WeakPolarHBondContact CA-O 3.03Å; N270-K273 HydrophobicContact CB-CG 4.36Å; N270-K273 VanDerWaalsContact CB-O 3.3Å; N270-K273 WeakPolarHBondContact CB-O 3.31Å; N270-K273 PolarHBondContact N-O 2.87Å
271A94.7Very high96.6Very high26 Ų2638.2 Ų38.222%0.21522%0.215CC..SBendtrans-54.6-36179.300000114.4S106 L110 R221 A222S106-A271 PolarHBondContact OG-N 2.92Å; S106-A271 VanDerWaalsContact OG-N 3.12Å; L110-A271 HydrophobicContact CB-CB 4.41Å; L110-A271 HydrophobicContact CD2-CB 4.17Å; R221-A271 WeakPolarHBondContact CA-O 3.14Å; A222-A271 PolarHBondContact N-O 2.88Å
272S94.1Very high96.4Very high71 Ų7139.9 Ų39.950%0.49722%0.224SC..SBendtrans-120.7-6-170.764.40000114.7A220 N270A220-S272 CarbonylContact O-C 3.58Å; N270-S272 PolarHBondContact O-N 3.41Å
273K95.8Very high96.1Very high50 Ų5044 Ų4422%0.21725%0.252CS..  trans-162.7161.7-176.962.8175.4-177.31630112.4I218 Y219 A220 N270 E275I218-K273 CarbonylContact O-C 3.44Å; I218-K273 WeakPolarHBondContact O-CA 3.44Å; I218-K273 WeakPolarHBondContact O-CB 3.44Å; Y219-K273 HydrophobicContact CD1-CB 4.29Å; Y219-K273 HydrophobicContact CE1-CD 4.43Å; A220-K273 PolarHBondContact O-N 2.76Å; N270-K273 WeakPolarHBondContact CA-O 3.03Å; N270-K273 HydrophobicContact CB-CG 4.36Å; N270-K273 VanDerWaalsContact CB-O 3.3Å; N270-K273 WeakPolarHBondContact CB-O 3.31Å; N270-K273 PolarHBondContact N-O 2.87Å; K273-E275 HydrophobicContact CD-CG 4.31Å; K273-E275 WeakPolarHBondContact CE-OE1 3.28Å; K273-E275 IonicContact NZ-OE1 2.6Å; K273-E275 PolarHBondContact NZ-OE1 3.02Å
274I98.1Very high95.8Very high0 Ų037.5 Ų37.50%023%0.23CC..EExtended strand (participates in β ladder)trans-112.9129.4171.2-52.1176.1000107.4N217 I218 A220 T223 I230 I241 A267 V268 L269 I276N217-I274 CarbonylContact C-O 3.56Å; N217-I274 VanDerWaalsContact CA-O 3.29Å; N217-I274 WeakPolarHBondContact CA-O 3.21Å; I218-I274 HydrophobicContact CB-CB 4.34Å; I218-I274 PolarHBondContact N-O 3.06Å; I218-I274 PolarHBondContact O-N 2.93Å; A220-I274 HydrophobicContact CB-CD1 4.46Å; T223-I274 HydrophobicContact CG2-CD1 3.83Å; I230-I274 HydrophobicContact CD1-CG2 3.74Å; I241-I274 HydrophobicContact CB-CD1 4.32Å; I241-I274 HydrophobicContact CD1-CD1 3.46Å; I241-I274 VanDerWaalsContact CD1-CD1 3.46Å; I241-I274 HydrophobicContact CG1-CD1 3.83Å; I241-I274 HydrophobicContact CG2-CD1 3.51Å; A267-I274 HydrophobicContact CB-CG2 4.49Å; V268-I274 WeakPolarHBondContact O-CA 3.48Å; L269-I274 HydrophobicContact CD1-CG2 4.22Å; L269-I274 HydrophobicContact CG-CG1 4.2Å; L269-I274 HydrophobicContact CG-CG2 4.18Å; I274-I276 HydrophobicContact CG2-CG1 4.31Å
275E98.1Very high95.6Very high47 Ų4738 Ų3822%0.2224%0.235CC..EExtended strand (participates in β ladder)trans-108.7109.6176.7-56.2-171.9165.400109.3A267 V268 K273A267-E275 CarbonylContact C-O 3.51Å; A267-E275 VanDerWaalsContact CA-O 3.25Å; A267-E275 WeakPolarHBondContact CA-O 3.45Å; V268-E275 PolarHBondContact N-O 2.76Å; V268-E275 PolarHBondContact O-N 2.8Å; K273-E275 HydrophobicContact CD-CG 4.31Å; K273-E275 WeakPolarHBondContact CE-OE1 3.28Å; K273-E275 IonicContact NZ-OE1 2.6Å; K273-E275 PolarHBondContact NZ-OE1 3.02Å
