A0A087Y390_POEFO Loading...

von Willebrand factor A domain-containing protein 1

Promotes matrix assembly. Involved in the organization of skeletal muscles and in the formation of neuromuscular junctions.

AlphaFold DB , UniProt , Accession A0A087Y390, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 481 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
1M31.5Very low32.3Very low235 Ų235137.7 Ų137.7100%1.15883%0.825SS**  094.20-169.5175.6-101.300106.2
2V26.5Very low33.9Very low144 Ų144134.4 Ų134.487%0.87381%0.806SS**  trans-101.8113.3-177178.60000106.2S4V2-S4 PolarHBondContact O-N 3.41Å
3C24.8Very low35.8Very low113 Ų113127.6 Ų127.676%0.76476%0.763SS**  trans-73.3109.9174.3-690000108.7Q5C3-Q5 PolarHBondContact O-N 3.39Å
4S30.6Very low37.1Very low108 Ų108126.3 Ų126.376%0.75575%0.75SS**  trans-65.711316142.60000109.1V2V2-S4 PolarHBondContact O-N 3.41Å
5Q30.3Very low38.4Very low187 Ų187121.6 Ų121.687%0.87473%0.725SS**  trans-87.9101.1159.4-73.2-168.8-1.100107.7C3 S7C3-Q5 PolarHBondContact O-N 3.39Å; Q5-S7 PolarHBondContact O-N 2.92Å; Q5-S7 VanDerWaalsContact O-N 3.14Å
6N31.6Very low40.3Very low164 Ų164114.1 Ų114.188%0.87768%0.68SS**  trans-63.2102.3156.8-94.6-7.3000107.4
7S29.5Very low42.9Very low111 Ų111110.1 Ų110.178%0.77665%0.653SS**PPolyproline II helixtrans-73.4130.1160440000108.7Q5Q5-S7 PolarHBondContact O-N 2.92Å; Q5-S7 VanDerWaalsContact O-N 3.14Å
8A26.8Very low45.5Very low89 Ų89103.9 Ų103.974%0.73662%0.617SS**PPolyproline II helixtrans-60.9146.7169.500000110.1
9P36.2Very low48.1Very low126 Ų12698.5 Ų98.582%0.81858%0.584SS**PPolyproline II helixtrans-64.1138.5178.926.8-33.8000110.7G11P9-G11 PolarHBondContact O-N 3.35Å
10E41.8Very low50.5Low178 Ų17893.7 Ų93.783%0.83256%0.556SS**PPolyproline II helixtrans-48.7133.4175.5-75.1-179.8142.900111.3
11G45.4Very low52.8Low60 Ų6089.2 Ų89.262%0.61953%0.529SS*.PPolyproline II helixtrans-61.5135.7-162.800000114.8P9 L13P9-G11 PolarHBondContact O-N 3.35Å; G11-L13 PolarHBondContact O-N 3.34Å
12V52Low56Low98 Ų9878 Ų7859%0.59447%0.474SS*.PPolyproline II helixtrans-60.2128.1171.3-179.70000110.7N14 S50V12-N14 WeakPolarHBondContact CG1-OD1 3.46Å; V12-N14 PolarHBondContact O-N 3.11Å; V12-S50 WeakPolarHBondContact CG1-OG 3.13Å
13L58.9Low59.4Low46 Ų4671.1 Ų71.124%0.24143%0.432CS..BIsolated β-bridgetrans-84.393179.9-66.4166.8000111.2G11 C15 P48 F49 S50 I197G11-L13 PolarHBondContact O-N 3.34Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-C15 PolarHBondContact O-N 2.95Å; L13-P48 VanDerWaalsContact CB-O 3.28Å; L13-P48 WeakPolarHBondContact CB-O 3.47Å; L13-P48 HydrophobicContact CD1-CB 3.82Å; L13-P48 HydrophobicContact CG-CB 4.17Å; L13-P48 PolarHBondContact N-O 3.4Å; L13-F49 HydrophobicContact CD1-CD1 4.47Å; L13-S50 PolarHBondContact O-N 2.75Å; L13-I197 HydrophobicContact CD1-CD1 3.65Å; L13-I197 HydrophobicContact CD2-CD1 4.47Å
14N53.9Low62.9Low109 Ų10965.8 Ų65.858%0.58340%0.396SS*.THydrogen-bonded Turntrans-86.98.2177.2-70.6-12.6000114.7V12 S50V12-N14 WeakPolarHBondContact CG1-OD1 3.46Å; V12-N14 PolarHBondContact O-N 3.11Å; N14-S50 WeakPolarHBondContact OD1-CB 3.42Å; N14-S50 PolarHBondContact OD1-OG 3.05Å
15C56.7Low66Low56 Ų5660.6 Ų60.638%0.37836%0.36SS..THydrogen-bonded Turntrans-100.92.9-169.5710000115.2L13 K201 R204L13-C15 VanDerWaalsContact C-N 3.33Å; L13-C15 PolarHBondContact O-N 2.95Å; C15-K201 VanDerWaalsContact SG-CE 3.52Å; C15-R204 PolarHBondContact O-NH2 3.1Å
16C69Low69.1Low1 Ų151.7 Ų51.71%0.00732%0.318CS..  trans-119.7122.5-169.6-59.70000110.6F49 Q55 V56 I200C16-F49 HydrophobicContact CB-CD1 4.42Å; C16-F49 HydrophobicContact CB-CE1 4.35Å; C16-Q55 CarbonylContact O-C 3.52Å; C16-Q55 WeakPolarHBondContact O-CA 3.47Å; C16-V56 HydrophobicContact CB-CG2 3.63Å; C16-V56 WeakPolarHBondContact O-CG2 3.49Å; C16-V56 PolarHBondContact O-N 2.95Å; C16-I200 HydrophobicContact CB-CG2 3.89Å
17E84.4Confident72Confident46 Ų4644 Ų4422%0.21528%0.277CS..  trans-125.3112.8172.6-177.5-177.4-150.900109D54 R119 L122 I200 N278E17-D54 WeakPolarHBondContact OE1-CA 3.47Å; E17-R119 IonicContact OE1-NH1 2.91Å; E17-L122 HydrophobicContact CG-CD1 3.75Å; E17-L122 HydrophobicContact CG-CD2 4Å; E17-I200 VanDerWaalsContact O-CG2 3.31Å; E17-I200 WeakPolarHBondContact O-CG2 3.46Å; E17-N278 PolarHBondContact OE2-ND2 2.89Å
18G89.4Confident75Confident0 Ų041.1 Ų41.10%027%0.265CS..EExtended strand (participates in β ladder)trans178.6169.3-177.700000111.9V56 R57 R119 P123G18-V56 VanDerWaalsContact O-CA 3.3Å; G18-V56 WeakPolarHBondContact O-CA 3.42Å; G18-R57 PolarHBondContact O-N 3.37Å; G18-R119 PolarHBondContact O-NH2 2.94Å; G18-P123 WeakPolarHBondContact CA-O 3.14Å
19D94.8Very high78Confident0 Ų039 Ų390%025%0.245CC..EExtended strand (participates in β ladder)trans-109.7122.2-177.4-64.5-32000110.6R57 F73 A118 R119 P123 R124 V125D19-R57 WeakPolarHBondContact CA-O 3.25Å; D19-R57 WeakPolarHBondContact OD1-CB 3.26Å; D19-F73 HydrophobicContact CB-CD1 4Å; D19-F73 HydrophobicContact CB-CD2 4.24Å; D19-F73 HydrophobicContact CB-CE1 3.72Å; D19-F73 HydrophobicContact CB-CE2 3.93Å; D19-F73 HydrophobicContact CB-CG 4.27Å; D19-F73 HydrophobicContact CB-CZ 3.67Å; D19-A118 HydrophobicContact CB-CB 4.39Å; D19-A118 WeakPolarHBondContact OD2-CA 3.38Å; D19-R119 IonicContact OD1-CZ 3.1Å; D19-R119 IonicContact OD1-NE 3.99Å; D19-R119 PolarHBondContact OD1-NE 3.19Å; D19-R119 IonicContact OD1-NH2 3.57Å; D19-R119 PolarHBondContact OD1-NH2 2.96Å; D19-R119 WeakPolarHBondContact OD2-CB 3.23Å; D19-R119 PolarHBondContact OD2-N 2.89Å; D19-R119 IonicContact OD2-NE 2.64Å; D19-P123 PolarHBondContact N-O 2.77Å; D19-R124 HydrophobicContact CB-CG 4.42Å; D19-R124 CarbonylContact O-C 3.57Å; D19-R124 WeakPolarHBondContact O-CA 3.41Å; D19-V125 PolarHBondContact O-N 2.8Å
20V97Very high80.7Confident2 Ų233.5 Ų33.51%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-117107.9-176.2-172.60000109.8F22 V56 R57 V58 G59 V125 V127 I196 I200V20-F22 HydrophobicContact CB-CE2 4.41Å; V20-F22 HydrophobicContact CG1-CD2 4.4Å; V20-F22 HydrophobicContact CG1-CE1 4.46Å; V20-F22 HydrophobicContact CG1-CE2 3.7Å; V20-F22 HydrophobicContact CG1-CZ 3.75Å; V20-V56 HydrophobicContact CG2-CG1 3.99Å; V20-R57 PolarHBondContact N-O 3.47Å; V20-V58 WeakPolarHBondContact O-CA 3.31Å; V20-G59 PolarHBondContact O-N 2.81Å; V20-V125 CarbonylContact C-O 3.6Å; V20-V125 WeakPolarHBondContact CA-O 3.34Å; V20-V125 HydrophobicContact CG1-CB 4.34Å; V20-V125 HydrophobicContact CG2-CB 4.32Å; V20-V127 HydrophobicContact CG1-CG2 4.04Å; V20-I196 HydrophobicContact CG2-CG2 3.97Å; V20-I200 HydrophobicContact CG2-CD1 3.92Å
21L98.3Very high83.2Confident0 Ų028.4 Ų28.40%019%0.19CC..EExtended strand (participates in β ladder)trans-92.8125.1174.9179.757.1000109.8L61 F73 A105 V109 L110 V125 L126 V127L21-L61 HydrophobicContact CD1-CB 4.18Å; L21-F73 HydrophobicContact CB-CE1 4.3Å; L21-F73 HydrophobicContact CB-CZ 3.94Å; L21-A105 HydrophobicContact CD2-CB 3.72Å; L21-V109 HydrophobicContact CD1-CG1 3.89Å; L21-V109 HydrophobicContact CD2-CB 4.07Å; L21-V109 HydrophobicContact CD2-CG1 3.9Å; L21-V109 HydrophobicContact CG-CG1 4.44Å; L21-L110 HydrophobicContact CB-CD2 3.98Å; L21-L110 HydrophobicContact CD2-CD1 3.96Å; L21-L110 HydrophobicContact CD2-CD2 4.16Å; L21-L110 HydrophobicContact CD2-CG 3.77Å; L21-V125 PolarHBondContact N-O 3.45Å; L21-L126 HydrophobicContact CB-CD1 4.07Å; L21-L126 HydrophobicContact CD2-CD1 3.93Å; L21-L126 HydrophobicContact CG-CD1 3.85Å; L21-L126 CarbonylContact O-C 3.45Å; L21-L126 WeakPolarHBondContact O-CA 3.37Å; L21-V127 PolarHBondContact O-N 2.82Å
22F98.5Very high85.5Confident0 Ų028.8 Ų28.80%018%0.183CC..EExtended strand (participates in β ladder)trans-93.8121.3168.4-66.5-83000110.1V20 L42 L45 L46 V58 G59 L60 L61 V127 L129V20-F22 HydrophobicContact CB-CE2 4.41Å; V20-F22 HydrophobicContact CG1-CD2 4.4Å; V20-F22 HydrophobicContact CG1-CE1 4.46Å; V20-F22 HydrophobicContact CG1-CE2 3.7Å; V20-F22 HydrophobicContact CG1-CZ 3.75Å; F22-L42 HydrophobicContact CB-CD1 4.26Å; F22-L42 HydrophobicContact CD1-CD1 4.31Å; F22-L42 HydrophobicContact CD1-CD2 3.24Å; F22-L42 HydrophobicContact CD1-CG 4.41Å; F22-L42 HydrophobicContact CE1-CD2 3.37Å; F22-L42 HydrophobicContact CG-CD1 4.26Å; F22-L42 HydrophobicContact CG-CD2 3.94Å; F22-L42 HydrophobicContact CZ-CD2 4.17Å; F22-L45 HydrophobicContact CE1-CD2 3.7Å; F22-L45 HydrophobicContact CZ-CD2 3.87Å; F22-L46 HydrophobicContact CD2-CD1 4.36Å; F22-L46 HydrophobicContact CE2-CD1 3.69Å; F22-L46 HydrophobicContact CE2-CD2 3.8Å; F22-L46 HydrophobicContact CE2-CG 4.15Å; F22-L46 HydrophobicContact CZ-CD1 4.09Å; F22-L46 HydrophobicContact CZ-CD2 3.85Å; F22-L46 HydrophobicContact CZ-CG 4.16Å; F22-V58 HydrophobicContact CD2-CG1 3.63Å; F22-V58 HydrophobicContact CE2-CG1 3.64Å; F22-G59 PolarHBondContact N-O 3.05Å; F22-L60 HydrophobicContact CB-CG 4.3Å; F22-L60 WeakPolarHBondContact O-CA 3.38Å; F22-L61 PolarHBondContact O-N 2.83Å; F22-V127 CarbonylContact C-O 3.46Å; F22-V127 WeakPolarHBondContact CA-O 3.42Å; F22-V127 HydrophobicContact CD1-CB 3.66Å; F22-V127 HydrophobicContact CD1-CG1 4.04Å; F22-V127 HydrophobicContact CD1-CG2 4.31Å; F22-V127 HydrophobicContact CE1-CB 3.71Å; F22-V127 HydrophobicContact CE1-CG1 3.94Å; F22-V127 HydrophobicContact CE1-CG2 3.92Å; F22-V127 HydrophobicContact CZ-CG2 4.5Å; F22-L129 HydrophobicContact CD1-CD1 3.89Å
23L98.3Very high87.5Confident0 Ų030.1 Ų30.10%018%0.179CC..EExtended strand (participates in β ladder)trans-95.9105.2168-175.365.7000107.5L61 V63 T98 A101 L102 L126 V127 W128 L129L23-L61 WeakPolarHBondContact CA-O 3.25Å; L23-L61 HydrophobicContact CD1-CB 4.24Å; L23-L61 HydrophobicContact CD1-CD2 3.96Å; L23-L61 HydrophobicContact CD1-CG 3.92Å; L23-V63 HydrophobicContact CD1-CG2 3.56Å; L23-V63 HydrophobicContact CD2-CG2 4.43Å; L23-V63 HydrophobicContact CG-CG2 3.83Å; L23-T98 HydrophobicContact CD2-CG2 4.2Å; L23-A101 HydrophobicContact CD1-CB 3.78Å; L23-L102 HydrophobicContact CD2-CD2 3.67Å; L23-L102 HydrophobicContact CD2-CG 4.26Å; L23-L126 HydrophobicContact CB-CD1 3.93Å; L23-V127 PolarHBondContact N-O 2.88Å; L23-W128 HydrophobicContact CB-CB 4.32Å; L23-W128 HydrophobicContact CB-CG 4.4Å; L23-W128 HydrophobicContact CD2-CB 4.42Å; L23-W128 HydrophobicContact CD2-CD2 4.41Å; L23-W128 HydrophobicContact CD2-CG 3.93Å; L23-W128 HydrophobicContact CG-CG 4.36Å; L23-W128 WeakPolarHBondContact O-CA 3.4Å; L23-L129 PolarHBondContact O-N 3.15Å
24L98Very high89.1Confident0 Ų030 Ų300%018%0.177CC..EExtended strand (participates in β ladder)trans-101.4121.8-174.8-18064.3000110.2S26 M38 L39 L60 L61 Q62 V63 L129L24-S26 PolarHBondContact O-N 3.37Å; L24-M38 HydrophobicContact CD1-CB 3.77Å; L24-M38 HydrophobicContact CD1-CE 3.96Å; L24-M38 HydrophobicContact CD1-CG 4.4Å; L24-M38 HydrophobicContact CD1-SD 3.79Å; L24-L39 HydrophobicContact CD2-CD2 3.79Å; L24-L39 HydrophobicContact CD2-CG 4.23Å; L24-L60 HydrophobicContact CB-CD2 4.34Å; L24-L60 HydrophobicContact CD2-CD2 4.41Å; L24-L61 PolarHBondContact N-O 3.15Å; L24-Q62 HydrophobicContact CD2-CG 4.47Å; L24-Q62 CarbonylContact O-C 3.53Å; L24-Q62 WeakPolarHBondContact O-CA 3.43Å; L24-V63 PolarHBondContact O-N 2.92Å; L24-L129 HydrophobicContact CD1-CB 4.09Å; L24-L129 HydrophobicContact CD1-CD2 4.42Å
25D95.1Very high91.1Very high0 Ų025 Ų250%015%0.15CC..EExtended strand (participates in β ladder)trans-71.9117.5171.5-157.1-24.4000111.1S27 V30 M38 L129 T130D25-S27 VanDerWaalsContact OD1-CB 3.26Å; D25-S27 WeakPolarHBondContact OD1-CB 3.36Å; D25-S27 PolarHBondContact OD1-N 2.88Å; D25-S27 VanDerWaalsContact OD1-N 3.11Å; D25-S27 PolarHBondContact OD1-OG 2.84Å; D25-V30 HydrophobicContact CB-CG2 4.21Å; D25-M38 VanDerWaalsContact O-CE 3.3Å; D25-M38 WeakPolarHBondContact O-CE 3.05Å; D25-L129 VanDerWaalsContact CB-O 3.24Å; D25-L129 WeakPolarHBondContact CB-O 3.34Å; D25-L129 PolarHBondContact N-O 3.48Å; D25-T130 PolarHBondContact OD2-OG1 3.18Å
26S95.4Very high93Very high0 Ų024.9 Ų24.90%015%0.153CC..  trans-129.723.6179.6-57.70000111L24 H35 Q62 V63 R93L24-S26 PolarHBondContact O-N 3.37Å; S26-H35 PolarHBondContact OG-CD2 2.87Å; S26-H35 PolarHBondContact OG-NE2 2.89Å; S26-Q62 PolarHBondContact OG-OE1 3.49Å; S26-V63 CarbonylContact C-O 3.59Å; S26-V63 VanDerWaalsContact CA-O 3.3Å; S26-V63 WeakPolarHBondContact CA-O 3.16Å; S26-V63 WeakPolarHBondContact CB-O 3.1Å; S26-V63 PolarHBondContact N-O 3.13Å; S26-R93 WeakPolarHBondContact O-CA 3.42Å; S26-R93 PolarHBondContact O-N 2.94Å
27S93.8Very high94.3Very high1 Ų128.6 Ų28.61%0.00717%0.167CC..SBendtrans-69.2175.6177.264.90000111.8D25 S29 V30 V63 T96D25-S27 VanDerWaalsContact OD1-CB 3.26Å; D25-S27 WeakPolarHBondContact OD1-CB 3.36Å; D25-S27 PolarHBondContact OD1-N 2.88Å; D25-S27 VanDerWaalsContact OD1-N 3.11Å; D25-S27 PolarHBondContact OD1-OG 2.84Å; S27-S29 VanDerWaalsContact C-N 3.26Å; S27-S29 PolarHBondContact O-N 2.85Å; S27-S29 PolarHBondContact OG-OG 2.89Å; S27-V30 PolarHBondContact O-N 2.84Å; S27-V63 PolarHBondContact N-O 2.83Å; S27-T96 WeakPolarHBondContact CB-OG1 3.06Å; S27-T96 PolarHBondContact OG-OG1 3.11Å; S27-T96 VanDerWaalsContact OG-OG1 3.06Å
28G90.9Very high94.9Very high51 Ų5126.4 Ų26.453%0.52616%0.157SC..THydrogen-bonded Turntrans-72.2-13.3-173.100000115G94G28-G94 VanDerWaalsContact CA-O 3.32Å; G28-G94 WeakPolarHBondContact CA-O 3.19Å; G28-G94 PolarHBondContact N-O 3.05Å
29S90.8Very high95.3Very high44 Ų4427.1 Ų27.131%0.30816%0.161SC..THydrogen-bonded Turntrans-78.1-25.3171.853.10000112.6S27 D131S27-S29 VanDerWaalsContact C-N 3.26Å; S27-S29 PolarHBondContact O-N 2.85Å; S27-S29 PolarHBondContact OG-OG 2.89Å; S29-D131 WeakPolarHBondContact CB-OD2 3.39Å; S29-D131 PolarHBondContact OG-OD2 3.47Å
30V92.6Very high95.4Very high11 Ų1129.3 Ų29.37%0.06718%0.176CC..SBendtrans-80.1119176.2-177.10000109.7D25 S27 E34 H35 M38 D131D25-V30 HydrophobicContact CB-CG2 4.21Å; S27-V30 PolarHBondContact O-N 2.84Å; V30-E34 HydrophobicContact CG1-CB 3.9Å; V30-H35 HydrophobicContact CG1-CB 4.01Å; V30-M38 HydrophobicContact CG1-CE 3.5Å; V30-M38 VanDerWaalsContact CG1-CE 3.5Å; V30-D131 HydrophobicContact CG2-CB 4.19Å
31T93.4Very high95.4Very high72 Ų7229.5 Ų29.544%0.44218%0.176SC..  trans-69.115817665.50000111.4Y33 E34 H35T31-Y33 PolarHBondContact O-N 2.79Å; T31-Y33 VanDerWaalsContact O-N 3.14Å; T31-E34 VanDerWaalsContact CB-OE2 3.28Å; T31-E34 WeakPolarHBondContact CB-OE2 3.48Å; T31-E34 VanDerWaalsContact CG2-OE2 3.3Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.31Å; T31-E34 PolarHBondContact N-OE2 3.11Å; T31-E34 PolarHBondContact O-N 2.81Å; T31-E34 WeakPolarHBondContact OG1-CG 3.49Å; T31-E34 PolarHBondContact OG1-N 2.81Å; T31-E34 VanDerWaalsContact OG1-N 3.13Å; T31-E34 PolarHBondContact OG1-OE2 2.93Å; T31-H35 WeakPolarHBondContact O-CB 3.17Å; T31-H35 PolarHBondContact O-N 3.25Å
32S93.4Very high95.4Very high67 Ų6729.5 Ų29.547%0.46918%0.176SC..Hα-helixtrans-58-28.6173.6-53.50000112.4A36 R93S32-A36 WeakPolarHBondContact O-CB 3.32Å; S32-A36 PolarHBondContact O-N 2.03Å; S32-R93 PolarHBondContact OG-NH2 3.25Å
33Y94.4Very high95.3Very high127 Ų12730.7 Ų30.750%0.49819%0.185SC..Hα-helixtrans-70-52.4176.5178.6-102.5000111.2T31 H35 A36 R37 I182 D183T31-Y33 PolarHBondContact O-N 2.79Å; T31-Y33 VanDerWaalsContact O-N 3.14Å; Y33-H35 VanDerWaalsContact C-N 3.32Å; Y33-H35 PolarHBondContact O-N 2.91Å; Y33-A36 PolarHBondContact O-N 2.85Å; Y33-A36 VanDerWaalsContact O-N 3.13Å; Y33-R37 HydrophobicContact CD1-CG 4.27Å; Y33-R37 HydrophobicContact CE1-CG 3.87Å; Y33-R37 HydrophobicContact CE2-CG 4.27Å; Y33-R37 WeakPolarHBondContact O-CG 3.23Å; Y33-R37 PolarHBondContact O-N 2.93Å; Y33-I182 HydrophobicContact CE1-CG2 4.3Å; Y33-D183 WeakPolarHBondContact CE1-OD1 3.49Å; Y33-D183 PolarHBondContact OH-OD1 2.94Å
34E94.1Very high95.2Very high42 Ų4234.8 Ų34.820%0.19620%0.204CC..Hα-helixtrans-60-43.6178.3-70.4158.3135.300111.6V30 T31 A36 R37 M38 I182V30-E34 HydrophobicContact CG1-CB 3.9Å; T31-E34 VanDerWaalsContact CB-OE2 3.28Å; T31-E34 WeakPolarHBondContact CB-OE2 3.48Å; T31-E34 VanDerWaalsContact CG2-OE2 3.3Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.31Å; T31-E34 PolarHBondContact N-OE2 3.11Å; T31-E34 PolarHBondContact O-N 2.81Å; T31-E34 WeakPolarHBondContact OG1-CG 3.49Å; T31-E34 PolarHBondContact OG1-N 2.81Å; T31-E34 VanDerWaalsContact OG1-N 3.13Å; T31-E34 PolarHBondContact OG1-OE2 2.93Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 2.95Å; E34-R37 PolarHBondContact O-N 2.96Å; E34-R37 VanDerWaalsContact O-N 3.17Å; E34-M38 WeakPolarHBondContact O-CG 3.37Å; E34-M38 PolarHBondContact O-N 2.99Å; E34-I182 HydrophobicContact CB-CD1 3.85Å; E34-I182 HydrophobicContact CB-CG1 3.97Å; E34-I182 HydrophobicContact CG-CB 4.23Å; E34-I182 HydrophobicContact CG-CD1 4.07Å; E34-I182 HydrophobicContact CG-CG1 3.75Å; E34-I182 HydrophobicContact CG-CG2 4.28Å
35H95.8Very high95.1Very high5 Ų534.8 Ų34.82%0.02320%0.204CC..Hα-helixtrans-58.5-43.7175.3-179.6-89.8000112.4S26 V30 T31 Y33 M38 L39 Q62 P91S26-H35 PolarHBondContact OG-CD2 2.87Å; S26-H35 PolarHBondContact OG-NE2 2.89Å; V30-H35 HydrophobicContact CG1-CB 4.01Å; T31-H35 WeakPolarHBondContact O-CB 3.17Å; T31-H35 PolarHBondContact O-N 3.25Å; Y33-H35 VanDerWaalsContact C-N 3.32Å; Y33-H35 PolarHBondContact O-N 2.91Å; H35-M38 PolarHBondContact O-N 3.33Å; H35-L39 WeakPolarHBondContact CE1-CD1 3.43Å; H35-L39 PolarHBondContact O-N 3.45Å; H35-L39 VanDerWaalsContact O-N 3.09Å; H35-Q62 PolarHBondContact NE2-OE1 3.09Å; H35-P91 HydrophobicContact CB-CB 4.43Å
36A95.9Very high95.1Very high54 Ų5434.9 Ų34.945%0.44620%0.204SC..Hα-helixtrans-65.7-38.4176.700000112.3S32 Y33 E34 L39 S40S32-A36 WeakPolarHBondContact O-CB 3.32Å; S32-A36 PolarHBondContact O-N 2.03Å; Y33-A36 PolarHBondContact O-N 2.85Å; Y33-A36 VanDerWaalsContact O-N 3.13Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 2.95Å; A36-L39 PolarHBondContact O-N 2.81Å; A36-S40 PolarHBondContact O-N 3.49Å
37R96.3Very high94.9Very high78 Ų7839.2 Ų39.229%0.29423%0.227SC..Hα-helixtrans-64.9-43.9175.2-70.4-64.9-65.1166.7-4.8112Y33 E34 L39 S40 F41 I182 D183Y33-R37 HydrophobicContact CD1-CG 4.27Å; Y33-R37 HydrophobicContact CE1-CG 3.87Å; Y33-R37 HydrophobicContact CE2-CG 4.27Å; Y33-R37 WeakPolarHBondContact O-CG 3.23Å; Y33-R37 PolarHBondContact O-N 2.93Å; E34-R37 PolarHBondContact O-N 2.96Å; E34-R37 VanDerWaalsContact O-N 3.17Å; R37-L39 VanDerWaalsContact C-N 3.35Å; R37-L39 PolarHBondContact O-N 3.16Å; R37-S40 WeakPolarHBondContact O-CB 3.34Å; R37-S40 PolarHBondContact O-N 2.96Å; R37-F41 WeakPolarHBondContact O-CB 2.93Å; R37-F41 PolarHBondContact O-N 3.02Å; R37-I182 HydrophobicContact CB-CD1 3.89Å; R37-I182 HydrophobicContact CB-CG1 3.64Å; R37-I182 HydrophobicContact CG-CG1 4.06Å; R37-D183 IonicContact NE-OD1 3.93Å; R37-D183 PolarHBondContact NH2-O 3.01Å
38M96.6Very high94.6Very high1 Ų140.1 Ų40.11%0.00523%0.233CC..Hα-helixtrans-59.8-42.9174.7-72.1-171-72.800112L24 D25 V30 E34 H35 F41 L42 L129 I182 M185L24-M38 HydrophobicContact CD1-CB 3.77Å; L24-M38 HydrophobicContact CD1-CE 3.96Å; L24-M38 HydrophobicContact CD1-CG 4.4Å; L24-M38 HydrophobicContact CD1-SD 3.79Å; D25-M38 VanDerWaalsContact O-CE 3.3Å; D25-M38 WeakPolarHBondContact O-CE 3.05Å; V30-M38 HydrophobicContact CG1-CE 3.5Å; V30-M38 VanDerWaalsContact CG1-CE 3.5Å; E34-M38 WeakPolarHBondContact O-CG 3.37Å; E34-M38 PolarHBondContact O-N 2.99Å; H35-M38 PolarHBondContact O-N 3.33Å; M38-F41 WeakPolarHBondContact O-CB 3.44Å; M38-F41 PolarHBondContact O-N 3.49Å; M38-L42 WeakPolarHBondContact O-CG 3.14Å; M38-L42 PolarHBondContact O-N 2.85Å; M38-L129 HydrophobicContact CB-CD2 4.19Å; M38-L129 HydrophobicContact CG-CD2 4.36Å; M38-L129 HydrophobicContact SD-CB 3.98Å; M38-I182 HydrophobicContact CG-CD1 3.94Å; M38-M185 HydrophobicContact CG-CE 4.27Å; M38-M185 HydrophobicContact CG-SD 4.05Å
39L97.4Very high94.4Very high15 Ų1538 Ų388%0.07921%0.209CC..Hα-helixtrans-65.3-38.9175.4-73.5173.1000112.8L24 H35 A36 R37 F41 L42 S43 L60 L86 I89L24-L39 HydrophobicContact CD2-CD2 3.79Å; L24-L39 HydrophobicContact CD2-CG 4.23Å; H35-L39 WeakPolarHBondContact CE1-CD1 3.43Å; H35-L39 PolarHBondContact O-N 3.45Å; H35-L39 VanDerWaalsContact O-N 3.09Å; A36-L39 PolarHBondContact O-N 2.81Å; R37-L39 VanDerWaalsContact C-N 3.35Å; R37-L39 PolarHBondContact O-N 3.16Å; L39-F41 VanDerWaalsContact C-N 3.34Å; L39-L42 PolarHBondContact O-N 2.86Å; L39-S43 WeakPolarHBondContact O-CB 3.03Å; L39-S43 PolarHBondContact O-N 2.92Å; L39-L60 HydrophobicContact CD2-CD1 4.4Å; L39-L86 HydrophobicContact CD2-CD2 4.17Å; L39-I89 HydrophobicContact CD1-CB 3.94Å; L39-I89 HydrophobicContact CD1-CG2 4.25Å; L39-I89 HydrophobicContact CD2-CB 4.24Å; L39-I89 HydrophobicContact CD2-CD1 3.92Å; L39-I89 HydrophobicContact CD2-CG2 4.44Å
40S96.4Very high94Very high46 Ų4636.8 Ų36.832%0.32220%0.201SC..Hα-helixtrans-61.2-44.2173.7-167.50000111.3A36 R37 S43 E44A36-S40 PolarHBondContact O-N 3.49Å; R37-S40 WeakPolarHBondContact O-CB 3.34Å; R37-S40 PolarHBondContact O-N 2.96Å; S40-S43 VanDerWaalsContact O-CB 3.31Å; S40-S43 WeakPolarHBondContact O-CB 3.37Å; S40-S43 PolarHBondContact O-N 2.83Å; S40-E44 PolarHBondContact O-N 2.85Å
41F97.6Very high93.8Very high5 Ų537.3 Ų37.32%0.02220%0.203CC..Hα-helixtrans-61-46.9175.3169.3-101.1000112R37 M38 L39 S43 E44 L45 L129 M185 I188 T189 L192R37-F41 WeakPolarHBondContact O-CB 2.93Å; R37-F41 PolarHBondContact O-N 3.02Å; M38-F41 WeakPolarHBondContact O-CB 3.44Å; M38-F41 PolarHBondContact O-N 3.49Å; L39-F41 VanDerWaalsContact C-N 3.34Å; F41-S43 VanDerWaalsContact C-N 3.29Å; F41-S43 PolarHBondContact O-N 2.9Å; F41-E44 PolarHBondContact O-N 2.88Å; F41-L45 HydrophobicContact CE1-CD2 4.32Å; F41-L45 VanDerWaalsContact O-CB 3.31Å; F41-L45 WeakPolarHBondContact O-CB 3.25Å; F41-L45 PolarHBondContact O-N 3.07Å; F41-L129 HydrophobicContact CD1-CD2 3.91Å; F41-L129 HydrophobicContact CE1-CD2 4.23Å; F41-M185 HydrophobicContact CB-CB 4.24Å; F41-M185 HydrophobicContact CB-CE 4.13Å; F41-M185 HydrophobicContact CB-SD 4.14Å; F41-M185 HydrophobicContact CD1-CE 3.52Å; F41-M185 HydrophobicContact CD2-CB 3.75Å; F41-M185 HydrophobicContact CD2-CE 4.37Å; F41-M185 WeakPolarHBondContact CD2-O 3.25Å; F41-M185 HydrophobicContact CE1-CE 3.95Å; F41-M185 HydrophobicContact CE2-CB 4.32Å; F41-M185 WeakPolarHBondContact CE2-O 3.17Å; F41-M185 HydrophobicContact CG-CB 4.06Å; F41-M185 HydrophobicContact CG-CE 3.74Å; F41-M185 HydrophobicContact CG-SD 4.3Å; F41-I188 HydrophobicContact CE2-CD1 4.41Å; F41-I188 HydrophobicContact CE2-CG1 3.96Å; F41-I188 HydrophobicContact CZ-CD1 4.09Å; F41-I188 HydrophobicContact CZ-CG1 4.09Å; F41-T189 WeakPolarHBondContact CD2-OG1 3.19Å; F41-T189 VanDerWaalsContact CE2-OG1 3.28Å; F41-T189 WeakPolarHBondContact CE2-OG1 2.98Å; F41-L192 HydrophobicContact CE1-CD2 3.83Å; F41-L192 HydrophobicContact CZ-CD2 3.58Å
42L97.8Very high93.3Very high0 Ų034.5 Ų34.50%019%0.189CC..Hα-helixtrans-59.9-40.8175.6-70.1-174.9000112F22 M38 L39 L45 L46 L60 L86 L129F22-L42 HydrophobicContact CB-CD1 4.26Å; F22-L42 HydrophobicContact CD1-CD1 4.31Å; F22-L42 HydrophobicContact CD1-CD2 3.24Å; F22-L42 HydrophobicContact CD1-CG 4.41Å; F22-L42 HydrophobicContact CE1-CD2 3.37Å; F22-L42 HydrophobicContact CG-CD1 4.26Å; F22-L42 HydrophobicContact CG-CD2 3.94Å; F22-L42 HydrophobicContact CZ-CD2 4.17Å; M38-L42 WeakPolarHBondContact O-CG 3.14Å; M38-L42 PolarHBondContact O-N 2.85Å; L39-L42 PolarHBondContact O-N 2.86Å; L42-L45 HydrophobicContact CD2-CD2 4.35Å; L42-L45 PolarHBondContact O-N 3.49Å; L42-L46 VanDerWaalsContact O-CB 3.27Å; L42-L46 WeakPolarHBondContact O-CB 3.21Å; L42-L46 WeakPolarHBondContact O-CD1 3.25Å; L42-L46 WeakPolarHBondContact O-CG 2.94Å; L42-L46 PolarHBondContact O-N 3.28Å; L42-L60 HydrophobicContact CD1-CD1 3.92Å; L42-L86 HydrophobicContact CB-CD2 4.5Å; L42-L129 HydrophobicContact CD1-CD2 4.39Å; L42-L129 HydrophobicContact CD2-CD1 3.86Å; L42-L129 HydrophobicContact CD2-CD2 3.72Å; L42-L129 HydrophobicContact CD2-CG 4.48Å; L42-L129 HydrophobicContact CG-CD2 3.94Å
43S96.7Very high92.6Very high25 Ų2540.4 Ų40.418%0.17520%0.201CC..Hα-helixtrans-55.4-53.3173.7150.90000110.8L39 S40 F41 L46 L47 Q83L39-S43 WeakPolarHBondContact O-CB 3.03Å; L39-S43 PolarHBondContact O-N 2.92Å; S40-S43 VanDerWaalsContact O-CB 3.31Å; S40-S43 WeakPolarHBondContact O-CB 3.37Å; S40-S43 PolarHBondContact O-N 2.83Å; F41-S43 VanDerWaalsContact C-N 3.29Å; F41-S43 PolarHBondContact O-N 2.9Å; S43-L46 PolarHBondContact O-N 2.97Å; S43-L47 WeakPolarHBondContact O-CG 3.24Å; S43-L47 PolarHBondContact O-N 2.79Å; S43-Q83 VanDerWaalsContact CB-OE1 3.23Å; S43-Q83 PolarHBondContact O-NE2 2.82Å; S43-Q83 VanDerWaalsContact O-NE2 3.12Å; S43-Q83 PolarHBondContact OG-OE1 3.35Å
44E96.3Very high91.7Very high86 Ų8637.9 Ų37.940%0.40220%0.196SC..Hα-helixtrans-65.2-41.4-179.9-71.5176.1-163.600113.4S40 F41 L46 L47 T189 R193S40-E44 PolarHBondContact O-N 2.85Å; F41-E44 PolarHBondContact O-N 2.88Å; E44-L46 PolarHBondContact O-N 2.78Å; E44-L47 PolarHBondContact O-N 3.14Å; E44-T189 HydrophobicContact CB-CG2 4.38Å; E44-R193 PolarHBondContact O-NH2 2.84Å
45L96.6Very high91.3Very high0 Ų037.9 Ų37.90%020%0.196CC..Hα-helixtrans-56.4-43.6175.8-17969.6000110.8F22 F41 L42 T189 L192 R193 I196F22-L45 HydrophobicContact CE1-CD2 3.7Å; F22-L45 HydrophobicContact CZ-CD2 3.87Å; F41-L45 HydrophobicContact CE1-CD2 4.32Å; F41-L45 VanDerWaalsContact O-CB 3.31Å; F41-L45 WeakPolarHBondContact O-CB 3.25Å; F41-L45 PolarHBondContact O-N 3.07Å; L42-L45 HydrophobicContact CD2-CD2 4.35Å; L42-L45 PolarHBondContact O-N 3.49Å; L45-T189 HydrophobicContact CB-CG2 4.42Å; L45-T189 HydrophobicContact CD1-CG2 4.41Å; L45-T189 WeakPolarHBondContact CD1-O 3.22Å; L45-L192 HydrophobicContact CD1-CB 4.2Å; L45-L192 HydrophobicContact CD1-CD2 4.19Å; L45-L192 HydrophobicContact CD1-CG 4.23Å; L45-L192 HydrophobicContact CD2-CD2 3.86Å; L45-L192 HydrophobicContact CD2-CG 4.46Å; L45-R193 HydrophobicContact CD1-CB 3.81Å; L45-R193 PolarHBondContact O-NE 3.04Å; L45-I196 HydrophobicContact CD2-CD1 4.12Å
46L94.9Very high91.1Very high2 Ų237.7 Ų37.71%0.0120%0.195CC..Hα-helixtrans-87.6-15.2-172.7-66.8169.1000114.8F22 L42 S43 E44 P48 F49 V58 Q79 L82 L86F22-L46 HydrophobicContact CD2-CD1 4.36Å; F22-L46 HydrophobicContact CE2-CD1 3.69Å; F22-L46 HydrophobicContact CE2-CD2 3.8Å; F22-L46 HydrophobicContact CE2-CG 4.15Å; F22-L46 HydrophobicContact CZ-CD1 4.09Å; F22-L46 HydrophobicContact CZ-CD2 3.85Å; F22-L46 HydrophobicContact CZ-CG 4.16Å; L42-L46 VanDerWaalsContact O-CB 3.27Å; L42-L46 WeakPolarHBondContact O-CB 3.21Å; L42-L46 WeakPolarHBondContact O-CD1 3.25Å; L42-L46 WeakPolarHBondContact O-CG 2.94Å; L42-L46 PolarHBondContact O-N 3.28Å; S43-L46 PolarHBondContact O-N 2.97Å; E44-L46 PolarHBondContact O-N 2.78Å; L46-P48 VanDerWaalsContact C-N 3.33Å; L46-F49 HydrophobicContact CD2-CD2 4.11Å; L46-F49 HydrophobicContact CD2-CE2 4.48Å; L46-F49 PolarHBondContact O-N 3.24Å; L46-V58 HydrophobicContact CD1-CG1 4.05Å; L46-V58 HydrophobicContact CD2-CG2 3.95Å; L46-Q79 PolarHBondContact O-NE2 2.88Å; L46-L82 HydrophobicContact CB-CD2 4.23Å; L46-L82 HydrophobicContact CD1-CD2 4.06Å; L46-L86 HydrophobicContact CD1-CD1 4.33Å
47L91.3Very high91Very high91 Ų9136.8 Ų36.848%0.47618%0.18SC..THydrogen-bonded Turntrans-49.3-43.8-179.2-87.5172.8000114.7S43 E44 Q79 Q83S43-L47 WeakPolarHBondContact O-CG 3.24Å; S43-L47 PolarHBondContact O-N 2.79Å; E44-L47 PolarHBondContact O-N 3.14Å; L47-Q79 VanDerWaalsContact CA-NE2 3.29Å; L47-Q79 HydrophobicContact CD2-CG 4.3Å; L47-Q83 HydrophobicContact CD2-CG 4.34Å
48P87.6Confident91Very high21 Ų2133.2 Ų33.214%0.13617%0.167CC..THydrogen-bonded Turntrans-82.1-9.6-176.1-21.338.5000115L13 L46 R193L13-P48 VanDerWaalsContact CB-O 3.28Å; L13-P48 WeakPolarHBondContact CB-O 3.47Å; L13-P48 HydrophobicContact CD1-CB 3.82Å; L13-P48 HydrophobicContact CG-CB 4.17Å; L13-P48 PolarHBondContact N-O 3.4Å; L46-P48 VanDerWaalsContact C-N 3.33Å; P48-R193 VanDerWaalsContact CG-CZ 3.46Å
49F85.6Confident91Very high5 Ų533.2 Ų33.22%0.02217%0.167CC..BIsolated β-bridgetrans-77.7136.9-177.8-75.2-80.3000112L13 C16 L46 L51 V56 R193 I196 I197L13-F49 HydrophobicContact CD1-CD1 4.47Å; C16-F49 HydrophobicContact CB-CD1 4.42Å; C16-F49 HydrophobicContact CB-CE1 4.35Å; L46-F49 HydrophobicContact CD2-CD2 4.11Å; L46-F49 HydrophobicContact CD2-CE2 4.48Å; L46-F49 PolarHBondContact O-N 3.24Å; F49-L51 HydrophobicContact CB-CD2 4.47Å; F49-V56 HydrophobicContact CD1-CB 4.33Å; F49-V56 HydrophobicContact CD1-CG2 3.64Å; F49-V56 HydrophobicContact CE1-CG2 4.16Å; F49-V56 HydrophobicContact CG-CG2 4.46Å; F49-R193 HydrophobicContact CE2-CG 3.78Å; F49-R193 HydrophobicContact CZ-CG 3.91Å; F49-I196 HydrophobicContact CZ-CB 4.48Å; F49-I196 HydrophobicContact CZ-CG2 3.98Å; F49-I197 HydrophobicContact CE1-CD1 4.49Å; F49-I197 HydrophobicContact CE1-CG1 3.8Å; F49-I197 HydrophobicContact CZ-CD1 4.43Å; F49-I197 HydrophobicContact CZ-CG1 3.88Å
50S83.8Confident91.1Very high20 Ų2032.5 Ų32.514%0.1416%0.163CC..  trans-74.4133.1162-85.60000110.8V12 L13 N14 Q55 V56V12-S50 WeakPolarHBondContact CG1-OG 3.13Å; L13-S50 PolarHBondContact O-N 2.75Å; N14-S50 WeakPolarHBondContact OD1-CB 3.42Å; N14-S50 PolarHBondContact OD1-OG 3.05Å; S50-Q55 WeakPolarHBondContact O-CB 3.41Å; S50-V56 PolarHBondContact O-N 2.99Å
51L87.9Confident91.1Very high22 Ų2230.3 Ų30.312%0.11515%0.148CC..BIsolated β-bridgetrans-109.3140.6-179.4-55.7178.7000110.3F49 V56 V58 S77 L82F49-L51 HydrophobicContact CB-CD2 4.47Å; L51-V56 WeakPolarHBondContact CA-O 3.4Å; L51-V56 HydrophobicContact CD2-CB 4.49Å; L51-V58 HydrophobicContact CD2-CG2 3.94Å; L51-S77 CarbonylContact C-O 3.54Å; L51-L82 HydrophobicContact CD1-CB 3.8Å; L51-L82 HydrophobicContact CD1-CD2 3.49Å; L51-L82 VanDerWaalsContact CD1-CD2 3.49Å; L51-L82 HydrophobicContact CD1-CG 4.28Å; L51-L82 HydrophobicContact CD2-CD2 4.38Å
52G82.9Confident91.2Very high13 Ų1330.1 Ų30.113%0.13415%0.147CC..SBendtrans161.4-175.3179.300000115.3D54 V56 R57G52-D54 VanDerWaalsContact C-N 3.34Å; G52-D54 PolarHBondContact O-N 3.49Å; G52-V56 PolarHBondContact N-O 2.88Å; G52-R57 VanDerWaalsContact O-CG 3.25Å; G52-R57 WeakPolarHBondContact O-CG 3.31Å; G52-R57 PolarHBondContact O-NE 3.02Å
53R78.9Confident91.1Very high190 Ų19030.1 Ų30.172%0.71715%0.147SC*.THydrogen-bonded Turntrans-64.2-38.9-178.7-178.5177-174.8-170.7-0.4113R119R53-R119 PolarHBondContact O-NH1 3.45Å
54D76.1Confident91Very high75 Ų7528.9 Ų28.940%0.40114%0.139SC..THydrogen-bonded Turntrans-114.526.6-175.9-44.3-47.6000110.8E17 G52 N278E17-D54 WeakPolarHBondContact OE1-CA 3.47Å; G52-D54 VanDerWaalsContact C-N 3.34Å; G52-D54 PolarHBondContact O-N 3.49Å; D54-N278 PolarHBondContact O-ND2 2.96Å
55Q84.9Confident90.9Very high42 Ų4227.6 Ų27.620%0.19614%0.137CC..SBendtrans-135.2-161.2-177.4-63.6-66.7-61.200109C16 S50 R119C16-Q55 CarbonylContact O-C 3.52Å; C16-Q55 WeakPolarHBondContact O-CA 3.47Å; S50-Q55 WeakPolarHBondContact O-CB 3.41Å; Q55-R119 PolarHBondContact O-NH1 3.44Å; Q55-R119 PolarHBondContact O-NH2 3.04Å
56V91.2Very high90.9Very high1 Ų136 Ų361%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-68.8138.7173.2178.70000110.1C16 G18 V20 F49 S50 L51 G52 V58 I200C16-V56 HydrophobicContact CB-CG2 3.63Å; C16-V56 WeakPolarHBondContact O-CG2 3.49Å; C16-V56 PolarHBondContact O-N 2.95Å; G18-V56 VanDerWaalsContact O-CA 3.3Å; G18-V56 WeakPolarHBondContact O-CA 3.42Å; V20-V56 HydrophobicContact CG2-CG1 3.99Å; F49-V56 HydrophobicContact CD1-CB 4.33Å; F49-V56 HydrophobicContact CD1-CG2 3.64Å; F49-V56 HydrophobicContact CE1-CG2 4.16Å; F49-V56 HydrophobicContact CG-CG2 4.46Å; S50-V56 PolarHBondContact O-N 2.99Å; L51-V56 WeakPolarHBondContact CA-O 3.4Å; L51-V56 HydrophobicContact CD2-CB 4.49Å; G52-V56 PolarHBondContact N-O 2.88Å; V56-V58 HydrophobicContact CG1-CG2 4.11Å; V56-I200 HydrophobicContact CG2-CD1 4.2Å
57R94.6Very high91Very high35 Ų3536.8 Ų36.813%0.13218%0.179CC..EExtended strand (participates in β ladder)trans-118.7143.7165.8-61.9177.6176.1-166.2-16.2109.5G18 D19 V20 G52 F73 N74G18-R57 PolarHBondContact O-N 3.37Å; D19-R57 WeakPolarHBondContact CA-O 3.25Å; D19-R57 WeakPolarHBondContact OD1-CB 3.26Å; V20-R57 PolarHBondContact N-O 3.47Å; G52-R57 VanDerWaalsContact O-CG 3.25Å; G52-R57 WeakPolarHBondContact O-CG 3.31Å; G52-R57 PolarHBondContact O-NE 3.02Å; R57-F73 HydrophobicContact CB-CB 3.9Å; R57-F73 HydrophobicContact CB-CD1 4.13Å; R57-F73 HydrophobicContact CB-CG 4.38Å; R57-F73 WeakPolarHBondContact CB-O 3.45Å; R57-N74 PolarHBondContact NH1-OD1 3.06Å
