A0A087YD72_POEFO Loading...

WD repeat and FYVE domain containing 2

AlphaFold DB , UniProt , Accession A0A087YD72, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 400 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
1M39.3Very low41.3Very low246 Ų246153.4 Ų153.4100%1.21284%0.837SS**  01000-71.1-165.9-86.300107A3M1-A3 PolarHBondContact O-N 3.26Å
2A35.6Very low45Very low101 Ų101154.3 Ų154.384%0.83582%0.819SS**  trans-71.2123174.500000107.3E4A2-E4 PolarHBondContact O-N 3.49Å
3A38.2Very low48.4Very low90 Ų90153.1 Ų153.174%0.74480%0.802SS**  trans-66.1116.417400000108.1M1 I5M1-A3 PolarHBondContact O-N 3.26Å; A3-I5 PolarHBondContact O-N 3.25Å
4E36.3Very low51.6Low187 Ų187143.5 Ų143.587%0.87475%0.754SS**  trans-59.2110.8166.5-79.6178153.500107.9A2 Q6A2-E4 PolarHBondContact O-N 3.49Å; E4-Q6 VanDerWaalsContact C-N 3.32Å; E4-Q6 PolarHBondContact O-N 3.23Å
5I44Very low54.4Low160 Ų160138.1 Ų138.182%0.82173%0.732SS**  trans-6998.2168-59.6170.9000105A3 P7A3-I5 PolarHBondContact O-N 3.25Å; I5-P7 WeakPolarHBondContact O-CD 3.41Å; I5-P7 VanDerWaalsContact O-N 3.17Å
6Q37.8Very low57Low171 Ų171134 Ų13480%0.79971%0.71SS**PPolyproline II helixtrans-53.2123.4166.6-76.4-173-12.800107.4E4 R8E4-Q6 VanDerWaalsContact C-N 3.32Å; E4-Q6 PolarHBondContact O-N 3.23Å; Q6-R8 PolarHBondContact O-N 3.28Å; Q6-R8 VanDerWaalsContact O-N 3.07Å
7P36.7Very low59.1Low118 Ų118131.2 Ų131.277%0.76670%0.695SS**PPolyproline II helixtrans-60.3120.417622.6-29.4000107.4I5I5-P7 WeakPolarHBondContact O-CD 3.41Å; I5-P7 VanDerWaalsContact O-N 3.17Å
8R37.5Very low61Low230 Ų230125.1 Ų125.187%0.86867%0.665SS**PPolyproline II helixtrans-49.7131167.1-73.9179.2177.1-179.7-1.8106.8Q6 Q10Q6-R8 PolarHBondContact O-N 3.28Å; Q6-R8 VanDerWaalsContact O-N 3.07Å; R8-Q10 PolarHBondContact O-N 2.82Å
9P39.3Very low62.8Low127 Ų127124.3 Ų124.383%0.82566%0.655SS**PPolyproline II helixtrans-54.1118.3175.719.2-28.2000107.5A11P9-A11 PolarHBondContact O-N 2.7Å; P9-A11 VanDerWaalsContact O-N 3.07Å
10Q49.5Very low64.4Low183 Ų183118.4 Ų118.486%0.85562%0.624SS**PPolyproline II helixtrans-55.1120.8173.9-82.9177-12.900106.5R8 R12R8-Q10 PolarHBondContact O-N 2.82Å; Q10-R12 PolarHBondContact O-N 3.08Å
11A60.6Low65.8Low74 Ų74119.2 Ų119.261%0.61262%0.624SS**PPolyproline II helixtrans-54.7116.517300000107.1P9 K13P9-A11 PolarHBondContact O-N 2.7Å; P9-A11 VanDerWaalsContact O-N 3.07Å; A11-K13 WeakPolarHBondContact O-CG 3.36Å; A11-K13 PolarHBondContact O-N 3.17Å