276I98.4Very high95.3Very high0 Ų038.6 Ų38.60%024%0.237CC..EExtended strand (participates in β ladder)trans-94.4116.5176.8-51.7174.2000107.8T215 V216 I218 I230 L237 A239 A267 I274 L278T215-I276 CarbonylContact C-O 3.58Å; T215-I276 VanDerWaalsContact CA-O 3.25Å; T215-I276 WeakPolarHBondContact CA-O 3.46Å; V216-I276 HydrophobicContact CB-CB 4.23Å; V216-I276 PolarHBondContact N-O 3.07Å; V216-I276 PolarHBondContact O-N 2.75Å; I218-I276 HydrophobicContact CD1-CD1 3.82Å; I230-I276 HydrophobicContact CD1-CD1 4.23Å; I230-I276 HydrophobicContact CD1-CG1 4.12Å; I230-I276 HydrophobicContact CG2-CD1 3.83Å; I230-I276 HydrophobicContact CG2-CG1 4.25Å; I230-I276 HydrophobicContact CG2-CG2 4.27Å; L237-I276 HydrophobicContact CD1-CD1 4.21Å; L237-I276 HydrophobicContact CD1-CG2 4.39Å; L237-I276 HydrophobicContact CD2-CD1 4.34Å; A239-I276 HydrophobicContact CB-CD1 4.32Å; A267-I276 HydrophobicContact CB-CG1 4.37Å; I274-I276 HydrophobicContact CG2-CG1 4.31Å; I276-L278 HydrophobicContact CG2-CD2 3.87Å; I276-L278 HydrophobicContact CG2-CG 4.17Å
277Q97.9Very high95Very high71 Ų7140.2 Ų40.233%0.33225%0.252SS..EExtended strand (participates in β ladder)trans-101.3109178.2-62.7-179.77.400109.2T215 S265 S266T215-Q277 HydrophobicContact CG2-CG 4.47Å; S265-Q277 CarbonylContact C-O 3.52Å; S265-Q277 WeakPolarHBondContact CA-O 3.46Å; S265-Q277 WeakPolarHBondContact CB-O 3.26Å; S266-Q277 PolarHBondContact N-O 3.07Å; S266-Q277 PolarHBondContact O-N 3.09Å
278L98Very high94.7Very high0 Ų042 Ų420%026%0.264CS..EExtended strand (participates in β ladder)trans-100.4117.7178.6-59177.6000110E213 V214 V216 V232 L237 L256 V260 S265 I276 K280E213-L278 CarbonylContact C-O 3.45Å; E213-L278 VanDerWaalsContact CA-O 3.26Å; E213-L278 WeakPolarHBondContact CA-O 3.3Å; E213-L278 WeakPolarHBondContact CB-O 3.48Å; V214-L278 HydrophobicContact CB-CB 4.33Å; V214-L278 PolarHBondContact N-O 3.25Å; V214-L278 PolarHBondContact O-N 3.43Å; V216-L278 HydrophobicContact CG2-CD1 4.4Å; V232-L278 HydrophobicContact CG1-CD2 4.22Å; V232-L278 HydrophobicContact CG2-CD2 3.87Å; L237-L278 HydrophobicContact CD2-CD1 4.41Å; L256-L278 HydrophobicContact CD1-CD1 3.96Å; L256-L278 HydrophobicContact CD2-CD1 3.88Å; V260-L278 HydrophobicContact CG1-CB 3.99Å; V260-L278 HydrophobicContact CG1-CD1 4.47Å; S265-L278 WeakPolarHBondContact OG-CA 3.32Å; I276-L278 HydrophobicContact CG2-CD2 3.87Å; I276-L278 HydrophobicContact CG2-CG 4.17Å; L278-K280 PolarHBondContact O-N 2.85Å
279K97.2Very high94.5Very high72 Ų7240.5 Ų40.531%0.31326%0.255SS..EExtended strand (participates in β ladder)trans-77.6124.9175.9-168.471.3179-174.60109.8V260 N261 A264 S265 A281V260-K279 CarbonylContact C-O 3.5Å; V260-K279 WeakPolarHBondContact CA-O 3.08Å; V260-K279 WeakPolarHBondContact CB-O 3.43Å; N261-K279 HydrophobicContact CB-CB 4.27Å; N261-K279 HydrophobicContact CB-CG 4.44Å; N261-K279 PolarHBondContact N-O 2.77Å; A264-K279 HydrophobicContact CB-CB 3.7Å; A264-K279 HydrophobicContact CB-CG 3.89Å; S265-K279 PolarHBondContact OG-N 3.4Å; S265-K279 VanDerWaalsContact OG-N 3.14Å; K279-A281 PolarHBondContact O-N 3.05Å