58V96.2Very high91.2Very high3 Ų337.8 Ų37.82%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-121.4132.6-173.2-176.70000110V20 F22 L46 L51 V56 F71 L82V20-V58 WeakPolarHBondContact O-CA 3.31Å; F22-V58 HydrophobicContact CD2-CG1 3.63Å; F22-V58 HydrophobicContact CE2-CG1 3.64Å; L46-V58 HydrophobicContact CD1-CG1 4.05Å; L46-V58 HydrophobicContact CD2-CG2 3.95Å; L51-V58 HydrophobicContact CD2-CG2 3.94Å; V56-V58 HydrophobicContact CG1-CG2 4.11Å; V58-F71 HydrophobicContact CG1-CE2 4.26Å; V58-L82 HydrophobicContact CB-CD1 4.48Å; V58-L82 HydrophobicContact CB-CD2 4.48Å; V58-L82 HydrophobicContact CG1-CD1 4.44Å; V58-L82 HydrophobicContact CG2-CD2 4.33Å
59G96.8Very high91.6Very high0 Ų039.2 Ų39.20%018%0.182CC..EExtended strand (participates in β ladder)trans-117.1154.4168.100000110.4V20 F22 F71V20-G59 PolarHBondContact O-N 2.81Å; F22-G59 PolarHBondContact N-O 3.05Å; G59-F71 WeakPolarHBondContact CA-O 3.39Å
60L98.3Very high92.1Very high1 Ų141.6 Ų41.61%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-137122.9173.9-168.6155.2000110.8F22 L24 L39 L42 Q62 E70 F71 L86 I89F22-L60 HydrophobicContact CB-CG 4.3Å; F22-L60 WeakPolarHBondContact O-CA 3.38Å; L24-L60 HydrophobicContact CB-CD2 4.34Å; L24-L60 HydrophobicContact CD2-CD2 4.41Å; L39-L60 HydrophobicContact CD2-CD1 4.4Å; L42-L60 HydrophobicContact CD1-CD1 3.92Å; L60-Q62 HydrophobicContact CD2-CG 3.84Å; L60-E70 HydrophobicContact CD2-CB 3.99Å; L60-E70 HydrophobicContact CD2-CG 3.66Å; L60-E70 PolarHBondContact O-N 3.11Å; L60-F71 HydrophobicContact CB-CD1 4.48Å; L60-F71 HydrophobicContact CB-CD2 4.34Å; L60-F71 HydrophobicContact CB-CE1 3.93Å; L60-F71 HydrophobicContact CB-CE2 3.75Å; L60-F71 HydrophobicContact CB-CZ 3.51Å; L60-F71 HydrophobicContact CD1-CZ 4.27Å; L60-F71 PolarHBondContact N-O 2.84Å; L60-F71 PolarHBondContact O-N 3.47Å; L60-L86 HydrophobicContact CD1-CD2 3.68Å; L60-I89 HydrophobicContact CD1-CD1 3.77Å; L60-I89 HydrophobicContact CD2-CD1 4.01Å; L60-I89 HydrophobicContact CG-CD1 4.47Å
61L98Very high92.7Very high0 Ų041.2 Ų41.20%019%0.189CC..EExtended strand (participates in β ladder)trans-118.1121.6178.5176.458.7000109.2L21 F22 L23 L24 P67 R68 L69 A101 M104 A105L21-L61 HydrophobicContact CD1-CB 4.18Å; F22-L61 PolarHBondContact O-N 2.83Å; L23-L61 WeakPolarHBondContact CA-O 3.25Å; L23-L61 HydrophobicContact CD1-CB 4.24Å; L23-L61 HydrophobicContact CD1-CD2 3.96Å; L23-L61 HydrophobicContact CD1-CG 3.92Å; L24-L61 PolarHBondContact N-O 3.15Å; L61-P67 HydrophobicContact CD1-CB 4.43Å; L61-R68 VanDerWaalsContact CD1-C 3.4Å; L61-R68 WeakPolarHBondContact CD1-O 3.4Å; L61-L69 HydrophobicContact CB-CD1 4.46Å; L61-L69 HydrophobicContact CD1-CB 4.24Å; L61-A101 HydrophobicContact CD2-CB 4.31Å; L61-A101 VanDerWaalsContact CD2-O 3.24Å; L61-A101 WeakPolarHBondContact CD2-O 3.15Å; L61-M104 HydrophobicContact CD1-SD 3.62Å; L61-M104 HydrophobicContact CD2-CB 4.38Å; L61-A105 HydrophobicContact CD2-CB 3.96Å
62Q97.9Very high93Very high0 Ų040.3 Ų40.30%019%0.185CC..EExtended strand (participates in β ladder)trans-89139.1176.7-71.3-165.288.800111.8L24 S26 H35 L60 P67 R68 E70 I89 R90 L92L24-Q62 HydrophobicContact CD2-CG 4.47Å; L24-Q62 CarbonylContact O-C 3.53Å; L24-Q62 WeakPolarHBondContact O-CA 3.43Å; S26-Q62 PolarHBondContact OG-OE1 3.49Å; H35-Q62 PolarHBondContact NE2-OE1 3.09Å; L60-Q62 HydrophobicContact CD2-CG 3.84Å; Q62-P67 VanDerWaalsContact O-CA 3.28Å; Q62-P67 WeakPolarHBondContact O-CA 3.35Å; Q62-R68 PolarHBondContact N-O 2.94Å; Q62-R68 PolarHBondContact O-N 3.17Å; Q62-E70 HydrophobicContact CG-CG 3.92Å; Q62-E70 PolarHBondContact NE2-OE1 2.97Å; Q62-I89 HydrophobicContact CG-CG2 4.46Å; Q62-R90 PolarHBondContact NE2-O 2.76Å; Q62-R90 VanDerWaalsContact NE2-O 3.09Å; Q62-R90 PolarHBondContact OE1-O 3.06Å; Q62-L92 HydrophobicContact CB-CD1 3.59Å; Q62-L92 HydrophobicContact CB-CG 3.95Å
63V97.4Very high93.6Very high0 Ų039.8 Ų39.80%018%0.179CC..EExtended strand (participates in β ladder)trans-92.6136.4169.6-173.90000109.6L23 L24 S26 S27 T96 A101L23-V63 HydrophobicContact CD1-CG2 3.56Å; L23-V63 HydrophobicContact CD2-CG2 4.43Å; L23-V63 HydrophobicContact CG-CG2 3.83Å; L24-V63 PolarHBondContact O-N 2.92Å; S26-V63 CarbonylContact C-O 3.59Å; S26-V63 VanDerWaalsContact CA-O 3.3Å; S26-V63 WeakPolarHBondContact CA-O 3.16Å; S26-V63 WeakPolarHBondContact CB-O 3.1Å; S26-V63 PolarHBondContact N-O 3.13Å; S27-V63 PolarHBondContact N-O 2.83Å; V63-T96 HydrophobicContact CG1-CG2 4.18Å; V63-A101 HydrophobicContact CG2-CB 3.9Å
64G94.6Very high94.1Very high0 Ų034.6 Ų34.60%017%0.166CC..SBendtrans-177.3-167.1176.800000108.8K66 D95 N97G64-K66 PolarHBondContact O-N 3.11Å; G64-K66 VanDerWaalsContact O-N 3.08Å; G64-D95 CarbonylContact C-O 3.56Å; G64-D95 WeakPolarHBondContact CA-O 3.39Å; G64-N97 WeakPolarHBondContact O-CB 3.48Å
65T94.3Very high94.9Very high59 Ų5939.3 Ų39.336%0.36218%0.178SC..SBendtrans-55.8-36.2-177.2-62.10000111.7G94 D95 N97T65-G94 WeakPolarHBondContact OG1-CA 3.34Å; T65-D95 WeakPolarHBondContact CA-O 3.38Å; T65-D95 PolarHBondContact N-O 2.88Å; T65-D95 PolarHBondContact OG1-N 2.89Å; T65-N97 PolarHBondContact O-ND2 2.94Å
66K95.6Very high95.4Very high175 Ų17538.6 Ų38.676%0.76118%0.175SC*.SBendtrans-126111.3168.9-67.1-176.3-179.8-179.30107.6G64 L92G64-K66 PolarHBondContact O-N 3.11Å; G64-K66 VanDerWaalsContact O-N 3.08Å; K66-L92 WeakPolarHBondContact O-CD1 3.38Å
67P96.6Very high95.3Very high20 Ų2042.1 Ų42.113%0.1320%0.2CC..  trans-54.6143.4177.1-25.533.8000111.5L61 Q62 D100 A101 M104L61-P67 HydrophobicContact CD1-CB 4.43Å; Q62-P67 VanDerWaalsContact O-CA 3.28Å; Q62-P67 WeakPolarHBondContact O-CA 3.35Å; P67-D100 HydrophobicContact CG-CB 3.9Å; P67-A101 HydrophobicContact CB-CB 3.72Å; P67-A101 HydrophobicContact CG-CB 3.74Å; P67-M104 HydrophobicContact CB-CE 4.19Å
68R96.7Very high95.1Very high111 Ų11144.2 Ų44.242%0.41922%0.216SC..EExtended strand (participates in β ladder)trans-136.1120.7-176.8-169.6173.773.7-167.2-0.6111.5L61 Q62 E70 L92L61-R68 VanDerWaalsContact CD1-C 3.4Å; L61-R68 WeakPolarHBondContact CD1-O 3.4Å; Q62-R68 PolarHBondContact N-O 2.94Å; Q62-R68 PolarHBondContact O-N 3.17Å; R68-E70 IonicContact CZ-OE1 2.85Å; R68-E70 IonicContact NE-OE1 3.11Å; R68-E70 PolarHBondContact NE-OE1 2.89Å; R68-E70 IonicContact NH2-OE1 2.71Å; R68-E70 PolarHBondContact NH2-OE1 3.44Å; R68-E70 IonicContact NH2-OE2 3.2Å; R68-E70 PolarHBondContact O-N 2.61Å; R68-L92 HydrophobicContact CB-CD1 3.95Å; R68-L92 HydrophobicContact CB-CD2 4.05Å; R68-L92 VanDerWaalsContact CZ-CD2 3.42Å
69L96.2Very high94.9Very high51 Ų5146.4 Ų46.427%0.26723%0.226SC..EExtended strand (participates in β ladder)trans-70.9111.9169.1-177.464.9000108.6L61 F71 V109L61-L69 HydrophobicContact CB-CD1 4.46Å; L61-L69 HydrophobicContact CD1-CB 4.24Å; L69-F71 WeakPolarHBondContact CD1-O 3.33Å; L69-V109 HydrophobicContact CD1-CG1 4.44Å; L69-V109 HydrophobicContact CD1-CG2 3.88Å; L69-V109 HydrophobicContact CD2-CG2 4.12Å
70E96.1Very high94.7Very high56 Ų5651.3 Ų51.326%0.26226%0.261SS..EExtended strand (participates in β ladder)trans-72.6-44.6174.9-68.5-56133.700110.6L60 Q62 R68 I89L60-E70 HydrophobicContact CD2-CB 3.99Å; L60-E70 HydrophobicContact CD2-CG 3.66Å; L60-E70 PolarHBondContact O-N 3.11Å; Q62-E70 HydrophobicContact CG-CG 3.92Å; Q62-E70 PolarHBondContact NE2-OE1 2.97Å; R68-E70 IonicContact CZ-OE1 2.85Å; R68-E70 IonicContact NE-OE1 3.11Å; R68-E70 PolarHBondContact NE-OE1 2.89Å; R68-E70 IonicContact NH2-OE1 2.71Å; R68-E70 PolarHBondContact NH2-OE1 3.44Å; R68-E70 IonicContact NH2-OE2 3.2Å; R68-E70 PolarHBondContact O-N 2.61Å; E70-I89 HydrophobicContact CB-CD1 4.4Å; E70-I89 HydrophobicContact CG-CD1 4.19Å; E70-I89 HydrophobicContact CG-CG1 4.22Å; E70-I89 HydrophobicContact CG-CG2 4.24Å
71F95.6Very high94.6Very high11 Ų1152.5 Ų52.55%0.04827%0.274CS..EExtended strand (participates in β ladder)trans-159.3142.1173.751.5-100.7000111.1V58 G59 L60 L69 R75 H76 L82 A85 L86 I89V58-F71 HydrophobicContact CG1-CE2 4.26Å; G59-F71 WeakPolarHBondContact CA-O 3.39Å; L60-F71 HydrophobicContact CB-CD1 4.48Å; L60-F71 HydrophobicContact CB-CD2 4.34Å; L60-F71 HydrophobicContact CB-CE1 3.93Å; L60-F71 HydrophobicContact CB-CE2 3.75Å; L60-F71 HydrophobicContact CB-CZ 3.51Å; L60-F71 HydrophobicContact CD1-CZ 4.27Å; L60-F71 PolarHBondContact N-O 2.84Å; L60-F71 PolarHBondContact O-N 3.47Å; L69-F71 WeakPolarHBondContact CD1-O 3.33Å; F71-R75 HydrophobicContact CB-CB 3.72Å; F71-R75 HydrophobicContact CB-CG 3.76Å; F71-H76 AromaticContact CD1-CD2 3.87Å; F71-H76 AromaticContact CD1-NE2 3.72Å; F71-H76 AromaticContact CD2-CD2 3.72Å; F71-H76 AromaticContact CG-CD2 3.59Å; F71-H76 AromaticContact CG-NE2 3.77Å; F71-L82 HydrophobicContact CE2-CD1 3.85Å; F71-L82 HydrophobicContact CZ-CD1 3.67Å; F71-A85 HydrophobicContact CD1-CB 4.31Å; F71-A85 HydrophobicContact CE1-CB 4.05Å; F71-L86 HydrophobicContact CZ-CD2 4.3Å; F71-I89 HydrophobicContact CE1-CD1 4.1Å
72G93.9Very high94.5Very high3 Ų352.5 Ų52.53%0.03127%0.274CS..  trans-87.6178.6170.700000112.9N74 R75G72-N74 PolarHBondContact O-N 2.99Å; G72-N74 VanDerWaalsContact O-N 3.07Å; G72-R75 WeakPolarHBondContact O-CB 3.3Å; G72-R75 PolarHBondContact O-N 2.89Å; G72-R75 VanDerWaalsContact O-N 3.15Å
73F94.9Very high94.4Very high2 Ų254 Ų541%0.00928%0.28CS..THydrogen-bonded Turntrans-59.8-23.4-173.3-65.4-54.5000115.1D19 L21 R57 V109 L110 A118D19-F73 HydrophobicContact CB-CD1 4Å; D19-F73 HydrophobicContact CB-CD2 4.24Å; D19-F73 HydrophobicContact CB-CE1 3.72Å; D19-F73 HydrophobicContact CB-CE2 3.93Å; D19-F73 HydrophobicContact CB-CG 4.27Å; D19-F73 HydrophobicContact CB-CZ 3.67Å; L21-F73 HydrophobicContact CB-CE1 4.3Å; L21-F73 HydrophobicContact CB-CZ 3.94Å; R57-F73 HydrophobicContact CB-CB 3.9Å; R57-F73 HydrophobicContact CB-CD1 4.13Å; R57-F73 HydrophobicContact CB-CG 4.38Å; R57-F73 WeakPolarHBondContact CB-O 3.45Å; F73-V109 HydrophobicContact CD2-CG1 4.29Å; F73-V109 HydrophobicContact CE2-CG1 3.85Å; F73-V109 WeakPolarHBondContact CE2-O 3.27Å; F73-V109 HydrophobicContact CZ-CG1 4.22Å; F73-L110 HydrophobicContact CE2-CD2 4.47Å; F73-L110 HydrophobicContact CZ-CD2 4.15Å; F73-A118 HydrophobicContact CD2-CB 4.3Å; F73-A118 HydrophobicContact CE2-CB 3.88Å
74N89.6Confident94.4Very high82 Ų8255.5 Ų55.544%0.43930%0.296SS..THydrogen-bonded Turntrans-90.4-5.7-176.3-65.9-43.1000113.8R57 G72 S115R57-N74 PolarHBondContact NH1-OD1 3.06Å; G72-N74 PolarHBondContact O-N 2.99Å; G72-N74 VanDerWaalsContact O-N 3.07Å; N74-S115 PolarHBondContact ND2-O 3.26Å
75R93.9Very high94.5Very high173 Ų17356.5 Ų56.565%0.65330%0.304SS*.SBendtrans-78.8-39.4-169-173.266.4-179105-3.5114.1F71 G72F71-R75 HydrophobicContact CB-CB 3.72Å; F71-R75 HydrophobicContact CB-CG 3.76Å; G72-R75 WeakPolarHBondContact O-CB 3.3Å; G72-R75 PolarHBondContact O-N 2.89Å; G72-R75 VanDerWaalsContact O-N 3.15Å
76H94Very high94.6Very high27 Ų2753.9 Ų53.913%0.12529%0.288CS..  trans-125.9114.6-172.9-61.5-66.8000110.6F71 G81 L82 A85F71-H76 AromaticContact CD1-CD2 3.87Å; F71-H76 AromaticContact CD1-NE2 3.72Å; F71-H76 AromaticContact CD2-CD2 3.72Å; F71-H76 AromaticContact CG-CD2 3.59Å; F71-H76 AromaticContact CG-NE2 3.77Å; H76-G81 PolarHBondContact ND1-O 2.88Å; H76-L82 HydrophobicContact CB-CB 4.11Å; H76-L82 HydrophobicContact CB-CD1 4.35Å; H76-A85 VanDerWaalsContact CE1-CB 3.49Å; H76-A85 WeakPolarHBondContact CE1-CB 3.2Å; H76-A85 VanDerWaalsContact NE2-CB 3.33Å; H76-A85 WeakPolarHBondContact NE2-CB 3.46Å
77S89.5Confident94.6Very high76 Ų7650.6 Ų50.653%0.53128%0.283SS..  trans-113.24.6178.255.80000113.2L51L51-S77 CarbonylContact C-O 3.54Å
78T90.6Very high94.4Very high79 Ų7955.6 Ų55.649%0.48531%0.309SS..SBendtrans-135.7148.9-179.867.40000110.8S80 G81 L82T78-S80 VanDerWaalsContact C-N 3.35Å; T78-S80 PolarHBondContact O-N 2.77Å; T78-G81 PolarHBondContact O-N 2.84Å; T78-G81 PolarHBondContact OG1-N 3.33Å; T78-L82 PolarHBondContact O-N 2.89Å
79Q91.4Very high94.4Very high48 Ų4851.1 Ų51.122%0.22429%0.293CS..Hα-helixtrans-60.8-44.9-178.8-16160.317.300111.9L46 L47 G81 L82 Q83L46-Q79 PolarHBondContact O-NE2 2.88Å; L47-Q79 VanDerWaalsContact CA-NE2 3.29Å; L47-Q79 HydrophobicContact CD2-CG 4.3Å; Q79-G81 VanDerWaalsContact C-N 3.3Å; Q79-G81 PolarHBondContact O-N 3.44Å; Q79-L82 PolarHBondContact O-N 2.92Å; Q79-Q83 HydrophobicContact CG-CG 4.01Å; Q79-Q83 VanDerWaalsContact O-CB 3.28Å; Q79-Q83 WeakPolarHBondContact O-CB 3.29Å; Q79-Q83 WeakPolarHBondContact O-CG 3.43Å; Q79-Q83 PolarHBondContact O-N 2.89Å
80S93.2Very high94.4Very high103 Ų10358.2 Ų58.272%0.7232%0.316SS*.Hα-helixtrans-56.9-43.7176.7179.80000112.2T78 G84T78-S80 VanDerWaalsContact C-N 3.35Å; T78-S80 PolarHBondContact O-N 2.77Å; S80-G84 PolarHBondContact O-N 2.86Å
81G95.6Very high94.3Very high27 Ų2757.3 Ų57.328%0.27832%0.315SS..Hα-helixtrans-65.7-44.5178.500000113.2H76 T78 Q79 A85H76-G81 PolarHBondContact ND1-O 2.88Å; T78-G81 PolarHBondContact O-N 2.84Å; T78-G81 PolarHBondContact OG1-N 3.33Å; Q79-G81 VanDerWaalsContact C-N 3.3Å; Q79-G81 PolarHBondContact O-N 3.44Å; G81-A85 PolarHBondContact O-N 3.19Å
82L96.8Very high94.2Very high0 Ų058.9 Ų58.90%032%0.323CS..Hα-helixtrans-66.2-46.3178.5178.464.2000111.6L46 L51 V58 F71 H76 T78 Q79 G84 A85 L86L46-L82 HydrophobicContact CB-CD2 4.23Å; L46-L82 HydrophobicContact CD1-CD2 4.06Å; L51-L82 HydrophobicContact CD1-CB 3.8Å; L51-L82 HydrophobicContact CD1-CD2 3.49Å; L51-L82 VanDerWaalsContact CD1-CD2 3.49Å; L51-L82 HydrophobicContact CD1-CG 4.28Å; L51-L82 HydrophobicContact CD2-CD2 4.38Å; V58-L82 HydrophobicContact CB-CD1 4.48Å; V58-L82 HydrophobicContact CB-CD2 4.48Å; V58-L82 HydrophobicContact CG1-CD1 4.44Å; V58-L82 HydrophobicContact CG2-CD2 4.33Å; F71-L82 HydrophobicContact CE2-CD1 3.85Å; F71-L82 HydrophobicContact CZ-CD1 3.67Å; H76-L82 HydrophobicContact CB-CB 4.11Å; H76-L82 HydrophobicContact CB-CD1 4.35Å; T78-L82 PolarHBondContact O-N 2.89Å; Q79-L82 PolarHBondContact O-N 2.92Å; L82-G84 PolarHBondContact O-N 3.32Å; L82-A85 WeakPolarHBondContact O-CB 3.33Å; L82-A85 PolarHBondContact O-N 2.98Å; L82-A85 VanDerWaalsContact O-N 3.1Å; L82-L86 HydrophobicContact CD1-CD1 4.34Å; L82-L86 HydrophobicContact CD1-CG 4.37Å; L82-L86 HydrophobicContact CG-CD1 4.08Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 2.84Å
83Q96.9Very high94.1Very high31 Ų3166 Ų6615%0.14535%0.349CS..Hα-helixtrans-64.4-41.1-179.8-66.3-63.4-25.800111.6S43 L47 Q79 A85 L86 T87S43-Q83 VanDerWaalsContact CB-OE1 3.23Å; S43-Q83 PolarHBondContact O-NE2 2.82Å; S43-Q83 VanDerWaalsContact O-NE2 3.12Å; S43-Q83 PolarHBondContact OG-OE1 3.35Å; L47-Q83 HydrophobicContact CD2-CG 4.34Å; Q79-Q83 HydrophobicContact CG-CG 4.01Å; Q79-Q83 VanDerWaalsContact O-CB 3.28Å; Q79-Q83 WeakPolarHBondContact O-CB 3.29Å; Q79-Q83 WeakPolarHBondContact O-CG 3.43Å; Q79-Q83 PolarHBondContact O-N 2.89Å; Q83-A85 VanDerWaalsContact C-N 3.3Å; Q83-A85 PolarHBondContact O-N 3.16Å; Q83-L86 PolarHBondContact O-N 3.01Å; Q83-T87 WeakPolarHBondContact O-CG2 3.33Å; Q83-T87 PolarHBondContact O-N 2.75Å; Q83-T87 PolarHBondContact O-OG1 2.84Å
84G96.6Very high93.9Very high32 Ų3267.6 Ų67.633%0.3337%0.367SS..Hα-helixtrans-61.5-35.6171.200000113.1S80 L82 T87 N88S80-G84 PolarHBondContact O-N 2.86Å; L82-G84 PolarHBondContact O-N 3.32Å; G84-T87 PolarHBondContact O-OG1 2.88Å; G84-N88 PolarHBondContact O-ND2 2.86Å
85A96.5Very high94Very high21 Ų2169 Ų6917%0.17437%0.374CS..Hα-helixtrans-69.2-50175.700000111.9F71 H76 G81 L82 Q83 T87 N88 I89F71-A85 HydrophobicContact CD1-CB 4.31Å; F71-A85 HydrophobicContact CE1-CB 4.05Å; H76-A85 VanDerWaalsContact CE1-CB 3.49Å; H76-A85 WeakPolarHBondContact CE1-CB 3.2Å; H76-A85 VanDerWaalsContact NE2-CB 3.33Å; H76-A85 WeakPolarHBondContact NE2-CB 3.46Å; G81-A85 PolarHBondContact O-N 3.19Å; L82-A85 WeakPolarHBondContact O-CB 3.33Å; L82-A85 PolarHBondContact O-N 2.98Å; L82-A85 VanDerWaalsContact O-N 3.1Å; Q83-A85 VanDerWaalsContact C-N 3.3Å; Q83-A85 PolarHBondContact O-N 3.16Å; A85-T87 VanDerWaalsContact C-N 3.27Å; A85-T87 PolarHBondContact O-N 2.8Å; A85-N88 PolarHBondContact O-N 2.81Å; A85-I89 WeakPolarHBondContact O-CG1 3.42Å; A85-I89 PolarHBondContact O-N 2.86Å
86L97.2Very high94Very high3 Ų362 Ų622%0.01635%0.351CS..Hα-helixtrans-56.3-40.5-178.2-71.2168.8000112.5L39 L42 L46 L60 F71 L82 Q83 N88 I89L39-L86 HydrophobicContact CD2-CD2 4.17Å; L42-L86 HydrophobicContact CB-CD2 4.5Å; L46-L86 HydrophobicContact CD1-CD1 4.33Å; L60-L86 HydrophobicContact CD1-CD2 3.68Å; F71-L86 HydrophobicContact CZ-CD2 4.3Å; L82-L86 HydrophobicContact CD1-CD1 4.34Å; L82-L86 HydrophobicContact CD1-CG 4.37Å; L82-L86 HydrophobicContact CG-CD1 4.08Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 2.84Å; Q83-L86 PolarHBondContact O-N 3.01Å; L86-N88 VanDerWaalsContact C-N 3.25Å; L86-N88 PolarHBondContact O-N 2.86Å; L86-I89 HydrophobicContact CD2-CD1 4.18Å; L86-I89 PolarHBondContact O-N 2.82Å
87T93.9Very high94Very high106 Ų10663.2 Ų63.265%0.6536%0.359SS*.Hα-helixtrans-67.1-19.5178.447.30000114.9Q83 G84 A85Q83-T87 WeakPolarHBondContact O-CG2 3.33Å; Q83-T87 PolarHBondContact O-N 2.75Å; Q83-T87 PolarHBondContact O-OG1 2.84Å; G84-T87 PolarHBondContact O-OG1 2.88Å; A85-T87 VanDerWaalsContact C-N 3.27Å; A85-T87 PolarHBondContact O-N 2.8Å
88N93.4Very high94.3Very high126 Ų12659.7 Ų59.767%0.67433%0.334SS*.Hα-helixtrans-102.9-4.2-176.4-75-60.5000113.9G84 A85 L86 R90G84-N88 PolarHBondContact O-ND2 2.86Å; A85-N88 PolarHBondContact O-N 2.81Å; L86-N88 VanDerWaalsContact C-N 3.25Å; L86-N88 PolarHBondContact O-N 2.86Å; N88-R90 PolarHBondContact O-N 2.77Å
89I96.4Very high94.6Very high17 Ų1758.6 Ų58.69%0.08733%0.327CS..  trans-67131.8-179.7-67.3169.4000110L39 L60 Q62 E70 F71 A85 L86L39-I89 HydrophobicContact CD1-CB 3.94Å; L39-I89 HydrophobicContact CD1-CG2 4.25Å; L39-I89 HydrophobicContact CD2-CB 4.24Å; L39-I89 HydrophobicContact CD2-CD1 3.92Å; L39-I89 HydrophobicContact CD2-CG2 4.44Å; L60-I89 HydrophobicContact CD1-CD1 3.77Å; L60-I89 HydrophobicContact CD2-CD1 4.01Å; L60-I89 HydrophobicContact CG-CD1 4.47Å; Q62-I89 HydrophobicContact CG-CG2 4.46Å; E70-I89 HydrophobicContact CB-CD1 4.4Å; E70-I89 HydrophobicContact CG-CD1 4.19Å; E70-I89 HydrophobicContact CG-CG1 4.22Å; E70-I89 HydrophobicContact CG-CG2 4.24Å; F71-I89 HydrophobicContact CE1-CD1 4.1Å; A85-I89 WeakPolarHBondContact O-CG1 3.42Å; A85-I89 PolarHBondContact O-N 2.86Å; L86-I89 HydrophobicContact CD2-CD1 4.18Å; L86-I89 PolarHBondContact O-N 2.82Å
90R95.3Very high94.8Very high199 Ų19960.5 Ų60.575%0.75134%0.339SS*.  trans-107.5140.8175.3-63-173.8-179-166.9-0.1110.5Q62 N88Q62-R90 PolarHBondContact NE2-O 2.76Å; Q62-R90 VanDerWaalsContact NE2-O 3.09Å; Q62-R90 PolarHBondContact OE1-O 3.06Å; N88-R90 PolarHBondContact O-N 2.77Å
91P94.7Very high95Very high37 Ų3755.6 Ų55.624%0.2430%0.304CS..  trans-64.3141.4178.226.4-33.2000110.7H35 R93H35-P91 HydrophobicContact CB-CB 4.43Å; P91-R93 HydrophobicContact CB-CG 4.47Å
92L94.6Very high95.1Very high44 Ų4454.4 Ų54.423%0.2329%0.291CS..  trans-71.5-39.6178.3-63.6-178.2000112.4Q62 K66 R68Q62-L92 HydrophobicContact CB-CD1 3.59Å; Q62-L92 HydrophobicContact CB-CG 3.95Å; K66-L92 WeakPolarHBondContact O-CD1 3.38Å; R68-L92 HydrophobicContact CB-CD1 3.95Å; R68-L92 HydrophobicContact CB-CD2 4.05Å; R68-L92 VanDerWaalsContact CZ-CD2 3.42Å
93R90.2Very high95.1Very high152 Ų15259.8 Ų59.857%0.57432%0.315SS*.  trans62.3-179.2-170.1-52.5-179.4172.3-169.1-4.1112.5S26 S32 P91S26-R93 WeakPolarHBondContact O-CA 3.42Å; S26-R93 PolarHBondContact O-N 2.94Å; S32-R93 PolarHBondContact OG-NH2 3.25Å; P91-R93 HydrophobicContact CB-CG 4.47Å
94G91.9Very high95.1Very high37 Ų3760.1 Ų60.138%0.38132%0.317SS..SBendtrans92-153.4178.300000113.5G28 T65G28-G94 VanDerWaalsContact CA-O 3.32Å; G28-G94 WeakPolarHBondContact CA-O 3.19Å; G28-G94 PolarHBondContact N-O 3.05Å; T65-G94 WeakPolarHBondContact OG1-CA 3.34Å
95D91.9Very high95.1Very high110 Ų11058.6 Ų58.659%0.58830%0.301SS*.SBendtrans-72.9152.8-178.1-60-45.2000112.1G64 T65 N97G64-D95 CarbonylContact C-O 3.56Å; G64-D95 WeakPolarHBondContact CA-O 3.39Å; T65-D95 WeakPolarHBondContact CA-O 3.38Å; T65-D95 PolarHBondContact N-O 2.88Å; T65-D95 PolarHBondContact OG1-N 2.89Å; D95-N97 PolarHBondContact O-N 3.03Å
96T93Very high95Very high28 Ų2859.8 Ų59.817%0.17230%0.302CS..  trans-87.2107178-45.30000110.3S27 V63S27-T96 WeakPolarHBondContact CB-OG1 3.06Å; S27-T96 PolarHBondContact OG-OG1 3.11Å; S27-T96 VanDerWaalsContact OG-OG1 3.06Å; V63-T96 HydrophobicContact CG1-CG2 4.18Å
97N95.2Very high94.8Very high52 Ų5263.6 Ų63.628%0.27832%0.32SS..  trans-115.763.6178-70.9-31000112.3G64 T65 D95 V99 D100 A101G64-N97 WeakPolarHBondContact O-CB 3.48Å; T65-N97 PolarHBondContact O-ND2 2.94Å; D95-N97 PolarHBondContact O-N 3.03Å; N97-V99 VanDerWaalsContact C-N 3.35Å; N97-V99 PolarHBondContact O-N 3.46Å; N97-D100 HydrophobicContact CB-CB 4.47Å; N97-D100 PolarHBondContact O-N 3.04Å; N97-A101 PolarHBondContact O-N 2.81Å
98T95.6Very high94.6Very high1 Ų165.9 Ų65.91%0.00632%0.317CS..Hα-helixtrans-64.1-36.8-178.7-46.40000112.6L23 D100 A101 L102 W128 P135 V138L23-T98 HydrophobicContact CD2-CG2 4.2Å; T98-D100 PolarHBondContact O-N 3.43Å; T98-A101 CarbonylContact O-C 3.44Å; T98-A101 WeakPolarHBondContact O-CB 3.48Å; T98-A101 PolarHBondContact O-N 3.02Å; T98-A101 VanDerWaalsContact O-N 3.13Å; T98-L102 HydrophobicContact CG2-CD1 4.2Å; T98-L102 HydrophobicContact CG2-CG 4.31Å; T98-L102 WeakPolarHBondContact O-CG 3.48Å; T98-L102 PolarHBondContact O-N 2.84Å; T98-W128 HydrophobicContact CG2-CH2 4.18Å; T98-W128 HydrophobicContact CG2-CZ2 3.57Å; T98-P135 VanDerWaalsContact CB-O 3.27Å; T98-P135 WeakPolarHBondContact CB-O 3.18Å; T98-P135 PolarHBondContact OG1-O 3.35Å; T98-V138 HydrophobicContact CG2-CG1 3.86Å
99V96Very high94.7Very high56 Ų5660 Ų6034%0.33929%0.285SS..Hα-helixtrans-61-44.6-179.5-179.90000111.6N97 A101 L102 K103 D137 P141N97-V99 VanDerWaalsContact C-N 3.35Å; N97-V99 PolarHBondContact O-N 3.46Å; V99-A101 VanDerWaalsContact C-N 3.3Å; V99-A101 PolarHBondContact O-N 2.81Å; V99-L102 PolarHBondContact O-N 3.08Å; V99-K103 PolarHBondContact O-N 2.72Å; V99-D137 WeakPolarHBondContact CG2-O 3.39Å; V99-P141 HydrophobicContact CG1-CG 4.34Å
100D96.7Very high94.7Very high89 Ų8959.1 Ų59.148%0.47628%0.281SS..Hα-helixtrans-66-35.2175.6-76.7-15.3000111.8P67 N97 T98 K103 M104P67-D100 HydrophobicContact CG-CB 3.9Å; N97-D100 HydrophobicContact CB-CB 4.47Å; N97-D100 PolarHBondContact O-N 3.04Å; T98-D100 PolarHBondContact O-N 3.43Å; D100-K103 PolarHBondContact O-N 3.31Å; D100-M104 PolarHBondContact O-N 3.42Å
101A97.3Very high94.5Very high0 Ų056.4 Ų56.40%027%0.271CS..Hα-helixtrans-66.5-41.5175.400000111.2L23 L61 V63 P67 N97 T98 V99 K103 M104 A105L23-A101 HydrophobicContact CD1-CB 3.78Å; L61-A101 HydrophobicContact CD2-CB 4.31Å; L61-A101 VanDerWaalsContact CD2-O 3.24Å; L61-A101 WeakPolarHBondContact CD2-O 3.15Å; V63-A101 HydrophobicContact CG2-CB 3.9Å; P67-A101 HydrophobicContact CB-CB 3.72Å; P67-A101 HydrophobicContact CG-CB 3.74Å; N97-A101 PolarHBondContact O-N 2.81Å; T98-A101 CarbonylContact O-C 3.44Å; T98-A101 WeakPolarHBondContact O-CB 3.48Å; T98-A101 PolarHBondContact O-N 3.02Å; T98-A101 VanDerWaalsContact O-N 3.13Å; V99-A101 VanDerWaalsContact C-N 3.3Å; V99-A101 PolarHBondContact O-N 2.81Å; A101-K103 VanDerWaalsContact C-N 3.33Å; A101-K103 PolarHBondContact O-N 3.4Å; A101-M104 PolarHBondContact O-N 3.34Å; A101-A105 WeakPolarHBondContact O-CB 3.4Å; A101-A105 PolarHBondContact O-N 3.09Å
102L97.9Very high94.1Very high1 Ų157 Ų571%0.00527%0.274CS..Hα-helixtrans-64.9-37.5175.2-69.3171.5000111.9L23 T98 V99 A105 K106 L126 V138 P141 M142 L145L23-L102 HydrophobicContact CD2-CD2 3.67Å; L23-L102 HydrophobicContact CD2-CG 4.26Å; T98-L102 HydrophobicContact CG2-CD1 4.2Å; T98-L102 HydrophobicContact CG2-CG 4.31Å; T98-L102 WeakPolarHBondContact O-CG 3.48Å; T98-L102 PolarHBondContact O-N 2.84Å; V99-L102 PolarHBondContact O-N 3.08Å; L102-A105 PolarHBondContact O-N 2.93Å; L102-K106 WeakPolarHBondContact O-CB 3.47Å; L102-K106 PolarHBondContact O-N 2.9Å; L102-L126 HydrophobicContact CD2-CD2 3.92Å; L102-V138 HydrophobicContact CD1-CB 3.99Å; L102-V138 HydrophobicContact CD1-CG1 3.83Å; L102-P141 HydrophobicContact CB-CB 4.08Å; L102-P141 HydrophobicContact CD1-CB 4.02Å; L102-M142 HydrophobicContact CD1-CE 3.9Å; L102-M142 HydrophobicContact CD1-CG 4Å; L102-M142 HydrophobicContact CD1-SD 4.13Å; L102-M142 HydrophobicContact CD2-CE 3.48Å; L102-M142 VanDerWaalsContact CD2-CE 3.48Å; L102-M142 HydrophobicContact CD2-SD 3.63Å; L102-M142 HydrophobicContact CG-CE 4.3Å; L102-L145 HydrophobicContact CD2-CD1 4.08Å
103K96.5Very high93.3Very high114 Ų11458.5 Ų58.550%0.49630%0.301SS..Hα-helixtrans-60.8-47.2172.3-172.8178.3-180179.70111.5V99 D100 A101 A105 K106 E107V99-K103 PolarHBondContact O-N 2.72Å; D100-K103 PolarHBondContact O-N 3.31Å; A101-K103 VanDerWaalsContact C-N 3.33Å; A101-K103 PolarHBondContact O-N 3.4Å; K103-A105 PolarHBondContact O-N 3.13Å; K103-K106 PolarHBondContact O-N 3.45Å; K103-E107 WeakPolarHBondContact CE-OE1 3.47Å; K103-E107 HydrophobicContact CG-CG 4.32Å; K103-E107 WeakPolarHBondContact O-CB 3.35Å; K103-E107 WeakPolarHBondContact O-CG 3.45Å; K103-E107 PolarHBondContact O-N 2.96Å
104M95.7Very high92.9Very high37 Ų3753.7 Ų53.718%0.18229%0.288CS..Hα-helixtrans-61.9-42.9175.5-173.6-177.5-61.700111.9L61 P67 D100 A101 W108 V109L61-M104 HydrophobicContact CD1-SD 3.62Å; L61-M104 HydrophobicContact CD2-CB 4.38Å; P67-M104 HydrophobicContact CB-CE 4.19Å; D100-M104 PolarHBondContact O-N 3.42Å; A101-M104 PolarHBondContact O-N 3.34Å; M104-W108 HydrophobicContact CE-CZ3 4.21Å; M104-W108 HydrophobicContact CG-CD2 4.29Å; M104-W108 HydrophobicContact CG-CE3 3.65Å; M104-W108 HydrophobicContact CG-CZ3 4.1Å; M104-W108 WeakPolarHBondContact O-CB 3.25Å; M104-W108 PolarHBondContact O-N 3.11Å; M104-W108 VanDerWaalsContact O-N 3.08Å; M104-W108 HydrophobicContact SD-CE3 4.32Å; M104-W108 HydrophobicContact SD-CZ3 4.36Å; M104-V109 PolarHBondContact O-N 3.12Å
105A96.9Very high92.2Very high0 Ų056.7 Ų56.70%030%0.303CS..Iπ-helixtrans-58.2-51.2176.200000110.6L21 L61 A101 L102 K103 V109 L110L21-A105 HydrophobicContact CD2-CB 3.72Å; L61-A105 HydrophobicContact CD2-CB 3.96Å; A101-A105 WeakPolarHBondContact O-CB 3.4Å; A101-A105 PolarHBondContact O-N 3.09Å; L102-A105 PolarHBondContact O-N 2.93Å; K103-A105 PolarHBondContact O-N 3.13Å; A105-V109 PolarHBondContact O-N 3.02Å; A105-L110 HydrophobicContact CB-CD1 4.18Å; A105-L110 WeakPolarHBondContact O-CB 3.49Å; A105-L110 PolarHBondContact O-N 3.08Å
106K95.1Very high91.5Very high46 Ų4654.8 Ų54.820%0.229%0.293CS..Iπ-helixtrans-63.7-52-179.7-173.3-176.7-177.3-168.30112.6L102 K103 R111 E144 L145 E148L102-K106 WeakPolarHBondContact O-CB 3.47Å; L102-K106 PolarHBondContact O-N 2.9Å; K103-K106 PolarHBondContact O-N 3.45Å; K106-R111 WeakPolarHBondContact O-CB 3.16Å; K106-E144 IonicContact NZ-OE2 2.99Å; K106-E144 PolarHBondContact NZ-OE2 3.03Å; K106-L145 HydrophobicContact CB-CD2 3.71Å; K106-L145 HydrophobicContact CB-CG 4.35Å; K106-L145 HydrophobicContact CG-CD2 3.85Å; K106-E148 WeakPolarHBondContact CE-OE1 3.45Å; K106-E148 IonicContact NZ-OE1 3.21Å; K106-E148 PolarHBondContact NZ-OE1 2.93Å
107E92.9Very high91.2Very high83 Ų8353.7 Ų53.739%0.38829%0.288SS..Iπ-helixtrans-76.4-30-168.8-69.6-179.2179.300113K103 R111K103-E107 WeakPolarHBondContact CE-OE1 3.47Å; K103-E107 HydrophobicContact CG-CG 4.32Å; K103-E107 WeakPolarHBondContact O-CB 3.35Å; K103-E107 WeakPolarHBondContact O-CG 3.45Å; K103-E107 PolarHBondContact O-N 2.96Å; E107-R111 WeakPolarHBondContact O-CB 3.38Å; E107-R111 WeakPolarHBondContact O-CD 3.49Å
108W90.1Very high91Very high154 Ų15451.4 Ų51.458%0.58328%0.276SS*.Iπ-helixtrans-119.2-47.7-170.5-59.8-10.8000114.1M104 T114M104-W108 HydrophobicContact CE-CZ3 4.21Å; M104-W108 HydrophobicContact CG-CD2 4.29Å; M104-W108 HydrophobicContact CG-CE3 3.65Å; M104-W108 HydrophobicContact CG-CZ3 4.1Å; M104-W108 WeakPolarHBondContact O-CB 3.25Å; M104-W108 PolarHBondContact O-N 3.11Å; M104-W108 VanDerWaalsContact O-N 3.08Å; M104-W108 HydrophobicContact SD-CE3 4.32Å; M104-W108 HydrophobicContact SD-CZ3 4.36Å; W108-T114 PolarHBondContact O-OG1 3.01Å
109V94.8Very high90.7Very high2 Ų252.8 Ų52.81%0.01228%0.281CS..Iπ-helixtrans-89.9-49.4-167.7-170.50000111.6L21 L69 F73 M104 A105 R111 G117 A118L21-V109 HydrophobicContact CD1-CG1 3.89Å; L21-V109 HydrophobicContact CD2-CB 4.07Å; L21-V109 HydrophobicContact CD2-CG1 3.9Å; L21-V109 HydrophobicContact CG-CG1 4.44Å; L69-V109 HydrophobicContact CD1-CG1 4.44Å; L69-V109 HydrophobicContact CD1-CG2 3.88Å; L69-V109 HydrophobicContact CD2-CG2 4.12Å; F73-V109 HydrophobicContact CD2-CG1 4.29Å; F73-V109 HydrophobicContact CE2-CG1 3.85Å; F73-V109 WeakPolarHBondContact CE2-O 3.27Å; F73-V109 HydrophobicContact CZ-CG1 4.22Å; M104-V109 PolarHBondContact O-N 3.12Å; A105-V109 PolarHBondContact O-N 3.02Å; V109-R111 VanDerWaalsContact C-N 3.3Å; V109-G117 CarbonylContact O-C 3.52Å; V109-G117 VanDerWaalsContact O-C 3.3Å; V109-G117 VanDerWaalsContact O-CA 3.24Å; V109-G117 WeakPolarHBondContact O-CA 3.21Å; V109-A118 PolarHBondContact O-N 2.82Å
110L95.7Very high90.1Very high0 Ų058.1 Ų58.10%030%0.302CS..SBendtrans-83.5-8.9179.3-67.5168.1000112.6L21 F73 A105 P112 A118 R124 L126 L145 V150L21-L110 HydrophobicContact CB-CD2 3.98Å; L21-L110 HydrophobicContact CD2-CD1 3.96Å; L21-L110 HydrophobicContact CD2-CD2 4.16Å; L21-L110 HydrophobicContact CD2-CG 3.77Å; F73-L110 HydrophobicContact CE2-CD2 4.47Å; F73-L110 HydrophobicContact CZ-CD2 4.15Å; A105-L110 HydrophobicContact CB-CD1 4.18Å; A105-L110 WeakPolarHBondContact O-CB 3.49Å; A105-L110 PolarHBondContact O-N 3.08Å; L110-P112 WeakPolarHBondContact O-CD 3.33Å; L110-A118 WeakPolarHBondContact O-CB 3.47Å; L110-R124 HydrophobicContact CD2-CB 4.32Å; L110-R124 WeakPolarHBondContact O-CD 3.46Å; L110-R124 PolarHBondContact O-NH1 2.76Å; L110-L126 HydrophobicContact CD1-CB 4.5Å; L110-L145 HydrophobicContact CD1-CD2 3.7Å; L110-V150 HydrophobicContact CB-CG2 4.42Å; L110-V150 HydrophobicContact CD1-CG1 4.02Å; L110-V150 HydrophobicContact CD1-CG2 4.26Å; L110-V150 HydrophobicContact CD2-CG1 4.39Å
111R92Very high89Confident142 Ų14255.2 Ų55.254%0.53629%0.293SS..SBendtrans-75.8125.3177.9-171.8174.5-179.7173.62.3111K106 E107 V109 T114 G117 A118K106-R111 WeakPolarHBondContact O-CB 3.16Å; E107-R111 WeakPolarHBondContact O-CB 3.38Å; E107-R111 WeakPolarHBondContact O-CD 3.49Å; V109-R111 VanDerWaalsContact C-N 3.3Å; R111-T114 HydrophobicContact CB-CG2 4.29Å; R111-T114 HydrophobicContact CG-CG2 4.26Å; R111-T114 PolarHBondContact O-OG1 3.49Å; R111-G117 VanDerWaalsContact O-CA 3.3Å; R111-G117 WeakPolarHBondContact O-CA 3.47Å; R111-A118 PolarHBondContact O-N 2.81Å
112P86.6Confident88.3Confident48 Ų4856.8 Ų56.831%0.31230%0.302SS..THydrogen-bonded Turntrans-65.2145.7171.6-22.635.2000113.2L110 A118 E120L110-P112 WeakPolarHBondContact O-CD 3.33Å; P112-A118 VanDerWaalsContact CA-O 3.3Å; P112-A118 WeakPolarHBondContact CA-O 3.45Å; P112-E120 HydrophobicContact CB-CB 4.11Å; P112-E120 HydrophobicContact CB-CG 4.35Å
113G76.8Confident87.9Confident77 Ų7757.1 Ų57.179%0.79430%0.304SS*.THydrogen-bonded Turntrans85.65172.300000116.2
114T82.2Confident87.7Confident50 Ų5053 Ų5331%0.30729%0.285SS..SBendtrans-92.7163.2168.767.30000110.9W108 R111 D116 G117W108-T114 PolarHBondContact O-OG1 3.01Å; R111-T114 HydrophobicContact CB-CG2 4.29Å; R111-T114 HydrophobicContact CG-CG2 4.26Å; R111-T114 PolarHBondContact O-OG1 3.49Å; T114-D116 VanDerWaalsContact C-N 3.27Å; T114-D116 PolarHBondContact O-N 2.99Å; T114-G117 PolarHBondContact O-N 3.13Å; T114-G117 VanDerWaalsContact O-N 3.17Å; T114-G117 WeakPolarHBondContact OG1-CA 3.37Å; T114-G117 PolarHBondContact OG1-N 3.09Å
115S77.3Confident87.8Confident100 Ų10051.2 Ų51.270%0.69928%0.276SS*.THydrogen-bonded Turntrans-59.9-33.6-176.454.40000114.4N74N74-S115 PolarHBondContact ND2-O 3.26Å
116D77.9Confident87.9Confident70 Ų7051.2 Ų51.237%0.37428%0.276SS..THydrogen-bonded Turntrans-114.213.4178.5-66.1-64.2000112.2T114T114-D116 VanDerWaalsContact C-N 3.27Å; T114-D116 PolarHBondContact O-N 2.99Å
117G86.7Confident88Confident5 Ų549 Ų495%0.05227%0.267CS..PPolyproline II helixtrans-76.6164.7-174.200000113.8V109 R111 T114V109-G117 CarbonylContact O-C 3.52Å; V109-G117 VanDerWaalsContact O-C 3.3Å; V109-G117 VanDerWaalsContact O-CA 3.24Å; V109-G117 WeakPolarHBondContact O-CA 3.21Å; R111-G117 VanDerWaalsContact O-CA 3.3Å; R111-G117 WeakPolarHBondContact O-CA 3.47Å; T114-G117 PolarHBondContact O-N 3.13Å; T114-G117 VanDerWaalsContact O-N 3.17Å; T114-G117 WeakPolarHBondContact OG1-CA 3.37Å; T114-G117 PolarHBondContact OG1-N 3.09Å