12R84.8Confident68.2Low165 Ų165110.2 Ų110.262%0.62359%0.589SS**PPolyproline II helixtrans-60.5128.2177.6-55.4-169.7-173172.2-6.3107.4Q10 P397 V398 S400Q10-R12 PolarHBondContact O-N 3.08Å; R12-P397 HydrophobicContact CB-CB 4.22Å; R12-P397 WeakPolarHBondContact CB-O 3.47Å; R12-P397 WeakPolarHBondContact CD-O 3.47Å; R12-V398 VanDerWaalsContact C-CG1 3.48Å; R12-V398 HydrophobicContact CB-CG1 4.14Å; R12-V398 VanDerWaalsContact O-CG1 3.28Å; R12-V398 WeakPolarHBondContact O-CG1 3.5Å; R12-S400 PolarHBondContact NH1-OG 3.45Å
13K90.1Very high70.9Confident138 Ų138106.1 Ų106.160%0.655%0.552SS**  trans-134.4148.1-175.9-74.9177.2-177.1-175.40109A11A11-K13 WeakPolarHBondContact O-CG 3.36Å; A11-K13 PolarHBondContact O-N 3.17Å
14P92.9Very high73.5Confident19 Ų19108.2 Ų108.212%0.12355%0.546CS..PPolyproline II helixtrans-64.6142.1172.429.4-34.6000110H363 D394 M395 V398P14-H363 VanDerWaalsContact CD-CG 3.4Å; P14-H363 WeakPolarHBondContact CD-ND1 3.12Å; P14-H363 HydrophobicContact CG-CB 3.71Å; P14-D394 WeakPolarHBondContact CA-O 3.41Å; P14-M395 HydrophobicContact CB-CE 4.26Å; P14-M395 HydrophobicContact CB-SD 3.56Å; P14-M395 VanDerWaalsContact CB-SD 3.56Å; P14-V398 HydrophobicContact CB-CG2 4.42Å
15C94Very high76.4Confident63 Ų63103 Ų10343%0.42652%0.522SS..EExtended strand (participates in β ladder)trans-103.9123.3-178.4-67.40000109.4L17 W393 D394C15-L17 PolarHBondContact O-N 3.35Å; C15-W393 CarbonylContact O-C 3.57Å; C15-W393 VanDerWaalsContact O-CA 3.31Å; C15-W393 WeakPolarHBondContact O-CA 2.97Å; C15-D394 HydrophobicContact CB-CB 4.2Å; C15-D394 PolarHBondContact N-O 3.07Å; C15-D394 PolarHBondContact O-N 2.99Å
16L95.3Very high78.9Confident72 Ų7296.4 Ų96.438%0.37749%0.489SS..EExtended strand (participates in β ladder)trans-70.7117.9173.8-178.770.2000109.7K19 K391 W393L16-K19 HydrophobicContact CD1-CG 4.48Å; L16-K19 HydrophobicContact CD2-CD 4.26Å; L16-K19 HydrophobicContact CD2-CG 4Å; L16-K391 HydrophobicContact CD1-CB 3.82Å; L16-K391 HydrophobicContact CD1-CD 4.27Å; L16-K391 HydrophobicContact CD1-CG 4.19Å; L16-W393 HydrophobicContact CB-CE3 3.82Å; L16-W393 HydrophobicContact CB-CH2 4.35Å; L16-W393 HydrophobicContact CB-CZ3 3.71Å; L16-W393 HydrophobicContact CD1-CD2 3.89Å; L16-W393 HydrophobicContact CD1-CE3 3.95Å; L16-W393 HydrophobicContact CD1-CH2 3.97Å; L16-W393 HydrophobicContact CD1-CZ2 3.89Å; L16-W393 HydrophobicContact CD1-CZ3 4.01Å; L16-W393 HydrophobicContact CG-CE3 4.5Å; L16-W393 HydrophobicContact CG-CZ3 4.37Å