280K96Very high94.3Very high11 Ų1142.6 Ų42.65%0.04827%0.268CS..EExtended strand (participates in β ladder)trans-68.5132.1175.9-65173.8179.2171.20109.7T210 K212 E213 V214 L278 N282 G284 W286T210-K280 PolarHBondContact O-NZ 3.16Å; K212-K280 WeakPolarHBondContact O-CB 3.34Å; K212-K280 PolarHBondContact O-N 3.01Å; E213-K280 WeakPolarHBondContact O-CE 3.38Å; V214-K280 HydrophobicContact CG2-CD 4.37Å; V214-K280 HydrophobicContact CG2-CG 4.17Å; L278-K280 PolarHBondContact O-N 2.85Å; K280-N282 VanDerWaalsContact C-N 3.32Å; K280-G284 PolarHBondContact NZ-O 3.36Å; K280-W286 HydrophobicContact CG-CZ2 4.31Å
281A93.5Very high93.8Very high44 Ų4444.1 Ų44.136%0.36427%0.272SS..SBendtrans-66-40.7171.400000110.5E259 K279E259-A281 HydrophobicContact CB-CB 3.79Å; E259-A281 WeakPolarHBondContact O-CB 3.35Å; E259-A281 PolarHBondContact O-N 3.33Å; K279-A281 PolarHBondContact O-N 3.05Å
282N90.4Very high93.1Very high106 Ų10653.5 Ų53.557%0.56731%0.311SS*.SBendtrans-116.5120.3176.9-64.6-59.2000110.3K280K280-N282 VanDerWaalsContact C-N 3.32Å
283P89.1Confident93.1Very high107 Ų10752.6 Ų52.670%0.69530%0.301SS*.  trans-58139.5175.5-24.133.8000112G211G211-P283 WeakPolarHBondContact O-CA 3.25Å
284G88.2Confident92.9Very high35 Ų3552.7 Ų52.736%0.36131%0.306SS..SBendtrans156.8167.1-17800000112.8G211 K280G211-G284 PolarHBondContact O-N 3.06Å; G211-G284 VanDerWaalsContact O-N 3.15Å; K280-G284 PolarHBondContact NZ-O 3.36Å
285A90.8Very high92.7Very high65 Ų6555.7 Ų55.754%0.53732%0.323SS..  trans-88.1124.2176.100000110.3
286W92.3Very high92.3Very high13 Ų1356.2 Ų56.25%0.04933%0.329CS..  trans-79.7133.1171.6-70.216.9000109.5W207 Q209 V214 L256 W257 G258 V260 K280 S288 L289W207-W286 HydrophobicContact CZ3-CB 4.48Å; Q209-W286 PolarHBondContact NE2-O 3.45Å; V214-W286 HydrophobicContact CG2-CD2 3.76Å; V214-W286 HydrophobicContact CG2-CE3 3.79Å; V214-W286 HydrophobicContact CG2-CG 4.34Å; V214-W286 HydrophobicContact CG2-CH2 4.21Å; V214-W286 HydrophobicContact CG2-CZ2 4.19Å; V214-W286 HydrophobicContact CG2-CZ3 4.02Å; L256-W286 HydrophobicContact CB-CH2 3.95Å; L256-W286 HydrophobicContact CB-CZ3 4.03Å; L256-W286 HydrophobicContact CD2-CH2 4.48Å; L256-W286 HydrophobicContact CD2-CZ3 4.18Å; W257-W286 HydrophobicContact CB-CD2 4.35Å; W257-W286 HydrophobicContact CB-CE3 3.91Å; W257-W286 HydrophobicContact CB-CZ3 4.38Å; W257-W286 HydrophobicContact CD2-CB 4.3Å; W257-W286 HydrophobicContact CD2-CG 4.44Å; W257-W286 HydrophobicContact CE3-CB 3.73Å; W257-W286 AromaticContact CE3-CD1 3.68Å; W257-W286 HydrophobicContact CE3-CD2 4.04Å; W257-W286 AromaticContact CE3-CG 3.55Å; W257-W286 HydrophobicContact CE3-CG 3.55Å; W257-W286 HydrophobicContact CZ3-CB 4.25Å; W257-W286 AromaticContact CZ3-CD1 3.84Å; W257-W286 HydrophobicContact CZ3-CG 4.11Å; G258-W286 VanDerWaalsContact CA-CZ2 3.41Å; G258-W286 WeakPolarHBondContact O-CH2 3.35Å; G258-W286 VanDerWaalsContact O-CZ2 3.28Å; G258-W286 WeakPolarHBondContact O-CZ2 3.19Å; V260-W286 HydrophobicContact CG1-CH2 3.74Å; V260-W286 HydrophobicContact CG1-CZ2 3.97Å; K280-W286 HydrophobicContact CG-CZ2 4.31Å; W286-S288 VanDerWaalsContact C-N 3.33Å; W286-L289 HydrophobicContact CZ3-CD1 4.36Å