118A91.4Very high88.3Confident4 Ų445.1 Ų45.13%0.03325%0.248CC..PPolyproline II helixtrans-61152.8170.400000110.6D19 F73 V109 L110 R111 P112 R124D19-A118 HydrophobicContact CB-CB 4.39Å; D19-A118 WeakPolarHBondContact OD2-CA 3.38Å; F73-A118 HydrophobicContact CD2-CB 4.3Å; F73-A118 HydrophobicContact CE2-CB 3.88Å; V109-A118 PolarHBondContact O-N 2.82Å; L110-A118 WeakPolarHBondContact O-CB 3.47Å; R111-A118 PolarHBondContact O-N 2.81Å; P112-A118 VanDerWaalsContact CA-O 3.3Å; P112-A118 WeakPolarHBondContact CA-O 3.45Å; A118-R124 HydrophobicContact CB-CG 3.8Å
119R88.1Confident88.6Confident31 Ų3137.8 Ų37.812%0.11722%0.221CC..PPolyproline II helixtrans-70.6138.8172.1-70.6174.2-74.2172.7-0.4109.2E17 G18 D19 R53 Q55 L122E17-R119 IonicContact OE1-NH1 2.91Å; G18-R119 PolarHBondContact O-NH2 2.94Å; D19-R119 IonicContact OD1-CZ 3.1Å; D19-R119 IonicContact OD1-NE 3.99Å; D19-R119 PolarHBondContact OD1-NE 3.19Å; D19-R119 IonicContact OD1-NH2 3.57Å; D19-R119 PolarHBondContact OD1-NH2 2.96Å; D19-R119 WeakPolarHBondContact OD2-CB 3.23Å; D19-R119 PolarHBondContact OD2-N 2.89Å; D19-R119 IonicContact OD2-NE 2.64Å; R53-R119 PolarHBondContact O-NH1 3.45Å; Q55-R119 PolarHBondContact O-NH1 3.44Å; Q55-R119 PolarHBondContact O-NH2 3.04Å; R119-L122 HydrophobicContact CB-CB 4.38Å; R119-L122 HydrophobicContact CB-CD1 3.71Å; R119-L122 HydrophobicContact CB-CG 4.25Å; R119-L122 HydrophobicContact CG-CD1 4.3Å
120E82.8Confident88.6Confident168 Ų16837.7 Ų37.779%0.78522%0.22SC*.THydrogen-bonded Turntrans-67.3140176.4-167.3171.8-174.600110.6P112 L122P112-E120 HydrophobicContact CB-CB 4.11Å; P112-E120 HydrophobicContact CB-CG 4.35Å; E120-L122 PolarHBondContact O-N 2.97Å
121G75.4Confident88.2Confident28 Ų2838.2 Ų38.229%0.28922%0.223SC..THydrogen-bonded Turntrans75.80.7173.400000116.3R220G121-R220 PolarHBondContact O-NH1 2.98Å; G121-R220 VanDerWaalsContact O-NH1 3.16Å
122L82.7Confident87.6Confident33 Ų3332.1 Ų32.117%0.17320%0.204CC..SBendtrans-103.4155.8178.2-67.5-177.2000112.8E17 R119 E120 R124E17-L122 HydrophobicContact CG-CD1 3.75Å; E17-L122 HydrophobicContact CG-CD2 4Å; R119-L122 HydrophobicContact CB-CB 4.38Å; R119-L122 HydrophobicContact CB-CD1 3.71Å; R119-L122 HydrophobicContact CB-CG 4.25Å; R119-L122 HydrophobicContact CG-CD1 4.3Å; E120-L122 PolarHBondContact O-N 2.97Å; L122-R124 PolarHBondContact O-N 3.49Å
123P88.2Confident87.4Confident7 Ų732.8 Ų32.85%0.04521%0.207CC..  trans-57.7136173.5-2027.9000111.5G18 D19 I200 E203G18-P123 WeakPolarHBondContact CA-O 3.14Å; D19-P123 PolarHBondContact N-O 2.77Å; P123-I200 HydrophobicContact CB-CG1 4.4Å; P123-E203 WeakPolarHBondContact CA-OE1 3.4Å; P123-E203 HydrophobicContact CB-CG 4.3Å; P123-E203 HydrophobicContact CG-CB 3.94Å; P123-E203 HydrophobicContact CG-CG 3.86Å
124R93.4Very high87.7Confident28 Ų2837.5 Ų37.511%0.10621%0.206CC..EExtended strand (participates in β ladder)trans-121128176.4-68.6171.9-63.8157.64.6109.7D19 L110 A118 L122 E148 V150 A151D19-R124 HydrophobicContact CB-CG 4.42Å; D19-R124 CarbonylContact O-C 3.57Å; D19-R124 WeakPolarHBondContact O-CA 3.41Å; L110-R124 HydrophobicContact CD2-CB 4.32Å; L110-R124 WeakPolarHBondContact O-CD 3.46Å; L110-R124 PolarHBondContact O-NH1 2.76Å; A118-R124 HydrophobicContact CB-CG 3.8Å; L122-R124 PolarHBondContact O-N 3.49Å; R124-E148 PolarHBondContact NH2-O 3.45Å; R124-V150 HydrophobicContact CB-CG1 4.46Å; R124-V150 HydrophobicContact CB-CG2 4.13Å; R124-V150 WeakPolarHBondContact O-CA 3.45Å; R124-A151 PolarHBondContact O-N 3.28Å
125V96.8Very high87.8Confident0 Ų036.3 Ų36.30%020%0.199CC..EExtended strand (participates in β ladder)trans-122.8130.5-179-170.80000109.1D19 V20 L21 V127 A151 L153 I196 I199 I200D19-V125 PolarHBondContact O-N 2.8Å; V20-V125 CarbonylContact C-O 3.6Å; V20-V125 WeakPolarHBondContact CA-O 3.34Å; V20-V125 HydrophobicContact CG1-CB 4.34Å; V20-V125 HydrophobicContact CG2-CB 4.32Å; L21-V125 PolarHBondContact N-O 3.45Å; V125-V127 HydrophobicContact CG1-CG2 4.05Å; V125-A151 CarbonylContact C-O 3.51Å; V125-A151 WeakPolarHBondContact CA-O 3.21Å; V125-L153 HydrophobicContact CG1-CD1 3.47Å; V125-L153 VanDerWaalsContact CG1-CD1 3.47Å; V125-I196 HydrophobicContact CG1-CG1 4.49Å; V125-I199 HydrophobicContact CG2-CB 4.38Å; V125-I199 HydrophobicContact CG2-CG2 3.68Å; V125-I200 HydrophobicContact CG2-CG1 4.25Å
126L98.5Very high88.4Confident0 Ų034 Ų340%019%0.19CC..EExtended strand (participates in β ladder)trans-106.2120.4168.3178.865.7000108.4L21 L23 L102 L110 M142 L145 V150 A151 V152 L153L21-L126 HydrophobicContact CB-CD1 4.07Å; L21-L126 HydrophobicContact CD2-CD1 3.93Å; L21-L126 HydrophobicContact CG-CD1 3.85Å; L21-L126 CarbonylContact O-C 3.45Å; L21-L126 WeakPolarHBondContact O-CA 3.37Å; L23-L126 HydrophobicContact CB-CD1 3.93Å; L102-L126 HydrophobicContact CD2-CD2 3.92Å; L110-L126 HydrophobicContact CD1-CB 4.5Å; L126-M142 HydrophobicContact CD2-CE 4.21Å; L126-M142 HydrophobicContact CD2-SD 3.94Å; L126-L145 HydrophobicContact CD2-CD1 3.85Å; L126-V150 HydrophobicContact CB-CG1 3.89Å; L126-A151 PolarHBondContact N-O 3.09Å; L126-V152 HydrophobicContact CB-CG2 4.45Å; L126-V152 WeakPolarHBondContact O-CA 3.38Å; L126-L153 PolarHBondContact O-N 2.97Å
127V98.5Very high89.2Confident0 Ų036.1 Ų36.10%020%0.202CC..EExtended strand (participates in β ladder)trans-110.2115173.4-172.60000108.3V20 L21 F22 L23 V125 L129 L153 L192 I196V20-V127 HydrophobicContact CG1-CG2 4.04Å; L21-V127 PolarHBondContact O-N 2.82Å; F22-V127 CarbonylContact C-O 3.46Å; F22-V127 WeakPolarHBondContact CA-O 3.42Å; F22-V127 HydrophobicContact CD1-CB 3.66Å; F22-V127 HydrophobicContact CD1-CG1 4.04Å; F22-V127 HydrophobicContact CD1-CG2 4.31Å; F22-V127 HydrophobicContact CE1-CB 3.71Å; F22-V127 HydrophobicContact CE1-CG1 3.94Å; F22-V127 HydrophobicContact CE1-CG2 3.92Å; F22-V127 HydrophobicContact CZ-CG2 4.5Å; L23-V127 PolarHBondContact N-O 2.88Å; V125-V127 HydrophobicContact CG1-CG2 4.05Å; V127-L129 HydrophobicContact CG1-CD1 3.86Å; V127-L153 CarbonylContact C-O 3.56Å; V127-L153 WeakPolarHBondContact CA-O 3.44Å; V127-L192 HydrophobicContact CG1-CD2 4.23Å; V127-I196 HydrophobicContact CG2-CD1 3.99Å; V127-I196 HydrophobicContact CG2-CG1 4.3Å
128W97.9Very high89.6Confident0 Ų035.9 Ų35.90%020%0.2CC..EExtended strand (participates in β ladder)trans-101.8119-178.7-178.423.1000111.1L23 T98 T130 P135 V138 M142 L153 V154 V155 L165 V168L23-W128 HydrophobicContact CB-CB 4.32Å; L23-W128 HydrophobicContact CB-CG 4.4Å; L23-W128 HydrophobicContact CD2-CB 4.42Å; L23-W128 HydrophobicContact CD2-CD2 4.41Å; L23-W128 HydrophobicContact CD2-CG 3.93Å; L23-W128 HydrophobicContact CG-CG 4.36Å; L23-W128 WeakPolarHBondContact O-CA 3.4Å; T98-W128 HydrophobicContact CG2-CH2 4.18Å; T98-W128 HydrophobicContact CG2-CZ2 3.57Å; W128-T130 HydrophobicContact CD2-CG2 4.12Å; W128-T130 HydrophobicContact CH2-CG2 4.42Å; W128-T130 HydrophobicContact CZ2-CG2 3.82Å; W128-P135 HydrophobicContact CH2-CB 3.64Å; W128-P135 HydrophobicContact CH2-CG 4.41Å; W128-P135 HydrophobicContact CZ2-CB 3.85Å; W128-V138 HydrophobicContact CH2-CG1 4.15Å; W128-V138 HydrophobicContact CH2-CG2 4.22Å; W128-V138 HydrophobicContact CZ3-CG2 4.22Å; W128-M142 HydrophobicContact CD2-CE 4.04Å; W128-M142 HydrophobicContact CE3-CE 3.46Å; W128-M142 VanDerWaalsContact CE3-CE 3.46Å; W128-M142 HydrophobicContact CZ3-CE 3.98Å; W128-L153 PolarHBondContact N-O 3.11Å; W128-V154 HydrophobicContact CB-CG2 4.23Å; W128-V154 HydrophobicContact CE3-CG1 4.44Å; W128-V154 HydrophobicContact CE3-CG2 3.87Å; W128-V154 CarbonylContact O-C 3.59Å; W128-V154 WeakPolarHBondContact O-CA 3.49Å; W128-V155 PolarHBondContact O-N 2.83Å; W128-L165 HydrophobicContact CE3-CD2 4.34Å; W128-L165 HydrophobicContact CH2-CD2 4.05Å; W128-L165 HydrophobicContact CZ3-CD2 3.61Å; W128-V168 HydrophobicContact CZ3-CG2 4.37Å
129L97.3Very high89.7Confident1 Ų138.7 Ų38.71%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-106121.2176.5-70.881.1000108.7F22 L23 L24 D25 M38 F41 L42 V127 V155 M185F22-L129 HydrophobicContact CD1-CD1 3.89Å; L23-L129 PolarHBondContact O-N 3.15Å; L24-L129 HydrophobicContact CD1-CB 4.09Å; L24-L129 HydrophobicContact CD1-CD2 4.42Å; D25-L129 VanDerWaalsContact CB-O 3.24Å; D25-L129 WeakPolarHBondContact CB-O 3.34Å; D25-L129 PolarHBondContact N-O 3.48Å; M38-L129 HydrophobicContact CB-CD2 4.19Å; M38-L129 HydrophobicContact CG-CD2 4.36Å; M38-L129 HydrophobicContact SD-CB 3.98Å; F41-L129 HydrophobicContact CD1-CD2 3.91Å; F41-L129 HydrophobicContact CE1-CD2 4.23Å; L42-L129 HydrophobicContact CD1-CD2 4.39Å; L42-L129 HydrophobicContact CD2-CD1 3.86Å; L42-L129 HydrophobicContact CD2-CD2 3.72Å; L42-L129 HydrophobicContact CD2-CG 4.48Å; L42-L129 HydrophobicContact CG-CD2 3.94Å; V127-L129 HydrophobicContact CG1-CD1 3.86Å; L129-V155 WeakPolarHBondContact CA-O 3.22Å; L129-V155 HydrophobicContact CG-CB 4.36Å; L129-M185 HydrophobicContact CD2-CE 4.1Å
130T93.7Very high90.1Very high0 Ų038.7 Ų38.70%022%0.223CC..EExtended strand (participates in β ladder)trans-153148.4-174.8-178.80000114D25 W128 G132 V155 S156 T157D25-T130 PolarHBondContact OD2-OG1 3.18Å; W128-T130 HydrophobicContact CD2-CG2 4.12Å; W128-T130 HydrophobicContact CH2-CG2 4.42Å; W128-T130 HydrophobicContact CZ2-CG2 3.82Å; T130-G132 PolarHBondContact O-N 3.03Å; T130-G132 PolarHBondContact OG1-N 3.2Å; T130-V155 PolarHBondContact N-O 2.75Å; T130-V155 VanDerWaalsContact N-O 3.08Å; T130-S156 WeakPolarHBondContact O-CA 3.24Å; T130-S156 PolarHBondContact O-OG 3.37Å; T130-T157 PolarHBondContact O-N 3.48Å
131D88.1Confident90.8Very high11 Ų1132.1 Ų32.16%0.05920%0.195CC..  trans-75.5-9.3167.671-3000112.6S29 V30 V133 G158S29-D131 WeakPolarHBondContact CB-OD2 3.39Å; S29-D131 PolarHBondContact OG-OD2 3.47Å; V30-D131 HydrophobicContact CG2-CB 4.19Å; D131-V133 PolarHBondContact OD1-N 3.48Å; D131-G158 VanDerWaalsContact O-CA 3.31Å; D131-G158 WeakPolarHBondContact O-CA 3.22Å
132G80.2Confident91.7Very high13 Ų1330.8 Ų30.813%0.13418%0.181CC..  trans82.36.7176.500000115.5T130 K134 S160T130-G132 PolarHBondContact O-N 3.03Å; T130-G132 PolarHBondContact OG1-N 3.2Å; G132-K134 PolarHBondContact O-N 3.35Å; G132-S160 WeakPolarHBondContact CA-OG 3.45Å
133V82.3Confident92.1Very high63 Ų6330.3 Ų30.338%0.38218%0.182SC..SBendtrans-81.5115.1-174.8179.20000110.7D131D131-V133 PolarHBondContact OD1-N 3.48Å
134K83.4Confident92.4Very high175 Ų17534.2 Ų34.276%0.76120%0.2SC*.  trans48.156.3173.5-60.3179.1-179.3175.90114.1G132 G136G132-K134 PolarHBondContact O-N 3.35Å; K134-G136 PolarHBondContact O-N 3.38Å
135P83.8Confident92.4Very high26 Ų2632.9 Ų32.917%0.16920%0.195CC..  trans-66.7-10-178.528.9-36.6000114.3T98 W128 V138T98-P135 VanDerWaalsContact CB-O 3.27Å; T98-P135 WeakPolarHBondContact CB-O 3.18Å; T98-P135 PolarHBondContact OG1-O 3.35Å; W128-P135 HydrophobicContact CH2-CB 3.64Å; W128-P135 HydrophobicContact CH2-CG 4.41Å; W128-P135 HydrophobicContact CZ2-CB 3.85Å; P135-V138 HydrophobicContact CB-CG1 4.16Å; P135-V138 WeakPolarHBondContact O-CG1 3.44Å
136G89.4Confident92.1Very high50 Ų5036.4 Ų36.452%0.51521%0.208SC..  trans77.2-165.5-171.900000112.5K134 V138K134-G136 PolarHBondContact O-N 3.38Å; G136-V138 PolarHBondContact O-N 3.37Å
137D94Very high91.4Very high115 Ų11544.3 Ų44.362%0.61525%0.245SC*.SBendtrans-8488.8177.1-174.17.2000111V99 I139V99-D137 WeakPolarHBondContact CG2-O 3.39Å; D137-I139 PolarHBondContact OD1-N 3.13Å
138V95Very high90.7Very high1 Ų148.5 Ų48.51%0.00627%0.265CS..  trans-92.7-10-178.3-65.70000113.4T98 L102 W128 P135 G136 M142 V164 V168T98-V138 HydrophobicContact CG2-CG1 3.86Å; L102-V138 HydrophobicContact CD1-CB 3.99Å; L102-V138 HydrophobicContact CD1-CG1 3.83Å; W128-V138 HydrophobicContact CH2-CG1 4.15Å; W128-V138 HydrophobicContact CH2-CG2 4.22Å; W128-V138 HydrophobicContact CZ3-CG2 4.22Å; P135-V138 HydrophobicContact CB-CG1 4.16Å; P135-V138 WeakPolarHBondContact O-CG1 3.44Å; G136-V138 PolarHBondContact O-N 3.37Å; V138-M142 HydrophobicContact CB-CG 4.36Å; V138-M142 VanDerWaalsContact O-CB 3.23Å; V138-M142 WeakPolarHBondContact O-CB 3.35Å; V138-M142 WeakPolarHBondContact O-CG 3.41Å; V138-M142 PolarHBondContact O-N 3.17Å; V138-V164 HydrophobicContact CG2-CG1 3.85Å; V138-V168 HydrophobicContact CG2-CG1 3.97Å
139I95Very high90Very high62 Ų6250.4 Ų50.432%0.31829%0.285SS..Hα-helixtrans-65.6-50.7-171-65.7169.1000110.8D137 A143 V164 E167 V168D137-I139 PolarHBondContact OD1-N 3.13Å; I139-A143 WeakPolarHBondContact O-CB 3.17Å; I139-A143 PolarHBondContact O-N 3.3Å; I139-V164 HydrophobicContact CG1-CG1 4.28Å; I139-E167 WeakPolarHBondContact CD1-OE2 3.38Å; I139-V168 HydrophobicContact CG1-CG1 4.32Å
140G95.9Very high89.8Confident32 Ų3250.6 Ų50.633%0.3329%0.285SS..Hα-helixtrans-59.1-57.3177.400000112.9M142 A143 E144G140-M142 VanDerWaalsContact C-N 3.3Å; G140-M142 PolarHBondContact O-N 2.9Å; G140-A143 WeakPolarHBondContact O-CB 3.28Å; G140-A143 PolarHBondContact O-N 3.41Å; G140-A143 VanDerWaalsContact O-N 3.09Å; G140-E144 WeakPolarHBondContact O-CG 3.34Å; G140-E144 PolarHBondContact O-N 2.97Å
141P96.6Very high89.8Confident29 Ų2951.2 Ų51.219%0.18829%0.291CS..Hα-helixtrans-57-38.7179.8-27.834.7000114.3V99 L102 L145V99-P141 HydrophobicContact CG1-CG 4.34Å; L102-P141 HydrophobicContact CB-CB 4.08Å; L102-P141 HydrophobicContact CD1-CB 4.02Å; P141-L145 PolarHBondContact O-N 3.3Å; P141-L145 VanDerWaalsContact O-N 3.13Å
142M96Very high90.3Very high0 Ų050.7 Ų50.70%029%0.288CS..Hα-helixtrans-71.1-37177.2-69.6-70.5-157.200112.1L102 L126 W128 V138 G140 L145 R146 V152 V168L102-M142 HydrophobicContact CD1-CE 3.9Å; L102-M142 HydrophobicContact CD1-CG 4Å; L102-M142 HydrophobicContact CD1-SD 4.13Å; L102-M142 HydrophobicContact CD2-CE 3.48Å; L102-M142 VanDerWaalsContact CD2-CE 3.48Å; L102-M142 HydrophobicContact CD2-SD 3.63Å; L102-M142 HydrophobicContact CG-CE 4.3Å; L126-M142 HydrophobicContact CD2-CE 4.21Å; L126-M142 HydrophobicContact CD2-SD 3.94Å; W128-M142 HydrophobicContact CD2-CE 4.04Å; W128-M142 HydrophobicContact CE3-CE 3.46Å; W128-M142 VanDerWaalsContact CE3-CE 3.46Å; W128-M142 HydrophobicContact CZ3-CE 3.98Å; V138-M142 HydrophobicContact CB-CG 4.36Å; V138-M142 VanDerWaalsContact O-CB 3.23Å; V138-M142 WeakPolarHBondContact O-CB 3.35Å; V138-M142 WeakPolarHBondContact O-CG 3.41Å; V138-M142 PolarHBondContact O-N 3.17Å; G140-M142 VanDerWaalsContact C-N 3.3Å; G140-M142 PolarHBondContact O-N 2.9Å; M142-L145 PolarHBondContact O-N 2.95Å; M142-L145 HydrophobicContact SD-CD1 4.28Å; M142-R146 WeakPolarHBondContact O-CG 3.13Å; M142-R146 PolarHBondContact O-N 3.39Å; M142-R146 VanDerWaalsContact O-N 3.09Å; M142-V152 HydrophobicContact CE-CG1 4.31Å; M142-V152 HydrophobicContact SD-CG1 3.93Å; M142-V152 HydrophobicContact SD-CG2 4.28Å; M142-V168 HydrophobicContact CB-CB 3.76Å; M142-V168 HydrophobicContact CB-CG1 3.81Å; M142-V168 HydrophobicContact CG-CB 3.79Å; M142-V168 HydrophobicContact CG-CG1 3.84Å
143A91.3Very high91.1Very high24 Ų2450 Ų5020%0.19828%0.281CS..Hα-helixtrans-61.1-45.1173.600000111.4I139 G140 L145 R146 E147I139-A143 WeakPolarHBondContact O-CB 3.17Å; I139-A143 PolarHBondContact O-N 3.3Å; G140-A143 WeakPolarHBondContact O-CB 3.28Å; G140-A143 PolarHBondContact O-N 3.41Å; G140-A143 VanDerWaalsContact O-N 3.09Å; A143-L145 PolarHBondContact O-N 2.97Å; A143-R146 PolarHBondContact O-N 2.54Å; A143-E147 WeakPolarHBondContact O-CG 3.27Å; A143-E147 PolarHBondContact O-N 3.25Å
144E93.5Very high91.8Very high88 Ų8847 Ų4741%0.41126%0.263SS..Hα-helixtrans-60.7-42.4176.9-68.2175.7-164.200112.5K106 G140 R146 E147 E148K106-E144 IonicContact NZ-OE2 2.99Å; K106-E144 PolarHBondContact NZ-OE2 3.03Å; G140-E144 WeakPolarHBondContact O-CG 3.34Å; G140-E144 PolarHBondContact O-N 2.97Å; E144-R146 VanDerWaalsContact C-N 3.33Å; E144-R146 PolarHBondContact O-N 3.21Å; E144-E147 PolarHBondContact O-N 3.38Å; E144-E148 PolarHBondContact O-N 2.64Å
145L93.5Very high92.5Very high1 Ų138.7 Ų38.71%0.00523%0.227CC..Hα-helixtrans-60-43175.3-79.6170.9000111.9L102 K106 L110 L126 P141 M142 A143 E148 G149 V150L102-L145 HydrophobicContact CD2-CD1 4.08Å; K106-L145 HydrophobicContact CB-CD2 3.71Å; K106-L145 HydrophobicContact CB-CG 4.35Å; K106-L145 HydrophobicContact CG-CD2 3.85Å; L110-L145 HydrophobicContact CD1-CD2 3.7Å; L126-L145 HydrophobicContact CD2-CD1 3.85Å; P141-L145 PolarHBondContact O-N 3.3Å; P141-L145 VanDerWaalsContact O-N 3.13Å; M142-L145 PolarHBondContact O-N 2.95Å; M142-L145 HydrophobicContact SD-CD1 4.28Å; A143-L145 PolarHBondContact O-N 2.97Å; L145-E148 PolarHBondContact O-N 3.01Å; L145-G149 PolarHBondContact O-N 3.37Å; L145-V150 HydrophobicContact CB-CB 4.28Å; L145-V150 HydrophobicContact CD2-CG2 4.22Å; L145-V150 VanDerWaalsContact O-CB 3.27Å; L145-V150 WeakPolarHBondContact O-CB 3.32Å; L145-V150 WeakPolarHBondContact O-CG2 3.42Å; L145-V150 PolarHBondContact O-N 2.82Å
146R89.6Confident93Very high74 Ų7437.5 Ų37.528%0.27922%0.219SC..Hα-helixtrans-67.6-38.8176.9-67.8-174.1-44.7-119.11.1112.7M142 A143 E144 E148 G149 V150 V152 E167 V168M142-R146 WeakPolarHBondContact O-CG 3.13Å; M142-R146 PolarHBondContact O-N 3.39Å; M142-R146 VanDerWaalsContact O-N 3.09Å; A143-R146 PolarHBondContact O-N 2.54Å; E144-R146 VanDerWaalsContact C-N 3.33Å; E144-R146 PolarHBondContact O-N 3.21Å; R146-E148 PolarHBondContact O-N 3.31Å; R146-G149 WeakPolarHBondContact O-CA 3.34Å; R146-G149 PolarHBondContact O-N 3.39Å; R146-V150 WeakPolarHBondContact CA-O 3.42Å; R146-V152 HydrophobicContact CG-CB 4.5Å; R146-V152 HydrophobicContact CG-CG2 3.83Å; R146-E167 PolarHBondContact NH1-O 2.95Å; R146-E167 PolarHBondContact NH2-O 3.13Å; R146-V168 PolarHBondContact NH1-O 3.48Å
147E83.9Confident92.9Very high166 Ų16636 Ų3678%0.77620%0.2SC*.Hα-helixtrans-60.9-34.2173.8-75.8178.3178.300111.7A143 E144 G149A143-E147 WeakPolarHBondContact O-CG 3.27Å; A143-E147 PolarHBondContact O-N 3.25Å; E144-E147 PolarHBondContact O-N 3.38Å; E147-G149 PolarHBondContact O-N 3.4Å
148E84.4Confident92.1Very high88 Ų8831.9 Ų31.941%0.41119%0.185SC..THydrogen-bonded Turntrans-75-3172.8-72.5-175.5-163.400113.5K106 R124 E144 L145 R146K106-E148 WeakPolarHBondContact CE-OE1 3.45Å; K106-E148 IonicContact NZ-OE1 3.21Å; K106-E148 PolarHBondContact NZ-OE1 2.93Å; R124-E148 PolarHBondContact NH2-O 3.45Å; E144-E148 PolarHBondContact O-N 2.64Å; L145-E148 PolarHBondContact O-N 3.01Å; R146-E148 PolarHBondContact O-N 3.31Å
149G83.5Confident90.8Very high40 Ų4041.7 Ų41.741%0.41223%0.23SC..THydrogen-bonded Turntrans88.525.6178.900000114.2L145 R146 E147L145-G149 PolarHBondContact O-N 3.37Å; R146-G149 WeakPolarHBondContact O-CA 3.34Å; R146-G149 PolarHBondContact O-N 3.39Å; E147-G149 PolarHBondContact O-N 3.4Å
150V92.9Very high89.7Confident4 Ų439.5 Ų39.52%0.02422%0.22CC..EExtended strand (participates in β ladder)trans-91.3125.4169.1-177.40000109.3L110 R124 L126 L145 R146L110-V150 HydrophobicContact CB-CG2 4.42Å; L110-V150 HydrophobicContact CD1-CG1 4.02Å; L110-V150 HydrophobicContact CD1-CG2 4.26Å; L110-V150 HydrophobicContact CD2-CG1 4.39Å; R124-V150 HydrophobicContact CB-CG1 4.46Å; R124-V150 HydrophobicContact CB-CG2 4.13Å; R124-V150 WeakPolarHBondContact O-CA 3.45Å; L126-V150 HydrophobicContact CB-CG1 3.89Å; L145-V150 HydrophobicContact CB-CB 4.28Å; L145-V150 HydrophobicContact CD2-CG2 4.22Å; L145-V150 VanDerWaalsContact O-CB 3.27Å; L145-V150 WeakPolarHBondContact O-CB 3.32Å; L145-V150 WeakPolarHBondContact O-CG2 3.42Å; L145-V150 PolarHBondContact O-N 2.82Å; R146-V150 WeakPolarHBondContact CA-O 3.42Å
151A94.3Very high89Confident13 Ų1342.4 Ų42.411%0.10723%0.228CC..EExtended strand (participates in β ladder)trans-79.7133.7171.200000110.6R124 V125 L126 T170 I199R124-A151 PolarHBondContact O-N 3.28Å; V125-A151 CarbonylContact C-O 3.51Å; V125-A151 WeakPolarHBondContact CA-O 3.21Å; L126-A151 PolarHBondContact N-O 3.09Å; A151-T170 WeakPolarHBondContact CA-OG1 3.36Å; A151-I199 HydrophobicContact CB-CD1 3.87Å; A151-I199 HydrophobicContact CB-CG1 4.34Å; A151-I199 HydrophobicContact CB-CG2 3.59Å
152V97Very high88.5Confident0 Ų046.6 Ų46.60%024%0.241CC..EExtended strand (participates in β ladder)trans-114.8123.1-176-179.50000110L126 M142 R146 V154 V168 V169 T170L126-V152 HydrophobicContact CB-CG2 4.45Å; L126-V152 WeakPolarHBondContact O-CA 3.38Å; M142-V152 HydrophobicContact CE-CG1 4.31Å; M142-V152 HydrophobicContact SD-CG1 3.93Å; M142-V152 HydrophobicContact SD-CG2 4.28Å; R146-V152 HydrophobicContact CG-CB 4.5Å; R146-V152 HydrophobicContact CG-CG2 3.83Å; V152-V154 HydrophobicContact CG1-CG2 4.45Å; V152-V168 WeakPolarHBondContact CG1-O 3.34Å; V152-V169 WeakPolarHBondContact O-CA 3.49Å; V152-T170 PolarHBondContact N-OG1 3.35Å; V152-T170 PolarHBondContact O-N 2.87Å
153L98.2Very high88Confident0 Ų054.1 Ų54.10%027%0.274CS..EExtended strand (participates in β ladder)trans-119147.9172-62.273.4000109V125 L126 V127 W128 H176 L192 A195 I196 I199V125-L153 HydrophobicContact CG1-CD1 3.47Å; V125-L153 VanDerWaalsContact CG1-CD1 3.47Å; L126-L153 PolarHBondContact O-N 2.97Å; V127-L153 CarbonylContact C-O 3.56Å; V127-L153 WeakPolarHBondContact CA-O 3.44Å; W128-L153 PolarHBondContact N-O 3.11Å; L153-H176 CarbonylContact C-O 3.47Å; L153-H176 WeakPolarHBondContact CA-O 3.4Å; L153-H176 HydrophobicContact CB-CB 4.47Å; L153-H176 HydrophobicContact CG-CB 3.96Å; L153-L192 HydrophobicContact CB-CD1 4.21Å; L153-L192 HydrophobicContact CD2-CD1 3.53Å; L153-A195 HydrophobicContact CD2-CB 3.86Å; L153-I196 HydrophobicContact CD2-CG1 4.2Å; L153-I199 HydrophobicContact CD1-CD1 3.55Å; L153-I199 HydrophobicContact CD2-CD1 4.35Å; L153-I199 HydrophobicContact CG-CD1 4.35Å
154V97.4Very high88Confident0 Ų054.5 Ų54.50%027%0.274CS..EExtended strand (participates in β ladder)trans-131131.3-178.6177.40000110W128 V152 L165 V168 V169 H176 L177 H178W128-V154 HydrophobicContact CB-CG2 4.23Å; W128-V154 HydrophobicContact CE3-CG1 4.44Å; W128-V154 HydrophobicContact CE3-CG2 3.87Å; W128-V154 CarbonylContact O-C 3.59Å; W128-V154 WeakPolarHBondContact O-CA 3.49Å; V152-V154 HydrophobicContact CG1-CG2 4.45Å; V154-L165 HydrophobicContact CG1-CD1 4.01Å; V154-L165 HydrophobicContact CG1-CD2 4.17Å; V154-V168 HydrophobicContact CG2-CG2 4.17Å; V154-V169 HydrophobicContact CB-CG1 3.75Å; V154-V169 HydrophobicContact CG2-CG1 3.49Å; V154-V169 VanDerWaalsContact CG2-CG1 3.49Å; V154-H176 PolarHBondContact N-O 2.73Å; V154-L177 HydrophobicContact CB-CD1 3.82Å; V154-L177 HydrophobicContact CG1-CD1 3.92Å; V154-L177 WeakPolarHBondContact O-CA 3.37Å; V154-H178 PolarHBondContact O-N 3.18Å
155V96.8Very high87.9Confident0 Ų050.5 Ų50.50%026%0.255CS..EExtended strand (participates in β ladder)trans-115.4123.3167.2-1790000107.6W128 L129 T130 V180 M185 I188 L192W128-V155 PolarHBondContact O-N 2.83Å; L129-V155 WeakPolarHBondContact CA-O 3.22Å; L129-V155 HydrophobicContact CG-CB 4.36Å; T130-V155 PolarHBondContact N-O 2.75Å; T130-V155 VanDerWaalsContact N-O 3.08Å; V155-V180 HydrophobicContact CG1-CG1 4.08Å; V155-M185 HydrophobicContact CG1-CE 3.68Å; V155-I188 HydrophobicContact CB-CD1 4.36Å; V155-I188 HydrophobicContact CG1-CD1 3.55Å; V155-I188 HydrophobicContact CG2-CD1 3.87Å; V155-L192 HydrophobicContact CG2-CD1 4.34Å; V155-L192 HydrophobicContact CG2-CD2 3.63Å
156S94.1Very high87.7Confident1 Ų157.3 Ų57.31%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-122.7131.3-179-1510000113.2T130 S160 H178 F179 V180T130-S156 WeakPolarHBondContact O-CA 3.24Å; T130-S156 PolarHBondContact O-OG 3.37Å; S156-S160 WeakPolarHBondContact OG-CB 3.17Å; S156-S160 PolarHBondContact OG-OG 3.21Å; S156-H178 PolarHBondContact N-O 2.93Å; S156-F179 WeakPolarHBondContact O-CA 3.23Å; S156-V180 PolarHBondContact O-N 3.19Å
157T88.8Confident87.8Confident19 Ų1958.8 Ų58.812%0.11729%0.291CS..  trans-106.13.5-173.960.80000114.4T130 V180 I182 M185T130-T157 PolarHBondContact O-N 3.48Å; T157-V180 VanDerWaalsContact CA-O 3.26Å; T157-V180 WeakPolarHBondContact CA-O 3.42Å; T157-I182 HydrophobicContact CG2-CD1 3.81Å; T157-M185 HydrophobicContact CG2-CE 4.1Å; T157-M185 HydrophobicContact CG2-CG 4.18Å; T157-M185 HydrophobicContact CG2-SD 3.89Å
158G75.6Confident88.2Confident28 Ų2850.9 Ų50.929%0.28925%0.254SS..SBendtrans-135.5-166.2-176.400000114.2D131 S160D131-G158 VanDerWaalsContact O-CA 3.31Å; D131-G158 WeakPolarHBondContact O-CA 3.22Å; G158-S160 PolarHBondContact O-N 2.85Å; G158-S160 PolarHBondContact O-OG 2.88Å
159H67.9Low88.6Confident207 Ų20747 Ų4796%0.95824%0.236SC*.SBendtrans-83.658.4-177.5-66.386.2000111.7
160S73.1Confident88.8Confident16 Ų1646.5 Ų46.511%0.11223%0.225CC..  trans-77.5155-174-26.60000111.2G132 S156 G158 Y162G132-S160 WeakPolarHBondContact CA-OG 3.45Å; S156-S160 WeakPolarHBondContact OG-CB 3.17Å; S156-S160 PolarHBondContact OG-OG 3.21Å; G158-S160 PolarHBondContact O-N 2.85Å; G158-S160 PolarHBondContact O-OG 2.88Å; S160-Y162 PolarHBondContact O-N 2.93Å
161N81.3Confident88.3Confident92 Ų9250.9 Ų50.949%0.49225%0.253SS..  trans-73.897.6178.5-171.8-17.1000110.7K163 V164 L165N161-K163 PolarHBondContact O-N 3.45Å; N161-K163 VanDerWaalsContact O-N 3.08Å; N161-K163 WeakPolarHBondContact OD1-CB 3.17Å; N161-K163 PolarHBondContact OD1-N 3.49Å; N161-K163 VanDerWaalsContact OD1-N 3.09Å; N161-V164 HydrophobicContact CB-CB 4.24Å; N161-V164 HydrophobicContact CB-CG2 4.08Å; N161-V164 PolarHBondContact O-N 2.84Å; N161-L165 PolarHBondContact O-N 3.45Å
162Y84.9Confident87.9Confident118 Ų11852.8 Ų52.846%0.46327%0.265SS..Hα-helixtrans-48.1-37.7177.2176.4-92.2000113.3S160 L165 R166 L177 F179S160-Y162 PolarHBondContact O-N 2.93Å; Y162-L165 PolarHBondContact O-N 3.29Å; Y162-R166 HydrophobicContact CE1-CB 4.31Å; Y162-R166 WeakPolarHBondContact O-CB 3.5Å; Y162-R166 PolarHBondContact O-N 3.45Å; Y162-L177 HydrophobicContact CD2-CD2 4.26Å; Y162-L177 HydrophobicContact CE2-CD2 4.01Å; Y162-F179 HydrophobicContact CD2-CD2 4.4Å; Y162-F179 AromaticContact CD2-CE2 3.52Å; Y162-F179 HydrophobicContact CD2-CE2 3.52Å; Y162-F179 AromaticContact CD2-CZ 3.9Å; Y162-F179 HydrophobicContact CD2-CZ 3.9Å; Y162-F179 HydrophobicContact CE2-CE2 4.15Å
163K86.8Confident87.2Confident157 Ų15754.1 Ų54.168%0.68327%0.273SS*.Hα-helixtrans-64-45.3-180-64.5-175.8178.3-178.90111.6N161 E167N161-K163 PolarHBondContact O-N 3.45Å; N161-K163 VanDerWaalsContact O-N 3.08Å; N161-K163 WeakPolarHBondContact OD1-CB 3.17Å; N161-K163 PolarHBondContact OD1-N 3.49Å; N161-K163 VanDerWaalsContact OD1-N 3.09Å; K163-E167 WeakPolarHBondContact O-CG 3.38Å; K163-E167 PolarHBondContact O-N 3.36Å
164V89.8Confident86.6Confident33 Ų3360.8 Ų60.820%0.230%0.304CS..Hα-helixtrans-66-47.5177.6175.90000110.3V138 I139 N161 R166 E167 V168V138-V164 HydrophobicContact CG2-CG1 3.85Å; I139-V164 HydrophobicContact CG1-CG1 4.28Å; N161-V164 HydrophobicContact CB-CB 4.24Å; N161-V164 HydrophobicContact CB-CG2 4.08Å; N161-V164 PolarHBondContact O-N 2.84Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 3.13Å; V164-E167 PolarHBondContact O-N 2.89Å; V164-E167 VanDerWaalsContact O-N 3.13Å; V164-V168 PolarHBondContact O-N 2.92Å
165L91.1Very high86.1Confident4 Ų464.8 Ų64.82%0.02133%0.325CS..Hα-helixtrans-66.4-34.8-176.8-64.3-172000113W128 V154 N161 Y162 E167 V168 V169 L177 F179W128-L165 HydrophobicContact CE3-CD2 4.34Å; W128-L165 HydrophobicContact CH2-CD2 4.05Å; W128-L165 HydrophobicContact CZ3-CD2 3.61Å; V154-L165 HydrophobicContact CG1-CD1 4.01Å; V154-L165 HydrophobicContact CG1-CD2 4.17Å; N161-L165 PolarHBondContact O-N 3.45Å; Y162-L165 PolarHBondContact O-N 3.29Å; L165-E167 VanDerWaalsContact C-N 3.29Å; L165-E167 PolarHBondContact O-N 2.77Å; L165-V168 HydrophobicContact CD2-CG2 4.33Å; L165-V168 VanDerWaalsContact O-CG2 3.24Å; L165-V168 WeakPolarHBondContact O-CG2 3.1Å; L165-V168 PolarHBondContact O-N 3.48Å; L165-V169 PolarHBondContact O-N 2.89Å; L165-L177 HydrophobicContact CB-CD1 3.74Å; L165-L177 HydrophobicContact CB-CD2 4.2Å; L165-L177 HydrophobicContact CD1-CD1 4.28Å; L165-F179 HydrophobicContact CB-CZ 4.4Å; L165-F179 HydrophobicContact CD1-CE1 4.02Å; L165-F179 HydrophobicContact CD1-CZ 3.82Å
166R90.8Very high85.9Confident143 Ų14365.3 Ų65.354%0.5433%0.328SS..Hα-helixtrans-62.9-33.8173.1175.4176.3177.5-163.60.3112.9Y162 V164 V173 L177Y162-R166 HydrophobicContact CE1-CB 4.31Å; Y162-R166 WeakPolarHBondContact O-CB 3.5Å; Y162-R166 PolarHBondContact O-N 3.45Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 3.13Å; R166-V173 HydrophobicContact CG-CG1 4.09Å; R166-V173 HydrophobicContact CG-CG2 4.14Å; R166-L177 HydrophobicContact CB-CD2 4.25Å
167E90.8Very high86Confident106 Ų10666 Ų6650%0.49533%0.331SS..Hα-helixtrans-78.3-21.5-179.1-74179.1-156.300113I139 R146 K163 V164 L165I139-E167 WeakPolarHBondContact CD1-OE2 3.38Å; R146-E167 PolarHBondContact NH1-O 2.95Å; R146-E167 PolarHBondContact NH2-O 3.13Å; K163-E167 WeakPolarHBondContact O-CG 3.38Å; K163-E167 PolarHBondContact O-N 3.36Å; V164-E167 PolarHBondContact O-N 2.89Å; V164-E167 VanDerWaalsContact O-N 3.13Å; L165-E167 VanDerWaalsContact C-N 3.29Å; L165-E167 PolarHBondContact O-N 2.77Å
168V92.9Very high86.3Confident0 Ų066.1 Ų66.10%033%0.33CS..Hα-helixtrans-93.4-24.5-177.5-60.40000114.4W128 V138 I139 M142 R146 V152 V154 V164 L165W128-V168 HydrophobicContact CZ3-CG2 4.37Å; V138-V168 HydrophobicContact CG2-CG1 3.97Å; I139-V168 HydrophobicContact CG1-CG1 4.32Å; M142-V168 HydrophobicContact CB-CB 3.76Å; M142-V168 HydrophobicContact CB-CG1 3.81Å; M142-V168 HydrophobicContact CG-CB 3.79Å; M142-V168 HydrophobicContact CG-CG1 3.84Å; R146-V168 PolarHBondContact NH1-O 3.48Å; V152-V168 WeakPolarHBondContact CG1-O 3.34Å; V154-V168 HydrophobicContact CG2-CG2 4.17Å; V164-V168 PolarHBondContact O-N 2.92Å; L165-V168 HydrophobicContact CD2-CG2 4.33Å; L165-V168 VanDerWaalsContact O-CG2 3.24Å; L165-V168 WeakPolarHBondContact O-CG2 3.1Å; L165-V168 PolarHBondContact O-N 3.48Å
169V92.9Very high87.1Confident5 Ų568.9 Ų68.93%0.0334%0.335CS..SBendtrans-74.2151.6178.8-66.60000112.7V152 V154 L165 V173 H176 L177V152-V169 WeakPolarHBondContact O-CA 3.49Å; V154-V169 HydrophobicContact CB-CG1 3.75Å; V154-V169 HydrophobicContact CG2-CG1 3.49Å; V154-V169 VanDerWaalsContact CG2-CG1 3.49Å; L165-V169 PolarHBondContact O-N 2.89Å; V169-V173 HydrophobicContact CG2-CB 4.36Å; V169-V173 HydrophobicContact CG2-CG1 4.12Å; V169-V173 HydrophobicContact CG2-CG2 4.02Å; V169-H176 HydrophobicContact CB-CB 4.32Å; V169-L177 HydrophobicContact CG1-CB 4.09Å; V169-L177 HydrophobicContact CG1-CD1 4.3Å; V169-L177 HydrophobicContact CG2-CB 4.2Å
170T88.3Confident88.3Confident31 Ų3160 Ų6019%0.1930%0.295CS..PPolyproline II helixtrans-71138.9168.2-63.40000109.1A151 V152 H176A151-T170 WeakPolarHBondContact CA-OG1 3.36Å; V152-T170 PolarHBondContact N-OG1 3.35Å; V152-T170 PolarHBondContact O-N 2.87Å; T170-H176 WeakPolarHBondContact O-CB 3.44Å; T170-H176 PolarHBondContact O-ND1 2.96Å
171P81.6Confident89.3Confident95 Ų9563.5 Ų63.562%0.61731%0.312SS*.SBendtrans-65.8154.5172.4-23.834.9000113.2H176P171-H176 PolarHBondContact O-CE1 2.81Å; P171-H176 PolarHBondContact O-ND1 2.85Å
172P86.1Confident89.9Confident53 Ų5359.8 Ų59.834%0.34429%0.292SS..PPolyproline II helixcis-73.7137.4-4.629.3-33.4000112.5E174 N175 H176P172-E174 VanDerWaalsContact C-N 3.31Å; P172-E174 HydrophobicContact CB-CG 4.24Å; P172-E174 WeakPolarHBondContact CB-OE1 3.43Å; P172-E174 PolarHBondContact O-N 3.31Å; P172-N175 HydrophobicContact CG-CB 4.17Å; P172-N175 PolarHBondContact O-N 3.49Å; P172-H176 PolarHBondContact O-N 2.69Å; P172-H176 PolarHBondContact O-ND1 2.84Å
173V82.9Confident90.3Very high29 Ų2957.7 Ų57.718%0.17629%0.289CS..Hα-helixtrans-64.2-39.1-172.3174.50000111R166 V169 N175 H176 L177R166-V173 HydrophobicContact CG-CG1 4.09Å; R166-V173 HydrophobicContact CG-CG2 4.14Å; V169-V173 HydrophobicContact CG2-CB 4.36Å; V169-V173 HydrophobicContact CG2-CG1 4.12Å; V169-V173 HydrophobicContact CG2-CG2 4.02Å; V173-N175 PolarHBondContact O-N 3.43Å; V173-N175 VanDerWaalsContact O-N 3.17Å; V173-H176 PolarHBondContact O-N 2.7Å; V173-H176 VanDerWaalsContact O-N 3.13Å; V173-L177 HydrophobicContact CG1-CB 3.96Å; V173-L177 HydrophobicContact CG1-CD2 3.9Å; V173-L177 WeakPolarHBondContact O-CB 3.1Å; V173-L177 PolarHBondContact O-N 3.06Å
174E85.1Confident90.6Very high139 Ų13954.3 Ų54.365%0.6528%0.279SS*.Hα-helixtrans-58.7-25.7-178.857.2-89.9-153.400114.2P172P172-E174 VanDerWaalsContact C-N 3.31Å; P172-E174 HydrophobicContact CB-CG 4.24Å; P172-E174 WeakPolarHBondContact CB-OE1 3.43Å; P172-E174 PolarHBondContact O-N 3.31Å
175N86.3Confident90.8Very high84 Ų8452.8 Ų52.845%0.44927%0.27SS..Hα-helixtrans-100-16179.6-63.2-9.6000112.9P172 V173 H178P172-N175 HydrophobicContact CG-CB 4.17Å; P172-N175 PolarHBondContact O-N 3.49Å; V173-N175 PolarHBondContact O-N 3.43Å; V173-N175 VanDerWaalsContact O-N 3.17Å; N175-H178 PolarHBondContact O-NE2 2.66Å