17L93.2Very high81.7Confident86 Ų8688.3 Ų88.345%0.4545%0.451SS..EExtended strand (participates in β ladder)trans-89.1-43.9179.9-63.3-179.2000112.4C15 N380 I392 D394C15-L17 PolarHBondContact O-N 3.35Å; L17-N380 WeakPolarHBondContact CD1-OD1 3.49Å; L17-I392 WeakPolarHBondContact CB-O 3.43Å; L17-I392 HydrophobicContact CD1-CG2 4.3Å; L17-I392 PolarHBondContact N-O 2.85Å; L17-D394 HydrophobicContact CD1-CB 3.97Å; L17-D394 HydrophobicContact CD2-CB 3.9Å; L17-D394 HydrophobicContact CG-CB 3.91Å
18S93.7Very high84.6Confident22 Ų2283.1 Ų83.115%0.15442%0.418CS..EExtended strand (participates in β ladder)trans-157.4157.5-171.9-66.90000112.4K391 I392S18-K391 WeakPolarHBondContact O-CA 3.5Å; S18-I392 PolarHBondContact N-O 3.16Å; S18-I392 PolarHBondContact O-N 2.97Å
19K94.9Very high87.4Confident109 Ų10972.2 Ų72.247%0.47438%0.377SS..EExtended strand (participates in β ladder)trans-130.6142172.3-57.4-172-177.7178.50110.1L16 E21 V389 V390 K391L16-K19 HydrophobicContact CD1-CG 4.48Å; L16-K19 HydrophobicContact CD2-CD 4.26Å; L16-K19 HydrophobicContact CD2-CG 4Å; K19-E21 HydrophobicContact CB-CG 4.36Å; K19-V389 HydrophobicContact CB-CG1 4.21Å; K19-V390 CarbonylContact C-O 3.59Å; K19-V390 WeakPolarHBondContact CA-O 3.2Å; K19-K391 HydrophobicContact CG-CG 4.29Å
20I95.4Very high90.2Very high7 Ų766.2 Ų66.24%0.03634%0.338CS..EExtended strand (participates in β ladder)trans-121.7112174.5-49.4177.1000107.4F23 V39 W51 Y59 V390I20-F23 HydrophobicContact CB-CE2 4.02Å; I20-F23 HydrophobicContact CG2-CE2 3.62Å; I20-F23 HydrophobicContact CG2-CZ 4.01Å; I20-V39 HydrophobicContact CD1-CB 4.31Å; I20-V39 HydrophobicContact CD1-CG2 4.31Å; I20-W51 HydrophobicContact CD1-CB 4.37Å; I20-W51 HydrophobicContact CD1-CG 4.28Å; I20-W51 HydrophobicContact CG2-CD2 3.96Å; I20-W51 HydrophobicContact CG2-CE3 3.89Å; I20-W51 HydrophobicContact CG2-CH2 4.11Å; I20-W51 HydrophobicContact CG2-CZ2 4.11Å; I20-W51 HydrophobicContact CG2-CZ3 3.96Å; I20-Y59 HydrophobicContact CD1-CD1 3.88Å; I20-Y59 HydrophobicContact CD1-CD2 3.96Å; I20-Y59 HydrophobicContact CD1-CE1 4.39Å; I20-Y59 HydrophobicContact CD1-CE2 4.48Å; I20-Y59 HydrophobicContact CD1-CG 3.62Å; I20-Y59 HydrophobicContact CG1-CD2 3.87Å; I20-Y59 HydrophobicContact CG1-CG 3.9Å; I20-V390 HydrophobicContact CB-CB 4.26Å; I20-V390 PolarHBondContact N-O 3.09Å; I20-V390 PolarHBondContact O-N 3.1Å; I20-V390 VanDerWaalsContact O-N 3.08Å
21E92.3Very high92.5Very high135 Ų13557.7 Ų57.763%0.63130%0.298SS*.  trans-116.221.4-169.3-59.4-177159.300112.9K19 V389K19-E21 HydrophobicContact CB-CG 4.36Å; E21-V389 HydrophobicContact CG-CB 4.49Å; E21-V389 HydrophobicContact CG-CG1 3.86Å; E21-V389 HydrophobicContact CG-CG2 3.88Å