287A90.2Very high92Very high60 Ų6059.7 Ų59.750%0.49635%0.35SS..SBendtrans-74.9-27.1177.300000112.5R84 W257R84-A287 HydrophobicContact CB-CB 4.33Å; W257-A287 HydrophobicContact CZ2-CB 4.11Å
288S92.7Very high91.6Very high37 Ų3758.9 Ų58.926%0.25935%0.351SS..  trans-146.7160.6-180175.60000108.7W257 W286 V290W257-S288 WeakPolarHBondContact CB-O 3.09Å; W286-S288 VanDerWaalsContact C-N 3.33Å; S288-V290 WeakPolarHBondContact CB-O 3.39Å; S288-V290 PolarHBondContact OG-N 3.11Å; S288-V290 VanDerWaalsContact OG-N 3.08Å; S288-V290 PolarHBondContact OG-O 3.29Å
289L94Very high91.1Very high3 Ų363.1 Ų63.12%0.01638%0.376CS..SBendtrans-72.4-39.9165.8-178.665.2000110.8Y205 W207 V214 V216 I254 L256 W257 W286Y205-L289 HydrophobicContact CE2-CD2 4.2Å; W207-L289 HydrophobicContact CB-CD1 4.32Å; W207-L289 HydrophobicContact CB-CD2 3.99Å; W207-L289 HydrophobicContact CD2-CB 3.73Å; W207-L289 HydrophobicContact CD2-CD1 4.41Å; W207-L289 HydrophobicContact CE3-CB 4.38Å; W207-L289 HydrophobicContact CG-CB 3.78Å; W207-L289 HydrophobicContact CG-CD1 4.3Å; W207-L289 HydrophobicContact CG-CD2 3.96Å; W207-L289 HydrophobicContact CG-CG 4.24Å; W207-L289 HydrophobicContact CZ2-CB 4.3Å; W207-L289 VanDerWaalsContact CZ2-N 3.33Å; V214-L289 HydrophobicContact CG1-CD1 3.74Å; V216-L289 HydrophobicContact CG1-CD2 4.41Å; V216-L289 HydrophobicContact CG2-CD1 3.74Å; V216-L289 HydrophobicContact CG2-CD2 3.97Å; I254-L289 HydrophobicContact CD1-CD2 3.5Å; I254-L289 HydrophobicContact CD1-CG 3.78Å; L256-L289 WeakPolarHBondContact CA-O 2.89Å; L256-L289 HydrophobicContact CD2-CD1 4.11Å; W257-L289 PolarHBondContact N-O 3.05Å; W286-L289 HydrophobicContact CZ3-CD1 4.36Å
290V93.1Very high90.7Very high43 Ų4362.5 Ų62.526%0.26138%0.381SS..BIsolated β-bridgetrans-100.3133.5-172.5-1720000109.9I254 P255 S288I254-V290 HydrophobicContact CB-CG2 4.19Å; I254-V290 HydrophobicContact CD1-CG2 4.12Å; I254-V290 HydrophobicContact CG2-CG2 4.15Å; P255-V290 HydrophobicContact CG-CG1 4.03Å; P255-V290 CarbonylContact O-C 3.56Å; P255-V290 VanDerWaalsContact O-CA 3.31Å; P255-V290 WeakPolarHBondContact O-CA 3.41Å; S288-V290 WeakPolarHBondContact CB-O 3.39Å; S288-V290 PolarHBondContact OG-N 3.11Å; S288-V290 VanDerWaalsContact OG-N 3.08Å; S288-V290 PolarHBondContact OG-O 3.29Å
291Y87.8Confident90.2Very high66 Ų6666.8 Ų66.826%0.25941%0.408SS..  trans-73.9125.5170.1-172.2-83.5000109.8A86 R89 P255A86-Y291 HydrophobicContact CB-CD2 3.82Å; A86-Y291 HydrophobicContact CB-CE2 3.41Å; A86-Y291 VanDerWaalsContact CB-CE2 3.41Å; R89-Y291 HydrophobicContact CB-CE2 4.2Å; R89-Y291 VanDerWaalsContact NH1-CG 3.31Å; P255-Y291 PolarHBondContact O-N 3.17Å
292Q80.4Confident89.9Confident222 Ų22268.8 Ų68.8100%1.03741%0.412SS*.  trans-93.40176.7-69.3-176-33.300111.7

Retrieved 292 of 292 residues in 134.2 ms (Link to these results)