176H93.2Very high90.8Very high12 Ų1254.6 Ų54.66%0.05629%0.289CS..Hα-helixtrans-117.6-6.6-169.7-61162000113.1L153 V154 V169 T170 P171 P172 V173L153-H176 CarbonylContact C-O 3.47Å; L153-H176 WeakPolarHBondContact CA-O 3.4Å; L153-H176 HydrophobicContact CB-CB 4.47Å; L153-H176 HydrophobicContact CG-CB 3.96Å; V154-H176 PolarHBondContact N-O 2.73Å; V169-H176 HydrophobicContact CB-CB 4.32Å; T170-H176 WeakPolarHBondContact O-CB 3.44Å; T170-H176 PolarHBondContact O-ND1 2.96Å; P171-H176 PolarHBondContact O-CE1 2.81Å; P171-H176 PolarHBondContact O-ND1 2.85Å; P172-H176 PolarHBondContact O-N 2.69Å; P172-H176 PolarHBondContact O-ND1 2.84Å; V173-H176 PolarHBondContact O-N 2.7Å; V173-H176 VanDerWaalsContact O-N 3.13Å
177L95.4Very high91Very high14 Ų1453.5 Ų53.57%0.07329%0.293CS..EExtended strand (participates in β ladder)trans-124.6111.7176.3-179.857.7000110V154 Y162 L165 R166 V169 V173 F179V154-L177 HydrophobicContact CB-CD1 3.82Å; V154-L177 HydrophobicContact CG1-CD1 3.92Å; V154-L177 WeakPolarHBondContact O-CA 3.37Å; Y162-L177 HydrophobicContact CD2-CD2 4.26Å; Y162-L177 HydrophobicContact CE2-CD2 4.01Å; L165-L177 HydrophobicContact CB-CD1 3.74Å; L165-L177 HydrophobicContact CB-CD2 4.2Å; L165-L177 HydrophobicContact CD1-CD1 4.28Å; R166-L177 HydrophobicContact CB-CD2 4.25Å; V169-L177 HydrophobicContact CG1-CB 4.09Å; V169-L177 HydrophobicContact CG1-CD1 4.3Å; V169-L177 HydrophobicContact CG2-CB 4.2Å; V173-L177 HydrophobicContact CG1-CB 3.96Å; V173-L177 HydrophobicContact CG1-CD2 3.9Å; V173-L177 WeakPolarHBondContact O-CB 3.1Å; V173-L177 PolarHBondContact O-N 3.06Å; L177-F179 HydrophobicContact CD1-CD2 4.49Å; L177-F179 HydrophobicContact CD1-CE2 3.76Å; L177-F179 HydrophobicContact CD1-CZ 4.17Å; L177-F179 HydrophobicContact CD2-CE2 3.77Å; L177-F179 HydrophobicContact CD2-CZ 4.42Å; L177-F179 HydrophobicContact CG-CD2 4.25Å; L177-F179 HydrophobicContact CG-CE2 3.61Å; L177-F179 HydrophobicContact CG-CZ 4.43Å
178H95.1Very high91.2Very high22 Ų2249 Ų4910%0.10227%0.272CS..EExtended strand (participates in β ladder)trans-115.8133.1178.3-59.5-78.3000111.1V154 S156 N175 I188V154-H178 PolarHBondContact O-N 3.18Å; S156-H178 PolarHBondContact N-O 2.93Å; N175-H178 PolarHBondContact O-NE2 2.66Å; H178-I188 HydrophobicContact CB-CD1 3.67Å; H178-I188 HydrophobicContact CB-CG2 4.32Å
179F93.3Very high91.3Very high86 Ų8649.6 Ų49.638%0.37728%0.275SS..EExtended strand (participates in β ladder)trans-112.1121.3166.6-69-94.8000107.6S156 Y162 L165 L177S156-F179 WeakPolarHBondContact O-CA 3.23Å; Y162-F179 HydrophobicContact CD2-CD2 4.4Å; Y162-F179 AromaticContact CD2-CE2 3.52Å; Y162-F179 HydrophobicContact CD2-CE2 3.52Å; Y162-F179 AromaticContact CD2-CZ 3.9Å; Y162-F179 HydrophobicContact CD2-CZ 3.9Å; Y162-F179 HydrophobicContact CE2-CE2 4.15Å; L165-F179 HydrophobicContact CB-CZ 4.4Å; L165-F179 HydrophobicContact CD1-CE1 4.02Å; L165-F179 HydrophobicContact CD1-CZ 3.82Å; L177-F179 HydrophobicContact CD1-CD2 4.49Å; L177-F179 HydrophobicContact CD1-CE2 3.76Å; L177-F179 HydrophobicContact CD1-CZ 4.17Å; L177-F179 HydrophobicContact CD2-CE2 3.77Å; L177-F179 HydrophobicContact CD2-CZ 4.42Å; L177-F179 HydrophobicContact CG-CD2 4.25Å; L177-F179 HydrophobicContact CG-CE2 3.61Å; L177-F179 HydrophobicContact CG-CZ 4.43Å
180V93.4Very high91.2Very high21 Ų2155.7 Ų55.713%0.12730%0.301CS..  trans-147.3147.6-173.666.70000109.5V155 S156 T157 D184 M185 I188V155-V180 HydrophobicContact CG1-CG1 4.08Å; S156-V180 PolarHBondContact O-N 3.19Å; T157-V180 VanDerWaalsContact CA-O 3.26Å; T157-V180 WeakPolarHBondContact CA-O 3.42Å; V180-D184 VanDerWaalsContact CG2-C 3.46Å; V180-D184 HydrophobicContact CG2-CB 3.87Å; V180-D184 WeakPolarHBondContact CG2-O 3.45Å; V180-M185 HydrophobicContact CG1-CB 4.43Å; V180-M185 HydrophobicContact CG1-CG 3.84Å; V180-I188 HydrophobicContact CG1-CD1 4Å
181D92.8Very high91.5Very high89 Ų8958.6 Ų58.648%0.47632%0.316SS..  trans-63.6149.4169.1-165.3-68.8000109.8D183 D184 M185D181-D183 PolarHBondContact O-N 2.62Å; D181-D183 PolarHBondContact OD1-N 3.33Å; D181-D184 HydrophobicContact CB-CB 4.17Å; D181-D184 PolarHBondContact O-N 3.45Å; D181-M185 PolarHBondContact O-N 2.81Å
182I93.6Very high92.1Very high14 Ų1454 Ų547%0.07229%0.286CS..THydrogen-bonded Turntrans-58-32.2178.5-168.671.8000112.5Y33 E34 R37 M38 T157 D184 M185Y33-I182 HydrophobicContact CE1-CG2 4.3Å; E34-I182 HydrophobicContact CB-CD1 3.85Å; E34-I182 HydrophobicContact CB-CG1 3.97Å; E34-I182 HydrophobicContact CG-CB 4.23Å; E34-I182 HydrophobicContact CG-CD1 4.07Å; E34-I182 HydrophobicContact CG-CG1 3.75Å; E34-I182 HydrophobicContact CG-CG2 4.28Å; R37-I182 HydrophobicContact CB-CD1 3.89Å; R37-I182 HydrophobicContact CB-CG1 3.64Å; R37-I182 HydrophobicContact CG-CG1 4.06Å; M38-I182 HydrophobicContact CG-CD1 3.94Å; T157-I182 HydrophobicContact CG2-CD1 3.81Å; I182-D184 VanDerWaalsContact C-N 3.35Å; I182-M185 HydrophobicContact CD1-SD 3.81Å
183D93.7Very high92.6Very high75 Ų7553.5 Ų53.540%0.40128%0.278SS..THydrogen-bonded Turntrans-77.8-26.4179.7-69.7-25.6000112.1Y33 R37 D181Y33-D183 WeakPolarHBondContact CE1-OD1 3.49Å; Y33-D183 PolarHBondContact OH-OD1 2.94Å; R37-D183 IonicContact NE-OD1 3.93Å; R37-D183 PolarHBondContact NH2-O 3.01Å; D181-D183 PolarHBondContact O-N 2.62Å; D181-D183 PolarHBondContact OD1-N 3.33Å
184D94.3Very high92.8Very high85 Ų8555.5 Ų55.546%0.45529%0.287SS..THydrogen-bonded Turntrans-99.95.9-173.7-70.1-31.6000114.1V180 D181 I182 G186 I187V180-D184 VanDerWaalsContact CG2-C 3.46Å; V180-D184 HydrophobicContact CG2-CB 3.87Å; V180-D184 WeakPolarHBondContact CG2-O 3.45Å; D181-D184 HydrophobicContact CB-CB 4.17Å; D181-D184 PolarHBondContact O-N 3.45Å; I182-D184 VanDerWaalsContact C-N 3.35Å; D184-G186 PolarHBondContact O-N 3.05Å; D184-I187 HydrophobicContact CB-CD1 3.83Å; D184-I187 HydrophobicContact CB-CG1 4.4Å; D184-I187 WeakPolarHBondContact O-CB 3.2Å; D184-I187 VanDerWaalsContact O-CG1 3.29Å; D184-I187 WeakPolarHBondContact O-CG1 3.29Å; D184-I187 PolarHBondContact O-N 2.85Å
185M93.2Very high93Very high2 Ų249.3 Ų49.31%0.0126%0.26CS..G310 helixtrans-51.9-28.4179-67-172.182.200113.5M38 F41 L129 V155 T157 V180 D181 I182 I187 I188M38-M185 HydrophobicContact CG-CE 4.27Å; M38-M185 HydrophobicContact CG-SD 4.05Å; F41-M185 HydrophobicContact CB-CB 4.24Å; F41-M185 HydrophobicContact CB-CE 4.13Å; F41-M185 HydrophobicContact CB-SD 4.14Å; F41-M185 HydrophobicContact CD1-CE 3.52Å; F41-M185 HydrophobicContact CD2-CB 3.75Å; F41-M185 HydrophobicContact CD2-CE 4.37Å; F41-M185 WeakPolarHBondContact CD2-O 3.25Å; F41-M185 HydrophobicContact CE1-CE 3.95Å; F41-M185 HydrophobicContact CE2-CB 4.32Å; F41-M185 WeakPolarHBondContact CE2-O 3.17Å; F41-M185 HydrophobicContact CG-CB 4.06Å; F41-M185 HydrophobicContact CG-CE 3.74Å; F41-M185 HydrophobicContact CG-SD 4.3Å; L129-M185 HydrophobicContact CD2-CE 4.1Å; V155-M185 HydrophobicContact CG1-CE 3.68Å; T157-M185 HydrophobicContact CG2-CE 4.1Å; T157-M185 HydrophobicContact CG2-CG 4.18Å; T157-M185 HydrophobicContact CG2-SD 3.89Å; V180-M185 HydrophobicContact CG1-CB 4.43Å; V180-M185 HydrophobicContact CG1-CG 3.84Å; D181-M185 PolarHBondContact O-N 2.81Å; I182-M185 HydrophobicContact CD1-SD 3.81Å; M185-I187 PolarHBondContact O-N 3.08Å; M185-I187 VanDerWaalsContact O-N 3.13Å; M185-I188 WeakPolarHBondContact O-CG1 3.31Å; M185-I188 PolarHBondContact O-N 3.31Å
186G91.9Very high93.2Very high42 Ų4245.4 Ų45.443%0.43324%0.239SC..G310 helixtrans-57.3-24.7176.100000114.4D184 I188 T189D184-G186 PolarHBondContact O-N 3.05Å; G186-I188 VanDerWaalsContact C-N 3.34Å; G186-I188 PolarHBondContact O-N 2.93Å; G186-T189 WeakPolarHBondContact CA-OG1 3.27Å; G186-T189 PolarHBondContact O-N 2.89Å; G186-T189 PolarHBondContact O-OG1 3.38Å
187I93.8Very high92.8Very high119 Ų11945.2 Ų45.261%0.6124%0.238SC*.G310 helixtrans-64.7-38.9179.9-61.6177.2000111D184 M185D184-I187 HydrophobicContact CB-CD1 3.83Å; D184-I187 HydrophobicContact CB-CG1 4.4Å; D184-I187 WeakPolarHBondContact O-CB 3.2Å; D184-I187 VanDerWaalsContact O-CG1 3.29Å; D184-I187 WeakPolarHBondContact O-CG1 3.29Å; D184-I187 PolarHBondContact O-N 2.85Å; M185-I187 PolarHBondContact O-N 3.08Å; M185-I187 VanDerWaalsContact O-N 3.13Å
188I95.5Very high92.1Very high13 Ų1350.2 Ų50.27%0.06726%0.261CS..G310 helixtrans-91.1-3.8-175.663.4161.7000113.1F41 V155 H178 V180 M185 G186 K190 D191 L192F41-I188 HydrophobicContact CE2-CD1 4.41Å; F41-I188 HydrophobicContact CE2-CG1 3.96Å; F41-I188 HydrophobicContact CZ-CD1 4.09Å; F41-I188 HydrophobicContact CZ-CG1 4.09Å; V155-I188 HydrophobicContact CB-CD1 4.36Å; V155-I188 HydrophobicContact CG1-CD1 3.55Å; V155-I188 HydrophobicContact CG2-CD1 3.87Å; H178-I188 HydrophobicContact CB-CD1 3.67Å; H178-I188 HydrophobicContact CB-CG2 4.32Å; V180-I188 HydrophobicContact CG1-CD1 4Å; M185-I188 WeakPolarHBondContact O-CG1 3.31Å; M185-I188 PolarHBondContact O-N 3.31Å; G186-I188 VanDerWaalsContact C-N 3.34Å; G186-I188 PolarHBondContact O-N 2.93Å; I188-K190 VanDerWaalsContact C-N 3.26Å; I188-K190 PolarHBondContact O-N 3.37Å; I188-D191 PolarHBondContact O-N 2.99Å; I188-L192 WeakPolarHBondContact O-CB 3.24Å; I188-L192 PolarHBondContact O-N 3.26Å
189T95.8Very high91.5Very high11 Ų1150.4 Ų50.47%0.06726%0.263CS..Hα-helixtrans-54.4-43.8-174.9-59.90000111.9F41 E44 L45 G186 R193F41-T189 WeakPolarHBondContact CD2-OG1 3.19Å; F41-T189 VanDerWaalsContact CE2-OG1 3.28Å; F41-T189 WeakPolarHBondContact CE2-OG1 2.98Å; E44-T189 HydrophobicContact CB-CG2 4.38Å; L45-T189 HydrophobicContact CB-CG2 4.42Å; L45-T189 HydrophobicContact CD1-CG2 4.41Å; L45-T189 WeakPolarHBondContact CD1-O 3.22Å; G186-T189 WeakPolarHBondContact CA-OG1 3.27Å; G186-T189 PolarHBondContact O-N 2.89Å; G186-T189 PolarHBondContact O-OG1 3.38Å; T189-R193 WeakPolarHBondContact O-CB 3.46Å; T189-R193 PolarHBondContact O-N 3.5Å; T189-R193 VanDerWaalsContact O-N 3.13Å
190K91Very high91Very high133 Ų13346.7 Ų46.758%0.57825%0.247SC*.Hα-helixtrans-69.9-49.3179.5-177-179.2173.5-176.20111.5I188 L192 R193 D194I188-K190 VanDerWaalsContact C-N 3.26Å; I188-K190 PolarHBondContact O-N 3.37Å; K190-L192 PolarHBondContact O-N 2.75Å; K190-R193 WeakPolarHBondContact O-CB 3.47Å; K190-R193 PolarHBondContact O-N 3.35Å; K190-R193 VanDerWaalsContact O-N 3.16Å; K190-D194 WeakPolarHBondContact O-CB 3.39Å; K190-D194 PolarHBondContact O-N 2.6Å
191D92.8Very high89.9Confident92 Ų9248.3 Ų48.349%0.49225%0.252SS..Hα-helixtrans-62.8-43.6-176.1-62.8-15.7000111.3I188 R193 D194 A195I188-D191 PolarHBondContact O-N 2.99Å; D191-R193 VanDerWaalsContact C-N 3.34Å; D191-R193 PolarHBondContact O-N 2.87Å; D191-D194 PolarHBondContact O-N 3.19Å; D191-A195 WeakPolarHBondContact O-CB 3.4Å; D191-A195 PolarHBondContact O-N 2.79Å
192L96Very high88.1Confident0 Ų047 Ų470%025%0.253CS..Hα-helixtrans-64.9-39.4176-174.966.1000111.6F41 L45 V127 L153 V155 I188 K190 A195 I196F41-L192 HydrophobicContact CE1-CD2 3.83Å; F41-L192 HydrophobicContact CZ-CD2 3.58Å; L45-L192 HydrophobicContact CD1-CB 4.2Å; L45-L192 HydrophobicContact CD1-CD2 4.19Å; L45-L192 HydrophobicContact CD1-CG 4.23Å; L45-L192 HydrophobicContact CD2-CD2 3.86Å; L45-L192 HydrophobicContact CD2-CG 4.46Å; V127-L192 HydrophobicContact CG1-CD2 4.23Å; L153-L192 HydrophobicContact CB-CD1 4.21Å; L153-L192 HydrophobicContact CD2-CD1 3.53Å; V155-L192 HydrophobicContact CG2-CD1 4.34Å; V155-L192 HydrophobicContact CG2-CD2 3.63Å; I188-L192 WeakPolarHBondContact O-CB 3.24Å; I188-L192 PolarHBondContact O-N 3.26Å; K190-L192 PolarHBondContact O-N 2.75Å; L192-A195 PolarHBondContact O-N 3.47Å; L192-I196 HydrophobicContact CG-CD1 4.25Å; L192-I196 VanDerWaalsContact O-CG1 3.29Å; L192-I196 WeakPolarHBondContact O-CG1 3.44Å; L192-I196 PolarHBondContact O-N 2.78Å
193R94.8Very high86.4Confident42 Ų4249.8 Ų49.816%0.15827%0.266CS..Hα-helixtrans-61.7-47.9175.1-170.1-174.9-63.2140.9-1.6110.8E44 L45 P48 F49 T189 K190 D191 A195 I196 I197E44-R193 PolarHBondContact O-NH2 2.84Å; L45-R193 HydrophobicContact CD1-CB 3.81Å; L45-R193 PolarHBondContact O-NE 3.04Å; P48-R193 VanDerWaalsContact CG-CZ 3.46Å; F49-R193 HydrophobicContact CE2-CG 3.78Å; F49-R193 HydrophobicContact CZ-CG 3.91Å; T189-R193 WeakPolarHBondContact O-CB 3.46Å; T189-R193 PolarHBondContact O-N 3.5Å; T189-R193 VanDerWaalsContact O-N 3.13Å; K190-R193 WeakPolarHBondContact O-CB 3.47Å; K190-R193 PolarHBondContact O-N 3.35Å; K190-R193 VanDerWaalsContact O-N 3.16Å; D191-R193 VanDerWaalsContact C-N 3.34Å; D191-R193 PolarHBondContact O-N 2.87Å; R193-A195 VanDerWaalsContact C-N 3.3Å; R193-A195 PolarHBondContact O-N 3.36Å; R193-I196 PolarHBondContact O-N 3.24Å; R193-I197 HydrophobicContact CG-CD1 3.91Å; R193-I197 WeakPolarHBondContact O-CB 3.37Å; R193-I197 VanDerWaalsContact O-CG1 3.23Å; R193-I197 WeakPolarHBondContact O-CG1 3.42Å; R193-I197 PolarHBondContact O-N 2.81Å
194D87.4Confident85Confident70 Ų7050.1 Ų50.137%0.37426%0.262SS..Hα-helixtrans-62.8-39179.8-72.2-15.9000110.5K190 D191 I197 E198K190-D194 WeakPolarHBondContact O-CB 3.39Å; K190-D194 PolarHBondContact O-N 2.6Å; D191-D194 PolarHBondContact O-N 3.19Å; D194-I197 PolarHBondContact O-N 3.27Å; D194-E198 WeakPolarHBondContact O-CB 2.96Å; D194-E198 WeakPolarHBondContact O-CG 2.8Å; D194-E198 PolarHBondContact O-N 2.7Å
195A89.1Confident84.1Confident9 Ų946.3 Ų46.37%0.07424%0.241CC..Hα-helixtrans-62.3-46.3173.700000113L153 D191 L192 R193 I197 E198 I199L153-A195 HydrophobicContact CD2-CB 3.86Å; D191-A195 WeakPolarHBondContact O-CB 3.4Å; D191-A195 PolarHBondContact O-N 2.79Å; L192-A195 PolarHBondContact O-N 3.47Å; R193-A195 VanDerWaalsContact C-N 3.3Å; R193-A195 PolarHBondContact O-N 3.36Å; A195-I197 VanDerWaalsContact C-N 3.31Å; A195-I197 PolarHBondContact O-N 2.76Å; A195-E198 PolarHBondContact O-N 2.85Å; A195-I199 WeakPolarHBondContact O-CD1 3.39Å; A195-I199 WeakPolarHBondContact O-CG1 3.47Å; A195-I199 PolarHBondContact O-N 2.91Å
196I91.9Very high83.5Confident2 Ų250.4 Ų50.41%0.0126%0.26CS..Hα-helixtrans-59.4-44.9174.9-67.7164.7000110.2V20 L45 F49 V125 V127 L153 L192 R193 I199 I200V20-I196 HydrophobicContact CG2-CG2 3.97Å; L45-I196 HydrophobicContact CD2-CD1 4.12Å; F49-I196 HydrophobicContact CZ-CB 4.48Å; F49-I196 HydrophobicContact CZ-CG2 3.98Å; V125-I196 HydrophobicContact CG1-CG1 4.49Å; V127-I196 HydrophobicContact CG2-CD1 3.99Å; V127-I196 HydrophobicContact CG2-CG1 4.3Å; L153-I196 HydrophobicContact CD2-CG1 4.2Å; L192-I196 HydrophobicContact CG-CD1 4.25Å; L192-I196 VanDerWaalsContact O-CG1 3.29Å; L192-I196 WeakPolarHBondContact O-CG1 3.44Å; L192-I196 PolarHBondContact O-N 2.78Å; R193-I196 PolarHBondContact O-N 3.24Å; I196-I199 PolarHBondContact O-N 3.22Å; I196-I200 HydrophobicContact CG2-CD1 3.69Å; I196-I200 HydrophobicContact CG2-CG1 4.46Å; I196-I200 WeakPolarHBondContact O-CB 3.49Å; I196-I200 VanDerWaalsContact O-CG1 3.28Å; I196-I200 WeakPolarHBondContact O-CG1 3.27Å; I196-I200 PolarHBondContact O-N 2.77Å
197I84.3Confident83.3Confident9 Ų950.1 Ų50.15%0.04625%0.25CS..Hα-helixtrans-60.8-49.9177.6-70.7167.3000110.1L13 F49 R193 D194 A195 I199 I200 K201L13-I197 HydrophobicContact CD1-CD1 3.65Å; L13-I197 HydrophobicContact CD2-CD1 4.47Å; F49-I197 HydrophobicContact CE1-CD1 4.49Å; F49-I197 HydrophobicContact CE1-CG1 3.8Å; F49-I197 HydrophobicContact CZ-CD1 4.43Å; F49-I197 HydrophobicContact CZ-CG1 3.88Å; R193-I197 HydrophobicContact CG-CD1 3.91Å; R193-I197 WeakPolarHBondContact O-CB 3.37Å; R193-I197 VanDerWaalsContact O-CG1 3.23Å; R193-I197 WeakPolarHBondContact O-CG1 3.42Å; R193-I197 PolarHBondContact O-N 2.81Å; D194-I197 PolarHBondContact O-N 3.27Å; A195-I197 VanDerWaalsContact C-N 3.31Å; A195-I197 PolarHBondContact O-N 2.76Å; I197-I199 VanDerWaalsContact C-N 3.31Å; I197-I199 PolarHBondContact O-N 3.31Å; I197-I200 PolarHBondContact O-N 3.27Å; I197-K201 HydrophobicContact CG2-CD 3.67Å; I197-K201 HydrophobicContact CG2-CG 4.05Å; I197-K201 VanDerWaalsContact CG2-NZ 3.3Å; I197-K201 VanDerWaalsContact O-CB 3.31Å; I197-K201 WeakPolarHBondContact O-CB 3.4Å; I197-K201 WeakPolarHBondContact O-CG 3.13Å; I197-K201 PolarHBondContact O-N 2.82Å
198E80.7Confident83Confident118 Ų11851.5 Ų51.555%0.55125%0.248SC*.Hα-helixtrans-59.8-40.7-179.6-76.9-58.2123.100111.8D194 A195 K201 A202D194-E198 WeakPolarHBondContact O-CB 2.96Å; D194-E198 WeakPolarHBondContact O-CG 2.8Å; D194-E198 PolarHBondContact O-N 2.7Å; A195-E198 PolarHBondContact O-N 2.85Å; E198-K201 CarbonylContact O-C 3.55Å; E198-K201 PolarHBondContact O-N 2.65Å; E198-A202 VanDerWaalsContact O-CB 3.24Å; E198-A202 WeakPolarHBondContact O-CB 3.45Å; E198-A202 PolarHBondContact O-N 2.9Å
199I83.5Confident82.6Confident26 Ų2656.1 Ų56.113%0.13327%0.273CS..Hα-helixtrans-63.3-48.3174.9-69.6160.7000111.3V125 A151 L153 A195 I196 I197 K201 A202V125-I199 HydrophobicContact CG2-CB 4.38Å; V125-I199 HydrophobicContact CG2-CG2 3.68Å; A151-I199 HydrophobicContact CB-CD1 3.87Å; A151-I199 HydrophobicContact CB-CG1 4.34Å; A151-I199 HydrophobicContact CB-CG2 3.59Å; L153-I199 HydrophobicContact CD1-CD1 3.55Å; L153-I199 HydrophobicContact CD2-CD1 4.35Å; L153-I199 HydrophobicContact CG-CD1 4.35Å; A195-I199 WeakPolarHBondContact O-CD1 3.39Å; A195-I199 WeakPolarHBondContact O-CG1 3.47Å; A195-I199 PolarHBondContact O-N 2.91Å; I196-I199 PolarHBondContact O-N 3.22Å; I197-I199 VanDerWaalsContact C-N 3.31Å; I197-I199 PolarHBondContact O-N 3.31Å; I199-K201 PolarHBondContact O-N 3.5Å; I199-A202 PolarHBondContact O-N 3.49Å; I199-A202 VanDerWaalsContact O-N 3.08Å
200I82.2Confident82.5Confident9 Ų957.2 Ų57.25%0.04628%0.279CS..Hα-helixtrans-62.6-30.6177.8-68.7171.5000111C16 E17 V20 V56 P123 V125 I196 I197C16-I200 HydrophobicContact CB-CG2 3.89Å; E17-I200 VanDerWaalsContact O-CG2 3.31Å; E17-I200 WeakPolarHBondContact O-CG2 3.46Å; V20-I200 HydrophobicContact CG2-CD1 3.92Å; V56-I200 HydrophobicContact CG2-CD1 4.2Å; P123-I200 HydrophobicContact CB-CG1 4.4Å; V125-I200 HydrophobicContact CG2-CG1 4.25Å; I196-I200 HydrophobicContact CG2-CD1 3.69Å; I196-I200 HydrophobicContact CG2-CG1 4.46Å; I196-I200 WeakPolarHBondContact O-CB 3.49Å; I196-I200 VanDerWaalsContact O-CG1 3.28Å; I196-I200 WeakPolarHBondContact O-CG1 3.27Å; I196-I200 PolarHBondContact O-N 2.77Å; I197-I200 PolarHBondContact O-N 3.27Å
201K70.1Confident82.4Confident55 Ų5552.2 Ų52.224%0.23926%0.261CS..Hα-helixtrans-83.4-21.1174.7-67.4-174.4176.9159.20113.7C15 I197 E198 I199 E203 R204C15-K201 VanDerWaalsContact SG-CE 3.52Å; I197-K201 HydrophobicContact CG2-CD 3.67Å; I197-K201 HydrophobicContact CG2-CG 4.05Å; I197-K201 VanDerWaalsContact CG2-NZ 3.3Å; I197-K201 VanDerWaalsContact O-CB 3.31Å; I197-K201 WeakPolarHBondContact O-CB 3.4Å; I197-K201 WeakPolarHBondContact O-CG 3.13Å; I197-K201 PolarHBondContact O-N 2.82Å; E198-K201 CarbonylContact O-C 3.55Å; E198-K201 PolarHBondContact O-N 2.65Å; I199-K201 PolarHBondContact O-N 3.5Å; K201-E203 VanDerWaalsContact C-N 3.29Å; K201-E203 PolarHBondContact O-N 3.08Å; K201-R204 VanDerWaalsContact CG-CZ 3.4Å; K201-R204 WeakPolarHBondContact O-CB 3.36Å; K201-R204 WeakPolarHBondContact O-CD 3.44Å; K201-R204 WeakPolarHBondContact O-CG 3.39Å
202A54.2Low82.3Confident61 Ų6150.2 Ų50.250%0.50425%0.252SS..Hα-helixtrans-73-21.7-17300000112.8E198 I199 R204E198-A202 VanDerWaalsContact O-CB 3.24Å; E198-A202 WeakPolarHBondContact O-CB 3.45Å; E198-A202 PolarHBondContact O-N 2.9Å; I199-A202 PolarHBondContact O-N 3.49Å; I199-A202 VanDerWaalsContact O-N 3.08Å; A202-R204 PolarHBondContact O-N 3.38Å
203E58Low82.1Confident73 Ų7354 Ų5434%0.34127%0.272SS..SBendtrans-78.943172.1-58.3-166.6-172.100113.1P123 K201 R220P123-E203 WeakPolarHBondContact CA-OE1 3.4Å; P123-E203 HydrophobicContact CB-CG 4.3Å; P123-E203 HydrophobicContact CG-CB 3.94Å; P123-E203 HydrophobicContact CG-CG 3.86Å; K201-E203 VanDerWaalsContact C-N 3.29Å; K201-E203 PolarHBondContact O-N 3.08Å; E203-R220 IonicContact OE2-NH1 3.38Å; E203-R220 PolarHBondContact OE2-NH1 3.24Å; E203-R220 VanDerWaalsContact OE2-NH1 3.1Å
204R64.8Low82Confident81 Ų8152.1 Ų52.131%0.30627%0.266SS..SBendtrans-110.3172.4-173.1-81.5179.5-175.2-169.1-9.6114.9C15 K201 A202 H206 L280C15-R204 PolarHBondContact O-NH2 3.1Å; K201-R204 VanDerWaalsContact CG-CZ 3.4Å; K201-R204 WeakPolarHBondContact O-CB 3.36Å; K201-R204 WeakPolarHBondContact O-CD 3.44Å; K201-R204 WeakPolarHBondContact O-CG 3.39Å; A202-R204 PolarHBondContact O-N 3.38Å; R204-H206 PolarHBondContact O-CD2 2.98Å; R204-H206 PolarHBondContact O-N 3.27Å; R204-H206 PolarHBondContact O-NE2 2.92Å; R204-L280 HydrophobicContact CG-CD2 4.42Å
205L75.8Confident82.4Confident5 Ų548.8 Ų48.83%0.02625%0.248CC..  trans-53.2114.2169.9-178.667000111.6L217 H218 W219 V266 L268 L280 T282L205-L217 HydrophobicContact CD1-CB 3.96Å; L205-H218 CarbonylContact C-O 3.42Å; L205-W219 HydrophobicContact CD1-CB 4.04Å; L205-W219 HydrophobicContact CD1-CD2 4.44Å; L205-W219 HydrophobicContact CD1-CE3 3.79Å; L205-V266 HydrophobicContact CD2-CG1 3.95Å; L205-L268 HydrophobicContact CD1-CB 4.2Å; L205-L268 HydrophobicContact CD1-CD2 4.08Å; L205-L268 HydrophobicContact CD2-CB 3.86Å; L205-L280 HydrophobicContact CB-CB 3.99Å; L205-L280 HydrophobicContact CB-CD1 4.39Å; L205-T282 HydrophobicContact CD2-CG2 3.87Å; L205-T282 HydrophobicContact CG-CG2 4.11Å
206H80.4Confident82.6Confident89 Ų8949 Ų4941%0.41225%0.249SC..EExtended strand (participates in β ladder)trans-97.4141.7177.4-62.5-59.5000111.9R204 L217 H218R204-H206 PolarHBondContact O-CD2 2.98Å; R204-H206 PolarHBondContact O-N 3.27Å; R204-H206 PolarHBondContact O-NE2 2.92Å; H206-L217 CarbonylContact O-C 3.55Å; H206-L217 WeakPolarHBondContact O-CA 3.19Å; H206-H218 HydrophobicContact CB-CB 4.43Å; H206-H218 PolarHBondContact N-O 3.38Å; H206-H218 PolarHBondContact O-N 2.78Å
207V87.6Confident82.7Confident36 Ų3649 Ų4922%0.21825%0.249CC..EExtended strand (participates in β ladder)trans-106.8128.3170.6-167.70000109.3V210 A215 S216 L217 T282 F284V207-V210 HydrophobicContact CG1-CG2 3.84Å; V207-A215 HydrophobicContact CG1-CB 3.87Å; V207-S216 CarbonylContact C-O 3.5Å; V207-L217 HydrophobicContact CB-CD2 4.41Å; V207-L217 HydrophobicContact CG1-CD2 4.24Å; V207-L217 HydrophobicContact CG2-CD2 3.72Å; V207-T282 HydrophobicContact CG2-CG2 3.54Å; V207-F284 HydrophobicContact CB-CB 4.26Å; V207-F284 HydrophobicContact CB-CG 4.49Å; V207-F284 HydrophobicContact CG1-CB 3.94Å; V207-F284 HydrophobicContact CG1-CD1 3.91Å; V207-F284 HydrophobicContact CG1-CD2 4.2Å; V207-F284 HydrophobicContact CG1-CE1 4.48Å; V207-F284 HydrophobicContact CG1-CG 3.75Å; V207-F284 HydrophobicContact CG2-CB 4.22Å; V207-F284 HydrophobicContact CG2-CD1 4.04Å; V207-F284 HydrophobicContact CG2-CG 4.39Å
208R86.9Confident82.9Confident147 Ų14751.1 Ų51.156%0.55526%0.258SS*.EExtended strand (participates in β ladder)trans-133.5172179.8-62.5-172.5178.6-172.41.1110.3V210 S216R208-V210 PolarHBondContact O-N 3.01Å; R208-V210 VanDerWaalsContact O-N 3.11Å; R208-S216 PolarHBondContact N-O 2.85Å; R208-S216 PolarHBondContact O-N 2.77Å
209D88.6Confident83Confident111 Ų11146 Ų4659%0.59423%0.234SC*.  trans51.737.8173.8-50.3-45.3000114.7S211D209-S211 PolarHBondContact O-N 3.29Å
210V91.8Very high82.5Confident33 Ų3351 Ų5120%0.225%0.251CS..  trans-67.2117.2-179.7-174.90000109.8V207 R208 A215 F284 T285 K287V207-V210 HydrophobicContact CG1-CG2 3.84Å; R208-V210 PolarHBondContact O-N 3.01Å; R208-V210 VanDerWaalsContact O-N 3.11Å; V210-A215 HydrophobicContact CG2-CB 4.05Å; V210-F284 HydrophobicContact CG1-CD2 4.17Å; V210-F284 HydrophobicContact CG2-CD2 4.24Å; V210-T285 WeakPolarHBondContact CG1-O 3.24Å; V210-K287 WeakPolarHBondContact O-CD 3.43Å; V210-K287 WeakPolarHBondContact O-CE 3.43Å; V210-K287 PolarHBondContact O-NZ 2.99Å
211S89.9Confident81.9Confident28 Ų2852.9 Ų52.920%0.19626%0.264CS..  trans-101.6-166.5172.174.20000110.6D209 D213 S214 K287D209-S211 PolarHBondContact O-N 3.29Å; S211-D213 VanDerWaalsContact C-N 3.25Å; S211-D213 PolarHBondContact OG-N 3.11Å; S211-D213 PolarHBondContact OG-OD1 3.08Å; S211-S214 PolarHBondContact N-O 3.07Å; S211-S214 WeakPolarHBondContact OG-CA 3.32Å; S211-S214 WeakPolarHBondContact OG-CB 3.2Å; S211-S214 PolarHBondContact OG-N 2.83Å; S211-S214 PolarHBondContact OG-O 2.9Å; S211-S214 PolarHBondContact OG-OG 2.8Å; S211-K287 PolarHBondContact O-N 2.8Å
212T90.4Very high81.7Confident50 Ų5052.7 Ų52.731%0.30727%0.268SS..SBendtrans-72.1-19172.8470000113.4P260 K287 P288T212-P260 WeakPolarHBondContact O-CA 3.43Å; T212-P260 WeakPolarHBondContact O-CG 3.42Å; T212-K287 WeakPolarHBondContact CA-O 3.21Å; T212-K287 HydrophobicContact CG2-CB 4.02Å; T212-P288 WeakPolarHBondContact CG2-O 3.47Å
213D91.4Very high82.2Confident80 Ų8049.8 Ų49.843%0.42824%0.244SC..SBendtrans-146.21.9-16762.4-15.3000113.8S211 T256 D257 L258S211-D213 VanDerWaalsContact C-N 3.25Å; S211-D213 PolarHBondContact OG-N 3.11Å; S211-D213 PolarHBondContact OG-OD1 3.08Å; D213-T256 CarbonylContact O-C 3.48Å; D213-D257 PolarHBondContact O-N 3.04Å; D213-D257 VanDerWaalsContact O-N 3.14Å; D213-L258 WeakPolarHBondContact CA-O 3.5Å; D213-L258 WeakPolarHBondContact O-CB 3.4Å; D213-L258 WeakPolarHBondContact O-CG 3.47Å; D213-L258 PolarHBondContact O-N 3.18Å
214S93.7Very high82.3Confident3 Ų349.3 Ų49.32%0.02125%0.248CC..  trans-150.4159.1-177.375.30000111.7S211 R254 L255S211-S214 PolarHBondContact N-O 3.07Å; S211-S214 WeakPolarHBondContact OG-CA 3.32Å; S211-S214 WeakPolarHBondContact OG-CB 3.2Å; S211-S214 PolarHBondContact OG-N 2.83Å; S211-S214 PolarHBondContact OG-O 2.9Å; S211-S214 PolarHBondContact OG-OG 2.8Å; S214-R254 PolarHBondContact OG-NE 3.39Å; S214-R254 PolarHBondContact OG-NH2 3.07Å; S214-L255 CarbonylContact C-O 3.47Å; S214-L255 WeakPolarHBondContact CA-O 3.43Å; S214-L255 WeakPolarHBondContact CB-O 3.36Å
215A94.9Very high82.3Confident0 Ų048.9 Ų48.90%027%0.269CS..EExtended strand (participates in β ladder)trans-153.6147.717200000110.1V207 V210 L255 L258 F284V207-A215 HydrophobicContact CG1-CB 3.87Å; V210-A215 HydrophobicContact CG2-CB 4.05Å; A215-L255 PolarHBondContact N-O 3.39Å; A215-L255 PolarHBondContact O-N 3.44Å; A215-L258 HydrophobicContact CB-CD1 4.25Å; A215-F284 HydrophobicContact CB-CD2 3.91Å; A215-F284 HydrophobicContact CB-CE1 4.33Å; A215-F284 HydrophobicContact CB-CE2 3.33Å; A215-F284 HydrophobicContact CB-CZ 3.58Å
216S94.3Very high81.8Confident14 Ų1450.4 Ų50.410%0.09828%0.277CS..EExtended strand (participates in β ladder)trans-104116.6179.8-60.10000110.7V207 R208 H218 V253V207-S216 CarbonylContact C-O 3.5Å; R208-S216 PolarHBondContact N-O 2.85Å; R208-S216 PolarHBondContact O-N 2.77Å; S216-H218 PolarHBondContact O-ND1 3.42Å; S216-V253 CarbonylContact C-O 3.6Å; S216-V253 WeakPolarHBondContact CA-O 3.45Å
217L93.5Very high81.7Confident0 Ų049.6 Ų49.60%028%0.281CS..EExtended strand (participates in β ladder)trans-84.4143170.8-49.5175.3000110.1L205 H206 V207 W219 I232 S252 V253 L255 V266L205-L217 HydrophobicContact CD1-CB 3.96Å; H206-L217 CarbonylContact O-C 3.55Å; H206-L217 WeakPolarHBondContact O-CA 3.19Å; V207-L217 HydrophobicContact CB-CD2 4.41Å; V207-L217 HydrophobicContact CG1-CD2 4.24Å; V207-L217 HydrophobicContact CG2-CD2 3.72Å; L217-W219 HydrophobicContact CB-CE3 4.27Å; L217-W219 HydrophobicContact CB-CZ3 4.03Å; L217-I232 HydrophobicContact CD1-CG1 4.5Å; L217-I232 HydrophobicContact CD1-CG2 3.65Å; L217-S252 CarbonylContact O-C 3.51Å; L217-S252 WeakPolarHBondContact O-CA 3.38Å; L217-S252 WeakPolarHBondContact O-CB 3.24Å; L217-V253 HydrophobicContact CB-CG1 4.08Å; L217-V253 HydrophobicContact CD1-CG1 3.91Å; L217-V253 HydrophobicContact CG-CG1 4.28Å; L217-V253 PolarHBondContact N-O 2.92Å; L217-V253 PolarHBondContact O-N 2.85Å; L217-L255 HydrophobicContact CD1-CD1 3.99Å; L217-L255 HydrophobicContact CD1-CD2 4Å; L217-L255 HydrophobicContact CD1-CG 4.09Å; L217-L255 HydrophobicContact CD2-CD1 4.15Å; L217-L255 HydrophobicContact CG-CD1 4.05Å; L217-L255 HydrophobicContact CG-CD2 4.48Å; L217-L255 HydrophobicContact CG-CG 4.08Å; L217-V266 HydrophobicContact CD1-CG1 3.55Å; L217-V266 HydrophobicContact CD2-CG1 4.08Å; L217-V266 HydrophobicContact CD2-CG2 4.33Å; L217-V266 HydrophobicContact CG-CG1 4.47Å
218H87.7Confident81.7Confident54 Ų5449.4 Ų49.425%0.2529%0.287CS..EExtended strand (participates in β ladder)trans-137.1137.9177.2-64.178.3000109.3L205 H206 S216 N251L205-H218 CarbonylContact C-O 3.42Å; H206-H218 HydrophobicContact CB-CB 4.43Å; H206-H218 PolarHBondContact N-O 3.38Å; H206-H218 PolarHBondContact O-N 2.78Å; S216-H218 PolarHBondContact O-ND1 3.42Å; H218-N251 CarbonylContact C-O 3.17Å; H218-N251 WeakPolarHBondContact CA-O 3.43Å
219W82.8Confident81.9Confident12 Ų1244.8 Ų44.85%0.04527%0.271CS..  trans-145.7164.4-179.558.794.6000110.8L205 L217 Y230 I232 L250 N251 S252 V253 L268L205-W219 HydrophobicContact CD1-CB 4.04Å; L205-W219 HydrophobicContact CD1-CD2 4.44Å; L205-W219 HydrophobicContact CD1-CE3 3.79Å; L217-W219 HydrophobicContact CB-CE3 4.27Å; L217-W219 HydrophobicContact CB-CZ3 4.03Å; W219-Y230 AromaticContact CD1-CE1 3.96Å; W219-Y230 AromaticContact CD1-CZ 3.85Å; W219-Y230 AromaticContact CZ2-CD2 3.95Å; W219-Y230 HydrophobicContact CZ2-CD2 3.95Å; W219-Y230 HydrophobicContact CZ2-CE2 4.45Å; W219-Y230 HydrophobicContact CZ2-CG 4.2Å; W219-Y230 AromaticContact NE1-CD1 3.92Å; W219-Y230 AromaticContact NE1-CD2 3.58Å; W219-Y230 AromaticContact NE1-CE1 3.67Å; W219-Y230 AromaticContact NE1-CE2 3.31Å; W219-Y230 VanDerWaalsContact NE1-CE2 3.31Å; W219-Y230 AromaticContact NE1-CG 3.88Å; W219-Y230 AromaticContact NE1-CZ 3.36Å; W219-I232 HydrophobicContact CH2-CD1 4.43Å; W219-L250 HydrophobicContact CZ2-CB 4.47Å; W219-L250 PolarHBondContact NE1-O 3.2Å; W219-L250 VanDerWaalsContact NE1-O 3.12Å; W219-N251 PolarHBondContact N-O 3.06Å; W219-N251 WeakPolarHBondContact O-CB 3.24Å; W219-S252 VanDerWaalsContact CZ3-CA 3.5Å; W219-V253 HydrophobicContact CH2-CB 3.88Å; W219-V253 HydrophobicContact CH2-CG1 3.76Å; W219-V253 HydrophobicContact CZ3-CB 4.11Å; W219-V253 HydrophobicContact CZ3-CG1 3.63Å; W219-L268 HydrophobicContact CB-CD2 3.64Å; W219-L268 HydrophobicContact CD2-CD1 4.2Å; W219-L268 HydrophobicContact CD2-CD2 3.68Å; W219-L268 HydrophobicContact CE3-CD1 4.38Å; W219-L268 HydrophobicContact CE3-CD2 4.24Å; W219-L268 HydrophobicContact CG-CD2 3.39Å; W219-L268 HydrophobicContact CZ2-CD1 4.35Å
220R74Confident82Confident129 Ų12939.5 Ų39.549%0.48724%0.243SC..  trans-73.4131.4171-173.4-178.8179.7172.12.1109.6G121 E203 V222G121-R220 PolarHBondContact O-NH1 2.98Å; G121-R220 VanDerWaalsContact O-NH1 3.16Å; E203-R220 IonicContact OE2-NH1 3.38Å; E203-R220 PolarHBondContact OE2-NH1 3.24Å; E203-R220 VanDerWaalsContact OE2-NH1 3.1Å; R220-V222 VanDerWaalsContact C-N 3.34Å; R220-V222 PolarHBondContact O-N 3.24Å
221P70Confident82.2Confident49 Ų4938 Ų3832%0.31823%0.234SC..  trans-77.680.7-175.932.1-35.7000111.9L223 S224 Y230 N251P221-L223 VanDerWaalsContact C-N 3.28Å; P221-L223 PolarHBondContact O-N 3.4Å; P221-S224 WeakPolarHBondContact CB-OG 3.31Å; P221-S224 PolarHBondContact O-OG 3.11Å; P221-Y230 VanDerWaalsContact C-OH 3.32Å; P221-Y230 WeakPolarHBondContact CA-OH 3.32Å; P221-N251 HydrophobicContact CB-CB 4.11Å; P221-N251 HydrophobicContact CG-CB 4.25Å
222V65.5Low82.4Confident52 Ų5236.7 Ų36.732%0.31522%0.224SC..THydrogen-bonded Turntrans-70.1-13.2177.5-61.10000115.4R220 Y230 P270 F277R220-V222 VanDerWaalsContact C-N 3.34Å; R220-V222 PolarHBondContact O-N 3.24Å; V222-Y230 HydrophobicContact CG2-CE1 3.89Å; V222-Y230 WeakPolarHBondContact CG2-OH 3.32Å; V222-Y230 PolarHBondContact N-OH 3.41Å; V222-P270 HydrophobicContact CG2-CB 4.04Å; V222-P270 HydrophobicContact CG2-CG 3.97Å; V222-F277 HydrophobicContact CB-CD1 4.19Å; V222-F277 HydrophobicContact CB-CE1 3.89Å; V222-F277 HydrophobicContact CG2-CD1 4.01Å; V222-F277 HydrophobicContact CG2-CE1 4.11Å
223L64Low82.6Confident0 Ų039.7 Ų39.70%023%0.23CC..THydrogen-bonded Turntrans-101.25.7179.4-61.7-179.7000113.2P221 G225 L226 H229 Y230 A248 P270 F277P221-L223 VanDerWaalsContact C-N 3.28Å; P221-L223 PolarHBondContact O-N 3.4Å; L223-G225 PolarHBondContact O-N 2.79Å; L223-G225 VanDerWaalsContact O-N 3.14Å; L223-L226 HydrophobicContact CD2-CD1 4.39Å; L223-L226 PolarHBondContact O-N 3.33Å; L223-H229 VanDerWaalsContact CD1-C 3.49Å; L223-H229 VanDerWaalsContact CD1-O 3.28Å; L223-H229 WeakPolarHBondContact CD1-O 3.11Å; L223-Y230 HydrophobicContact CB-CE2 4.14Å; L223-Y230 HydrophobicContact CD1-CD1 3.89Å; L223-Y230 HydrophobicContact CD1-CD2 4.17Å; L223-Y230 HydrophobicContact CD1-CE1 3.71Å; L223-Y230 HydrophobicContact CD1-CE2 4Å; L223-Y230 HydrophobicContact CD1-CG 4.11Å; L223-Y230 HydrophobicContact CG-CD1 4.47Å; L223-Y230 HydrophobicContact CG-CE1 3.79Å; L223-Y230 HydrophobicContact CG-CE2 4.23Å; L223-Y230 PolarHBondContact N-OH 2.99Å; L223-A248 HydrophobicContact CB-CB 3.56Å; L223-A248 HydrophobicContact CD1-CB 4.23Å; L223-P270 HydrophobicContact CD1-CB 3.96Å; L223-P270 HydrophobicContact CD2-CB 4.05Å; L223-P270 HydrophobicContact CG-CB 4.01Å; L223-F277 HydrophobicContact CD2-CD2 3.76Å; L223-F277 HydrophobicContact CD2-CE2 3.32Å; L223-F277 HydrophobicContact CD2-CZ 3.89Å