22A89.8Confident94.2Very high57 Ų5754.8 Ų54.847%0.47127%0.272SS..  trans-96.914.2-171.100000114.4R49 W51A22-R49 PolarHBondContact O-NH1 3.12Å; A22-W51 HydrophobicContact CB-CH2 3.51Å; A22-W51 HydrophobicContact CB-CZ3 3.91Å
23F92.8Very high94.6Very high16 Ų1647 Ų477%0.0724%0.243CC..  trans-91.9143.3-175.6-56.4-82.7000112.2I20 E25 V27 S41 W51 K388 V390I20-F23 HydrophobicContact CB-CE2 4.02Å; I20-F23 HydrophobicContact CG2-CE2 3.62Å; I20-F23 HydrophobicContact CG2-CZ 4.01Å; F23-E25 WeakPolarHBondContact CB-O 3.42Å; F23-V27 HydrophobicContact CB-CG2 4.11Å; F23-V27 HydrophobicContact CD1-CG2 3.33Å; F23-V27 HydrophobicContact CD2-CG2 3.65Å; F23-V27 HydrophobicContact CE1-CG2 3.47Å; F23-V27 VanDerWaalsContact CE1-CG2 3.47Å; F23-V27 HydrophobicContact CE2-CG2 3.79Å; F23-V27 HydrophobicContact CG-CG2 3.41Å; F23-V27 VanDerWaalsContact CG-CG2 3.41Å; F23-V27 HydrophobicContact CZ-CG2 3.71Å; F23-S41 VanDerWaalsContact CE1-OG 3.32Å; F23-S41 WeakPolarHBondContact CE1-OG 3.33Å; F23-W51 HydrophobicContact CD1-CZ2 4.09Å; F23-W51 AromaticContact CE1-CE2 3.79Å; F23-W51 AromaticContact CE1-CZ2 3.39Å; F23-W51 HydrophobicContact CE1-CZ2 3.39Å; F23-W51 AromaticContact CE1-NE1 3.67Å; F23-W51 HydrophobicContact CE2-CZ2 4.18Å; F23-W51 AromaticContact CZ-CE2 3.58Å; F23-W51 HydrophobicContact CZ-CH2 4.49Å; F23-W51 AromaticContact CZ-CZ2 3.44Å; F23-W51 HydrophobicContact CZ-CZ2 3.44Å; F23-W51 VanDerWaalsContact CZ-CZ2 3.44Å; F23-W51 AromaticContact CZ-NE1 3.47Å; F23-K388 HydrophobicContact CB-CB 4.44Å; F23-K388 WeakPolarHBondContact CD2-O 3.29Å; F23-V390 HydrophobicContact CE2-CB 4.16Å; F23-V390 HydrophobicContact CE2-CG2 3.66Å; F23-V390 HydrophobicContact CZ-CG2 3.9Å
24Q92.8Very high94.5Very high133 Ų13341.7 Ų41.762%0.62122%0.223SC*.SBendtrans-85.7-33.4177.7-69.2-177.14.800111.9D45 K388Q24-D45 HydrophobicContact CB-CB 4.13Å; Q24-K388 WeakPolarHBondContact O-CD 3.35Å; Q24-K388 WeakPolarHBondContact O-CE 3.47Å; Q24-K388 PolarHBondContact O-NZ 2.91Å
25E96.7Very high93.9Very high79 Ų7950.3 Ų50.337%0.36926%0.258SS..SBendtrans-130.3-177.8175.2-68.1-56.1145.600111.6F23 S43 E44 D45 K388F23-E25 WeakPolarHBondContact CB-O 3.42Å; E25-S43 PolarHBondContact O-OG 2.85Å; E25-E44 HydrophobicContact CB-CB 4.05Å; E25-D45 HydrophobicContact CB-CB 3.98Å; E25-D45 HydrophobicContact CG-CB 4.19Å; E25-K388 IonicContact OE1-NZ 3.84Å; E25-K388 PolarHBondContact OE1-NZ 2.87Å; E25-K388 VanDerWaalsContact OE2-CE 3.3Å; E25-K388 WeakPolarHBondContact OE2-CE 3.28Å; E25-K388 IonicContact OE2-NZ 3.92Å; E25-K388 PolarHBondContact OE2-NZ 3.25Å