224S60Low82.7Confident63 Ų6336.1 Ų36.144%0.44121%0.211SC..THydrogen-bonded Turntrans-61118179.3-73.90000111.1P221 L226P221-S224 WeakPolarHBondContact CB-OG 3.31Å; P221-S224 PolarHBondContact O-OG 3.11Å; S224-L226 VanDerWaalsContact C-N 3.33Å
225G65.4Low82.7Confident71 Ų7136.1 Ų36.173%0.73221%0.212SC*.THydrogen-bonded Turntrans86.7-2-17900000114.9L223L223-G225 PolarHBondContact O-N 2.79Å; L223-G225 VanDerWaalsContact O-N 3.14Å
226L64.5Low82.5Confident38 Ų3837.6 Ų37.620%0.19922%0.22CC..SBendtrans-100.8155173.7-59.1177.1000111L223 S224 G228 E274 I275 F277L223-L226 HydrophobicContact CD2-CD1 4.39Å; L223-L226 PolarHBondContact O-N 3.33Å; S224-L226 VanDerWaalsContact C-N 3.33Å; L226-G228 PolarHBondContact O-N 2.87Å; L226-E274 WeakPolarHBondContact CD2-OE2 3.35Å; L226-I275 HydrophobicContact CD1-CD1 4.1Å; L226-F277 HydrophobicContact CD1-CE2 4.04Å; L226-F277 HydrophobicContact CD1-CZ 3.68Å
227S79.1Confident81.6Confident72 Ų7242.8 Ų42.850%0.50326%0.257SS..SBendtrans-77.3117.7166.9-63.20000109.3S272 N273S227-S272 WeakPolarHBondContact O-CA 3.26Å; S227-S272 WeakPolarHBondContact O-CB 3.39Å; S227-S272 PolarHBondContact O-OG 2.87Å; S227-N273 WeakPolarHBondContact CB-OD1 3.19Å; S227-N273 PolarHBondContact O-OD1 3.27Å
228G86.9Confident80.3Confident32 Ų3246.9 Ų46.933%0.3330%0.299SS..EExtended strand (participates in β ladder)trans173.2-175.8-175.200000115.1L226 A248 E271L226-G228 PolarHBondContact O-N 2.87Å; G228-A248 WeakPolarHBondContact O-CB 3.38Å; G228-E271 CarbonylContact C-O 3.53Å; G228-E271 WeakPolarHBondContact CA-O 3.37Å
229H92.2Very high79.6Confident49 Ų4947.5 Ų47.523%0.22731%0.309CS..EExtended strand (participates in β ladder)trans-151.7161.2173.667.2-79.3000111.2L223 I245 Q246 E271L223-H229 VanDerWaalsContact CD1-C 3.49Å; L223-H229 VanDerWaalsContact CD1-O 3.28Å; L223-H229 WeakPolarHBondContact CD1-O 3.11Å; H229-I245 HydrophobicContact CB-CG2 4.09Å; H229-I245 VanDerWaalsContact CD2-CG2 3.45Å; H229-I245 WeakPolarHBondContact CD2-CG2 3.43Å; H229-Q246 WeakPolarHBondContact CA-O 3.44Å; H229-Q246 WeakPolarHBondContact CB-O 3.48Å; H229-E271 IonicContact CE1-OE2 2.99Å; H229-E271 PolarHBondContact CE1-OE2 3.16Å; H229-E271 PolarHBondContact N-O 2.8Å; H229-E271 IonicContact NE2-OE2 3.53Å; H229-E271 PolarHBondContact NE2-OE2 3.44Å; H229-E271 PolarHBondContact O-N 3.01Å
230Y90.9Very high79.5Confident0 Ų055.9 Ų55.90%035%0.349CS..EExtended strand (participates in β ladder)trans-95.9125.6170.8-68.1-70.8000110W219 P221 V222 L223 I245 Q246 S247 L250 L268 P270W219-Y230 AromaticContact CD1-CE1 3.96Å; W219-Y230 AromaticContact CD1-CZ 3.85Å; W219-Y230 AromaticContact CZ2-CD2 3.95Å; W219-Y230 HydrophobicContact CZ2-CD2 3.95Å; W219-Y230 HydrophobicContact CZ2-CE2 4.45Å; W219-Y230 HydrophobicContact CZ2-CG 4.2Å; W219-Y230 AromaticContact NE1-CD1 3.92Å; W219-Y230 AromaticContact NE1-CD2 3.58Å; W219-Y230 AromaticContact NE1-CE1 3.67Å; W219-Y230 AromaticContact NE1-CE2 3.31Å; W219-Y230 VanDerWaalsContact NE1-CE2 3.31Å; W219-Y230 AromaticContact NE1-CG 3.88Å; W219-Y230 AromaticContact NE1-CZ 3.36Å; P221-Y230 VanDerWaalsContact C-OH 3.32Å; P221-Y230 WeakPolarHBondContact CA-OH 3.32Å; V222-Y230 HydrophobicContact CG2-CE1 3.89Å; V222-Y230 WeakPolarHBondContact CG2-OH 3.32Å; V222-Y230 PolarHBondContact N-OH 3.41Å; L223-Y230 HydrophobicContact CB-CE2 4.14Å; L223-Y230 HydrophobicContact CD1-CD1 3.89Å; L223-Y230 HydrophobicContact CD1-CD2 4.17Å; L223-Y230 HydrophobicContact CD1-CE1 3.71Å; L223-Y230 HydrophobicContact CD1-CE2 4Å; L223-Y230 HydrophobicContact CD1-CG 4.11Å; L223-Y230 HydrophobicContact CG-CD1 4.47Å; L223-Y230 HydrophobicContact CG-CE1 3.79Å; L223-Y230 HydrophobicContact CG-CE2 4.23Å; L223-Y230 PolarHBondContact N-OH 2.99Å; Y230-I245 CarbonylContact O-C 3.53Å; Y230-I245 WeakPolarHBondContact O-CA 3.37Å; Y230-Q246 PolarHBondContact N-O 3.13Å; Y230-Q246 PolarHBondContact O-N 3.45Å; Y230-S247 WeakPolarHBondContact CD2-O 3.39Å; Y230-L250 VanDerWaalsContact CE2-O 3.24Å; Y230-L250 WeakPolarHBondContact CE2-O 3.4Å; Y230-L268 HydrophobicContact CD1-CD1 3.83Å; Y230-L268 HydrophobicContact CD1-CD2 4.23Å; Y230-L268 HydrophobicContact CD1-CG 4.13Å; Y230-L268 HydrophobicContact CE1-CD2 4.49Å; Y230-L268 HydrophobicContact CG-CD1 4.04Å; Y230-P270 HydrophobicContact CD1-CB 3.87Å; Y230-P270 HydrophobicContact CD1-CG 4.11Å; Y230-P270 HydrophobicContact CE1-CB 3.7Å; Y230-P270 HydrophobicContact CE1-CG 3.94Å
231E94.8Very high80Confident2 Ų255.6 Ų55.61%0.00935%0.349CS..EExtended strand (participates in β ladder)trans-98.4119167.5173.5168.116400110.2R233 R243 L244 L268 I269E231-R233 HydrophobicContact CG-CG 4.31Å; E231-R233 IonicContact OE1-CZ 3.13Å; E231-R233 IonicContact OE1-NE 2.67Å; E231-R233 PolarHBondContact OE1-NE 3.24Å; E231-R233 IonicContact OE1-NH2 2.75Å; E231-R233 PolarHBondContact OE1-NH2 3.22Å; E231-R233 IonicContact OE2-NH2 3.97Å; E231-R243 HydrophobicContact CG-CG 4.1Å; E231-R243 WeakPolarHBondContact OE1-CD 3.32Å; E231-R243 IonicContact OE1-CZ 3.4Å; E231-R243 IonicContact OE1-NE 3.05Å; E231-R243 PolarHBondContact OE1-NE 2.68Å; E231-R243 IonicContact OE2-CZ 2.68Å; E231-R243 IonicContact OE2-NE 3.66Å; E231-R243 PolarHBondContact OE2-NE 3.13Å; E231-R243 IonicContact OE2-NH2 2.71Å; E231-R243 PolarHBondContact OE2-NH2 3.2Å; E231-L244 CarbonylContact C-O 3.59Å; E231-L244 WeakPolarHBondContact CA-O 3.11Å; E231-L268 CarbonylContact O-C 3.6Å; E231-I269 HydrophobicContact CB-CB 4.25Å; E231-I269 HydrophobicContact CG-CD1 4.45Å; E231-I269 PolarHBondContact N-O 3.49Å; E231-I269 PolarHBondContact O-N 2.9Å
232I94.7Very high81Confident0 Ų057.9 Ų57.90%036%0.355CS..EExtended strand (participates in β ladder)trans-103.3125.2174.3-5892.4000109L217 W219 F234 R243 L244 Q246 V253 L255 V266 S267 L268L217-I232 HydrophobicContact CD1-CG1 4.5Å; L217-I232 HydrophobicContact CD1-CG2 3.65Å; W219-I232 HydrophobicContact CH2-CD1 4.43Å; I232-F234 HydrophobicContact CG2-CD1 4.4Å; I232-R243 CarbonylContact O-C 3.59Å; I232-R243 WeakPolarHBondContact O-CA 3.47Å; I232-L244 HydrophobicContact CB-CB 4.16Å; I232-L244 PolarHBondContact N-O 3.47Å; I232-L244 PolarHBondContact O-N 2.89Å; I232-Q246 HydrophobicContact CD1-CB 4.04Å; I232-Q246 HydrophobicContact CD1-CG 3.54Å; I232-V253 HydrophobicContact CD1-CG1 4.18Å; I232-V253 HydrophobicContact CG1-CG1 4.26Å; I232-L255 HydrophobicContact CG2-CD2 4.42Å; I232-V266 HydrophobicContact CG2-CG1 3.9Å; I232-S267 CarbonylContact C-O 3.54Å; I232-S267 WeakPolarHBondContact CA-O 3.34Å; I232-L268 HydrophobicContact CD1-CD1 3.98Å; I232-L268 HydrophobicContact CG1-CD1 3.56Å
233R93.9Very high82.3Confident114 Ų11462.6 Ų62.643%0.4337%0.367SS..EExtended strand (participates in β ladder)trans-112.8127.1171.5-63.8-177.1-178.9168.77.3109.9E231 Q242 V266 S267 I269E231-R233 HydrophobicContact CG-CG 4.31Å; E231-R233 IonicContact OE1-CZ 3.13Å; E231-R233 IonicContact OE1-NE 2.67Å; E231-R233 PolarHBondContact OE1-NE 3.24Å; E231-R233 IonicContact OE1-NH2 2.75Å; E231-R233 PolarHBondContact OE1-NH2 3.22Å; E231-R233 IonicContact OE2-NH2 3.97Å; R233-Q242 CarbonylContact C-O 3.54Å; R233-Q242 VanDerWaalsContact CA-O 3.27Å; R233-Q242 WeakPolarHBondContact CA-O 3.44Å; R233-V266 CarbonylContact O-C 3.46Å; R233-V266 VanDerWaalsContact O-CA 3.31Å; R233-V266 WeakPolarHBondContact O-CA 3.09Å; R233-S267 PolarHBondContact N-O 3.16Å; R233-S267 PolarHBondContact O-N 3.14Å; R233-I269 HydrophobicContact CG-CD1 4.39Å
234F94Very high83.8Confident4 Ų465.1 Ų65.12%0.01838%0.381CS..EExtended strand (participates in β ladder)trans-141.9142.7178.467.4-77.6000113.3I232 Y241 Q242 L244 L255 L258 Y264 S265 V266I232-F234 HydrophobicContact CG2-CD1 4.4Å; F234-Y241 VanDerWaalsContact C-CD1 3.47Å; F234-Y241 CarbonylContact O-C 3.42Å; F234-Y241 WeakPolarHBondContact O-CA 3.44Å; F234-Q242 HydrophobicContact CD1-CB 4.05Å; F234-Q242 HydrophobicContact CD2-CB 4.4Å; F234-Q242 HydrophobicContact CE1-CB 3.54Å; F234-Q242 HydrophobicContact CE2-CB 3.97Å; F234-Q242 HydrophobicContact CE2-CG 4.28Å; F234-Q242 HydrophobicContact CG-CB 4.45Å; F234-Q242 HydrophobicContact CZ-CB 3.53Å; F234-Q242 HydrophobicContact CZ-CG 4.16Å; F234-Q242 PolarHBondContact N-O 3.22Å; F234-Q242 PolarHBondContact O-N 2.77Å; F234-L244 HydrophobicContact CD1-CD1 4.22Å; F234-L244 HydrophobicContact CE1-CD1 3.42Å; F234-L244 VanDerWaalsContact CE1-CD1 3.42Å; F234-L244 HydrophobicContact CE1-CG 4.08Å; F234-L244 HydrophobicContact CZ-CD1 4.12Å; F234-L255 HydrophobicContact CB-CD1 4.23Å; F234-L255 HydrophobicContact CD1-CD1 4.42Å; F234-L255 HydrophobicContact CD1-CD2 3.91Å; F234-L255 HydrophobicContact CD2-CD1 4.11Å; F234-L255 HydrophobicContact CE1-CD2 3.91Å; F234-L255 HydrophobicContact CG-CD1 3.99Å; F234-L255 HydrophobicContact CG-CD2 4.31Å; F234-L255 HydrophobicContact CZ-CD2 4.28Å; F234-L258 HydrophobicContact CD2-CD2 4Å; F234-L258 HydrophobicContact CE2-CD2 3.65Å; F234-Y264 HydrophobicContact CD2-CD1 4.23Å; F234-S265 CarbonylContact C-O 3.59Å; F234-S265 WeakPolarHBondContact CA-O 3.36Å; F234-V266 HydrophobicContact CB-CB 4.37Å; F234-V266 HydrophobicContact CB-CG1 4.33Å; F234-V266 HydrophobicContact CB-CG2 3.85Å
235G93.1Very high85.4Confident4 Ų466.4 Ų66.44%0.04138%0.381CS..EExtended strand (participates in β ladder)trans-176.1168.8-17500000113.3S265G235-S265 PolarHBondContact N-O 2.76Å; G235-S265 PolarHBondContact O-N 3.02Å
236T91.9Very high86.8Confident30 Ų3065 Ų6518%0.18436%0.356CS..  trans-91.4153.9176.8610000110.4G238 S239 T262 Y264T236-G238 PolarHBondContact O-N 3.32Å; T236-G238 VanDerWaalsContact O-N 3.08Å; T236-S239 PolarHBondContact O-N 3.48Å; T236-S239 VanDerWaalsContact OG1-CB 3.32Å; T236-S239 WeakPolarHBondContact OG1-CB 3.36Å; T236-S239 PolarHBondContact OG1-OG 3.44Å; T236-S239 VanDerWaalsContact OG1-OG 3.12Å; T236-T262 HydrophobicContact CG2-CG2 3.37Å; T236-Y264 HydrophobicContact CG2-CD1 4.05Å; T236-Y264 HydrophobicContact CG2-CE1 3.82Å; T236-Y264 HydrophobicContact CG2-CE2 4.3Å; T236-Y264 HydrophobicContact CG2-CG 4.39Å
237S74.6Confident88Confident124 Ų12466.4 Ų66.487%0.86737%0.369SS*.THydrogen-bonded Turntrans-53.4118.3176.6-167.20000110.6
238G66Low88.3Confident85 Ų8563.1 Ų63.188%0.87635%0.346SS*.THydrogen-bonded Turntrans87.93-178.500000117T236T236-G238 PolarHBondContact O-N 3.32Å; T236-G238 VanDerWaalsContact O-N 3.08Å
239S73.4Confident87.9Confident67 Ų6767.4 Ų67.447%0.46936%0.358SS..SBendtrans-108.3162173.3-680000112.5T236T236-S239 PolarHBondContact O-N 3.48Å; T236-S239 VanDerWaalsContact OG1-CB 3.32Å; T236-S239 WeakPolarHBondContact OG1-CB 3.36Å; T236-S239 PolarHBondContact OG1-OG 3.44Å; T236-S239 VanDerWaalsContact OG1-OG 3.12Å
240Q80.1Confident87.6Confident189 Ų18968.3 Ų68.388%0.88336%0.364SS*.PPolyproline II helixtrans-64.6134.5170.6-76-165.8-22.800110.5
241Y84.6Confident87.3Confident122 Ų12272 Ų7248%0.47838%0.384SS..PPolyproline II helixtrans-72.4132175.3-71.2-91.2000110.1F234F234-Y241 VanDerWaalsContact C-CD1 3.47Å; F234-Y241 CarbonylContact O-C 3.42Å; F234-Y241 WeakPolarHBondContact O-CA 3.44Å
242Q90.8Very high87.1Confident97 Ų9774 Ų7445%0.45340%0.397SS..EExtended strand (participates in β ladder)trans-74.2146.1166.1-62.1-172.627.900109.6R233 F234R233-Q242 CarbonylContact C-O 3.54Å; R233-Q242 VanDerWaalsContact CA-O 3.27Å; R233-Q242 WeakPolarHBondContact CA-O 3.44Å; F234-Q242 HydrophobicContact CD1-CB 4.05Å; F234-Q242 HydrophobicContact CD2-CB 4.4Å; F234-Q242 HydrophobicContact CE1-CB 3.54Å; F234-Q242 HydrophobicContact CE2-CB 3.97Å; F234-Q242 HydrophobicContact CE2-CG 4.28Å; F234-Q242 HydrophobicContact CG-CB 4.45Å; F234-Q242 HydrophobicContact CZ-CB 3.53Å; F234-Q242 HydrophobicContact CZ-CG 4.16Å; F234-Q242 PolarHBondContact N-O 3.22Å; F234-Q242 PolarHBondContact O-N 2.77Å
243R93.9Very high87.1Confident151 Ų15174.8 Ų74.857%0.5740%0.402SS*.EExtended strand (participates in β ladder)trans-119.6131.3-177.1-175.5-175.9-180-141.2-0.4110.3E231 I232E231-R243 HydrophobicContact CG-CG 4.1Å; E231-R243 WeakPolarHBondContact OE1-CD 3.32Å; E231-R243 IonicContact OE1-CZ 3.4Å; E231-R243 IonicContact OE1-NE 3.05Å; E231-R243 PolarHBondContact OE1-NE 2.68Å; E231-R243 IonicContact OE2-CZ 2.68Å; E231-R243 IonicContact OE2-NE 3.66Å; E231-R243 PolarHBondContact OE2-NE 3.13Å; E231-R243 IonicContact OE2-NH2 2.71Å; E231-R243 PolarHBondContact OE2-NH2 3.2Å; I232-R243 CarbonylContact O-C 3.59Å; I232-R243 WeakPolarHBondContact O-CA 3.47Å
244L94.5Very high87.2Confident54 Ų5476.6 Ų76.628%0.28341%0.409SS..EExtended strand (participates in β ladder)trans-126.4139.6174.8-82.6159.1000109.2E231 I232 F234 L255E231-L244 CarbonylContact C-O 3.59Å; E231-L244 WeakPolarHBondContact CA-O 3.11Å; I232-L244 HydrophobicContact CB-CB 4.16Å; I232-L244 PolarHBondContact N-O 3.47Å; I232-L244 PolarHBondContact O-N 2.89Å; F234-L244 HydrophobicContact CD1-CD1 4.22Å; F234-L244 HydrophobicContact CE1-CD1 3.42Å; F234-L244 VanDerWaalsContact CE1-CD1 3.42Å; F234-L244 HydrophobicContact CE1-CG 4.08Å; F234-L244 HydrophobicContact CZ-CD1 4.12Å; L244-L255 HydrophobicContact CD1-CD2 3.55Å
245I94.9Very high87.3Confident89 Ų8976.4 Ų76.446%0.45641%0.408SS..EExtended strand (participates in β ladder)trans-113.1131.4173.6-67.3177.7000108.5H229 Y230H229-I245 HydrophobicContact CB-CG2 4.09Å; H229-I245 VanDerWaalsContact CD2-CG2 3.45Å; H229-I245 WeakPolarHBondContact CD2-CG2 3.43Å; Y230-I245 CarbonylContact O-C 3.53Å; Y230-I245 WeakPolarHBondContact O-CA 3.37Å
246Q93.8Very high87.3Confident43 Ų4379.5 Ų79.520%0.20143%0.426CS..EExtended strand (participates in β ladder)trans-125.2150179-65.9-60.9-23.100111.2H229 Y230 I232 L250 V253H229-Q246 WeakPolarHBondContact CA-O 3.44Å; H229-Q246 WeakPolarHBondContact CB-O 3.48Å; Y230-Q246 PolarHBondContact N-O 3.13Å; Y230-Q246 PolarHBondContact O-N 3.45Å; I232-Q246 HydrophobicContact CD1-CB 4.04Å; I232-Q246 HydrophobicContact CD1-CG 3.54Å; Q246-L250 HydrophobicContact CB-CD1 4.26Å; Q246-V253 HydrophobicContact CG-CB 4.12Å; Q246-V253 HydrophobicContact CG-CG2 3.99Å; Q246-V253 VanDerWaalsContact NE2-CG2 3.25Å
247S90.4Very high87.2Confident66 Ų6684.4 Ų84.446%0.46245%0.451SS..EExtended strand (participates in β ladder)trans-61.1145.6176.81770000111.5Y230 Q249 L250Y230-S247 WeakPolarHBondContact CD2-O 3.39Å; S247-Q249 PolarHBondContact O-N 2.77Å; S247-Q249 VanDerWaalsContact O-N 3.07Å; S247-Q249 PolarHBondContact OG-N 2.98Å; S247-L250 PolarHBondContact O-N 3.22Å
248A83.9Confident88.1Confident4 Ų478.9 Ų78.93%0.03341%0.412CS..THydrogen-bonded Turntrans-55.3-21.1173.100000114.6L223 G228L223-A248 HydrophobicContact CB-CB 3.56Å; L223-A248 HydrophobicContact CD1-CB 4.23Å; G228-A248 WeakPolarHBondContact O-CB 3.38Å
249Q80.4Confident89.3Confident122 Ų12281.7 Ų81.757%0.5740%0.4SS*.THydrogen-bonded Turntrans-84.2-10.4179.7-56.8-60.5-22.400113.4S247S247-Q249 PolarHBondContact O-N 2.77Å; S247-Q249 VanDerWaalsContact O-N 3.07Å; S247-Q249 PolarHBondContact OG-N 2.98Å
250L85.8Confident90.1Very high67 Ų6780.9 Ų80.935%0.35139%0.394SS..  trans-88.1147.5-179.4-66.4176000111.4W219 Y230 Q246 S247W219-L250 HydrophobicContact CZ2-CB 4.47Å; W219-L250 PolarHBondContact NE1-O 3.2Å; W219-L250 VanDerWaalsContact NE1-O 3.12Å; Y230-L250 VanDerWaalsContact CE2-O 3.24Å; Y230-L250 WeakPolarHBondContact CE2-O 3.4Å; Q246-L250 HydrophobicContact CB-CD1 4.26Å; S247-L250 PolarHBondContact O-N 3.22Å
251N83.3Confident90.7Very high79 Ų7977.5 Ų77.542%0.42238%0.382SS..SBendtrans-122.45.5176.967.1-1.6000112.2H218 W219 P221H218-N251 CarbonylContact C-O 3.17Å; H218-N251 WeakPolarHBondContact CA-O 3.43Å; W219-N251 PolarHBondContact N-O 3.06Å; W219-N251 WeakPolarHBondContact O-CB 3.24Å; P221-N251 HydrophobicContact CB-CB 4.11Å; P221-N251 HydrophobicContact CG-CB 4.25Å
252S90.9Very high91.1Very high42 Ų4273.3 Ų73.329%0.29437%0.369SS..EExtended strand (participates in β ladder)trans-155.5153.4-179.357.50000112.2L217 W219L217-S252 CarbonylContact O-C 3.51Å; L217-S252 WeakPolarHBondContact O-CA 3.38Å; L217-S252 WeakPolarHBondContact O-CB 3.24Å; W219-S252 VanDerWaalsContact CZ3-CA 3.5Å
253V95.2Very high91.2Very high17 Ų1772.4 Ų72.410%0.10337%0.37CS..EExtended strand (participates in β ladder)trans-151.3142.9172.667.70000110.4S216 L217 W219 I232 Q246 L255S216-V253 CarbonylContact C-O 3.6Å; S216-V253 WeakPolarHBondContact CA-O 3.45Å; L217-V253 HydrophobicContact CB-CG1 4.08Å; L217-V253 HydrophobicContact CD1-CG1 3.91Å; L217-V253 HydrophobicContact CG-CG1 4.28Å; L217-V253 PolarHBondContact N-O 2.92Å; L217-V253 PolarHBondContact O-N 2.85Å; W219-V253 HydrophobicContact CH2-CB 3.88Å; W219-V253 HydrophobicContact CH2-CG1 3.76Å; W219-V253 HydrophobicContact CZ3-CB 4.11Å; W219-V253 HydrophobicContact CZ3-CG1 3.63Å; I232-V253 HydrophobicContact CD1-CG1 4.18Å; I232-V253 HydrophobicContact CG1-CG1 4.26Å; Q246-V253 HydrophobicContact CG-CB 4.12Å; Q246-V253 HydrophobicContact CG-CG2 3.99Å; Q246-V253 VanDerWaalsContact NE2-CG2 3.25Å; V253-L255 HydrophobicContact CG1-CD2 4.44Å
254R95.6Very high91.2Very high152 Ų15265.8 Ų65.857%0.57435%0.345SS*.EExtended strand (participates in β ladder)trans-95.2121.8172.5-169.5173.5-175.21590.7110.5S214 T256S214-R254 PolarHBondContact OG-NE 3.39Å; S214-R254 PolarHBondContact OG-NH2 3.07Å; R254-T256 HydrophobicContact CG-CG2 4.43Å
255L95.3Very high91Very high0 Ų064.8 Ų64.80%034%0.343CS..EExtended strand (participates in β ladder)trans-82133.5167.9-51.7-177000108.8S214 A215 L217 I232 F234 L244 V253 L258 V266 F284S214-L255 CarbonylContact C-O 3.47Å; S214-L255 WeakPolarHBondContact CA-O 3.43Å; S214-L255 WeakPolarHBondContact CB-O 3.36Å; A215-L255 PolarHBondContact N-O 3.39Å; A215-L255 PolarHBondContact O-N 3.44Å; L217-L255 HydrophobicContact CD1-CD1 3.99Å; L217-L255 HydrophobicContact CD1-CD2 4Å; L217-L255 HydrophobicContact CD1-CG 4.09Å; L217-L255 HydrophobicContact CD2-CD1 4.15Å; L217-L255 HydrophobicContact CG-CD1 4.05Å; L217-L255 HydrophobicContact CG-CD2 4.48Å; L217-L255 HydrophobicContact CG-CG 4.08Å; I232-L255 HydrophobicContact CG2-CD2 4.42Å; F234-L255 HydrophobicContact CB-CD1 4.23Å; F234-L255 HydrophobicContact CD1-CD1 4.42Å; F234-L255 HydrophobicContact CD1-CD2 3.91Å; F234-L255 HydrophobicContact CD2-CD1 4.11Å; F234-L255 HydrophobicContact CE1-CD2 3.91Å; F234-L255 HydrophobicContact CG-CD1 3.99Å; F234-L255 HydrophobicContact CG-CD2 4.31Å; F234-L255 HydrophobicContact CZ-CD2 4.28Å; L244-L255 HydrophobicContact CD1-CD2 3.55Å; V253-L255 HydrophobicContact CG1-CD2 4.44Å; L255-L258 HydrophobicContact CB-CD1 4.27Å; L255-L258 HydrophobicContact CB-CD2 4.4Å; L255-V266 HydrophobicContact CD1-CG2 4.18Å; L255-F284 HydrophobicContact CD1-CE1 3.94Å; L255-F284 HydrophobicContact CD1-CZ 4Å
256T93.5Very high90.8Very high69 Ų6960.6 Ų60.642%0.42332%0.321SS..  trans-122.8177.6177.8600000111.1D213 R254 L258D213-T256 CarbonylContact O-C 3.48Å; R254-T256 HydrophobicContact CG-CG2 4.43Å; T256-L258 PolarHBondContact O-N 3.12Å; T256-L258 VanDerWaalsContact O-N 3.16Å
257D90.6Very high90.6Very high133 Ų13359.7 Ų59.771%0.71132%0.319SS*.SBendtrans58.630.6174.6-51.1-65.7000113.4D213D213-D257 PolarHBondContact O-N 3.04Å; D213-D257 VanDerWaalsContact O-N 3.14Å
258L92.9Very high90.5Very high8 Ų856.6 Ų56.64%0.04230%0.298CS..PPolyproline II helixtrans-79.9150.4175.9-50.6-180000110.2D213 A215 F234 L255 T256 Y264 F284 T286D213-L258 WeakPolarHBondContact CA-O 3.5Å; D213-L258 WeakPolarHBondContact O-CB 3.4Å; D213-L258 WeakPolarHBondContact O-CG 3.47Å; D213-L258 PolarHBondContact O-N 3.18Å; A215-L258 HydrophobicContact CB-CD1 4.25Å; F234-L258 HydrophobicContact CD2-CD2 4Å; F234-L258 HydrophobicContact CE2-CD2 3.65Å; L255-L258 HydrophobicContact CB-CD1 4.27Å; L255-L258 HydrophobicContact CB-CD2 4.4Å; T256-L258 PolarHBondContact O-N 3.12Å; T256-L258 VanDerWaalsContact O-N 3.16Å; L258-Y264 WeakPolarHBondContact CA-OH 3.4Å; L258-Y264 HydrophobicContact CB-CE2 3.89Å; L258-Y264 HydrophobicContact CD2-CD1 4.19Å; L258-Y264 HydrophobicContact CD2-CE1 3.78Å; L258-Y264 HydrophobicContact CD2-CE2 4.23Å; L258-Y264 HydrophobicContact CG-CE2 4.49Å; L258-F284 HydrophobicContact CD1-CE2 3.64Å; L258-F284 HydrophobicContact CD1-CZ 3.54Å; L258-T286 HydrophobicContact CB-CG2 3.75Å; L258-T286 HydrophobicContact CD1-CG2 3.83Å; L258-T286 HydrophobicContact CG-CG2 4.48Å
259K91.2Very high90.7Very high144 Ų14457.8 Ų57.863%0.62630%0.303SS*.PPolyproline II helixtrans-79.8135.5174.4-67.5-176.8-179.5176.80109.2T262 Y264 T286K259-T262 HydrophobicContact CB-CG2 4.4Å; K259-T262 WeakPolarHBondContact CB-OG1 3.39Å; K259-T262 VanDerWaalsContact O-CB 3.27Å; K259-T262 WeakPolarHBondContact O-CB 3.13Å; K259-T262 PolarHBondContact O-OG1 3.46Å; K259-Y264 PolarHBondContact N-OH 3.42Å; K259-T286 PolarHBondContact O-OG1 3.28Å
260P91.1Very high90.7Very high51 Ų5152.4 Ų52.433%0.33128%0.279SS..THydrogen-bonded Turntrans-59.4154.7173.4-22.331.6000112.8T212 T262 V289T212-P260 WeakPolarHBondContact O-CA 3.43Å; T212-P260 WeakPolarHBondContact O-CG 3.42Å; P260-T262 PolarHBondContact O-N 2.88Å; P260-T262 VanDerWaalsContact O-N 3.09Å; P260-T262 PolarHBondContact O-OG1 2.77Å; P260-V289 HydrophobicContact CB-CG2 3.49Å; P260-V289 VanDerWaalsContact CB-CG2 3.49Å; P260-V289 HydrophobicContact CG-CG2 3.34Å
261D92.8Very high90.6Very high118 Ų11852.9 Ų52.963%0.63128%0.279SS*.THydrogen-bonded Turntrans48.436.4178.1-160.232.5000114.1T286 K287 P288D261-T286 WeakPolarHBondContact CA-O 3.38Å; D261-T286 PolarHBondContact N-O 2.88Å; D261-T286 PolarHBondContact N-OG1 2.88Å; D261-T286 VanDerWaalsContact N-OG1 3.07Å; D261-K287 PolarHBondContact N-O 3.03Å; D261-P288 HydrophobicContact CB-CB 4.32Å
262T92.7Very high90.3Very high33 Ų3350.4 Ų50.420%0.20227%0.269CS..  trans-125.7134.7-173.7-58.50000110.8T236 K259 P260 Y264 T285 T286T236-T262 HydrophobicContact CG2-CG2 3.37Å; K259-T262 HydrophobicContact CB-CG2 4.4Å; K259-T262 WeakPolarHBondContact CB-OG1 3.39Å; K259-T262 VanDerWaalsContact O-CB 3.27Å; K259-T262 WeakPolarHBondContact O-CB 3.13Å; K259-T262 PolarHBondContact O-OG1 3.46Å; P260-T262 PolarHBondContact O-N 2.88Å; P260-T262 VanDerWaalsContact O-N 3.09Å; P260-T262 PolarHBondContact O-OG1 2.77Å; T262-Y264 HydrophobicContact CG2-CD2 4.3Å; T262-Y264 HydrophobicContact CG2-CE2 3.77Å; T262-Y264 WeakPolarHBondContact O-CD2 3.42Å; T262-T285 WeakPolarHBondContact O-CA 3.26Å; T262-T286 PolarHBondContact N-OG1 2.85Å; T262-T286 PolarHBondContact O-N 3.03Å; T262-T286 VanDerWaalsContact O-N 3.11Å; T262-T286 PolarHBondContact O-OG1 2.88Å
263T92.8Very high89.6Confident79 Ų7954.7 Ų54.749%0.48529%0.288SS..EExtended strand (participates in β ladder)trans-87.6124177.2-56.80000111.3F284 T285T263-F284 CarbonylContact C-O 3.49Å; T263-F284 WeakPolarHBondContact CA-O 3.3Å; T263-T285 PolarHBondContact OG1-OG1 2.87Å
264Y92.8Very high88.4Confident11 Ų1159.2 Ų59.24%0.04331%0.308CS..EExtended strand (participates in β ladder)trans-107.7142177.4-74.6-95.4000111F234 T236 L258 K259 T262 T283 F284 T286F234-Y264 HydrophobicContact CD2-CD1 4.23Å; T236-Y264 HydrophobicContact CG2-CD1 4.05Å; T236-Y264 HydrophobicContact CG2-CE1 3.82Å; T236-Y264 HydrophobicContact CG2-CE2 4.3Å; T236-Y264 HydrophobicContact CG2-CG 4.39Å; L258-Y264 WeakPolarHBondContact CA-OH 3.4Å; L258-Y264 HydrophobicContact CB-CE2 3.89Å; L258-Y264 HydrophobicContact CD2-CD1 4.19Å; L258-Y264 HydrophobicContact CD2-CE1 3.78Å; L258-Y264 HydrophobicContact CD2-CE2 4.23Å; L258-Y264 HydrophobicContact CG-CE2 4.49Å; K259-Y264 PolarHBondContact N-OH 3.42Å; T262-Y264 HydrophobicContact CG2-CD2 4.3Å; T262-Y264 HydrophobicContact CG2-CE2 3.77Å; T262-Y264 WeakPolarHBondContact O-CD2 3.42Å; Y264-T283 CarbonylContact O-C 3.57Å; Y264-T283 WeakPolarHBondContact O-CA 3.28Å; Y264-T283 WeakPolarHBondContact O-CB 3.36Å; Y264-F284 HydrophobicContact CD2-CE2 4.46Å; Y264-F284 HydrophobicContact CD2-CZ 4.41Å; Y264-F284 HydrophobicContact CG-CZ 4.23Å; Y264-F284 PolarHBondContact N-O 3.36Å; Y264-F284 PolarHBondContact O-N 2.94Å; Y264-T286 HydrophobicContact CD2-CG2 4.33Å; Y264-T286 HydrophobicContact CE2-CG2 4.21Å
265S90.4Very high86.4Confident34 Ų3456 Ų5624%0.23830%0.301CS..EExtended strand (participates in β ladder)trans-102.7135164.8-177.80000109.1F234 G235F234-S265 CarbonylContact C-O 3.59Å; F234-S265 WeakPolarHBondContact CA-O 3.36Å; G235-S265 PolarHBondContact N-O 2.76Å; G235-S265 PolarHBondContact O-N 3.02Å
266V91.9Very high84.8Confident0 Ų062.1 Ų62.10%034%0.339CS..EExtended strand (participates in β ladder)trans-127.4139.5-176.5-1750000109.5L205 L217 I232 R233 F234 L255 S281 T282 F284L205-V266 HydrophobicContact CD2-CG1 3.95Å; L217-V266 HydrophobicContact CD1-CG1 3.55Å; L217-V266 HydrophobicContact CD2-CG1 4.08Å; L217-V266 HydrophobicContact CD2-CG2 4.33Å; L217-V266 HydrophobicContact CG-CG1 4.47Å; I232-V266 HydrophobicContact CG2-CG1 3.9Å; R233-V266 CarbonylContact O-C 3.46Å; R233-V266 VanDerWaalsContact O-CA 3.31Å; R233-V266 WeakPolarHBondContact O-CA 3.09Å; F234-V266 HydrophobicContact CB-CB 4.37Å; F234-V266 HydrophobicContact CB-CG1 4.33Å; F234-V266 HydrophobicContact CB-CG2 3.85Å; L255-V266 HydrophobicContact CD1-CG2 4.18Å; V266-S281 CarbonylContact O-C 3.55Å; V266-S281 WeakPolarHBondContact O-CA 3.39Å; V266-T282 HydrophobicContact CB-CG2 4.27Å; V266-T282 PolarHBondContact N-O 2.74Å; V266-T282 PolarHBondContact O-N 2.91Å; V266-F284 HydrophobicContact CG2-CD1 3.83Å; V266-F284 HydrophobicContact CG2-CE1 3.45Å; V266-F284 VanDerWaalsContact CG2-CE1 3.45Å
267S88.8Confident83.3Confident24 Ų2461.3 Ų61.317%0.16833%0.33CS..EExtended strand (participates in β ladder)trans-130.3133.4169.7-59.30000110.3I232 R233 L280 S281I232-S267 CarbonylContact C-O 3.54Å; I232-S267 WeakPolarHBondContact CA-O 3.34Å; R233-S267 PolarHBondContact N-O 3.16Å; R233-S267 PolarHBondContact O-N 3.14Å; S267-L280 CarbonylContact C-O 3.57Å; S267-L280 VanDerWaalsContact CA-O 3.25Å; S267-L280 WeakPolarHBondContact CA-O 3.34Å; S267-S281 PolarHBondContact OG-OG 2.88Å
268L89.1Confident81.9Confident1 Ų158.1 Ų58.11%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-108.1120.8172.4175.979.1000108.1L205 W219 Y230 E231 I232 T279 L280L205-L268 HydrophobicContact CD1-CB 4.2Å; L205-L268 HydrophobicContact CD1-CD2 4.08Å; L205-L268 HydrophobicContact CD2-CB 3.86Å; W219-L268 HydrophobicContact CB-CD2 3.64Å; W219-L268 HydrophobicContact CD2-CD1 4.2Å; W219-L268 HydrophobicContact CD2-CD2 3.68Å; W219-L268 HydrophobicContact CE3-CD1 4.38Å; W219-L268 HydrophobicContact CE3-CD2 4.24Å; W219-L268 HydrophobicContact CG-CD2 3.39Å; W219-L268 HydrophobicContact CZ2-CD1 4.35Å; Y230-L268 HydrophobicContact CD1-CD1 3.83Å; Y230-L268 HydrophobicContact CD1-CD2 4.23Å; Y230-L268 HydrophobicContact CD1-CG 4.13Å; Y230-L268 HydrophobicContact CE1-CD2 4.49Å; Y230-L268 HydrophobicContact CG-CD1 4.04Å; E231-L268 CarbonylContact O-C 3.6Å; I232-L268 HydrophobicContact CD1-CD1 3.98Å; I232-L268 HydrophobicContact CG1-CD1 3.56Å; L268-T279 WeakPolarHBondContact O-CA 3.42Å; L268-L280 HydrophobicContact CB-CB 4.39Å; L268-L280 HydrophobicContact CD2-CD1 4.24Å; L268-L280 PolarHBondContact N-O 2.85Å; L268-L280 PolarHBondContact O-N 3.47Å
269I88.2Confident80.9Confident29 Ų2961.1 Ų61.115%0.14933%0.331CS..EExtended strand (participates in β ladder)trans-116.3106.3-177.3-54.4164.7000107E231 R233 E271 T279E231-I269 HydrophobicContact CB-CB 4.25Å; E231-I269 HydrophobicContact CG-CD1 4.45Å; E231-I269 PolarHBondContact N-O 3.49Å; E231-I269 PolarHBondContact O-N 2.9Å; R233-I269 HydrophobicContact CG-CD1 4.39Å; I269-E271 HydrophobicContact CG2-CG 4.23Å; I269-E271 PolarHBondContact O-N 3.08Å; I269-T279 HydrophobicContact CG1-CG2 3.67Å
270P80.8Confident80.2Confident9 Ų956.4 Ų56.46%0.05831%0.313CS..EExtended strand (participates in β ladder)trans-76.1120.7172.2-9.526.4000109.7V222 L223 Y230 F277 N278V222-P270 HydrophobicContact CG2-CB 4.04Å; V222-P270 HydrophobicContact CG2-CG 3.97Å; L223-P270 HydrophobicContact CD1-CB 3.96Å; L223-P270 HydrophobicContact CD2-CB 4.05Å; L223-P270 HydrophobicContact CG-CB 4.01Å; Y230-P270 HydrophobicContact CD1-CB 3.87Å; Y230-P270 HydrophobicContact CD1-CG 4.11Å; Y230-P270 HydrophobicContact CE1-CB 3.7Å; Y230-P270 HydrophobicContact CE1-CG 3.94Å; P270-F277 HydrophobicContact CB-CB 3.72Å; P270-F277 HydrophobicContact CB-CD2 4.02Å; P270-F277 HydrophobicContact CB-CG 3.91Å; P270-F277 HydrophobicContact CG-CB 3.73Å; P270-F277 HydrophobicContact CG-CG 4.29Å; P270-N278 WeakPolarHBondContact CD-O 3.38Å
271E83.1Confident79.8Confident77 Ų7756.9 Ų56.936%0.3632%0.317SS..EExtended strand (participates in β ladder)trans-107.2124.5176.5-64.4-163.3175.800110.4G228 H229 I269G228-E271 CarbonylContact C-O 3.53Å; G228-E271 WeakPolarHBondContact CA-O 3.37Å; H229-E271 IonicContact CE1-OE2 2.99Å; H229-E271 PolarHBondContact CE1-OE2 3.16Å; H229-E271 PolarHBondContact N-O 2.8Å; H229-E271 IonicContact NE2-OE2 3.53Å; H229-E271 PolarHBondContact NE2-OE2 3.44Å; H229-E271 PolarHBondContact O-N 3.01Å; I269-E271 HydrophobicContact CG2-CG 4.23Å; I269-E271 PolarHBondContact O-N 3.08Å
272S76.9Confident79.3Confident28 Ų2853.3 Ų53.320%0.19630%0.3CS..EExtended strand (participates in β ladder)trans-140151.6170.9179.50000110S227 E274 I275S227-S272 WeakPolarHBondContact O-CA 3.26Å; S227-S272 WeakPolarHBondContact O-CB 3.39Å; S227-S272 PolarHBondContact O-OG 2.87Å; S272-E274 VanDerWaalsContact C-N 3.31Å; S272-E274 PolarHBondContact OG-N 3.1Å; S272-E274 VanDerWaalsContact OG-N 3.16Å; S272-I275 WeakPolarHBondContact CB-O 3.48Å
273N76.9Confident79.1Confident131 Ų13156.2 Ų56.270%0.70132%0.317SS*.SBendtrans-81.2-10.7172.258.5-38.1000113.1S227S227-N273 WeakPolarHBondContact CB-OD1 3.19Å; S227-N273 PolarHBondContact O-OD1 3.27Å
274E68.3Low78.8Confident112 Ų11253.1 Ų53.152%0.52330%0.298SS..SBendtrans-101.4-42.7-175.8-64175.3-145.600111.9L226 S272L226-E274 WeakPolarHBondContact CD2-OE2 3.35Å; S272-E274 VanDerWaalsContact C-N 3.31Å; S272-E274 PolarHBondContact OG-N 3.1Å; S272-E274 VanDerWaalsContact OG-N 3.16Å
275I55.2Low78.7Confident85 Ų8555.9 Ų55.944%0.43632%0.316SS..  trans-136.1134.2-174.1-56172.3000110L226 S272 F277L226-I275 HydrophobicContact CD1-CD1 4.1Å; S272-I275 WeakPolarHBondContact CB-O 3.48Å; I275-F277 HydrophobicContact CB-CE2 3.81Å; I275-F277 HydrophobicContact CB-CZ 3.98Å; I275-F277 HydrophobicContact CG2-CD2 4.44Å; I275-F277 HydrophobicContact CG2-CE1 4.3Å; I275-F277 HydrophobicContact CG2-CE2 3.97Å; I275-F277 HydrophobicContact CG2-CZ 3.91Å; I275-F277 VanDerWaalsContact O-CD2 3.3Å; I275-F277 WeakPolarHBondContact O-CD2 3.45Å; I275-F277 WeakPolarHBondContact O-CE2 3.43Å
276T60.4Low78.8Confident129 Ų12954.4 Ų54.479%0.79131%0.305SS*.  trans-82.7131.5171.3-300000109.5
277F61.9Low78.7Confident52 Ų5260.1 Ų60.123%0.22833%0.33CS..  trans-115152.1178.2-66.1-88.5000111.3V222 L223 L226 P270 I275V222-F277 HydrophobicContact CB-CD1 4.19Å; V222-F277 HydrophobicContact CB-CE1 3.89Å; V222-F277 HydrophobicContact CG2-CD1 4.01Å; V222-F277 HydrophobicContact CG2-CE1 4.11Å; L223-F277 HydrophobicContact CD2-CD2 3.76Å; L223-F277 HydrophobicContact CD2-CE2 3.32Å; L223-F277 HydrophobicContact CD2-CZ 3.89Å; L226-F277 HydrophobicContact CD1-CE2 4.04Å; L226-F277 HydrophobicContact CD1-CZ 3.68Å; P270-F277 HydrophobicContact CB-CB 3.72Å; P270-F277 HydrophobicContact CB-CD2 4.02Å; P270-F277 HydrophobicContact CB-CG 3.91Å; P270-F277 HydrophobicContact CG-CB 3.73Å; P270-F277 HydrophobicContact CG-CG 4.29Å; I275-F277 HydrophobicContact CB-CE2 3.81Å; I275-F277 HydrophobicContact CB-CZ 3.98Å; I275-F277 HydrophobicContact CG2-CD2 4.44Å; I275-F277 HydrophobicContact CG2-CE1 4.3Å; I275-F277 HydrophobicContact CG2-CE2 3.97Å; I275-F277 HydrophobicContact CG2-CZ 3.91Å; I275-F277 VanDerWaalsContact O-CD2 3.3Å; I275-F277 WeakPolarHBondContact O-CD2 3.45Å; I275-F277 WeakPolarHBondContact O-CE2 3.43Å
278N61.4Low78.6Confident65 Ų6562.6 Ų62.635%0.34835%0.345SS..PPolyproline II helixtrans-71.9147.4172.1-80.4-29000111.8E17 D54 P270E17-N278 PolarHBondContact OE2-ND2 2.89Å; D54-N278 PolarHBondContact O-ND2 2.96Å; P270-N278 WeakPolarHBondContact CD-O 3.38Å
279T72.8Confident78.4Confident71 Ų7166.4 Ų66.444%0.43637%0.369SS..PPolyproline II helixtrans-78.1129.5174.3-61.20000110.1L268 I269L268-T279 WeakPolarHBondContact O-CA 3.42Å; I269-T279 HydrophobicContact CG1-CG2 3.67Å
280L76.6Confident78.2Confident45 Ų4568.8 Ų68.824%0.23638%0.384CS..EExtended strand (participates in β ladder)trans-95.2130.3173.6-53.7-176.3000109.4R204 L205 S267 L268R204-L280 HydrophobicContact CG-CD2 4.42Å; L205-L280 HydrophobicContact CB-CB 3.99Å; L205-L280 HydrophobicContact CB-CD1 4.39Å; S267-L280 CarbonylContact C-O 3.57Å; S267-L280 VanDerWaalsContact CA-O 3.25Å; S267-L280 WeakPolarHBondContact CA-O 3.34Å; L268-L280 HydrophobicContact CB-CB 4.39Å; L268-L280 HydrophobicContact CD2-CD1 4.24Å; L268-L280 PolarHBondContact N-O 2.85Å; L268-L280 PolarHBondContact O-N 3.47Å
281S82Confident78.4Confident62 Ų6271.9 Ų71.943%0.43440%0.398SS..EExtended strand (participates in β ladder)trans-128.8147.4179.2-56.70000112.2V266 S267V266-S281 CarbonylContact O-C 3.55Å; V266-S281 WeakPolarHBondContact O-CA 3.39Å; S267-S281 PolarHBondContact OG-OG 2.88Å
282T82.8Confident78.7Confident43 Ų4368.2 Ų68.226%0.26438%0.381SS..EExtended strand (participates in β ladder)trans-154.8166.3177.9-166.10000111.1L205 V207 V266L205-T282 HydrophobicContact CD2-CG2 3.87Å; L205-T282 HydrophobicContact CG-CG2 4.11Å; V207-T282 HydrophobicContact CG2-CG2 3.54Å; V266-T282 HydrophobicContact CB-CG2 4.27Å; V266-T282 PolarHBondContact N-O 2.74Å; V266-T282 PolarHBondContact O-N 2.91Å
283T87.6Confident79.5Confident93 Ų9366.9 Ų66.957%0.57137%0.372SS*.EExtended strand (participates in β ladder)trans-126151.517556.70000110.9Y264Y264-T283 CarbonylContact O-C 3.57Å; Y264-T283 WeakPolarHBondContact O-CA 3.28Å; Y264-T283 WeakPolarHBondContact O-CB 3.36Å
284F86.7Confident80.2Confident15 Ų1562.5 Ų62.57%0.06635%0.354CS..EExtended strand (participates in β ladder)trans-151.3158.7173.573-85.4000111.5V207 V210 A215 L255 L258 T263 Y264 V266 T286V207-F284 HydrophobicContact CB-CB 4.26Å; V207-F284 HydrophobicContact CB-CG 4.49Å; V207-F284 HydrophobicContact CG1-CB 3.94Å; V207-F284 HydrophobicContact CG1-CD1 3.91Å; V207-F284 HydrophobicContact CG1-CD2 4.2Å; V207-F284 HydrophobicContact CG1-CE1 4.48Å; V207-F284 HydrophobicContact CG1-CG 3.75Å; V207-F284 HydrophobicContact CG2-CB 4.22Å; V207-F284 HydrophobicContact CG2-CD1 4.04Å; V207-F284 HydrophobicContact CG2-CG 4.39Å; V210-F284 HydrophobicContact CG1-CD2 4.17Å; V210-F284 HydrophobicContact CG2-CD2 4.24Å; A215-F284 HydrophobicContact CB-CD2 3.91Å; A215-F284 HydrophobicContact CB-CE1 4.33Å; A215-F284 HydrophobicContact CB-CE2 3.33Å; A215-F284 HydrophobicContact CB-CZ 3.58Å; L255-F284 HydrophobicContact CD1-CE1 3.94Å; L255-F284 HydrophobicContact CD1-CZ 4Å; L258-F284 HydrophobicContact CD1-CE2 3.64Å; L258-F284 HydrophobicContact CD1-CZ 3.54Å; T263-F284 CarbonylContact C-O 3.49Å; T263-F284 WeakPolarHBondContact CA-O 3.3Å; Y264-F284 HydrophobicContact CD2-CE2 4.46Å; Y264-F284 HydrophobicContact CD2-CZ 4.41Å; Y264-F284 HydrophobicContact CG-CZ 4.23Å; Y264-F284 PolarHBondContact N-O 3.36Å; Y264-F284 PolarHBondContact O-N 2.94Å; V266-F284 HydrophobicContact CG2-CD1 3.83Å; V266-F284 HydrophobicContact CG2-CE1 3.45Å; V266-F284 VanDerWaalsContact CG2-CE1 3.45Å; F284-T286 HydrophobicContact CE2-CG2 4.09Å
285T90.7Very high81.4Confident69 Ų6960.8 Ų60.842%0.42335%0.35SS..EExtended strand (participates in β ladder)trans-120125.1178.6-53.40000110.1V210 T262 T263V210-T285 WeakPolarHBondContact CG1-O 3.24Å; T262-T285 WeakPolarHBondContact O-CA 3.26Å; T263-T285 PolarHBondContact OG1-OG1 2.87Å
286T92.9Very high83.4Confident2 Ų257.5 Ų57.51%0.01233%0.334CS..PPolyproline II helixtrans-66.9153.3175.653.50000111.6L258 K259 D261 T262 Y264 F284L258-T286 HydrophobicContact CB-CG2 3.75Å; L258-T286 HydrophobicContact CD1-CG2 3.83Å; L258-T286 HydrophobicContact CG-CG2 4.48Å; K259-T286 PolarHBondContact O-OG1 3.28Å; D261-T286 WeakPolarHBondContact CA-O 3.38Å; D261-T286 PolarHBondContact N-O 2.88Å; D261-T286 PolarHBondContact N-OG1 2.88Å; D261-T286 VanDerWaalsContact N-OG1 3.07Å; T262-T286 PolarHBondContact N-OG1 2.85Å; T262-T286 PolarHBondContact O-N 3.03Å; T262-T286 VanDerWaalsContact O-N 3.11Å; T262-T286 PolarHBondContact O-OG1 2.88Å; Y264-T286 HydrophobicContact CD2-CG2 4.33Å; Y264-T286 HydrophobicContact CE2-CG2 4.21Å; F284-T286 HydrophobicContact CE2-CG2 4.09Å
287K89.6Confident85.1Confident121 Ų12154.8 Ų54.853%0.52632%0.317SS..PPolyproline II helixtrans-69.2155.7177.6-68.1175179.2155.50112.3V210 S211 T212 D261V210-K287 WeakPolarHBondContact O-CD 3.43Å; V210-K287 WeakPolarHBondContact O-CE 3.43Å; V210-K287 PolarHBondContact O-NZ 2.99Å; S211-K287 PolarHBondContact O-N 2.8Å; T212-K287 WeakPolarHBondContact CA-O 3.21Å; T212-K287 HydrophobicContact CG2-CB 4.02Å; D261-K287 PolarHBondContact N-O 3.03Å
288P87.4Confident86.7Confident75 Ų7554.9 Ų54.949%0.48732%0.322SS..PPolyproline II helixtrans-73.7154.6173.230.4-35.7000112.1T212 D261 V290T212-P288 WeakPolarHBondContact CG2-O 3.47Å; D261-P288 HydrophobicContact CB-CB 4.32Å; P288-V290 PolarHBondContact O-N 2.8Å
289V83.9Confident88.3Confident82 Ų8254 Ų5450%0.49732%0.321SS..PPolyproline II helixtrans-69.8121.2175.9-177.20000110.4P260 E291P260-V289 HydrophobicContact CB-CG2 3.49Å; P260-V289 VanDerWaalsContact CB-CG2 3.49Å; P260-V289 HydrophobicContact CG-CG2 3.34Å; V289-E291 HydrophobicContact CG1-CG 4.2Å
290V84.3Confident89.1Confident79 Ų7956.1 Ų56.148%0.47933%0.326SS..  trans-94.3103.2171.7-178.30000108.9P288 A294 P312 Q314P288-V290 PolarHBondContact O-N 2.8Å; V290-A294 HydrophobicContact CG1-CB 3.57Å; V290-P312 HydrophobicContact CG1-CG 4.12Å; V290-Q314 PolarHBondContact O-NE2 3.4Å
291E85.2Confident89.8Confident74 Ų7456 Ų5635%0.34633%0.329SS..PPolyproline II helixtrans-79.1138.7178.6-65.1-176.3160.100112.3V289 P293 A294 K370V289-E291 HydrophobicContact CG1-CG 4.2Å; E291-P293 CarbonylContact O-C 3.54Å; E291-A294 PolarHBondContact O-N 2.8Å; E291-K370 HydrophobicContact CB-CD 3.48Å; E291-K370 VanDerWaalsContact CB-CD 3.48Å; E291-K370 WeakPolarHBondContact O-CE 3.37Å; E291-K370 PolarHBondContact O-NZ 3.21Å
292S89Confident90.2Very high0 Ų053.8 Ų53.80%032%0.316CS..SBendtrans-74.6147.1173.3-176.50000112.3P312 Y321 A362 K370S292-P312 WeakPolarHBondContact CB-O 3.47Å; S292-P312 PolarHBondContact OG-O 3.13Å; S292-Y321 VanDerWaalsContact OG-CE1 3.28Å; S292-Y321 WeakPolarHBondContact OG-CE1 3.46Å; S292-Y321 PolarHBondContact OG-OH 2.93Å; S292-A362 WeakPolarHBondContact O-CB 3.44Å; S292-K370 WeakPolarHBondContact O-CB 3.21Å
293P94.1Very high90.6Very high0 Ų055.5 Ų55.50%032%0.321CS..PPolyproline II helixcis-75.5132.1-18.432.2-30.4000110E291 V296 W310 V360 K370 M372E291-P293 CarbonylContact O-C 3.54Å; P293-V296 HydrophobicContact CB-CG2 4.14Å; P293-W310 HydrophobicContact CB-CB 4.03Å; P293-V360 HydrophobicContact CG-CB 4.49Å; P293-V360 HydrophobicContact CG-CG1 4.38Å; P293-V360 WeakPolarHBondContact CG-O 3.45Å; P293-K370 VanDerWaalsContact CD-O 3.25Å; P293-K370 WeakPolarHBondContact CD-O 3.35Å; P293-K370 WeakPolarHBondContact O-CE 3.3Å; P293-M372 HydrophobicContact CB-CB 4.47Å; P293-M372 HydrophobicContact CG-CB 3.93Å
294A91.9Very high90.9Very high39 Ų3954.5 Ų54.532%0.32232%0.315SS..SBendtrans-95-21.7169.800000111.8V290 E291 G311 M372V290-A294 HydrophobicContact CG1-CB 3.57Å; E291-A294 PolarHBondContact O-N 2.8Å; A294-G311 PolarHBondContact N-O 2.84Å; A294-M372 WeakPolarHBondContact O-CE 3.3Å
295V93.9Very high91.3Very high75 Ų7555.2 Ų55.246%0.45532%0.322SS..EExtended strand (participates in β ladder)trans-142.4142.4174.867.70000109.8T297 W310 G311 M372V295-T297 HydrophobicContact CG2-CG2 4.03Å; V295-W310 WeakPolarHBondContact O-CA 3.06Å; V295-G311 PolarHBondContact N-O 3.16Å; V295-G311 VanDerWaalsContact N-O 3.08Å; V295-G311 PolarHBondContact O-N 3.38Å; V295-M372 VanDerWaalsContact CA-SD 3.54Å
296V96.7Very high91.6Very high16 Ų1652 Ų5210%0.09730%0.302CS..EExtended strand (participates in β ladder)trans-126.5130.8170.2-179.40000108P293 V308 S309 W310 V360 M372 V374P293-V296 HydrophobicContact CB-CG2 4.14Å; V296-V308 HydrophobicContact CG1-CG1 3.67Å; V296-S309 CarbonylContact C-O 3.56Å; V296-S309 WeakPolarHBondContact CA-O 3.44Å; V296-W310 HydrophobicContact CG2-CB 4.2Å; V296-V360 HydrophobicContact CG1-CG2 3.91Å; V296-V360 HydrophobicContact CG2-CB 4.01Å; V296-V360 HydrophobicContact CG2-CG2 4.04Å; V296-M372 HydrophobicContact CB-CG 4.23Å; V296-M372 HydrophobicContact CB-SD 4.33Å; V296-M372 HydrophobicContact CG2-CB 3.73Å; V296-M372 HydrophobicContact CG2-CG 3.71Å; V296-M372 HydrophobicContact CG2-SD 4.01Å; V296-V374 HydrophobicContact CG1-CB 4.31Å; V296-V374 HydrophobicContact CG1-CG1 3.7Å
297T96.4Very high91.8Very high72 Ų7255.2 Ų55.244%0.44231%0.314SS..EExtended strand (participates in β ladder)trans-128.9161.5-174.656.90000110.8V295 V308 S309V295-T297 HydrophobicContact CG2-CG2 4.03Å; T297-V308 WeakPolarHBondContact O-CA 3.45Å; T297-S309 PolarHBondContact N-O 2.91Å; T297-S309 PolarHBondContact O-N 3.32Å; T297-S309 PolarHBondContact OG1-O 3.31Å
298V95.6Very high92.2Very high55 Ų5549.4 Ų49.433%0.33329%0.289SS..EExtended strand (participates in β ladder)trans-127.8135.7-172.5179.80000108.5V306 R307 V374 V376V298-V306 HydrophobicContact CG1-CG1 3.5Å; V298-V306 VanDerWaalsContact CG1-CG1 3.5Å; V298-R307 WeakPolarHBondContact CA-O 3.1Å; V298-V374 HydrophobicContact CG2-CG1 4Å; V298-V374 HydrophobicContact CG2-CG2 3.99Å; V298-V376 HydrophobicContact CB-CG1 3.86Å; V298-V376 HydrophobicContact CG1-CB 4.46Å; V298-V376 HydrophobicContact CG1-CG1 3.38Å; V298-V376 HydrophobicContact CG2-CG1 3.14Å
299S93.9Very high92.7Very high45 Ų4546.9 Ų46.932%0.31527%0.273SS..EExtended strand (participates in β ladder)trans-149.7172.8178.154.40000110.4S301 R307S299-S301 PolarHBondContact O-N 3.09Å; S299-S301 VanDerWaalsContact O-N 3.13Å; S299-R307 PolarHBondContact N-O 2.81Å; S299-R307 WeakPolarHBondContact O-CA 3.49Å; S299-R307 WeakPolarHBondContact O-CB 3.24Å; S299-R307 PolarHBondContact O-N 3.2Å
300E90.4Very high93.3Very high116 Ų11643.5 Ų43.554%0.54225%0.251SS..  trans49.742175.8-62.8171.9-154.200113.2G302 R307E300-G302 PolarHBondContact O-N 2.78Å; E300-G302 VanDerWaalsContact O-N 3.09Å; E300-R307 HydrophobicContact CB-CB 3.96Å; E300-R307 HydrophobicContact CG-CB 4.47Å; E300-R307 IonicContact OE1-CZ 3.36Å; E300-R307 IonicContact OE1-NE 2.84Å; E300-R307 PolarHBondContact OE1-NE 2.9Å; E300-R307 IonicContact OE1-NH2 2.97Å; E300-R307 PolarHBondContact OE1-NH2 3.46Å; E300-R307 IonicContact OE2-CZ 3.97Å; E300-R307 IonicContact OE2-NE 3.47Å; E300-R307 PolarHBondContact OE2-NE 3.31Å; E300-R307 IonicContact OE2-NH2 3.51Å; E300-R307 PolarHBondContact OE2-NH2 3.09Å
301S90.6Very high93.8Very high43 Ų4340.3 Ų40.330%0.30123%0.234SC..  trans-71105.5177.8-60.60000110S299 Q379S299-S301 PolarHBondContact O-N 3.09Å; S299-S301 VanDerWaalsContact O-N 3.13Å; S301-Q379 WeakPolarHBondContact O-CG 3.36Å; S301-Q379 PolarHBondContact O-NE2 3.31Å
302G90.8Very high94.1Very high16 Ų1639.5 Ų39.517%0.16524%0.235CC..  trans-107.6-169.7171.900000112E300 S305 T378 Q379E300-G302 PolarHBondContact O-N 2.78Å; E300-G302 VanDerWaalsContact O-N 3.09Å; G302-S305 PolarHBondContact N-O 3.3Å; G302-T378 WeakPolarHBondContact O-CA 3.28Å; G302-Q379 PolarHBondContact O-N 2.84Å
303E91.1Very high94.2Very high79 Ų7942.8 Ų42.837%0.36925%0.253SS..SBendtrans-68.1-40.9-178-61.5179.2171.400112.7P352 T378 Q379 V381E303-P352 HydrophobicContact CB-CB 4.4Å; E303-P352 HydrophobicContact CB-CG 4.33Å; E303-P352 WeakPolarHBondContact O-CA 3.34Å; E303-T378 WeakPolarHBondContact O-CB 3.15Å; E303-Q379 WeakPolarHBondContact CA-O 3.33Å; E303-Q379 HydrophobicContact CG-CB 4.21Å; E303-V381 HydrophobicContact CG-CG2 4.5Å
304T93.4Very high94Very high71 Ų7144.7 Ų44.744%0.43626%0.262SS..SBendtrans-123.38.5-174.860.10000113.2R348 N349 L350 P352T304-R348 CarbonylContact O-C 3.49Å; T304-N349 PolarHBondContact O-N 2.61Å; T304-L350 WeakPolarHBondContact CA-O 3.28Å; T304-L350 WeakPolarHBondContact CB-O 3.46Å; T304-L350 WeakPolarHBondContact O-CB 3.35Å; T304-L350 PolarHBondContact O-N 3.21Å; T304-P352 HydrophobicContact CG2-CG 4.13Å
305S96.2Very high93.7Very high30 Ų3045.1 Ų45.121%0.2126%0.261CS..  trans-148.7149.3-177.962.40000113.1G302 L347G302-S305 PolarHBondContact N-O 3.3Å; S305-L347 CarbonylContact C-O 3.6Å; S305-L347 WeakPolarHBondContact CA-O 3.29Å; S305-L347 WeakPolarHBondContact CB-O 3.34Å
306V96.6Very high93.3Very high1 Ų148.6 Ų48.61%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-144.3135.4174.4177.70000108.7V298 L347 L350 V376 T378V298-V306 HydrophobicContact CG1-CG1 3.5Å; V298-V306 VanDerWaalsContact CG1-CG1 3.5Å; V306-L347 PolarHBondContact N-O 3.17Å; V306-L347 PolarHBondContact O-N 3.23Å; V306-L350 HydrophobicContact CB-CD1 4.18Å; V306-L350 HydrophobicContact CG2-CD1 3.95Å; V306-V376 HydrophobicContact CG1-CB 4.26Å; V306-V376 HydrophobicContact CG1-CG1 3.92Å; V306-T378 HydrophobicContact CG2-CG2 3.87Å
307R97.6Very high92.8Very high70 Ų7050.9 Ų50.926%0.26429%0.291SS..EExtended strand (participates in β ladder)trans-89.3125.2172.7-178.5176.8-62.6-110.35.9110.4V298 S299 E300 T345 L346V298-R307 WeakPolarHBondContact CA-O 3.1Å; S299-R307 PolarHBondContact N-O 2.81Å; S299-R307 WeakPolarHBondContact O-CA 3.49Å; S299-R307 WeakPolarHBondContact O-CB 3.24Å; S299-R307 PolarHBondContact O-N 3.2Å; E300-R307 HydrophobicContact CB-CB 3.96Å; E300-R307 HydrophobicContact CG-CB 4.47Å; E300-R307 IonicContact OE1-CZ 3.36Å; E300-R307 IonicContact OE1-NE 2.84Å; E300-R307 PolarHBondContact OE1-NE 2.9Å; E300-R307 IonicContact OE1-NH2 2.97Å; E300-R307 PolarHBondContact OE1-NH2 3.46Å; E300-R307 IonicContact OE2-CZ 3.97Å; E300-R307 IonicContact OE2-NE 3.47Å; E300-R307 PolarHBondContact OE2-NE 3.31Å; E300-R307 IonicContact OE2-NH2 3.51Å; E300-R307 PolarHBondContact OE2-NH2 3.09Å; R307-T345 WeakPolarHBondContact CA-O 3.38Å; R307-L346 HydrophobicContact CB-CD1 4.02Å
308V97.8Very high92.6Very high0 Ų047.6 Ų47.60%027%0.271CS..EExtended strand (participates in β ladder)trans-109.8129.7175.3-179.10000108.3V296 T297 W310 S344 T345 L347 V358 V360V296-V308 HydrophobicContact CG1-CG1 3.67Å; T297-V308 WeakPolarHBondContact O-CA 3.45Å; V308-W310 WeakPolarHBondContact O-CZ3 3.4Å; V308-S344 CarbonylContact O-C 3.51Å; V308-S344 WeakPolarHBondContact O-CA 3.3Å; V308-S344 WeakPolarHBondContact O-CB 3.36Å; V308-T345 PolarHBondContact N-O 3.43Å; V308-T345 PolarHBondContact O-N 3.43Å; V308-L347 HydrophobicContact CG2-CD1 3.82Å; V308-L347 HydrophobicContact CG2-CG 4.22Å; V308-V358 HydrophobicContact CG1-CG1 4.12Å; V308-V358 HydrophobicContact CG2-CG1 4.16Å; V308-V358 HydrophobicContact CG2-CG2 4.33Å; V308-V360 HydrophobicContact CG1-CG2 3.92Å
309S97.6Very high92.5Very high22 Ų2247.9 Ų47.915%0.15427%0.273CS..EExtended strand (participates in β ladder)trans-128.7150.6-179.4-49.30000111.1V296 T297 N343 S344V296-S309 CarbonylContact C-O 3.56Å; V296-S309 WeakPolarHBondContact CA-O 3.44Å; T297-S309 PolarHBondContact N-O 2.91Å; T297-S309 PolarHBondContact O-N 3.32Å; T297-S309 PolarHBondContact OG1-O 3.31Å; S309-N343 CarbonylContact C-O 3.42Å; S309-N343 WeakPolarHBondContact CA-O 3.38Å; S309-N343 WeakPolarHBondContact CB-O 3.3Å; S309-S344 WeakPolarHBondContact OG-CB 3.39Å
310W97.1Very high92.5Very high10 Ų1046.4 Ų46.44%0.03826%0.262CS..EExtended strand (participates in β ladder)trans-139.3161.4-177.755.991.1000112.1P293 V295 V296 V308 Y321 I323 V338 Q342 N343 T345 V360P293-W310 HydrophobicContact CB-CB 4.03Å; V295-W310 WeakPolarHBondContact O-CA 3.06Å; V296-W310 HydrophobicContact CG2-CB 4.2Å; V308-W310 WeakPolarHBondContact O-CZ3 3.4Å; W310-Y321 AromaticContact CD1-CD1 3.84Å; W310-Y321 AromaticContact CD1-CE1 3.48Å; W310-Y321 VanDerWaalsContact CD1-CE1 3.48Å; W310-Y321 AromaticContact CD1-CZ 3.76Å; W310-Y321 AromaticContact CE2-CD1 3.98Å; W310-Y321 AromaticContact CE2-CG 3.84Å; W310-Y321 HydrophobicContact CZ2-CD2 4.06Å; W310-Y321 AromaticContact CZ2-CG 3.95Å; W310-Y321 HydrophobicContact CZ2-CG 3.95Å; W310-Y321 AromaticContact NE1-CD1 3.36Å; W310-Y321 AromaticContact NE1-CD2 3.52Å; W310-Y321 AromaticContact NE1-CE1 3.27Å; W310-Y321 VanDerWaalsContact NE1-CE1 3.27Å; W310-Y321 AromaticContact NE1-CE2 3.46Å; W310-Y321 AromaticContact NE1-CG 3.48Å; W310-Y321 AromaticContact NE1-CZ 3.33Å; W310-Y321 VanDerWaalsContact NE1-CZ 3.33Å; W310-I323 HydrophobicContact CH2-CD1 3.93Å; W310-I323 HydrophobicContact CH2-CG1 4.34Å; W310-I323 HydrophobicContact CZ3-CD1 4.28Å; W310-I323 HydrophobicContact CZ3-CG1 4.18Å; W310-V338 HydrophobicContact CH2-CG2 3.63Å; W310-V338 HydrophobicContact CZ2-CG2 3.5Å; W310-Q342 WeakPolarHBondContact CZ2-O 3.36Å; W310-Q342 PolarHBondContact NE1-O 2.74Å; W310-N343 PolarHBondContact N-O 3.02Å; W310-T345 HydrophobicContact CH2-CG2 4.32Å; W310-T345 HydrophobicContact CZ3-CG2 4.1Å; W310-V360 HydrophobicContact CB-CG1 4.24Å; W310-V360 HydrophobicContact CD2-CG1 3.78Å; W310-V360 HydrophobicContact CE3-CG1 3.93Å; W310-V360 HydrophobicContact CE3-CG2 4.12Å; W310-V360 HydrophobicContact CG-CG1 3.92Å
311G93.1Very high92.9Very high12 Ų1240.9 Ų40.912%0.12424%0.237CC..EExtended strand (participates in β ladder)trans-163.3172.7174.100000113.7A294 V295A294-G311 PolarHBondContact N-O 2.84Å; V295-G311 PolarHBondContact N-O 3.16Å; V295-G311 VanDerWaalsContact N-O 3.08Å; V295-G311 PolarHBondContact O-N 3.38Å
312P92.8Very high93.1Very high57 Ų5743.2 Ų43.237%0.3724%0.239SC..  cis-70.4158.9-9.731.3-35.6000112.3V290 S292V290-P312 HydrophobicContact CG1-CG 4.12Å; S292-P312 WeakPolarHBondContact CB-O 3.47Å; S292-P312 PolarHBondContact OG-O 3.13Å
313L90.7Very high93.5Very high69 Ų6942.4 Ų42.436%0.36123%0.232SC..  trans-74.3140.3169.1-79.6-179.7000110.8Y321 Q342 N343L313-Y321 HydrophobicContact CD2-CE2 4.02Å; L313-Q342 WeakPolarHBondContact CD2-O 3.42Å; L313-N343 HydrophobicContact CD1-CB 3.84Å; L313-N343 HydrophobicContact CD2-CB 3.71Å; L313-N343 HydrophobicContact CG-CB 3.7Å
314Q89.3Confident93.8Very high41 Ų4141.4 Ų41.419%0.19223%0.227CC..  trans-137.366.9177.9-63.9-176.4-48.900110.8V290 D316 T317 V318V290-Q314 PolarHBondContact O-NE2 3.4Å; Q314-D316 PolarHBondContact O-N 3.24Å; Q314-D316 VanDerWaalsContact O-N 3.12Å; Q314-T317 WeakPolarHBondContact CB-OG1 3.35Å; Q314-T317 PolarHBondContact O-N 3.37Å; Q314-T317 VanDerWaalsContact O-N 3.11Å; Q314-T317 PolarHBondContact O-OG1 3.13Å; Q314-V318 HydrophobicContact CB-CG2 4.07Å; Q314-V318 WeakPolarHBondContact O-CB 3.46Å; Q314-V318 PolarHBondContact O-N 3.17Å
315P86.2Confident94Very high48 Ų4839 Ų3931%0.31221%0.21SC..THydrogen-bonded Turntrans-64-19.7-171.327.9-36.1000114.2R340P315-R340 HydrophobicContact CB-CG 4.39Å; P315-R340 WeakPolarHBondContact O-CD 3.49Å; P315-R340 PolarHBondContact O-NH1 2.87Å
316D85.3Confident94Very high148 Ų14838.9 Ų38.979%0.79121%0.209SC*.THydrogen-bonded Turntrans-79.7-28.6178.1-55.5-47.4000112.4Q314Q314-D316 PolarHBondContact O-N 3.24Å; Q314-D316 VanDerWaalsContact O-N 3.12Å
317T86.6Confident94Very high64 Ų6439.4 Ų39.439%0.39321%0.214SC..THydrogen-bonded Turntrans-108-27.6-177.368.50000112.7Q314 H364 A365Q314-T317 WeakPolarHBondContact CB-OG1 3.35Å; Q314-T317 PolarHBondContact O-N 3.37Å; Q314-T317 VanDerWaalsContact O-N 3.11Å; Q314-T317 PolarHBondContact O-OG1 3.13Å; T317-H364 CarbonylContact O-C 3.55Å; T317-H364 WeakPolarHBondContact O-CA 3.24Å; T317-H364 WeakPolarHBondContact O-CB 3.21Å; T317-H364 PolarHBondContact O-ND1 2.65Å; T317-H364 PolarHBondContact OG1-ND1 2.92Å; T317-A365 PolarHBondContact O-N 2.97Å
318V92.3Very high93.7Very high2 Ų239.3 Ų39.31%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-94.5132.6180177.70000110.5Q314 Y321 R340 A362Q314-V318 HydrophobicContact CB-CG2 4.07Å; Q314-V318 WeakPolarHBondContact O-CB 3.46Å; Q314-V318 PolarHBondContact O-N 3.17Å; V318-Y321 HydrophobicContact CG1-CD1 4.45Å; V318-Y321 HydrophobicContact CG1-CD2 4.16Å; V318-Y321 HydrophobicContact CG1-CE1 4.08Å; V318-Y321 HydrophobicContact CG1-CE2 3.75Å; V318-Y321 HydrophobicContact CG1-CG 4.49Å; V318-R340 WeakPolarHBondContact O-CB 3.38Å; V318-A362 HydrophobicContact CG1-CB 4.25Å; V318-A362 HydrophobicContact CG2-CB 4.09Å
319T93.5Very high93.2Very high61 Ų6145.3 Ų45.337%0.37426%0.257SS..EExtended strand (participates in β ladder)trans-93-36.617860.40000112.4R363 A365T319-R363 PolarHBondContact N-O 2.87Å; T319-R363 PolarHBondContact OG1-O 3.17Å; T319-A365 HydrophobicContact CG2-CB 3.89Å
320S94.8Very high92.6Very high14 Ų1455.3 Ų55.310%0.09829%0.291CS..EExtended strand (participates in β ladder)trans-164.1153.8-173.940.70000110.2R363S320-R363 PolarHBondContact O-N 2.95Å; S320-R363 PolarHBondContact OG-NE 3.22Å; S320-R363 VanDerWaalsContact OG-NE 3.13Å; S320-R363 PolarHBondContact OG-NH2 2.81Å
321Y97.1Very high92.1Very high0 Ų056.7 Ų56.70%031%0.309CS..EExtended strand (participates in β ladder)trans-111.1134.4169.7-65.7-85.7000109.6S292 W310 L313 V318 T337 V338 V360 T361 A362S292-Y321 VanDerWaalsContact OG-CE1 3.28Å; S292-Y321 WeakPolarHBondContact OG-CE1 3.46Å; S292-Y321 PolarHBondContact OG-OH 2.93Å; W310-Y321 AromaticContact CD1-CD1 3.84Å; W310-Y321 AromaticContact CD1-CE1 3.48Å; W310-Y321 VanDerWaalsContact CD1-CE1 3.48Å; W310-Y321 AromaticContact CD1-CZ 3.76Å; W310-Y321 AromaticContact CE2-CD1 3.98Å; W310-Y321 AromaticContact CE2-CG 3.84Å; W310-Y321 HydrophobicContact CZ2-CD2 4.06Å; W310-Y321 AromaticContact CZ2-CG 3.95Å; W310-Y321 HydrophobicContact CZ2-CG 3.95Å; W310-Y321 AromaticContact NE1-CD1 3.36Å; W310-Y321 AromaticContact NE1-CD2 3.52Å; W310-Y321 AromaticContact NE1-CE1 3.27Å; W310-Y321 VanDerWaalsContact NE1-CE1 3.27Å; W310-Y321 AromaticContact NE1-CE2 3.46Å; W310-Y321 AromaticContact NE1-CG 3.48Å; W310-Y321 AromaticContact NE1-CZ 3.33Å; W310-Y321 VanDerWaalsContact NE1-CZ 3.33Å; L313-Y321 HydrophobicContact CD2-CE2 4.02Å; V318-Y321 HydrophobicContact CG1-CD1 4.45Å; V318-Y321 HydrophobicContact CG1-CD2 4.16Å; V318-Y321 HydrophobicContact CG1-CE1 4.08Å; V318-Y321 HydrophobicContact CG1-CE2 3.75Å; V318-Y321 HydrophobicContact CG1-CG 4.49Å; Y321-T337 WeakPolarHBondContact O-CA 3.42Å; Y321-V338 HydrophobicContact CD2-CG2 4.45Å; Y321-V338 PolarHBondContact N-O 2.93Å; Y321-V338 PolarHBondContact O-N 3.47Å; Y321-V360 HydrophobicContact CD1-CG1 4.32Å; Y321-T361 CarbonylContact C-O 3.44Å; Y321-T361 WeakPolarHBondContact CA-O 3.48Å; Y321-A362 HydrophobicContact CD1-CB 3.82Å; Y321-A362 HydrophobicContact CE1-CB 3.56Å
322Y96.6Very high92.1Very high92 Ų9263.1 Ų63.136%0.36134%0.341SS..EExtended strand (participates in β ladder)trans-112.7119177-162.8-113.8000108.9E324 T335 T337 T361Y322-E324 HydrophobicContact CD1-CG 3.46Å; Y322-E324 VanDerWaalsContact CD1-CG 3.46Å; Y322-E324 HydrophobicContact CE1-CG 3.38Å; Y322-E324 WeakPolarHBondContact CE1-OE1 2.91Å; Y322-T335 HydrophobicContact CE1-CG2 3.86Å; Y322-T335 VanDerWaalsContact CZ-CB 3.43Å; Y322-T335 WeakPolarHBondContact OH-CB 3.43Å; Y322-T335 VanDerWaalsContact OH-CG2 3.24Å; Y322-T335 WeakPolarHBondContact OH-CG2 3.18Å; Y322-T335 PolarHBondContact OH-OG1 2.86Å; Y322-T337 VanDerWaalsContact CD2-OG1 3.32Å; Y322-T337 WeakPolarHBondContact CD2-OG1 3.27Å; Y322-T361 PolarHBondContact N-O 3.14Å; Y322-T361 PolarHBondContact O-N 2.89Å
323I97.8Very high92.2Very high0 Ų065.6 Ų65.60%035%0.35CS..EExtended strand (participates in β ladder)trans-107.9117.6-178.9-58.186.4000107.4W310 Y325 T335 V336 V338 T345 L347 V358 T359 V360W310-I323 HydrophobicContact CH2-CD1 3.93Å; W310-I323 HydrophobicContact CH2-CG1 4.34Å; W310-I323 HydrophobicContact CZ3-CD1 4.28Å; W310-I323 HydrophobicContact CZ3-CG1 4.18Å; I323-Y325 HydrophobicContact CG2-CD1 4.49Å; I323-T335 CarbonylContact O-C 3.55Å; I323-T335 VanDerWaalsContact O-CA 3.22Å; I323-T335 WeakPolarHBondContact O-CA 3.38Å; I323-V336 HydrophobicContact CB-CB 4.46Å; I323-V336 WeakPolarHBondContact CD1-O 3.39Å; I323-V336 PolarHBondContact N-O 3.14Å; I323-V336 PolarHBondContact O-N 3.04Å; I323-V338 HydrophobicContact CD1-CG1 4.19Å; I323-V338 HydrophobicContact CD1-CG2 3.82Å; I323-T345 HydrophobicContact CD1-CG2 4.14Å; I323-T345 HydrophobicContact CG1-CG2 4.02Å; I323-T345 HydrophobicContact CG2-CG2 4.49Å; I323-L347 HydrophobicContact CG2-CD2 4.22Å; I323-V358 HydrophobicContact CG2-CG1 3.61Å; I323-T359 CarbonylContact C-O 3.46Å; I323-T359 WeakPolarHBondContact CA-O 3.46Å; I323-V360 HydrophobicContact CG1-CG1 4.41Å; I323-V360 HydrophobicContact CG1-CG2 4.21Å; I323-V360 HydrophobicContact CG2-CG2 4.49Å
324E97.4Very high92.4Very high58 Ų5865.8 Ų65.827%0.27135%0.349SS..EExtended strand (participates in β ladder)trans-111.3135.1177.6-62.4-172.1115.600109.4Y322 L333 Q334 T335 V358 T359Y322-E324 HydrophobicContact CD1-CG 3.46Å; Y322-E324 VanDerWaalsContact CD1-CG 3.46Å; Y322-E324 HydrophobicContact CE1-CG 3.38Å; Y322-E324 WeakPolarHBondContact CE1-OE1 2.91Å; E324-L333 HydrophobicContact CB-CD1 4.04Å; E324-Q334 CarbonylContact C-O 3.53Å; E324-Q334 WeakPolarHBondContact CA-O 2.97Å; E324-T335 HydrophobicContact CB-CG2 4.44Å; E324-T335 HydrophobicContact CG-CG2 3.88Å; E324-V358 CarbonylContact O-C 3.3Å; E324-V358 WeakPolarHBondContact O-CA 3.48Å; E324-T359 PolarHBondContact N-O 2.71Å; E324-T359 PolarHBondContact O-N 2.96Å
325Y97.2Very high92.7Very high20 Ų2066.7 Ų66.78%0.07836%0.358CS..EExtended strand (participates in β ladder)trans-148.7144.5-18061.7-75.8000112.4I323 Q334 V336 L347 L350 Y356 L357I323-Y325 HydrophobicContact CG2-CD1 4.49Å; Y325-Q334 HydrophobicContact CD1-CB 4.17Å; Y325-Q334 WeakPolarHBondContact CD1-O 3.17Å; Y325-Q334 HydrophobicContact CD2-CB 4.12Å; Y325-Q334 HydrophobicContact CE1-CB 3.67Å; Y325-Q334 HydrophobicContact CE2-CB 3.66Å; Y325-Q334 HydrophobicContact CE2-CG 4.36Å; Y325-Q334 HydrophobicContact CG-CB 4.36Å; Y325-Q334 PolarHBondContact N-O 3.2Å; Y325-Q334 PolarHBondContact O-N 3.45Å; Y325-V336 HydrophobicContact CE1-CG2 4.01Å; Y325-L347 HydrophobicContact CD1-CD1 4.09Å; Y325-L347 HydrophobicContact CD1-CD2 3.95Å; Y325-L347 HydrophobicContact CD2-CD1 4.13Å; Y325-L347 HydrophobicContact CE1-CD2 3.74Å; Y325-L347 HydrophobicContact CG-CD1 3.91Å; Y325-L350 HydrophobicContact CD2-CD2 3.93Å; Y325-L350 HydrophobicContact CE2-CD2 3.54Å; Y325-Y356 HydrophobicContact CD2-CD1 4.1Å; Y325-Y356 HydrophobicContact CD2-CE1 4.43Å; Y325-L357 VanDerWaalsContact CA-O 3.23Å; Y325-L357 WeakPolarHBondContact CA-O 3.23Å
326S96.8Very high93.2Very high28 Ų2866.4 Ų66.420%0.19636%0.355CS..EExtended strand (participates in β ladder)trans-149147.417861.50000111Y356 L357S326-Y356 VanDerWaalsContact C-CD1 3.43Å; S326-Y356 VanDerWaalsContact O-CA 3.27Å; S326-Y356 WeakPolarHBondContact O-CA 3.4Å; S326-L357 PolarHBondContact N-O 2.92Å; S326-L357 PolarHBondContact O-N 2.77Å
327A95.8Very high93.8Very high12 Ų1263.5 Ų63.510%0.09934%0.342CS..EExtended strand (participates in β ladder)trans-70.7136.4175.800000110.3R330 G331 T354 Y356A327-R330 CarbonylContact O-C 3.16Å; A327-R330 PolarHBondContact O-N 2.88Å; A327-G331 PolarHBondContact O-N 3.23Å; A327-G331 VanDerWaalsContact O-N 3.16Å; A327-T354 HydrophobicContact CB-CG2 3.85Å; A327-Y356 HydrophobicContact CB-CD1 4.12Å; A327-Y356 HydrophobicContact CB-CE1 3.77Å
328L92.5Very high94.3Very high67 Ų6761 Ų6135%0.35133%0.327SS..SBendtrans-92.1144.2174.2-64.9179.1000110.6I355 L357 K375L328-I355 HydrophobicContact CD1-CG2 4.16Å; L328-I355 PolarHBondContact N-O 2.8Å; L328-L357 HydrophobicContact CD1-CB 4.25Å; L328-L357 HydrophobicContact CD2-CB 4.24Å; L328-L357 HydrophobicContact CG-CB 4.27Å; L328-K375 HydrophobicContact CD1-CD 4.42Å
329P86.4Confident94.4Very high127 Ų12762.7 Ų62.783%0.82535%0.345SS*.SBendcis-86-13-0.334.8-35.2000113.5
330R86.1Confident94.4Very high231 Ų23166.4 Ų66.487%0.87235%0.352SS*.SBendtrans-136.1124-178.8-64.3-176.6-177.6-1730.6108.7A327A327-R330 CarbonylContact O-C 3.16Å; A327-R330 PolarHBondContact O-N 2.88Å
331G86.2Confident94.4Very high40 Ų4070 Ų7041%0.41238%0.377SS..  trans-165.4153.2178.300000109.6A327A327-G331 PolarHBondContact O-N 3.23Å; A327-G331 VanDerWaalsContact O-N 3.16Å
332N92.3Very high94.3Very high147 Ų14774.7 Ų74.779%0.78640%0.399SS*.  trans-72.8140.4175.2-66.5-25.1000109.6Q334N332-Q334 PolarHBondContact O-N 2.96Å
333L94.4Very high94.2Very high108 Ų10874 Ų7457%0.56540%0.402SS*.  trans-67.9122.8175.4-172.166.4000109.4E324 T335E324-L333 HydrophobicContact CB-CD1 4.04Å; L333-T335 HydrophobicContact CD2-CG2 4.5Å; L333-T335 HydrophobicContact CG-CG2 4.22Å
334Q95.9Very high94.2Very high74 Ų7475 Ų7535%0.34641%0.409SS..EExtended strand (participates in β ladder)trans-112.3145.7173-66.9-179.2-38.100108.9E324 Y325 N332E324-Q334 CarbonylContact C-O 3.53Å; E324-Q334 WeakPolarHBondContact CA-O 2.97Å; Y325-Q334 HydrophobicContact CD1-CB 4.17Å; Y325-Q334 WeakPolarHBondContact CD1-O 3.17Å; Y325-Q334 HydrophobicContact CD2-CB 4.12Å; Y325-Q334 HydrophobicContact CE1-CB 3.67Å; Y325-Q334 HydrophobicContact CE2-CB 3.66Å; Y325-Q334 HydrophobicContact CE2-CG 4.36Å; Y325-Q334 HydrophobicContact CG-CB 4.36Å; Y325-Q334 PolarHBondContact N-O 3.2Å; Y325-Q334 PolarHBondContact O-N 3.45Å; N332-Q334 PolarHBondContact O-N 2.96Å
335T96.6Very high94.2Very high60 Ų6073.2 Ų73.237%0.36840%0.402SS..EExtended strand (participates in β ladder)trans-135.3145.9-175.569.90000112Y322 I323 E324 L333Y322-T335 HydrophobicContact CE1-CG2 3.86Å; Y322-T335 VanDerWaalsContact CZ-CB 3.43Å; Y322-T335 WeakPolarHBondContact OH-CB 3.43Å; Y322-T335 VanDerWaalsContact OH-CG2 3.24Å; Y322-T335 WeakPolarHBondContact OH-CG2 3.18Å; Y322-T335 PolarHBondContact OH-OG1 2.86Å; I323-T335 CarbonylContact O-C 3.55Å; I323-T335 VanDerWaalsContact O-CA 3.22Å; I323-T335 WeakPolarHBondContact O-CA 3.38Å; E324-T335 HydrophobicContact CB-CG2 4.44Å; E324-T335 HydrophobicContact CG-CG2 3.88Å; L333-T335 HydrophobicContact CD2-CG2 4.5Å; L333-T335 HydrophobicContact CG-CG2 4.22Å
336V96.7Very high94.2Very high41 Ų4174.3 Ų74.325%0.24841%0.409CS..EExtended strand (participates in β ladder)trans-135.8129.8176.81740000108I323 Y325 V338 L347I323-V336 HydrophobicContact CB-CB 4.46Å; I323-V336 WeakPolarHBondContact CD1-O 3.39Å; I323-V336 PolarHBondContact N-O 3.14Å; I323-V336 PolarHBondContact O-N 3.04Å; Y325-V336 HydrophobicContact CE1-CG2 4.01Å; V336-V338 HydrophobicContact CG1-CG1 4.01Å; V336-L347 HydrophobicContact CG2-CD2 4.42Å
337T96.9Very high94.2Very high87 Ų8773 Ų7353%0.53440%0.4SS..EExtended strand (participates in β ladder)trans-104.9130.9173.6-53.50000109.1Y321 Y322Y321-T337 WeakPolarHBondContact O-CA 3.42Å; Y322-T337 VanDerWaalsContact CD2-OG1 3.32Å; Y322-T337 WeakPolarHBondContact CD2-OG1 3.27Å
338V96.8Very high94.2Very high12 Ų1280.2 Ų80.27%0.07343%0.425CS..EExtended strand (participates in β ladder)trans-124.4159.4173.6-55.60000111.7W310 Y321 I323 V336 Q342W310-V338 HydrophobicContact CH2-CG2 3.63Å; W310-V338 HydrophobicContact CZ2-CG2 3.5Å; Y321-V338 HydrophobicContact CD2-CG2 4.45Å; Y321-V338 PolarHBondContact N-O 2.93Å; Y321-V338 PolarHBondContact O-N 3.47Å; I323-V338 HydrophobicContact CD1-CG1 4.19Å; I323-V338 HydrophobicContact CD1-CG2 3.82Å; V336-V338 HydrophobicContact CG1-CG1 4.01Å; V338-Q342 HydrophobicContact CB-CB 4.13Å; V338-Q342 HydrophobicContact CG2-CB 4.04Å
339G94.9Very high94.2Very high38 Ų3883.9 Ų83.939%0.39245%0.445SS..EExtended strand (participates in β ladder)trans-69.9160.9-178.900000113.3S341 Q342G339-S341 PolarHBondContact O-N 2.87Å; G339-S341 VanDerWaalsContact O-N 3.11Å; G339-Q342 PolarHBondContact O-N 2.82Å
340R94Very high94.6Very high138 Ų13878.1 Ų78.152%0.52141%0.407SS..THydrogen-bonded Turntrans-56.9-23.2-179.766.2-174.5-175.4163.1-6.3116.2P315 V318P315-R340 HydrophobicContact CB-CG 4.39Å; P315-R340 WeakPolarHBondContact O-CD 3.49Å; P315-R340 PolarHBondContact O-NH1 2.87Å; V318-R340 WeakPolarHBondContact O-CB 3.38Å
341S93.5Very high94.9Very high90 Ų9072.2 Ų72.263%0.62939%0.392SS*.THydrogen-bonded Turntrans-92.2-6.8179.953.70000113.4G339G339-S341 PolarHBondContact O-N 2.87Å; G339-S341 VanDerWaalsContact O-N 3.11Å
342Q95Very high95Very high98 Ų9872.5 Ų72.546%0.45839%0.387SS..  trans-89.2132.7178-60.9-144.2-64.100110.4W310 L313 V338 G339W310-Q342 WeakPolarHBondContact CZ2-O 3.36Å; W310-Q342 PolarHBondContact NE1-O 2.74Å; L313-Q342 WeakPolarHBondContact CD2-O 3.42Å; V338-Q342 HydrophobicContact CB-CB 4.13Å; V338-Q342 HydrophobicContact CG2-CB 4.04Å; G339-Q342 PolarHBondContact O-N 2.82Å