26V96.4Very high93.4Very high20 Ų2052.2 Ų52.212%0.12126%0.261CS..  trans-62.1138.3-177.4178.40000110.4T28 S43 E44 V370 K388V26-T28 PolarHBondContact O-N 3.48Å; V26-S43 WeakPolarHBondContact O-CA 3.48Å; V26-S43 WeakPolarHBondContact O-CB 3.46Å; V26-S43 PolarHBondContact O-OG 2.83Å; V26-E44 PolarHBondContact O-N 2.68Å; V26-V370 HydrophobicContact CG1-CB 4.38Å; V26-V370 HydrophobicContact CG1-CG1 4.11Å; V26-V370 HydrophobicContact CG1-CG2 4.01Å; V26-K388 HydrophobicContact CG2-CG 4.41Å
27V97.3Very high93Very high1 Ų153.4 Ų53.41%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-84.4108.1172.4176.40000107.8F23 A29 A30 V42 S384 V390F23-V27 HydrophobicContact CB-CG2 4.11Å; F23-V27 HydrophobicContact CD1-CG2 3.33Å; F23-V27 HydrophobicContact CD2-CG2 3.65Å; F23-V27 HydrophobicContact CE1-CG2 3.47Å; F23-V27 VanDerWaalsContact CE1-CG2 3.47Å; F23-V27 HydrophobicContact CE2-CG2 3.79Å; F23-V27 HydrophobicContact CG-CG2 3.41Å; F23-V27 VanDerWaalsContact CG-CG2 3.41Å; F23-V27 HydrophobicContact CZ-CG2 3.71Å; V27-A29 WeakPolarHBondContact CG1-O 3.42Å; V27-A30 HydrophobicContact CG1-CB 3.87Å; V27-V42 CarbonylContact C-O 3.55Å; V27-V42 WeakPolarHBondContact CA-O 3.34Å; V27-V42 WeakPolarHBondContact CG1-O 3.36Å; V27-S384 WeakPolarHBondContact O-CB 3.29Å; V27-S384 PolarHBondContact O-OG 3Å; V27-V390 HydrophobicContact CB-CG2 4.02Å; V27-V390 HydrophobicContact CG1-CG2 3.87Å; V27-V390 HydrophobicContact CG2-CG2 3.89Å
28T97.1Very high93.1Very high10 Ų1049.4 Ų49.46%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-76.4-32.3-173.650.70000112.4V26 V42 E44 C71 Y371V26-T28 PolarHBondContact O-N 3.48Å; T28-V42 PolarHBondContact N-O 3.38Å; T28-V42 PolarHBondContact OG1-O 2.94Å; T28-E44 HydrophobicContact CG2-CG 3.36Å; T28-C71 WeakPolarHBondContact CB-O 3.41Å; T28-C71 VanDerWaalsContact CG2-O 3.29Å; T28-C71 WeakPolarHBondContact CG2-O 3.34Å; T28-C71 PolarHBondContact OG1-O 2.91Å; T28-Y371 WeakPolarHBondContact O-CB 3.49Å
29A97.3Very high93.3Very high1 Ų148.3 Ų48.31%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-152.6148.3170.800000110.9V27 V42 M74 Y371V27-A29 WeakPolarHBondContact CG1-O 3.42Å; A29-V42 HydrophobicContact CB-CG2 3.81Å; A29-V42 PolarHBondContact N-O 3.18Å; A29-V42 WeakPolarHBondContact O-CG2 3.4Å; A29-V42 PolarHBondContact O-N 2.87Å; A29-M74 HydrophobicContact CB-CB 4.46Å; A29-M74 HydrophobicContact CB-CG 3.7Å; A29-M74 HydrophobicContact CB-SD 4.3Å; A29-Y371 HydrophobicContact CB-CD1 4.26Å; A29-Y371 HydrophobicContact CB-CD2 4.01Å; A29-Y371 HydrophobicContact CB-CE1 4.18Å; A29-Y371 HydrophobicContact CB-CE2 3.91Å; A29-Y371 HydrophobicContact CB-CG 4.19Å