343N96Very high94.8Very high77 Ų7766.4 Ų66.441%0.41236%0.358SS..  trans-109.72.6174.966.6-11.7000113S309 W310 L313S309-N343 CarbonylContact C-O 3.42Å; S309-N343 WeakPolarHBondContact CA-O 3.38Å; S309-N343 WeakPolarHBondContact CB-O 3.3Å; W310-N343 PolarHBondContact N-O 3.02Å; L313-N343 HydrophobicContact CD1-CB 3.84Å; L313-N343 HydrophobicContact CD2-CB 3.71Å; L313-N343 HydrophobicContact CG-CB 3.7Å
344S97.1Very high94.6Very high23 Ų2362.7 Ų62.716%0.16134%0.34CS..EExtended strand (participates in β ladder)trans-152.8155.3-18065.20000111.8V308 S309V308-S344 CarbonylContact O-C 3.51Å; V308-S344 WeakPolarHBondContact O-CA 3.3Å; V308-S344 WeakPolarHBondContact O-CB 3.36Å; S309-S344 WeakPolarHBondContact OG-CB 3.39Å
345T97.1Very high94.5Very high20 Ų2063.1 Ų63.112%0.12334%0.344CS..EExtended strand (participates in β ladder)trans-143.9146.3170.6-168.90000110.1R307 V308 W310 I323 L347R307-T345 WeakPolarHBondContact CA-O 3.38Å; V308-T345 PolarHBondContact N-O 3.43Å; V308-T345 PolarHBondContact O-N 3.43Å; W310-T345 HydrophobicContact CH2-CG2 4.32Å; W310-T345 HydrophobicContact CZ3-CG2 4.1Å; I323-T345 HydrophobicContact CD1-CG2 4.14Å; I323-T345 HydrophobicContact CG1-CG2 4.02Å; I323-T345 HydrophobicContact CG2-CG2 4.49Å; T345-L347 HydrophobicContact CG2-CD2 3.92Å
346L97.2Very high94.5Very high42 Ų4260.9 Ų60.922%0.2233%0.329CS..EExtended strand (participates in β ladder)trans-96109.3173.8-175.868.6000108.4R307 R348R307-L346 HydrophobicContact CB-CD1 4.02Å; L346-R348 HydrophobicContact CD2-CG 4.31Å; L346-R348 HydrophobicContact CG-CG 4.21Å
347L96.9Very high94.5Very high2 Ų261.8 Ų61.81%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-73.1131.6171.4-54.3-176.6000108S305 V306 V308 I323 Y325 V336 T345 L350 V358S305-L347 CarbonylContact C-O 3.6Å; S305-L347 WeakPolarHBondContact CA-O 3.29Å; S305-L347 WeakPolarHBondContact CB-O 3.34Å; V306-L347 PolarHBondContact N-O 3.17Å; V306-L347 PolarHBondContact O-N 3.23Å; V308-L347 HydrophobicContact CG2-CD1 3.82Å; V308-L347 HydrophobicContact CG2-CG 4.22Å; I323-L347 HydrophobicContact CG2-CD2 4.22Å; Y325-L347 HydrophobicContact CD1-CD1 4.09Å; Y325-L347 HydrophobicContact CD1-CD2 3.95Å; Y325-L347 HydrophobicContact CD2-CD1 4.13Å; Y325-L347 HydrophobicContact CE1-CD2 3.74Å; Y325-L347 HydrophobicContact CG-CD1 3.91Å; V336-L347 HydrophobicContact CG2-CD2 4.42Å; T345-L347 HydrophobicContact CG2-CD2 3.92Å; L347-L350 HydrophobicContact CB-CD1 4.09Å; L347-L350 HydrophobicContact CB-CD2 4.39Å; L347-L350 HydrophobicContact CB-CG 4.49Å; L347-V358 HydrophobicContact CD1-CG1 4.32Å; L347-V358 HydrophobicContact CD1-CG2 3.74Å
348R95.1Very high94.6Very high162 Ų16257.6 Ų57.661%0.61131%0.307SS*.  trans-126.5168.2-175.1-64.6178.6-178.5-101.14.8110.2T304 L346 L350T304-R348 CarbonylContact O-C 3.49Å; L346-R348 HydrophobicContact CD2-CG 4.31Å; L346-R348 HydrophobicContact CG-CG 4.21Å; R348-L350 PolarHBondContact O-N 3.27Å
349N93.7Very high94.6Very high145 Ų14558.3 Ų58.378%0.77531%0.311SS*.SBendtrans58.833.6179.6-52.3-35.7000112.5T304T304-N349 PolarHBondContact O-N 2.61Å
350L94.4Very high94.8Very high6 Ų656.5 Ų56.53%0.03129%0.292CS..PPolyproline II helixtrans-80.5155.9174-54.5-179.2000110.2T304 V306 Y325 L347 R348 Y356 T378T304-L350 WeakPolarHBondContact CA-O 3.28Å; T304-L350 WeakPolarHBondContact CB-O 3.46Å; T304-L350 WeakPolarHBondContact O-CB 3.35Å; T304-L350 PolarHBondContact O-N 3.21Å; V306-L350 HydrophobicContact CB-CD1 4.18Å; V306-L350 HydrophobicContact CG2-CD1 3.95Å; Y325-L350 HydrophobicContact CD2-CD2 3.93Å; Y325-L350 HydrophobicContact CE2-CD2 3.54Å; L347-L350 HydrophobicContact CB-CD1 4.09Å; L347-L350 HydrophobicContact CB-CD2 4.39Å; L347-L350 HydrophobicContact CB-CG 4.49Å; R348-L350 PolarHBondContact O-N 3.27Å; L350-Y356 HydrophobicContact CB-CE2 4Å; L350-Y356 HydrophobicContact CD2-CD1 4.29Å; L350-Y356 HydrophobicContact CD2-CE1 3.86Å; L350-Y356 HydrophobicContact CD2-CE2 4.3Å; L350-T378 HydrophobicContact CB-CG2 3.69Å; L350-T378 HydrophobicContact CD1-CG2 3.7Å; L350-T378 HydrophobicContact CG-CG2 4.37Å
351L91.5Very high94.9Very high106 Ų10650.5 Ų50.556%0.55527%0.271SS*.PPolyproline II helixtrans-77.3134.5172.6-64.3175.6000109.5T354 Y356 T378L351-T354 HydrophobicContact CB-CG2 4.44Å; L351-T354 WeakPolarHBondContact CB-OG1 3.31Å; L351-T354 WeakPolarHBondContact O-CB 3.15Å; L351-T354 PolarHBondContact O-OG1 2.88Å; L351-Y356 PolarHBondContact N-OH 3.22Å; L351-T378 WeakPolarHBondContact O-CB 3.48Å; L351-T378 PolarHBondContact O-OG1 3.04Å
352P90.1Very high95Very high47 Ų4746.2 Ų46.231%0.30524%0.241SC..THydrogen-bonded Turntrans-61.4151.7174.3-24.434.5000113.8E303 T304 T354 Q379 V381E303-P352 HydrophobicContact CB-CB 4.4Å; E303-P352 HydrophobicContact CB-CG 4.33Å; E303-P352 WeakPolarHBondContact O-CA 3.34Å; T304-P352 HydrophobicContact CG2-CG 4.13Å; P352-T354 PolarHBondContact O-N 2.67Å; P352-T354 VanDerWaalsContact O-N 3.11Å; P352-T354 PolarHBondContact O-OG1 2.74Å; P352-Q379 CarbonylContact C-O 3.5Å; P352-Q379 WeakPolarHBondContact CA-O 3.48Å; P352-Q379 WeakPolarHBondContact CB-O 3.43Å; P352-V381 HydrophobicContact CB-CG2 3.48Å; P352-V381 VanDerWaalsContact CB-CG2 3.48Å; P352-V381 HydrophobicContact CG-CG2 3.49Å; P352-V381 VanDerWaalsContact CG-CG2 3.49Å
353G87.5Confident95Very high18 Ų1847.5 Ų47.519%0.18624%0.242CC..THydrogen-bonded Turntrans55.927.9176.300000114.6T378 Q379G353-T378 WeakPolarHBondContact CA-O 3.47Å; G353-T378 PolarHBondContact N-O 2.85Å; G353-T378 PolarHBondContact N-OG1 2.69Å; G353-T378 VanDerWaalsContact N-OG1 3.15Å; G353-Q379 PolarHBondContact N-O 3.35Å
354T90.8Very high94.6Very high31 Ų3144.7 Ų44.719%0.1923%0.226CC..  trans-119138-169.8-59.70000110.7A327 L351 P352 Y356 T378A327-T354 HydrophobicContact CB-CG2 3.85Å; L351-T354 HydrophobicContact CB-CG2 4.44Å; L351-T354 WeakPolarHBondContact CB-OG1 3.31Å; L351-T354 WeakPolarHBondContact O-CB 3.15Å; L351-T354 PolarHBondContact O-OG1 2.88Å; P352-T354 PolarHBondContact O-N 2.67Å; P352-T354 VanDerWaalsContact O-N 3.11Å; P352-T354 PolarHBondContact O-OG1 2.74Å; T354-Y356 HydrophobicContact CG2-CD2 4.11Å; T354-Y356 HydrophobicContact CG2-CE2 3.65Å; T354-T378 PolarHBondContact N-OG1 3.48Å; T354-T378 PolarHBondContact O-N 3.28Å; T354-T378 VanDerWaalsContact O-N 3.11Å; T354-T378 PolarHBondContact O-OG1 2.83Å
355I93.8Very high94.1Very high83 Ų8347.3 Ų47.343%0.42625%0.249SC..EExtended strand (participates in β ladder)trans-89127176.6-58.1174.1000109.1L328 K375 V376 C377L328-I355 HydrophobicContact CD1-CG2 4.16Å; L328-I355 PolarHBondContact N-O 2.8Å; I355-K375 HydrophobicContact CG2-CB 4.4Å; I355-V376 CarbonylContact C-O 3.51Å; I355-V376 VanDerWaalsContact CA-O 3.25Å; I355-V376 WeakPolarHBondContact CA-O 3.39Å; I355-C377 HydrophobicContact CG1-CB 4.32Å
356Y96.1Very high93.4Very high13 Ų1350.7 Ų50.75%0.05127%0.274CS..EExtended strand (participates in β ladder)trans-110.8143.7173.1-70.9-104.6000110.2Y325 S326 A327 L350 L351 T354 K375 V376 T378Y325-Y356 HydrophobicContact CD2-CD1 4.1Å; Y325-Y356 HydrophobicContact CD2-CE1 4.43Å; S326-Y356 VanDerWaalsContact C-CD1 3.43Å; S326-Y356 VanDerWaalsContact O-CA 3.27Å; S326-Y356 WeakPolarHBondContact O-CA 3.4Å; A327-Y356 HydrophobicContact CB-CD1 4.12Å; A327-Y356 HydrophobicContact CB-CE1 3.77Å; L350-Y356 HydrophobicContact CB-CE2 4Å; L350-Y356 HydrophobicContact CD2-CD1 4.29Å; L350-Y356 HydrophobicContact CD2-CE1 3.86Å; L350-Y356 HydrophobicContact CD2-CE2 4.3Å; L351-Y356 PolarHBondContact N-OH 3.22Å; T354-Y356 HydrophobicContact CG2-CD2 4.11Å; T354-Y356 HydrophobicContact CG2-CE2 3.65Å; Y356-K375 WeakPolarHBondContact O-CA 3.29Å; Y356-V376 PolarHBondContact N-O 3.38Å; Y356-V376 WeakPolarHBondContact O-CG2 3.41Å; Y356-V376 PolarHBondContact O-N 3.01Å; Y356-T378 HydrophobicContact CE2-CG2 4.46Å
357L97.1Very high92.8Very high59 Ų5951.3 Ų51.331%0.30929%0.29SS..EExtended strand (participates in β ladder)trans-93.4121.9162.3179.965.5000107.3Y325 S326 L328 K375Y325-L357 VanDerWaalsContact CA-O 3.23Å; Y325-L357 WeakPolarHBondContact CA-O 3.23Å; S326-L357 PolarHBondContact N-O 2.92Å; S326-L357 PolarHBondContact O-N 2.77Å; L328-L357 HydrophobicContact CD1-CB 4.25Å; L328-L357 HydrophobicContact CD2-CB 4.24Å; L328-L357 HydrophobicContact CG-CB 4.27Å; L357-K375 HydrophobicContact CD1-CG 4.17Å
358V97.8Very high92.3Very high0 Ų057.7 Ų57.70%032%0.318CS..EExtended strand (participates in β ladder)trans-112.5129.9176.6-179.20000108.8V308 I323 E324 L347 V360 S373 V374 V376V308-V358 HydrophobicContact CG1-CG1 4.12Å; V308-V358 HydrophobicContact CG2-CG1 4.16Å; V308-V358 HydrophobicContact CG2-CG2 4.33Å; I323-V358 HydrophobicContact CG2-CG1 3.61Å; E324-V358 CarbonylContact O-C 3.3Å; E324-V358 WeakPolarHBondContact O-CA 3.48Å; L347-V358 HydrophobicContact CD1-CG1 4.32Å; L347-V358 HydrophobicContact CD1-CG2 3.74Å; V358-V360 HydrophobicContact CG1-CG2 4.49Å; V358-S373 CarbonylContact O-C 3.43Å; V358-S373 WeakPolarHBondContact O-CA 3.48Å; V358-V374 HydrophobicContact CB-CG1 4.27Å; V358-V374 PolarHBondContact N-O 3.21Å; V358-V374 PolarHBondContact O-N 2.93Å; V358-V376 HydrophobicContact CB-CG2 4.38Å; V358-V376 HydrophobicContact CG2-CG2 3.33Å
359T97.7Very high92.2Very high27 Ų2756.3 Ų56.317%0.16632%0.318CS..EExtended strand (participates in β ladder)trans-116.5124.5174.1-59.50000109I323 E324 M372 S373I323-T359 CarbonylContact C-O 3.46Å; I323-T359 WeakPolarHBondContact CA-O 3.46Å; E324-T359 PolarHBondContact N-O 2.71Å; E324-T359 PolarHBondContact O-N 2.96Å; T359-M372 WeakPolarHBondContact CA-O 3.35Å; T359-S373 WeakPolarHBondContact CG2-OG 3.45Å; T359-S373 PolarHBondContact OG1-OG 2.89Å
360V97.9Very high92.2Very high0 Ų052.4 Ų52.40%029%0.294CS..EExtended strand (participates in β ladder)trans-103.9123.7173.4-177.80000108.1P293 V296 V308 W310 Y321 I323 V358 S371 M372P293-V360 HydrophobicContact CG-CB 4.49Å; P293-V360 HydrophobicContact CG-CG1 4.38Å; P293-V360 WeakPolarHBondContact CG-O 3.45Å; V296-V360 HydrophobicContact CG1-CG2 3.91Å; V296-V360 HydrophobicContact CG2-CB 4.01Å; V296-V360 HydrophobicContact CG2-CG2 4.04Å; V308-V360 HydrophobicContact CG1-CG2 3.92Å; W310-V360 HydrophobicContact CB-CG1 4.24Å; W310-V360 HydrophobicContact CD2-CG1 3.78Å; W310-V360 HydrophobicContact CE3-CG1 3.93Å; W310-V360 HydrophobicContact CE3-CG2 4.12Å; W310-V360 HydrophobicContact CG-CG1 3.92Å; Y321-V360 HydrophobicContact CD1-CG1 4.32Å; I323-V360 HydrophobicContact CG1-CG1 4.41Å; I323-V360 HydrophobicContact CG1-CG2 4.21Å; I323-V360 HydrophobicContact CG2-CG2 4.49Å; V358-V360 HydrophobicContact CG1-CG2 4.49Å; V360-S371 CarbonylContact O-C 3.59Å; V360-S371 VanDerWaalsContact O-CA 3.27Å; V360-S371 WeakPolarHBondContact O-CA 3.46Å; V360-M372 PolarHBondContact N-O 2.81Å; V360-M372 PolarHBondContact O-N 2.97Å
361T97.1Very high92.3Very high11 Ų1155.3 Ų55.37%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-117.6121.8179.5-60.60000110.1Y321 Y322 Q369 K370 S371Y321-T361 CarbonylContact C-O 3.44Å; Y321-T361 WeakPolarHBondContact CA-O 3.48Å; Y322-T361 PolarHBondContact N-O 3.14Å; Y322-T361 PolarHBondContact O-N 2.89Å; T361-Q369 HydrophobicContact CG2-CB 4.09Å; T361-Q369 HydrophobicContact CG2-CG 4.45Å; T361-K370 CarbonylContact C-O 3.54Å; T361-K370 WeakPolarHBondContact CA-O 3.36Å; T361-S371 WeakPolarHBondContact CB-OG 3.37Å; T361-S371 VanDerWaalsContact CG2-OG 3.31Å; T361-S371 WeakPolarHBondContact CG2-OG 3.31Å; T361-S371 WeakPolarHBondContact OG1-CB 3.28Å; T361-S371 PolarHBondContact OG1-OG 2.8Å
362A95.9Very high92.5Very high0 Ų053.5 Ų53.50%030%0.304CS..EExtended strand (participates in β ladder)trans-86.9131.1169.200000109.8S292 V318 Y321 Q369 K370S292-A362 WeakPolarHBondContact O-CB 3.44Å; V318-A362 HydrophobicContact CG1-CB 4.25Å; V318-A362 HydrophobicContact CG2-CB 4.09Å; Y321-A362 HydrophobicContact CD1-CB 3.82Å; Y321-A362 HydrophobicContact CE1-CB 3.56Å; A362-Q369 VanDerWaalsContact O-CA 3.29Å; A362-Q369 WeakPolarHBondContact O-CA 3.22Å; A362-K370 PolarHBondContact N-O 3.45Å; A362-K370 PolarHBondContact O-N 3.09Å; A362-K370 VanDerWaalsContact O-N 3.15Å
363R94.1Very high92.8Very high126 Ų12654.4 Ų54.448%0.47531%0.312SS..EExtended strand (participates in β ladder)trans-106.4114.3173.2-175.4171.462.2152.90.9110.2T319 S320 Q369T319-R363 PolarHBondContact N-O 2.87Å; T319-R363 PolarHBondContact OG1-O 3.17Å; S320-R363 PolarHBondContact O-N 2.95Å; S320-R363 PolarHBondContact OG-NE 3.22Å; S320-R363 VanDerWaalsContact OG-NE 3.13Å; S320-R363 PolarHBondContact OG-NH2 2.81Å; R363-Q369 HydrophobicContact CB-CG 4.46Å; R363-Q369 HydrophobicContact CG-CG 4.32Å
364H88.6Confident93.3Very high17 Ų1755.2 Ų55.28%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-82.9155.7-179.1-66.2-98.6000112.2T317 S366 G367 K368T317-H364 CarbonylContact O-C 3.55Å; T317-H364 WeakPolarHBondContact O-CA 3.24Å; T317-H364 WeakPolarHBondContact O-CB 3.21Å; T317-H364 PolarHBondContact O-ND1 2.65Å; T317-H364 PolarHBondContact OG1-ND1 2.92Å; H364-S366 PolarHBondContact O-N 2.71Å; H364-G367 PolarHBondContact O-N 2.68Å; H364-K368 HydrophobicContact CB-CB 4.47Å; H364-K368 WeakPolarHBondContact CB-O 3.39Å; H364-K368 PolarHBondContact N-O 3.12Å
365A84.9Confident93.6Very high78 Ų7860.8 Ų60.865%0.64534%0.335SS*.THydrogen-bonded Turntrans-60.8-25.9176.400000112.5T317 T319 G367T317-A365 PolarHBondContact O-N 2.97Å; T319-A365 HydrophobicContact CG2-CB 3.89Å; A365-G367 PolarHBondContact O-N 2.91Å
366S83.9Confident93.6Very high92 Ų9257.1 Ų57.164%0.64332%0.316SS*.THydrogen-bonded Turntrans-71.3-7.117360.30000114.3H364 K368H364-S366 PolarHBondContact O-N 2.71Å; S366-K368 VanDerWaalsContact C-N 3.29Å; S366-K368 PolarHBondContact O-N 3.49Å; S366-K368 PolarHBondContact OG-N 3.24Å
367G84.7Confident93.4Very high55 Ų5559.7 Ų59.757%0.56734%0.336SS*.SBendtrans86-10.5-172.900000114.4H364 A365H364-G367 PolarHBondContact O-N 2.68Å; A365-G367 PolarHBondContact O-N 2.91Å
368K86.6Confident93.2Very high136 Ų13657.1 Ų57.159%0.59132%0.322SS*.  trans-64.8146.7173.4-68.7-174.5177.9-177.80111.1H364 S366H364-K368 HydrophobicContact CB-CB 4.47Å; H364-K368 WeakPolarHBondContact CB-O 3.39Å; H364-K368 PolarHBondContact N-O 3.12Å; S366-K368 VanDerWaalsContact C-N 3.29Å; S366-K368 PolarHBondContact O-N 3.49Å; S366-K368 PolarHBondContact OG-N 3.24Å
369Q92.8Very high92.8Very high133 Ų13362.5 Ų62.562%0.62135%0.347SS*.EExtended strand (participates in β ladder)trans-126.8141175.5-65.3-177.3-2.600110.2T361 A362 R363T361-Q369 HydrophobicContact CG2-CB 4.09Å; T361-Q369 HydrophobicContact CG2-CG 4.45Å; A362-Q369 VanDerWaalsContact O-CA 3.29Å; A362-Q369 WeakPolarHBondContact O-CA 3.22Å; R363-Q369 HydrophobicContact CB-CG 4.46Å; R363-Q369 HydrophobicContact CG-CG 4.32Å
370K93.2Very high92.2Very high63 Ų6362 Ų6227%0.27434%0.343SS..EExtended strand (participates in β ladder)trans-131135.5172.3-178.7173.8-179.8179.80109.2E291 S292 P293 T361 A362E291-K370 HydrophobicContact CB-CD 3.48Å; E291-K370 VanDerWaalsContact CB-CD 3.48Å; E291-K370 WeakPolarHBondContact O-CE 3.37Å; E291-K370 PolarHBondContact O-NZ 3.21Å; S292-K370 WeakPolarHBondContact O-CB 3.21Å; P293-K370 VanDerWaalsContact CD-O 3.25Å; P293-K370 WeakPolarHBondContact CD-O 3.35Å; P293-K370 WeakPolarHBondContact O-CE 3.3Å; T361-K370 CarbonylContact C-O 3.54Å; T361-K370 WeakPolarHBondContact CA-O 3.36Å; A362-K370 PolarHBondContact N-O 3.45Å; A362-K370 PolarHBondContact O-N 3.09Å; A362-K370 VanDerWaalsContact O-N 3.15Å
371S96.1Very high91.5Very high66 Ų6664.8 Ų64.846%0.46236%0.36SS..EExtended strand (participates in β ladder)trans-128.2147.4-173.6-53.20000111.4V360 T361V360-S371 CarbonylContact O-C 3.59Å; V360-S371 VanDerWaalsContact O-CA 3.27Å; V360-S371 WeakPolarHBondContact O-CA 3.46Å; T361-S371 WeakPolarHBondContact CB-OG 3.37Å; T361-S371 VanDerWaalsContact CG2-OG 3.31Å; T361-S371 WeakPolarHBondContact CG2-OG 3.31Å; T361-S371 WeakPolarHBondContact OG1-CB 3.28Å; T361-S371 PolarHBondContact OG1-OG 2.8Å
372M96.4Very high90.7Very high68 Ų6866.3 Ų66.334%0.33537%0.369SS..EExtended strand (participates in β ladder)trans-140.7141170.9178.5167.3-78.700109.7P293 A294 V295 V296 T359 V360P293-M372 HydrophobicContact CB-CB 4.47Å; P293-M372 HydrophobicContact CG-CB 3.93Å; A294-M372 WeakPolarHBondContact O-CE 3.3Å; V295-M372 VanDerWaalsContact CA-SD 3.54Å; V296-M372 HydrophobicContact CB-CG 4.23Å; V296-M372 HydrophobicContact CB-SD 4.33Å; V296-M372 HydrophobicContact CG2-CB 3.73Å; V296-M372 HydrophobicContact CG2-CG 3.71Å; V296-M372 HydrophobicContact CG2-SD 4.01Å; T359-M372 WeakPolarHBondContact CA-O 3.35Å; V360-M372 PolarHBondContact N-O 2.81Å; V360-M372 PolarHBondContact O-N 2.97Å
373S96.9Very high90.1Very high66 Ų6668.7 Ų68.746%0.46239%0.385SS..EExtended strand (participates in β ladder)trans-118.8147.1-176.4-52.20000112.3V358 T359V358-S373 CarbonylContact O-C 3.43Å; V358-S373 WeakPolarHBondContact O-CA 3.48Å; T359-S373 WeakPolarHBondContact CG2-OG 3.45Å; T359-S373 PolarHBondContact OG1-OG 2.89Å
374V97.1Very high89.4Confident35 Ų3565.2 Ų65.221%0.21238%0.383CS..EExtended strand (participates in β ladder)trans-139.6148.5176.469.40000110.2V296 V298 V358 V376V296-V374 HydrophobicContact CG1-CB 4.31Å; V296-V374 HydrophobicContact CG1-CG1 3.7Å; V298-V374 HydrophobicContact CG2-CG1 4Å; V298-V374 HydrophobicContact CG2-CG2 3.99Å; V358-V374 HydrophobicContact CB-CG1 4.27Å; V358-V374 PolarHBondContact N-O 3.21Å; V358-V374 PolarHBondContact O-N 2.93Å; V374-V376 HydrophobicContact CG1-CG1 4.48Å
375K96.1Very high89.3Confident148 Ų14865 Ų6564%0.64338%0.382SS*.EExtended strand (participates in β ladder)trans-91.8135.6169.4-70.4-179.6-179174.90109.8L328 I355 Y356 L357L328-K375 HydrophobicContact CD1-CD 4.42Å; I355-K375 HydrophobicContact CG2-CB 4.4Å; Y356-K375 WeakPolarHBondContact O-CA 3.29Å; L357-K375 HydrophobicContact CD1-CG 4.17Å
376V94.4Very high89.4Confident7 Ų767.5 Ų67.54%0.04239%0.385CS..EExtended strand (participates in β ladder)trans-127.1145.6179.3-83.60000110.1V298 V306 I355 Y356 V358 V374V298-V376 HydrophobicContact CB-CG1 3.86Å; V298-V376 HydrophobicContact CG1-CB 4.46Å; V298-V376 HydrophobicContact CG1-CG1 3.38Å; V298-V376 HydrophobicContact CG2-CG1 3.14Å; V306-V376 HydrophobicContact CG1-CB 4.26Å; V306-V376 HydrophobicContact CG1-CG1 3.92Å; I355-V376 CarbonylContact C-O 3.51Å; I355-V376 VanDerWaalsContact CA-O 3.25Å; I355-V376 WeakPolarHBondContact CA-O 3.39Å; Y356-V376 PolarHBondContact N-O 3.38Å; Y356-V376 WeakPolarHBondContact O-CG2 3.41Å; Y356-V376 PolarHBondContact O-N 3.01Å; V358-V376 HydrophobicContact CB-CG2 4.38Å; V358-V376 HydrophobicContact CG2-CG2 3.33Å; V374-V376 HydrophobicContact CG1-CG1 4.48Å
377C92.3Very high89.7Confident67 Ų6765.8 Ų65.845%0.45337%0.369SS..EExtended strand (participates in β ladder)trans-122.8127.1176.1-163.80000108.8I355I355-C377 HydrophobicContact CG1-CB 4.32Å
378T92.3Very high90.1Very high5 Ų563.6 Ų63.63%0.03134%0.344CS..PPolyproline II helixtrans-75.1153.7169.247.10000110.5G302 E303 V306 L350 L351 G353 T354 Y356G302-T378 WeakPolarHBondContact O-CA 3.28Å; E303-T378 WeakPolarHBondContact O-CB 3.15Å; V306-T378 HydrophobicContact CG2-CG2 3.87Å; L350-T378 HydrophobicContact CB-CG2 3.69Å; L350-T378 HydrophobicContact CD1-CG2 3.7Å; L350-T378 HydrophobicContact CG-CG2 4.37Å; L351-T378 WeakPolarHBondContact O-CB 3.48Å; L351-T378 PolarHBondContact O-OG1 3.04Å; G353-T378 WeakPolarHBondContact CA-O 3.47Å; G353-T378 PolarHBondContact N-O 2.85Å; G353-T378 PolarHBondContact N-OG1 2.69Å; G353-T378 VanDerWaalsContact N-OG1 3.15Å; T354-T378 PolarHBondContact N-OG1 3.48Å; T354-T378 PolarHBondContact O-N 3.28Å; T354-T378 VanDerWaalsContact O-N 3.11Å; T354-T378 PolarHBondContact O-OG1 2.83Å; Y356-T378 HydrophobicContact CE2-CG2 4.46Å
379Q89Confident90.4Very high112 Ų11262.3 Ų62.352%0.52334%0.34SS..PPolyproline II helixtrans-67.5147.9174.1-67.8-178.4-18.700110.7S301 G302 E303 P352 G353S301-Q379 WeakPolarHBondContact O-CG 3.36Å; S301-Q379 PolarHBondContact O-NE2 3.31Å; G302-Q379 PolarHBondContact O-N 2.84Å; E303-Q379 WeakPolarHBondContact CA-O 3.33Å; E303-Q379 HydrophobicContact CG-CB 4.21Å; P352-Q379 CarbonylContact C-O 3.5Å; P352-Q379 WeakPolarHBondContact CA-O 3.48Å; P352-Q379 WeakPolarHBondContact CB-O 3.43Å; G353-Q379 PolarHBondContact N-O 3.35Å
380E85.4Confident90.4Very high18 Ų1857.9 Ų57.98%0.08432%0.32CS..PPolyproline II helixtrans-79.3138.9174.1-169.9174.3-151.100109.2T382 R457 T458E380-T382 PolarHBondContact O-N 3.47Å; E380-R457 WeakPolarHBondContact OE1-CB 3.28Å; E380-R457 IonicContact OE1-NH2 2.7Å; E380-R457 WeakPolarHBondContact OE2-CA 3.28Å; E380-R457 VanDerWaalsContact OE2-CB 3.29Å; E380-R457 WeakPolarHBondContact OE2-CB 3.45Å; E380-R457 PolarHBondContact OE2-N 2.99Å; E380-T458 WeakPolarHBondContact CB-OG1 3.46Å; E380-T458 PolarHBondContact OE2-N 2.75Å; E380-T458 PolarHBondContact OE2-OG1 3.05Å
381V82.9Confident90.2Very high58 Ų5858.4 Ų58.435%0.35233%0.329SS..PPolyproline II helixtrans-68.7133170.5-168.30000108E303 P352 P383E303-V381 HydrophobicContact CG-CG2 4.5Å; P352-V381 HydrophobicContact CB-CG2 3.48Å; P352-V381 VanDerWaalsContact CB-CG2 3.48Å; P352-V381 HydrophobicContact CG-CG2 3.49Å; P352-V381 VanDerWaalsContact CG-CG2 3.49Å; V381-P383 VanDerWaalsContact C-CD 3.47Å; V381-P383 HydrophobicContact CG1-CG 4.06Å; V381-P383 WeakPolarHBondContact O-CD 3.36Å
382T81.8Confident89.6Confident43 Ų4358.9 Ų58.926%0.26433%0.329SS..  trans-119.876.7178.454.10000111.8E380 Y456 A459E380-T382 PolarHBondContact O-N 3.47Å; T382-Y456 HydrophobicContact CG2-CD2 3.55Å; T382-Y456 HydrophobicContact CG2-CE2 4.28Å; T382-Y456 HydrophobicContact CG2-CG 3.92Å; T382-A459 HydrophobicContact CG2-CB 4.31Å
383P81.8Confident89.1Confident49 Ų4958.7 Ų58.732%0.31833%0.332SS..PPolyproline II helixtrans-57145-179.6-28.838.5000113.6V381 A406 P454 Y456V381-P383 VanDerWaalsContact C-CD 3.47Å; V381-P383 HydrophobicContact CG1-CG 4.06Å; V381-P383 WeakPolarHBondContact O-CD 3.36Å; P383-A406 HydrophobicContact CB-CB 3.98Å; P383-A406 HydrophobicContact CG-CB 3.61Å; P383-P454 VanDerWaalsContact O-CG 3.31Å; P383-P454 WeakPolarHBondContact O-CG 3.4Å; P383-Y456 WeakPolarHBondContact CD-OH 3.44Å; P383-Y456 PolarHBondContact O-OH 2.91Å
384A81.3Confident88.2Confident54 Ų5457.8 Ų57.845%0.44633%0.333SS..PPolyproline II helixtrans-7616817300000111.6D462A384-D462 WeakPolarHBondContact CA-O 3.46Å; A384-D462 HydrophobicContact CB-CB 4.12Å
385L86.1Confident87.4Confident12 Ų1261.3 Ų61.36%0.06336%0.359CS..PPolyproline II helixtrans-70.6146166.8-63.3176.1000110.6W402 Y412 V452 P454 L464L385-W402 HydrophobicContact CD1-CB 4.35Å; L385-Y412 HydrophobicContact CD2-CD1 4.06Å; L385-Y412 HydrophobicContact CD2-CE1 3.64Å; L385-V452 HydrophobicContact CD1-CB 3.69Å; L385-V452 HydrophobicContact CD1-CG1 3.72Å; L385-V452 WeakPolarHBondContact CD1-O 3.49Å; L385-P454 HydrophobicContact CD2-CB 4.46Å; L385-P454 HydrophobicContact CD2-CG 4.44Å; L385-P454 HydrophobicContact CG-CG 4.45Å; L385-L464 HydrophobicContact CB-CD1 3.74Å; L385-L464 HydrophobicContact CB-CG 4.01Å
386D86.8Confident86.8Confident130 Ų13056 Ų5670%0.69534%0.342SS*.SBendtrans-79-40177.8-62.2-42.7000111.5R403 G404D386-R403 HydrophobicContact CB-CB 4.22Å; D386-R403 PolarHBondContact N-O 2.83Å; D386-G404 VanDerWaalsContact OD2-CA 3.25Å; D386-G404 WeakPolarHBondContact OD2-CA 3.47Å; D386-G404 PolarHBondContact OD2-N 3.04Å
387D90.1Very high86.5Confident57 Ų5756.4 Ų56.431%0.30535%0.346SS..EExtended strand (participates in β ladder)trans-154.7152.7-176.2-169.223.4000111.7Q389 W402 R403D387-Q389 WeakPolarHBondContact OD2-CG 2.97Å; D387-Q389 PolarHBondContact OD2-NE2 2.97Å; D387-W402 CarbonylContact O-C 3.59Å; D387-W402 VanDerWaalsContact O-CA 3.24Å; D387-W402 WeakPolarHBondContact O-CA 3.33Å; D387-W402 WeakPolarHBondContact O-CB 3.48Å; D387-R403 HydrophobicContact CB-CB 4.22Å; D387-R403 PolarHBondContact N-O 3.12Å; D387-R403 PolarHBondContact O-N 3.15Å
388L92.9Very high86.4Confident9 Ų953.2 Ų53.25%0.04732%0.324CS..EExtended strand (participates in β ladder)trans-140.2119.7173.9176.663.6000109.9V400 W402 V452 L464 C466L388-V400 HydrophobicContact CD1-CG1 3.7Å; L388-W402 HydrophobicContact CD1-CB 4.17Å; L388-V452 HydrophobicContact CD1-CB 4.33Å; L388-V452 HydrophobicContact CD1-CG2 3.53Å; L388-V452 HydrophobicContact CD2-CG2 4.19Å; L388-L464 HydrophobicContact CB-CB 3.76Å; L388-L464 HydrophobicContact CB-CD1 3.98Å; L388-L464 HydrophobicContact CD2-CB 3.91Å; L388-L464 WeakPolarHBondContact CD2-O 3.38Å; L388-L464 HydrophobicContact CG-CB 4.49Å; L388-C466 HydrophobicContact CD2-CB 4.17Å; L388-C466 HydrophobicContact CG-CB 4.46Å; L388-C466 PolarHBondContact O-SG 3Å
389Q92.8Very high86.5Confident108 Ų10855 Ų5551%0.50533%0.332SS..EExtended strand (participates in β ladder)trans-119.3138.3178.5-59.9-168.88.600111.1D387 D401D387-Q389 WeakPolarHBondContact OD2-CG 2.97Å; D387-Q389 PolarHBondContact OD2-NE2 2.97Å; Q389-D401 PolarHBondContact N-O 2.73Å; Q389-D401 PolarHBondContact O-N 3.01Å
390L91.9Very high86.8Confident41 Ų4149.6 Ų49.622%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-117.9120.9175.6-60.7-179.3000108.9V398 Q399 V400 V450 C466 A468L390-V398 HydrophobicContact CB-CG1 3.82Å; L390-V398 HydrophobicContact CD2-CG1 3.76Å; L390-V398 HydrophobicContact CG-CG1 4.28Å; L390-Q399 WeakPolarHBondContact CA-O 3.33Å; L390-V400 HydrophobicContact CD2-CB 4.1Å; L390-V400 HydrophobicContact CD2-CG1 3.78Å; L390-V400 HydrophobicContact CD2-CG2 3.75Å; L390-V450 HydrophobicContact CD1-CB 4.17Å; L390-V450 HydrophobicContact CD1-CG2 4.31Å; L390-V450 HydrophobicContact CD2-CB 4.13Å; L390-V450 HydrophobicContact CD2-CG1 4.23Å; L390-V450 HydrophobicContact CD2-CG2 4.43Å; L390-C466 HydrophobicContact CD1-CB 3.38Å; L390-C466 HydrophobicContact CG-CB 3.77Å; L390-A468 HydrophobicContact CD1-CB 4.13Å
391T90.1Very high87.2Confident73 Ų7351.3 Ų51.345%0.44832%0.317SS..EExtended strand (participates in β ladder)trans-113.9119.6173.4-53.30000109V393 V398 Q399T391-V393 HydrophobicContact CG2-CG2 4.41Å; T391-V393 WeakPolarHBondContact O-CG2 3.34Å; T391-V393 PolarHBondContact O-N 2.92Å; T391-V398 CarbonylContact O-C 3.59Å; T391-V398 WeakPolarHBondContact O-CA 3.45Å; T391-Q399 PolarHBondContact N-O 2.85Å; T391-Q399 PolarHBondContact O-N 3.16Å
392T84.2Confident87.7Confident77 Ų7748.9 Ų48.947%0.47230%0.301SS..EExtended strand (participates in β ladder)trans-70.3127175.351.80000110V398 F470T392-V398 HydrophobicContact CG2-CG2 4.16Å; T392-F470 HydrophobicContact CG2-CD1 4.22Å; T392-F470 HydrophobicContact CG2-CE1 4.13Å
393V84Confident88Confident64 Ų6455.2 Ų55.239%0.38832%0.32SS..  trans-126.936.8-177.5-160.10000112.3T391 S397 Q399T391-V393 HydrophobicContact CG2-CG2 4.41Å; T391-V393 WeakPolarHBondContact O-CG2 3.34Å; T391-V393 PolarHBondContact O-N 2.92Å; V393-S397 PolarHBondContact N-O 3.47Å; V393-S397 PolarHBondContact O-OG 3.4Å; V393-S397 VanDerWaalsContact O-OG 3.11Å; V393-Q399 HydrophobicContact CG2-CB 3.75Å
394G78.9Confident87.9Confident47 Ų4753.5 Ų53.549%0.48531%0.311SS..SBendtrans152.8-176.2179.200000111.2A396 F470G394-A396 VanDerWaalsContact C-N 3.28Å; G394-A396 PolarHBondContact O-N 2.84Å; G394-F470 WeakPolarHBondContact O-CD1 3.25Å
395S80.4Confident87.4Confident109 Ų10956 Ų5676%0.76233%0.326SS*.SBendtrans-72.1-15.5-177.752.60000114.9F470S395-F470 WeakPolarHBondContact O-CD1 3.48Å
396A83.3Confident86.7Confident35 Ų3556.8 Ų56.829%0.28933%0.334SS..SBendtrans-151.127.3179.400000113.2G394 T442 H443 L444G394-A396 VanDerWaalsContact C-N 3.28Å; G394-A396 PolarHBondContact O-N 2.84Å; A396-T442 CarbonylContact O-C 3.5Å; A396-H443 PolarHBondContact O-N 3.18Å; A396-L444 PolarHBondContact O-N 3.34Å
397S87.9Confident85.9Confident16 Ų1655.5 Ų55.511%0.11234%0.341CS..EExtended strand (participates in β ladder)trans-136.9139-179.773.90000112.6V393 R440 L441V393-S397 PolarHBondContact N-O 3.47Å; V393-S397 PolarHBondContact O-OG 3.4Å; V393-S397 VanDerWaalsContact O-OG 3.11Å; S397-R440 PolarHBondContact OG-NH1 2.83Å; S397-L441 CarbonylContact C-O 3.55Å; S397-L441 VanDerWaalsContact CA-O 3.25Å; S397-L441 WeakPolarHBondContact CA-O 3.31Å; S397-L441 WeakPolarHBondContact CB-O 3.21Å
398V91.1Very high85.3Confident0 Ų054.3 Ų54.30%034%0.342CS..EExtended strand (participates in β ladder)trans-129.3130.3-177.8168.80000108.9L390 T391 T392 V400 L441 L444 A468 F470L390-V398 HydrophobicContact CB-CG1 3.82Å; L390-V398 HydrophobicContact CD2-CG1 3.76Å; L390-V398 HydrophobicContact CG-CG1 4.28Å; T391-V398 CarbonylContact O-C 3.59Å; T391-V398 WeakPolarHBondContact O-CA 3.45Å; T392-V398 HydrophobicContact CG2-CG2 4.16Å; V398-V400 HydrophobicContact CG1-CG2 4.05Å; V398-L441 PolarHBondContact N-O 2.76Å; V398-L441 PolarHBondContact O-N 2.78Å; V398-L444 HydrophobicContact CB-CD1 4.26Å; V398-L444 HydrophobicContact CG2-CD1 4.46Å; V398-A468 HydrophobicContact CG2-CB 3.53Å; V398-F470 HydrophobicContact CG2-CE1 3.7Å; V398-F470 HydrophobicContact CG2-CE2 4.32Å; V398-F470 HydrophobicContact CG2-CZ 3.34Å
399Q93.6Very high85Confident42 Ų4255 Ų5520%0.19635%0.346CS..EExtended strand (participates in β ladder)trans-79122.8163.1-177.168.123.500107.7L390 T391 V393 D401L390-Q399 WeakPolarHBondContact CA-O 3.33Å; T391-Q399 PolarHBondContact N-O 2.85Å; T391-Q399 PolarHBondContact O-N 3.16Å; V393-Q399 HydrophobicContact CG2-CB 3.75Å; Q399-D401 VanDerWaalsContact CG-OD2 3.31Å; Q399-D401 WeakPolarHBondContact CG-OD2 3.39Å; Q399-D401 PolarHBondContact NE2-OD1 2.75Å
400V94.8Very high84.8Confident0 Ų056.2 Ų56.20%035%0.346CS..EExtended strand (participates in β ladder)trans-108.8118.2179.5-171.70000106.8L388 L390 V398 W402 L414 S438 T439 L441 V450 V452L388-V400 HydrophobicContact CD1-CG1 3.7Å; L390-V400 HydrophobicContact CD2-CB 4.1Å; L390-V400 HydrophobicContact CD2-CG1 3.78Å; L390-V400 HydrophobicContact CD2-CG2 3.75Å; V398-V400 HydrophobicContact CG1-CG2 4.05Å; V400-W402 HydrophobicContact CB-CZ3 4.21Å; V400-W402 HydrophobicContact CG1-CE3 3.91Å; V400-W402 HydrophobicContact CG1-CZ3 3.96Å; V400-W402 WeakPolarHBondContact O-CZ3 3.38Å; V400-L414 HydrophobicContact CG1-CD2 4.35Å; V400-S438 CarbonylContact O-C 3.57Å; V400-S438 WeakPolarHBondContact O-CA 3.48Å; V400-S438 WeakPolarHBondContact O-CB 3.45Å; V400-T439 HydrophobicContact CB-CG2 4.33Å; V400-T439 PolarHBondContact N-O 2.83Å; V400-T439 PolarHBondContact O-N 2.88Å; V400-L441 HydrophobicContact CG2-CD1 3.74Å; V400-L441 HydrophobicContact CG2-CG 3.83Å; V400-V450 HydrophobicContact CG1-CG1 4.29Å; V400-V450 HydrophobicContact CG2-CG1 4.16Å; V400-V452 HydrophobicContact CG1-CG2 3.92Å
401D94.4Very high84.8Confident54 Ų5454.3 Ų54.329%0.28934%0.336SS..EExtended strand (participates in β ladder)trans-122.9134.6178.6-55.9-73.8000108.6Q389 Q399 S438Q389-D401 PolarHBondContact N-O 2.73Å; Q389-D401 PolarHBondContact O-N 3.01Å; Q399-D401 VanDerWaalsContact CG-OD2 3.31Å; Q399-D401 WeakPolarHBondContact CG-OD2 3.39Å; Q399-D401 PolarHBondContact NE2-OD1 2.75Å; D401-S438 WeakPolarHBondContact OD1-CB 3.38Å
402W93.3Very high84.9Confident6 Ų650.9 Ų50.92%0.02331%0.314CS..EExtended strand (participates in β ladder)trans-133.7158178.157.494000111.8L385 D387 L388 V400 Y412 L414 L432 S436 L437 T439 V452L385-W402 HydrophobicContact CD1-CB 4.35Å; D387-W402 CarbonylContact O-C 3.59Å; D387-W402 VanDerWaalsContact O-CA 3.24Å; D387-W402 WeakPolarHBondContact O-CA 3.33Å; D387-W402 WeakPolarHBondContact O-CB 3.48Å; L388-W402 HydrophobicContact CD1-CB 4.17Å; V400-W402 HydrophobicContact CB-CZ3 4.21Å; V400-W402 HydrophobicContact CG1-CE3 3.91Å; V400-W402 HydrophobicContact CG1-CZ3 3.96Å; V400-W402 WeakPolarHBondContact O-CZ3 3.38Å; W402-Y412 AromaticContact CD1-CD1 3.99Å; W402-Y412 AromaticContact CD1-CE1 3.72Å; W402-Y412 AromaticContact CD1-CZ 3.92Å; W402-Y412 AromaticContact CE2-CG 4Å; W402-Y412 HydrophobicContact CZ2-CD2 4.01Å; W402-Y412 HydrophobicContact CZ2-CG 4.15Å; W402-Y412 AromaticContact NE1-CD1 3.47Å; W402-Y412 AromaticContact NE1-CD2 3.51Å; W402-Y412 AromaticContact NE1-CE1 3.42Å; W402-Y412 AromaticContact NE1-CE2 3.45Å; W402-Y412 AromaticContact NE1-CG 3.5Å; W402-Y412 AromaticContact NE1-CZ 3.38Å; W402-L414 HydrophobicContact CH2-CD1 4.24Å; W402-L414 HydrophobicContact CH2-CD2 4.16Å; W402-L414 HydrophobicContact CZ3-CD2 3.96Å; W402-L432 HydrophobicContact CH2-CD1 3.5Å; W402-L432 HydrophobicContact CZ2-CD1 3.98Å; W402-S436 WeakPolarHBondContact CZ2-O 3.38Å; W402-S436 PolarHBondContact NE1-O 2.88Å; W402-S436 VanDerWaalsContact NE1-O 3.16Å; W402-L437 PolarHBondContact N-O 2.77Å; W402-T439 HydrophobicContact CH2-CG2 4.12Å; W402-T439 HydrophobicContact CZ3-CG2 4.07Å; W402-V452 HydrophobicContact CD2-CG1 3.95Å; W402-V452 HydrophobicContact CE3-CG1 4.27Å; W402-V452 HydrophobicContact CE3-CG2 4.23Å; W402-V452 HydrophobicContact CG-CG1 4.17Å
403R89.6Confident85.3Confident177 Ų17750.5 Ų50.567%0.66830%0.304SS*.EExtended strand (participates in β ladder)trans-122.4148.9173.6-65.9-173.5179-168.41.6110.7D386 D387D386-R403 HydrophobicContact CB-CB 4.22Å; D386-R403 PolarHBondContact N-O 2.83Å; D387-R403 HydrophobicContact CB-CB 4.22Å; D387-R403 PolarHBondContact N-O 3.12Å; D387-R403 PolarHBondContact O-N 3.15Å
404G79.4Confident85.8Confident12 Ų1247.4 Ų47.412%0.12429%0.286CS..  trans132.5131.5-176.400000110D386 Y412D386-G404 VanDerWaalsContact OD2-CA 3.25Å; D386-G404 WeakPolarHBondContact OD2-CA 3.47Å; D386-G404 PolarHBondContact OD2-N 3.04Å; G404-Y412 PolarHBondContact O-OH 3.07Å
405S69.4Low86.4Confident108 Ų10845.7 Ų45.776%0.75527%0.266SS*.  trans-151.8127.616968.30000108.1
406A71.6Confident86.9Confident28 Ų2842.4 Ų42.423%0.23124%0.237CC..  trans-126.4155.5178.400000111.6P383 G408 L409 Y456P383-A406 HydrophobicContact CB-CB 3.98Å; P383-A406 HydrophobicContact CG-CB 3.61Å; A406-G408 PolarHBondContact O-N 3.43Å; A406-L409 VanDerWaalsContact O-CB 3.3Å; A406-L409 WeakPolarHBondContact O-CB 3.3Å; A406-L409 PolarHBondContact O-N 2.95Å; A406-Y456 HydrophobicContact CB-CE1 4.22Å
407A71.1Confident87.1Confident103 Ų10344.4 Ų44.485%0.85124%0.24SC*.THydrogen-bonded Turntrans-57.6133.4170.700000109.9
408G77Confident86.8Confident32 Ų3244.9 Ų44.933%0.3325%0.248SC..THydrogen-bonded Turntrans89.8-4.1-179.200000115.6A406 R410A406-G408 PolarHBondContact O-N 3.43Å; G408-R410 PolarHBondContact O-N 3.49Å
409L85.9Confident85.7Confident22 Ų2250.8 Ų50.812%0.11528%0.275CS..  trans-58.2129.3174.5-174.375.7000111.3A406 G411 Y412 P434 P454 Y456A406-L409 VanDerWaalsContact O-CB 3.3Å; A406-L409 WeakPolarHBondContact O-CB 3.3Å; A406-L409 PolarHBondContact O-N 2.95Å; L409-G411 WeakPolarHBondContact CD1-O 3.31Å; L409-Y412 HydrophobicContact CD1-CE1 4.26Å; L409-Y412 HydrophobicContact CD2-CE1 4.05Å; L409-Y412 HydrophobicContact CD2-CE2 3.82Å; L409-Y412 VanDerWaalsContact CD2-CZ 3.43Å; L409-Y412 WeakPolarHBondContact CD2-OH 3.2Å; L409-P434 HydrophobicContact CB-CB 4.48Å; L409-P434 HydrophobicContact CD2-CB 3.83Å; L409-P434 HydrophobicContact CG-CB 4Å; L409-P454 HydrophobicContact CD1-CB 3.59Å; L409-Y456 HydrophobicContact CB-CE1 4.18Å; L409-Y456 HydrophobicContact CD1-CE1 4.15Å
410R89Confident84.2Confident135 Ų13557.2 Ų57.251%0.50931%0.305SS..  trans-100.7-27.8176.8-62.9-56.3-165.9174.92.9113G408 Y431 P434 I455G408-R410 PolarHBondContact O-N 3.49Å; R410-Y431 PolarHBondContact O-OH 3.44Å; R410-P434 WeakPolarHBondContact O-CD 3.36Å; R410-I455 WeakPolarHBondContact CB-O 3.47Å; R410-I455 PolarHBondContact N-O 3.05Å
411G91.3Very high82Confident0 Ų061 Ų610%033%0.332CS..EExtended strand (participates in β ladder)trans168.4-167.4-18000000112.3L409 L432 I455L409-G411 WeakPolarHBondContact CD1-O 3.31Å; G411-L432 CarbonylContact C-O 3.54Å; G411-L432 WeakPolarHBondContact CA-O 3.27Å; G411-I455 PolarHBondContact O-N 3.24Å
412Y93.1Very high79.7Confident1 Ų164.9 Ų64.90%0.00436%0.363CS..EExtended strand (participates in β ladder)trans-124.6142176.5-57.8-83.4000110.3L385 W402 G404 L409 Y431 L432 S436 V452 S453 P454L385-Y412 HydrophobicContact CD2-CD1 4.06Å; L385-Y412 HydrophobicContact CD2-CE1 3.64Å; W402-Y412 AromaticContact CD1-CD1 3.99Å; W402-Y412 AromaticContact CD1-CE1 3.72Å; W402-Y412 AromaticContact CD1-CZ 3.92Å; W402-Y412 AromaticContact CE2-CG 4Å; W402-Y412 HydrophobicContact CZ2-CD2 4.01Å; W402-Y412 HydrophobicContact CZ2-CG 4.15Å; W402-Y412 AromaticContact NE1-CD1 3.47Å; W402-Y412 AromaticContact NE1-CD2 3.51Å; W402-Y412 AromaticContact NE1-CE1 3.42Å; W402-Y412 AromaticContact NE1-CE2 3.45Å; W402-Y412 AromaticContact NE1-CG 3.5Å; W402-Y412 AromaticContact NE1-CZ 3.38Å; G404-Y412 PolarHBondContact O-OH 3.07Å; L409-Y412 HydrophobicContact CD1-CE1 4.26Å; L409-Y412 HydrophobicContact CD2-CE1 4.05Å; L409-Y412 HydrophobicContact CD2-CE2 3.82Å; L409-Y412 VanDerWaalsContact CD2-CZ 3.43Å; L409-Y412 WeakPolarHBondContact CD2-OH 3.2Å; Y412-Y431 CarbonylContact O-C 3.54Å; Y412-Y431 WeakPolarHBondContact O-CA 3.41Å; Y412-Y431 WeakPolarHBondContact O-CD2 3.22Å; Y412-L432 PolarHBondContact N-O 3.05Å; Y412-L432 PolarHBondContact O-N 3.1Å; Y412-S436 VanDerWaalsContact CD2-O 3.25Å; Y412-S436 WeakPolarHBondContact CD2-O 3Å; Y412-S436 WeakPolarHBondContact CE2-O 3.47Å; Y412-V452 HydrophobicContact CD1-CG1 4.31Å; Y412-S453 CarbonylContact C-O 3.57Å; Y412-S453 WeakPolarHBondContact CA-O 3.34Å; Y412-P454 HydrophobicContact CD1-CB 4.31Å; Y412-P454 HydrophobicContact CE1-CB 4.3Å
413W92.9Very high77.6Confident69 Ų6967.9 Ų67.926%0.26139%0.39SS..EExtended strand (participates in β ladder)trans-112.7112.5174.8-167-88.1000109.3S429 Y431 S453 I455W413-S429 WeakPolarHBondContact CZ2-OG 3.42Å; W413-Y431 AromaticContact CE3-CD2 3.81Å; W413-Y431 HydrophobicContact CE3-CD2 3.81Å; W413-Y431 HydrophobicContact CE3-CG 4.3Å; W413-Y431 HydrophobicContact CZ3-CD2 4.26Å; W413-Y431 HydrophobicContact CZ3-CG 4.39Å; W413-S453 PolarHBondContact N-O 3.44Å; W413-S453 PolarHBondContact O-N 2.88Å; W413-I455 HydrophobicContact CB-CD1 3.65Å; W413-I455 HydrophobicContact CB-CG1 3.82Å
414L93.7Very high75.7Confident0 Ų063.7 Ų63.70%039%0.393CS..EExtended strand (participates in β ladder)trans-97.6141.7178.5-6982.1000109.2V400 W402 S429 L430 L432 T439 C451 V452V400-L414 HydrophobicContact CG1-CD2 4.35Å; W402-L414 HydrophobicContact CH2-CD1 4.24Å; W402-L414 HydrophobicContact CH2-CD2 4.16Å; W402-L414 HydrophobicContact CZ3-CD2 3.96Å; L414-S429 CarbonylContact O-C 2.88Å; L414-S429 WeakPolarHBondContact O-CA 3.43Å; L414-S429 WeakPolarHBondContact O-CB 3.49Å; L414-L430 HydrophobicContact CB-CB 4.38Å; L414-L430 PolarHBondContact N-O 3.23Å; L414-L430 PolarHBondContact O-N 2.95Å; L414-L432 HydrophobicContact CD1-CB 4.47Å; L414-L432 HydrophobicContact CD1-CD1 3.66Å; L414-L432 HydrophobicContact CD1-CG 4.05Å; L414-L432 HydrophobicContact CD2-CD1 4.44Å; L414-T439 HydrophobicContact CD2-CG2 3.51Å; L414-C451 CarbonylContact C-O 3.51Å; L414-C451 VanDerWaalsContact CA-O 3.25Å; L414-C451 WeakPolarHBondContact CA-O 3.25Å; L414-V452 HydrophobicContact CD1-CG1 4.22Å; L414-V452 HydrophobicContact CD2-CG2 4.06Å; L414-V452 HydrophobicContact CG-CB 4.4Å; L414-V452 HydrophobicContact CG-CG1 4.07Å; L414-V452 HydrophobicContact CG-CG2 3.93Å
415T91.8Very high74.6Confident11 Ų1170.5 Ų70.57%0.06743%0.426CS..EExtended strand (participates in β ladder)trans-136.6143.5170.162.90000111R427 S428 V450 C451T415-R427 PolarHBondContact OG1-NE 3.02Å; T415-R427 PolarHBondContact OG1-NH2 3.26Å; T415-S428 CarbonylContact C-O 3.59Å; T415-S428 WeakPolarHBondContact CA-O 3.32Å; T415-V450 CarbonylContact O-C 3.59Å; T415-V450 WeakPolarHBondContact O-CA 3.49Å; T415-C451 PolarHBondContact N-O 2.85Å; T415-C451 PolarHBondContact O-N 3.19Å
416W90.8Very high74.3Confident39 Ų3973.6 Ų73.615%0.14843%0.429CS..EExtended strand (participates in β ladder)trans-140.7145.4172.766.6100.8000113S428 L430 L441 L444 R449 V450W416-S428 PolarHBondContact N-O 3.22Å; W416-S428 PolarHBondContact O-N 3.49Å; W416-L430 HydrophobicContact CH2-CB 4.37Å; W416-L430 HydrophobicContact CZ3-CB 3.97Å; W416-L441 HydrophobicContact CD2-CD1 4.03Å; W416-L441 HydrophobicContact CE3-CD1 3.87Å; W416-L441 HydrophobicContact CE3-CD2 4.16Å; W416-L441 HydrophobicContact CG-CD1 4.34Å; W416-L441 HydrophobicContact CH2-CD2 4.1Å; W416-L441 HydrophobicContact CZ3-CD1 4.45Å; W416-L441 HydrophobicContact CZ3-CD2 3.9Å; W416-L444 HydrophobicContact CB-CD2 4.29Å; W416-L444 HydrophobicContact CG-CD2 4.11Å; W416-R449 WeakPolarHBondContact CA-O 3.48Å; W416-V450 HydrophobicContact CB-CB 4.49Å; W416-V450 HydrophobicContact CB-CG2 3.97Å
417E87.8Confident74.6Confident77 Ų7779.7 Ų79.736%0.3645%0.446SS..EExtended strand (participates in β ladder)trans-150.2155.9-178.566-171.3-176.600111.9R427 A448 R449E417-R427 HydrophobicContact CB-CG 4.48Å; E417-A448 CarbonylContact O-C 3.51Å; E417-A448 WeakPolarHBondContact O-CA 3.4Å; E417-R449 HydrophobicContact CG-CB 4.43Å; E417-R449 PolarHBondContact N-O 3Å; E417-R449 VanDerWaalsContact N-O 3.11Å; E417-R449 PolarHBondContact O-N 3.3Å
418G80.8Confident75.5Confident26 Ų2676.9 Ų76.927%0.26842%0.42SS..EExtended strand (participates in β ladder)trans-79.9134.7176.200000112.3Q420 Y447G418-Q420 VanDerWaalsContact C-N 3.33Å; G418-Q420 PolarHBondContact O-N 3.08Å; G418-Y447 WeakPolarHBondContact CA-O 3.27Å
419Q68.5Low76.2Confident125 Ų12578.3 Ų78.358%0.58443%0.425SS*.THydrogen-bonded Turntrans-75.9-14.1-172.8-165.3170.1-7.600114.7Y447Q419-Y447 PolarHBondContact N-O 2.98Å
420Q61.8Low76.5Confident176 Ų17680 Ų8082%0.82243%0.434SS*.THydrogen-bonded Turntrans-115.511.4-171.1-95.2-173.2-3.400116.4G418G418-Q420 VanDerWaalsContact C-N 3.33Å; G418-Q420 PolarHBondContact O-N 3.08Å
421S49.3Very low76.7Confident79 Ų7978.6 Ų78.655%0.55243%0.429SS*.  trans-101109.9174.764.60000112.1A423S421-A423 PolarHBondContact O-N 3.42Å
422S46.5Very low76.8Confident137 Ų13779.7 Ų79.796%0.95844%0.435SS*.  trans-68.47.2160.237.50000113.5
423A47.8Very low76.8Confident69 Ų6982.4 Ų82.457%0.5745%0.453SS*.SBendtrans-93.7117166.100000109.2S421S421-A423 PolarHBondContact O-N 3.42Å
424A51.1Low76.6Confident89 Ų8982 Ų8274%0.73646%0.459SS*.  trans-57.1143.3165.700000110
425N54.7Low76.4Confident154 Ų15488.3 Ų88.382%0.82449%0.492SS*.  trans96.470.3165.3-59.1-17.4000118.9
426Q64.8Low76.4Confident174 Ų17489 Ų8981%0.81350%0.498SS*.  -156.765.1129.1-109.7172.120.400110.5S428Q426-S428 PolarHBondContact O-N 3.49Å
427R78.1Confident76.5Confident156 Ų15691.4 Ų91.459%0.58951%0.513SS*.  trans-80.2104.7166-174.5173.4-178.3-179.92.3107.6T415 E417T415-R427 PolarHBondContact OG1-NE 3.02Å; T415-R427 PolarHBondContact OG1-NH2 3.26Å; E417-R427 HydrophobicContact CB-CG 4.48Å
428S88.2Confident76.8Confident43 Ų4390.4 Ų90.430%0.30152%0.515SS..EExtended strand (participates in β ladder)trans-83.6149.6177.5-68.20000109.8T415 W416 Q426T415-S428 CarbonylContact C-O 3.59Å; T415-S428 WeakPolarHBondContact CA-O 3.32Å; W416-S428 PolarHBondContact N-O 3.22Å; W416-S428 PolarHBondContact O-N 3.49Å; Q426-S428 PolarHBondContact O-N 3.49Å
429S91.8Very high77.4Confident62 Ų6290.4 Ų90.443%0.43451%0.51SS..EExtended strand (participates in β ladder)trans-141.7149-179.463.30000112.5W413 L414W413-S429 WeakPolarHBondContact CZ2-OG 3.42Å; L414-S429 CarbonylContact O-C 2.88Å; L414-S429 WeakPolarHBondContact O-CA 3.43Å; L414-S429 WeakPolarHBondContact O-CB 3.49Å
430L93.1Very high78.6Confident59 Ų5990 Ų9031%0.30950%0.503SS..EExtended strand (participates in β ladder)trans-140131179.1177.664.8000109.8L414 W416 L432 L441L414-L430 HydrophobicContact CB-CB 4.38Å; L414-L430 PolarHBondContact N-O 3.23Å; L414-L430 PolarHBondContact O-N 2.95Å; W416-L430 HydrophobicContact CH2-CB 4.37Å; W416-L430 HydrophobicContact CZ3-CB 3.97Å; L430-L432 HydrophobicContact CD2-CD1 4.38Å; L430-L432 HydrophobicContact CD2-CD2 4Å; L430-L432 HydrophobicContact CD2-CG 4.2Å; L430-L432 HydrophobicContact CG-CD2 4.13Å; L430-L432 HydrophobicContact CG-CG 4.18Å; L430-L441 HydrophobicContact CD2-CD2 4.3Å
431Y93.5Very high80Confident104 Ų10481.9 Ų81.941%0.40847%0.465SS..EExtended strand (participates in β ladder)trans-94.1137.4168.6-179-103.2000110.3R410 Y412 W413 I455R410-Y431 PolarHBondContact O-OH 3.44Å; Y412-Y431 CarbonylContact O-C 3.54Å; Y412-Y431 WeakPolarHBondContact O-CA 3.41Å; Y412-Y431 WeakPolarHBondContact O-CD2 3.22Å; W413-Y431 AromaticContact CE3-CD2 3.81Å; W413-Y431 HydrophobicContact CE3-CD2 3.81Å; W413-Y431 HydrophobicContact CE3-CG 4.3Å; W413-Y431 HydrophobicContact CZ3-CD2 4.26Å; W413-Y431 HydrophobicContact CZ3-CG 4.39Å; Y431-I455 HydrophobicContact CE2-CB 4.4Å; Y431-I455 HydrophobicContact CE2-CG1 4.27Å
432L93.8Very high81.9Confident23 Ų2381.3 Ų81.312%0.1246%0.458CS..EExtended strand (participates in β ladder)trans-126.3146.1174.5-66.2176000111.2W402 G411 Y412 L414 L430 T439W402-L432 HydrophobicContact CH2-CD1 3.5Å; W402-L432 HydrophobicContact CZ2-CD1 3.98Å; G411-L432 CarbonylContact C-O 3.54Å; G411-L432 WeakPolarHBondContact CA-O 3.27Å; Y412-L432 PolarHBondContact N-O 3.05Å; Y412-L432 PolarHBondContact O-N 3.1Å; L414-L432 HydrophobicContact CD1-CB 4.47Å; L414-L432 HydrophobicContact CD1-CD1 3.66Å; L414-L432 HydrophobicContact CD1-CG 4.05Å; L414-L432 HydrophobicContact CD2-CD1 4.44Å; L430-L432 HydrophobicContact CD2-CD1 4.38Å; L430-L432 HydrophobicContact CD2-CD2 4Å; L430-L432 HydrophobicContact CD2-CG 4.2Å; L430-L432 HydrophobicContact CG-CD2 4.13Å; L430-L432 HydrophobicContact CG-CG 4.18Å; L432-T439 HydrophobicContact CD1-CG2 3.88Å
433P92.3Very high83.6Confident59 Ų5982.9 Ų82.938%0.38345%0.45SS..  trans-64.3164.3176.529.6-35.7000111.8N435 S436P433-N435 WeakPolarHBondContact CB-OD1 3.42Å; P433-N435 WeakPolarHBondContact CG-OD1 3.31Å; P433-N435 PolarHBondContact O-N 3.42Å; P433-N435 VanDerWaalsContact O-N 3.14Å; P433-S436 WeakPolarHBondContact CD-OG 3.42Å; P433-S436 WeakPolarHBondContact O-CB 3.38Å; P433-S436 PolarHBondContact O-N 3.48Å; P433-S436 PolarHBondContact O-OG 3.24Å
434P89.4Confident85.4Confident59 Ų5980 Ų8038%0.38343%0.425SS..THydrogen-bonded Turntrans-71.3-13.6-167.826.9-29.2000113.7L409 R410L409-P434 HydrophobicContact CB-CB 4.48Å; L409-P434 HydrophobicContact CD2-CB 3.83Å; L409-P434 HydrophobicContact CG-CB 4Å; R410-P434 WeakPolarHBondContact O-CD 3.36Å
435N89.4Confident86.8Confident133 Ų13378.1 Ų78.171%0.71141%0.405SS*.THydrogen-bonded Turntrans-87.1-4.1174.960.8-28000113.6P433P433-N435 WeakPolarHBondContact CB-OD1 3.42Å; P433-N435 WeakPolarHBondContact CG-OD1 3.31Å; P433-N435 PolarHBondContact O-N 3.42Å; P433-N435 VanDerWaalsContact O-N 3.14Å
436S91.9Very high88Confident26 Ų2674.7 Ų74.718%0.18239%0.392CS..  trans-81.4121.9175.4-61.50000110.7W402 Y412 P433W402-S436 WeakPolarHBondContact CZ2-O 3.38Å; W402-S436 PolarHBondContact NE1-O 2.88Å; W402-S436 VanDerWaalsContact NE1-O 3.16Å; Y412-S436 VanDerWaalsContact CD2-O 3.25Å; Y412-S436 WeakPolarHBondContact CD2-O 3Å; Y412-S436 WeakPolarHBondContact CE2-O 3.47Å; P433-S436 WeakPolarHBondContact CD-OG 3.42Å; P433-S436 WeakPolarHBondContact O-CB 3.38Å; P433-S436 PolarHBondContact O-N 3.48Å; P433-S436 PolarHBondContact O-OG 3.24Å
437L92Very high88.9Confident89 Ų8971.3 Ų71.347%0.46637%0.372SS..  trans-113.5-0.9172.1-66176.6000112.7W402W402-L437 PolarHBondContact N-O 2.77Å
438S93.1Very high89.2Confident57 Ų5763.9 Ų63.940%0.39934%0.344SS..EExtended strand (participates in β ladder)trans-153.4157.7175.768.40000112.5V400 D401V400-S438 CarbonylContact O-C 3.57Å; V400-S438 WeakPolarHBondContact O-CA 3.48Å; V400-S438 WeakPolarHBondContact O-CB 3.45Å; D401-S438 WeakPolarHBondContact OD1-CB 3.38Å
439T94.8Very high89.3Confident26 Ų2667.6 Ų67.616%0.1635%0.351CS..EExtended strand (participates in β ladder)trans-155.2159.6168.6-168.30000111V400 W402 L414 L432 L441V400-T439 HydrophobicContact CB-CG2 4.33Å; V400-T439 PolarHBondContact N-O 2.83Å; V400-T439 PolarHBondContact O-N 2.88Å; W402-T439 HydrophobicContact CH2-CG2 4.12Å; W402-T439 HydrophobicContact CZ3-CG2 4.07Å; L414-T439 HydrophobicContact CD2-CG2 3.51Å; L432-T439 HydrophobicContact CD1-CG2 3.88Å; T439-L441 HydrophobicContact CG2-CD2 4.11Å; T439-L441 HydrophobicContact CG2-CG 4.35Å
440R93.3Very high89.3Confident116 Ų11664.6 Ų64.644%0.43833%0.331SS..EExtended strand (participates in β ladder)trans-102.5117.5171.7179174.7-74.7-109.60.3109.6S397 T442S397-R440 PolarHBondContact OG-NH1 2.83Å; R440-T442 HydrophobicContact CG-CG2 4.13Å
441L91.3Very high89.3Confident5 Ų562.4 Ų62.43%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-91.1139.3169.2-59.7-176.9000109.1S397 V398 V400 W416 L430 T439 L444 V450S397-L441 CarbonylContact C-O 3.55Å; S397-L441 VanDerWaalsContact CA-O 3.25Å; S397-L441 WeakPolarHBondContact CA-O 3.31Å; S397-L441 WeakPolarHBondContact CB-O 3.21Å; V398-L441 PolarHBondContact N-O 2.76Å; V398-L441 PolarHBondContact O-N 2.78Å; V400-L441 HydrophobicContact CG2-CD1 3.74Å; V400-L441 HydrophobicContact CG2-CG 3.83Å; W416-L441 HydrophobicContact CD2-CD1 4.03Å; W416-L441 HydrophobicContact CE3-CD1 3.87Å; W416-L441 HydrophobicContact CE3-CD2 4.16Å; W416-L441 HydrophobicContact CG-CD1 4.34Å; W416-L441 HydrophobicContact CH2-CD2 4.1Å; W416-L441 HydrophobicContact CZ3-CD1 4.45Å; W416-L441 HydrophobicContact CZ3-CD2 3.9Å; L430-L441 HydrophobicContact CD2-CD2 4.3Å; T439-L441 HydrophobicContact CG2-CD2 4.11Å; T439-L441 HydrophobicContact CG2-CG 4.35Å; L441-L444 VanDerWaalsContact C-CD1 3.5Å; L441-L444 HydrophobicContact CB-CD1 3.7Å; L441-L444 HydrophobicContact CB-CD2 4.28Å; L441-L444 HydrophobicContact CB-CG 4.33Å; L441-L444 HydrophobicContact CD1-CD2 4.4Å; L441-L444 WeakPolarHBondContact O-CD1 3.3Å; L441-V450 HydrophobicContact CD1-CG1 3.82Å; L441-V450 HydrophobicContact CD1-CG2 4.29Å
442T88.6Confident89.3Confident68 Ų6857.5 Ų57.542%0.41730%0.301SS..EExtended strand (participates in β ladder)trans-127.9161.2-179.860.10000110A396 R440 L444A396-T442 CarbonylContact O-C 3.5Å; R440-T442 HydrophobicContact CG-CG2 4.13Å; T442-L444 VanDerWaalsContact C-N 3.31Å; T442-L444 PolarHBondContact O-N 2.78Å
443H83.8Confident89.2Confident169 Ų16957.7 Ų57.778%0.78230%0.304SS*.SBendtrans61.137.9-179.7-48.184.9000112.9A396A396-H443 PolarHBondContact O-N 3.18Å
444L83.8Confident89.2Confident9 Ų955 Ų555%0.04729%0.286CS..  trans-80.6147.1175.9-64.4107.1000111.4A396 V398 W416 L441 T442 A448 V450 F470A396-L444 PolarHBondContact O-N 3.34Å; V398-L444 HydrophobicContact CB-CD1 4.26Å; V398-L444 HydrophobicContact CG2-CD1 4.46Å; W416-L444 HydrophobicContact CB-CD2 4.29Å; W416-L444 HydrophobicContact CG-CD2 4.11Å; L441-L444 VanDerWaalsContact C-CD1 3.5Å; L441-L444 HydrophobicContact CB-CD1 3.7Å; L441-L444 HydrophobicContact CB-CD2 4.28Å; L441-L444 HydrophobicContact CB-CG 4.33Å; L441-L444 HydrophobicContact CD1-CD2 4.4Å; L441-L444 WeakPolarHBondContact O-CD1 3.3Å; T442-L444 VanDerWaalsContact C-N 3.31Å; T442-L444 PolarHBondContact O-N 2.78Å; L444-A448 HydrophobicContact CB-CB 4.03Å; L444-A448 HydrophobicContact CD2-CB 3.7Å; L444-V450 HydrophobicContact CD2-CG2 3.95Å; L444-F470 HydrophobicContact CB-CE2 3.78Å; L444-F470 HydrophobicContact CB-CZ 3.89Å; L444-F470 HydrophobicContact CD1-CZ 4.24Å
445P81.3Confident89.1Confident49 Ų4953.4 Ų53.432%0.31828%0.275SS..  trans-67.2161.3171.428.5-34000111.8Y447 A448 F470P445-Y447 PolarHBondContact O-N 3.48Å; P445-A448 HydrophobicContact CG-CB 3.98Å; P445-F470 VanDerWaalsContact O-CD2 3.31Å; P445-F470 WeakPolarHBondContact O-CD2 3.47Å; P445-F470 VanDerWaalsContact O-CE2 3.26Å; P445-F470 WeakPolarHBondContact O-CE2 3.49Å
446P79Confident89Confident83 Ų8347.7 Ų47.754%0.53924%0.243SC..SBendtrans-54.8-28.1-176.3-28.435.5000115.7Q469 F470P446-Q469 WeakPolarHBondContact O-CA 3.37Å; P446-F470 WeakPolarHBondContact O-CD2 3.47Å; P446-F470 PolarHBondContact O-N 3.29Å
447Y83.6Confident88.4Confident103 Ų10353.2 Ų53.240%0.40426%0.26SS..EExtended strand (participates in β ladder)trans-128.592.9174.5-68.2-85.9000108.8G418 Q419 P445 Q469G418-Y447 WeakPolarHBondContact CA-O 3.27Å; Q419-Y447 PolarHBondContact N-O 2.98Å; P445-Y447 PolarHBondContact O-N 3.48Å; Y447-Q469 HydrophobicContact CD1-CB 4.47Å; Y447-Q469 HydrophobicContact CD1-CG 3.74Å; Y447-Q469 HydrophobicContact CE1-CB 4.28Å; Y447-Q469 HydrophobicContact CE1-CG 3.7Å
448A85.9Confident87.6Confident0 Ų053.8 Ų53.80%027%0.267CS..EExtended strand (participates in β ladder)trans-111.7122.3-175.400000111.3E417 L444 P445 T467 A468E417-A448 CarbonylContact O-C 3.51Å; E417-A448 WeakPolarHBondContact O-CA 3.4Å; L444-A448 HydrophobicContact CB-CB 4.03Å; L444-A448 HydrophobicContact CD2-CB 3.7Å; P445-A448 HydrophobicContact CG-CB 3.98Å; A448-T467 WeakPolarHBondContact O-CA 2.96Å; A448-A468 PolarHBondContact N-O 3.2Å; A448-A468 VanDerWaalsContact N-O 3.1Å; A448-A468 PolarHBondContact O-N 3.34Å
449R90.5Very high86.9Confident120 Ų12053.4 Ų53.445%0.45327%0.267SS..EExtended strand (participates in β ladder)trans-84.3117.5168.8-176.9178.7-178.3164.13.4108.4W416 E417W416-R449 WeakPolarHBondContact CA-O 3.48Å; E417-R449 HydrophobicContact CG-CB 4.43Å; E417-R449 PolarHBondContact N-O 3Å; E417-R449 VanDerWaalsContact N-O 3.11Å; E417-R449 PolarHBondContact O-N 3.3Å
450V91.6Very high86.2Confident0 Ų059.2 Ų59.20%029%0.286CS..EExtended strand (participates in β ladder)trans-109.3128.6177.7-176.40000108.7L390 V400 T415 W416 L441 L444 C465 C466L390-V450 HydrophobicContact CD1-CB 4.17Å; L390-V450 HydrophobicContact CD1-CG2 4.31Å; L390-V450 HydrophobicContact CD2-CB 4.13Å; L390-V450 HydrophobicContact CD2-CG1 4.23Å; L390-V450 HydrophobicContact CD2-CG2 4.43Å; V400-V450 HydrophobicContact CG1-CG1 4.29Å; V400-V450 HydrophobicContact CG2-CG1 4.16Å; T415-V450 CarbonylContact O-C 3.59Å; T415-V450 WeakPolarHBondContact O-CA 3.49Å; W416-V450 HydrophobicContact CB-CB 4.49Å; W416-V450 HydrophobicContact CB-CG2 3.97Å; L441-V450 HydrophobicContact CD1-CG1 3.82Å; L441-V450 HydrophobicContact CD1-CG2 4.29Å; L444-V450 HydrophobicContact CD2-CG2 3.95Å; V450-C465 CarbonylContact O-C 3.49Å; V450-C465 VanDerWaalsContact O-CA 3.23Å; V450-C465 WeakPolarHBondContact O-CA 3.44Å; V450-C466 PolarHBondContact N-O 3.29Å; V450-C466 PolarHBondContact O-N 2.96Å; V450-C466 VanDerWaalsContact O-O 3.11Å
451C92.4Very high85.6Confident13 Ų1353.9 Ų53.99%0.08827%0.267CS..EExtended strand (participates in β ladder)trans-121.8143.4175.4-57.40000110.8L414 T415 L464 C465L414-C451 CarbonylContact C-O 3.51Å; L414-C451 VanDerWaalsContact CA-O 3.25Å; L414-C451 WeakPolarHBondContact CA-O 3.25Å; T415-C451 PolarHBondContact N-O 2.85Å; T415-C451 PolarHBondContact O-N 3.19Å; C451-L464 CarbonylContact C-O 3.57Å; C451-L464 WeakPolarHBondContact CA-O 3.49Å; C451-C465 HydrophobicContact CB-CB 4.04Å; C451-C465 WeakPolarHBondContact CB-SG 3.11Å; C451-C465 WeakPolarHBondContact SG-CB 3.28Å; C451-C465 CovalentContact SG-SG 2.03Å; C451-C465 PolarHBondContact SG-SG 2.76Å
452V93.4Very high85.1Confident0 Ų059.6 Ų59.60%030%0.298CS..EExtended strand (participates in β ladder)trans-126.1125.9174.6-1710000108.3L385 L388 V400 W402 Y412 L414 G463 L464L385-V452 HydrophobicContact CD1-CB 3.69Å; L385-V452 HydrophobicContact CD1-CG1 3.72Å; L385-V452 WeakPolarHBondContact CD1-O 3.49Å; L388-V452 HydrophobicContact CD1-CB 4.33Å; L388-V452 HydrophobicContact CD1-CG2 3.53Å; L388-V452 HydrophobicContact CD2-CG2 4.19Å; V400-V452 HydrophobicContact CG1-CG2 3.92Å; W402-V452 HydrophobicContact CD2-CG1 3.95Å; W402-V452 HydrophobicContact CE3-CG1 4.27Å; W402-V452 HydrophobicContact CE3-CG2 4.23Å; W402-V452 HydrophobicContact CG-CG1 4.17Å; Y412-V452 HydrophobicContact CD1-CG1 4.31Å; L414-V452 HydrophobicContact CD1-CG1 4.22Å; L414-V452 HydrophobicContact CD2-CG2 4.06Å; L414-V452 HydrophobicContact CG-CB 4.4Å; L414-V452 HydrophobicContact CG-CG1 4.07Å; L414-V452 HydrophobicContact CG-CG2 3.93Å; V452-G463 CarbonylContact O-C 3.58Å; V452-G463 WeakPolarHBondContact O-CA 3.33Å; V452-L464 PolarHBondContact N-O 2.96Å; V452-L464 PolarHBondContact O-N 2.59Å
453S91.8Very high84.8Confident28 Ų2857.9 Ų57.920%0.19629%0.294CS..EExtended strand (participates in β ladder)trans-122.8133.5177.2-63.10000111.1Y412 W413Y412-S453 CarbonylContact C-O 3.57Å; Y412-S453 WeakPolarHBondContact CA-O 3.34Å; W413-S453 PolarHBondContact N-O 3.44Å; W413-S453 PolarHBondContact O-N 2.88Å
454P91.6Very high85.2Confident1 Ų152.7 Ų52.71%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-71.9145.1172.529-28.7000110.4P383 L385 L409 Y412 Y456 G461 D462P383-P454 VanDerWaalsContact O-CG 3.31Å; P383-P454 WeakPolarHBondContact O-CG 3.4Å; L385-P454 HydrophobicContact CD2-CB 4.46Å; L385-P454 HydrophobicContact CD2-CG 4.44Å; L385-P454 HydrophobicContact CG-CG 4.45Å; L409-P454 HydrophobicContact CD1-CB 3.59Å; Y412-P454 HydrophobicContact CD1-CB 4.31Å; Y412-P454 HydrophobicContact CE1-CB 4.3Å; P454-Y456 HydrophobicContact CB-CE2 3.81Å; P454-Y456 HydrophobicContact CG-CE2 3.93Å; P454-G461 PolarHBondContact O-N 3.35Å; P454-D462 WeakPolarHBondContact CD-O 3.46Å
455I88.8Confident85.5Confident26 Ų2654.9 Ų54.913%0.13329%0.287CS..EExtended strand (participates in β ladder)trans-114.9125.3-178.3-57.3-64.5000109.5R410 G411 W413 Y431 R460R410-I455 WeakPolarHBondContact CB-O 3.47Å; R410-I455 PolarHBondContact N-O 3.05Å; G411-I455 PolarHBondContact O-N 3.24Å; W413-I455 HydrophobicContact CB-CD1 3.65Å; W413-I455 HydrophobicContact CB-CG1 3.82Å; Y431-I455 HydrophobicContact CE2-CB 4.4Å; Y431-I455 HydrophobicContact CE2-CG1 4.27Å; I455-R460 HydrophobicContact CD1-CB 3.95Å; I455-R460 HydrophobicContact CD1-CG 3.45Å; I455-R460 VanDerWaalsContact CD1-CG 3.45Å
456Y86.8Confident85.9Confident13 Ų1354.6 Ų54.65%0.05129%0.286CS..  trans-112.2-179.8177.5-61.6-81.1000110.8T382 P383 A406 L409 P454 T458 A459T382-Y456 HydrophobicContact CG2-CD2 3.55Å; T382-Y456 HydrophobicContact CG2-CE2 4.28Å; T382-Y456 HydrophobicContact CG2-CG 3.92Å; P383-Y456 WeakPolarHBondContact CD-OH 3.44Å; P383-Y456 PolarHBondContact O-OH 2.91Å; A406-Y456 HydrophobicContact CB-CE1 4.22Å; L409-Y456 HydrophobicContact CB-CE1 4.18Å; L409-Y456 HydrophobicContact CD1-CE1 4.15Å; P454-Y456 HydrophobicContact CB-CE2 3.81Å; P454-Y456 HydrophobicContact CG-CE2 3.93Å; Y456-T458 VanDerWaalsContact C-N 3.32Å; Y456-T458 PolarHBondContact O-N 2.67Å; Y456-A459 PolarHBondContact N-O 2.7Å
457R80.1Confident86.4Confident143 Ų14353.7 Ų53.754%0.5428%0.279SS..SBendtrans-66.8-35.7-174.6-169.9-172.8-50.6140.810.1112.2E380E380-R457 WeakPolarHBondContact OE1-CB 3.28Å; E380-R457 IonicContact OE1-NH2 2.7Å; E380-R457 WeakPolarHBondContact OE2-CA 3.28Å; E380-R457 VanDerWaalsContact OE2-CB 3.29Å; E380-R457 WeakPolarHBondContact OE2-CB 3.45Å; E380-R457 PolarHBondContact OE2-N 2.99Å
458T74.5Confident86.4Confident101 Ų10149 Ų4962%0.6226%0.262SS*.SBendtrans-112-15.7-17155.90000114.3E380 Y456E380-T458 WeakPolarHBondContact CB-OG1 3.46Å; E380-T458 PolarHBondContact OE2-N 2.75Å; E380-T458 PolarHBondContact OE2-OG1 3.05Å; Y456-T458 VanDerWaalsContact C-N 3.32Å; Y456-T458 PolarHBondContact O-N 2.67Å
459A77.6Confident86.1Confident48 Ų4854.1 Ų54.140%0.39729%0.286SS..SBendtrans-160.1170.8-17900000113.1T382 Y456T382-A459 HydrophobicContact CG2-CB 4.31Å; Y456-A459 PolarHBondContact N-O 2.7Å
460R81.5Confident85.4Confident148 Ų14849.4 Ų49.456%0.55827%0.268SS*.BIsolated β-bridgetrans-86.9130.5164.1-53.2-163.8170.3164.5-4.8108.1I455I455-R460 HydrophobicContact CD1-CB 3.95Å; I455-R460 HydrophobicContact CD1-CG 3.45Å; I455-R460 VanDerWaalsContact CD1-CG 3.45Å
461G79.6Confident84.1Confident4 Ų457 Ų574%0.04130%0.303CS..PPolyproline II helixtrans-76.2168.6171.700000111.6P454 G463P454-G461 PolarHBondContact O-N 3.35Å; G461-G463 PolarHBondContact O-N 3.29Å
462D80.6Confident82.2Confident126 Ų12661.7 Ų61.767%0.67434%0.336SS*.PPolyproline II helixtrans-63.9122.7178.7-72-29000110.6A384 P454A384-D462 WeakPolarHBondContact CA-O 3.46Å; A384-D462 HydrophobicContact CB-CB 4.12Å; P454-D462 WeakPolarHBondContact CD-O 3.46Å
463G83.6Confident80Confident32 Ų3269.3 Ų69.333%0.3338%0.377SS..PPolyproline II helixtrans-97.1161.4-179.100000113.3V452 G461V452-G463 CarbonylContact O-C 3.58Å; V452-G463 WeakPolarHBondContact O-CA 3.33Å; G461-G463 PolarHBondContact O-N 3.29Å
464L91.1Very high77.5Confident60 Ų6072.3 Ų72.331%0.31440%0.404SS..EExtended strand (participates in β ladder)trans-100.7149.8171.7-67175.2000110.3L385 L388 C451 V452L385-L464 HydrophobicContact CB-CD1 3.74Å; L385-L464 HydrophobicContact CB-CG 4.01Å; L388-L464 HydrophobicContact CB-CB 3.76Å; L388-L464 HydrophobicContact CB-CD1 3.98Å; L388-L464 HydrophobicContact CD2-CB 3.91Å; L388-L464 WeakPolarHBondContact CD2-O 3.38Å; L388-L464 HydrophobicContact CG-CB 4.49Å; C451-L464 CarbonylContact C-O 3.57Å; C451-L464 WeakPolarHBondContact CA-O 3.49Å; V452-L464 PolarHBondContact N-O 2.96Å; V452-L464 PolarHBondContact O-N 2.59Å
465C90.8Very high75.1Confident55 Ų5579.9 Ų79.937%0.37244%0.443SS..EExtended strand (participates in β ladder)trans-131.3134.1175.9-60.80000110.8V450 C451V450-C465 CarbonylContact O-C 3.49Å; V450-C465 VanDerWaalsContact O-CA 3.23Å; V450-C465 WeakPolarHBondContact O-CA 3.44Å; C451-C465 HydrophobicContact CB-CB 4.04Å; C451-C465 WeakPolarHBondContact CB-SG 3.11Å; C451-C465 WeakPolarHBondContact SG-CB 3.28Å; C451-C465 CovalentContact SG-SG 2.03Å; C451-C465 PolarHBondContact SG-SG 2.76Å
466C89.9Confident72.8Confident42 Ų4282.2 Ų82.228%0.28447%0.474SS..EExtended strand (participates in β ladder)trans-130.3158.7173.8-67.10000110L388 L390 V450L388-C466 HydrophobicContact CD2-CB 4.17Å; L388-C466 HydrophobicContact CG-CB 4.46Å; L388-C466 PolarHBondContact O-SG 3Å; L390-C466 HydrophobicContact CD1-CB 3.38Å; L390-C466 HydrophobicContact CG-CB 3.77Å; V450-C466 PolarHBondContact N-O 3.29Å; V450-C466 PolarHBondContact O-N 2.96Å; V450-C466 VanDerWaalsContact O-O 3.11Å
467T88.5Confident70.5Confident65 Ų6592.1 Ų92.140%0.39951%0.513SS..EExtended strand (participates in β ladder)trans-111.6127.9178.9-53.50000109.6A448A448-T467 WeakPolarHBondContact O-CA 2.96Å
468A83.3Confident68.4Low5 Ų588.6 Ų88.64%0.04152%0.521CS..EExtended strand (participates in β ladder)trans-95.6137.1170.800000110.2L390 V398 A448 F470L390-A468 HydrophobicContact CD1-CB 4.13Å; V398-A468 HydrophobicContact CG2-CB 3.53Å; A448-A468 PolarHBondContact N-O 3.2Å; A448-A468 VanDerWaalsContact N-O 3.1Å; A448-A468 PolarHBondContact O-N 3.34Å; A468-F470 HydrophobicContact CB-CE2 4.38Å; A468-F470 HydrophobicContact CB-CZ 4.48Å
469Q81.3Confident66.4Low107 Ų10793.9 Ų93.950%0.554%0.536SS..EExtended strand (participates in β ladder)trans-117.8129.8175.2-62-172.5-10.400109.8P446 Y447P446-Q469 WeakPolarHBondContact O-CA 3.37Å; Y447-Q469 HydrophobicContact CD1-CB 4.47Å; Y447-Q469 HydrophobicContact CD1-CG 3.74Å; Y447-Q469 HydrophobicContact CE1-CB 4.28Å; Y447-Q469 HydrophobicContact CE1-CG 3.7Å
470F75.7Confident64.6Low20 Ų20100.3 Ų100.39%0.08856%0.558CS.*  trans-107.4124.6176-55.8-86.1000109.2T392 G394 S395 V398 L444 P445 P446 A468T392-F470 HydrophobicContact CG2-CD1 4.22Å; T392-F470 HydrophobicContact CG2-CE1 4.13Å; G394-F470 WeakPolarHBondContact O-CD1 3.25Å; S395-F470 WeakPolarHBondContact O-CD1 3.48Å; V398-F470 HydrophobicContact CG2-CE1 3.7Å; V398-F470 HydrophobicContact CG2-CE2 4.32Å; V398-F470 HydrophobicContact CG2-CZ 3.34Å; L444-F470 HydrophobicContact CB-CE2 3.78Å; L444-F470 HydrophobicContact CB-CZ 3.89Å; L444-F470 HydrophobicContact CD1-CZ 4.24Å; P445-F470 VanDerWaalsContact O-CD2 3.31Å; P445-F470 WeakPolarHBondContact O-CD2 3.47Å; P445-F470 VanDerWaalsContact O-CE2 3.26Å; P445-F470 WeakPolarHBondContact O-CE2 3.49Å; P446-F470 WeakPolarHBondContact O-CD2 3.47Å; P446-F470 PolarHBondContact O-N 3.29Å; A468-F470 HydrophobicContact CB-CE2 4.38Å; A468-F470 HydrophobicContact CB-CZ 4.48Å
471H64.1Low62.5Low160 Ų160102.3 Ų102.374%0.74160%0.595SS**  trans-81.1127.1172.9-70.576.3000108.6D473H471-D473 PolarHBondContact O-N 3.14Å
472S52.8Low61.6Low111 Ų111107.3 Ų107.378%0.77662%0.622SS**  trans-79.6105.517058.60000108.7A474S472-A474 VanDerWaalsContact C-N 3.34Å; S472-A474 PolarHBondContact O-N 3.42Å
473D46.1Very low60.6Low161 Ų161106.3 Ų106.386%0.86162%0.62SS**  trans-68.693.5168.5-77-23.7000109.5H471 L475H471-D473 PolarHBondContact O-N 3.14Å; D473-L475 PolarHBondContact O-N 3.35Å
474A39.8Very low59.4Low91 Ų91110.4 Ų110.475%0.75264%0.636SS**  trans-82.3100.9167.200000109.4S472 G476S472-A474 VanDerWaalsContact C-N 3.34Å; S472-A474 PolarHBondContact O-N 3.42Å; A474-G476 PolarHBondContact O-N 3.26Å
475L40.3Very low57.5Low159 Ų159113.4 Ų113.483%0.83266%0.655SS**  trans7.5101154.3-71.2156.8000116.9D473D473-L475 PolarHBondContact O-N 3.35Å
476G40.8Very low55.4Low76 Ų76117 Ų11778%0.78467%0.672SS**  trans-9594.7154.500000110.1A474A474-G476 PolarHBondContact O-N 3.26Å
477Y39.7Very low53.1Low220 Ų220122 Ų12286%0.86370%0.698SS**  trans-122.5115.4157.6-93.8-80.3000108.1
478G34.9Very low50.6Low70 Ų70126.1 Ų126.172%0.72272%0.72SS**  trans-77.5159.3-175.700000113.8
479F33.3Very low48.1Very low212 Ų212135.4 Ų135.493%0.9377%0.772SS**  trans-126.7121.4146.4-100.2-88.8000107
480Q38.7Very low45.3Very low183 Ų183137.8 Ų137.886%0.85579%0.794SS**  trans-117135.7162.3-120.1-175.7-11.200107.2
481S37.6Very low42.6Very low190 Ų190148.5 Ų148.5100%1.32986%0.859SS**  trans67.60-179.1420000117.9

Retrieved 481 of 481 residues in 418.6 ms (Link to these results)