30A97.6Very high93.4Very high0 Ų043.1 Ų43.10%022%0.217CC..EExtended strand (participates in β ladder)trans-152.9148.8176.700000111V27 V39 I40 Y371 H373 L382V27-A30 HydrophobicContact CG1-CB 3.87Å; A30-V39 HydrophobicContact CB-CG1 4.31Å; A30-I40 CarbonylContact C-O 3.55Å; A30-I40 WeakPolarHBondContact CA-O 3.44Å; A30-I40 WeakPolarHBondContact CB-O 3.45Å; A30-Y371 WeakPolarHBondContact O-CE1 3.33Å; A30-H373 VanDerWaalsContact O-CB 3.29Å; A30-H373 WeakPolarHBondContact O-CB 3.37Å; A30-L382 HydrophobicContact CB-CD1 4.03Å; A30-L382 HydrophobicContact CB-CD2 3.61Å
31A97.1Very high93.5Very high4 Ų442.8 Ų42.83%0.03322%0.215CC..EExtended strand (participates in β ladder)trans-136.5141.4-175.200000109.6V39 I40 M74 F76A31-V39 CarbonylContact O-C 3.56Å; A31-V39 WeakPolarHBondContact O-CA 3.48Å; A31-I40 PolarHBondContact N-O 3.32Å; A31-I40 PolarHBondContact O-N 2.91Å; A31-M74 HydrophobicContact CB-CE 3.35Å; A31-F76 HydrophobicContact CB-CB 4.42Å
32I96.6Very high93.8Very high13 Ų1336.4 Ų36.47%0.06719%0.185CC..EExtended strand (participates in β ladder)trans-76.1136171.9-62.4166.7000107.1P34 H373 E375 N380 L382I32-P34 WeakPolarHBondContact O-CD 3.26Å; I32-H373 PolarHBondContact N-ND1 3.23Å; I32-E375 HydrophobicContact CB-CB 4.2Å; I32-E375 HydrophobicContact CD1-CB 3.96Å; I32-E375 HydrophobicContact CG2-CB 4.29Å; I32-E375 HydrophobicContact CG2-CG 4.36Å; I32-N380 HydrophobicContact CD1-CB 3.73Å; I32-L382 HydrophobicContact CD1-CB 3.96Å; I32-L382 HydrophobicContact CG1-CB 3.94Å; I32-L382 HydrophobicContact CG1-CD1 4Å
33I94.4Very high94.2Very high1 Ų133.7 Ų33.71%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-80.6117.3172-56.1177.4000106.8E36 G38 I40 V50 L52 Y101I33-E36 HydrophobicContact CB-CB 4.27Å; I33-E36 HydrophobicContact CG2-CB 3.86Å; I33-E36 HydrophobicContact CG2-CG 4.24Å; I33-E36 PolarHBondContact O-N 3.28Å; I33-G38 PolarHBondContact N-O 2.9Å; I33-I40 HydrophobicContact CD1-CD1 4.27Å; I33-I40 HydrophobicContact CD1-CG1 3.89Å; I33-I40 HydrophobicContact CG1-CD1 4.05Å; I33-I40 HydrophobicContact CG1-CG1 3.88Å; I33-V50 HydrophobicContact CD1-CG1 4.06Å; I33-L52 HydrophobicContact CD1-CD2 4.36Å; I33-Y101 HydrophobicContact CD1-CD1 3.84Å; I33-Y101 HydrophobicContact CD1-CE1 4.15Å; I33-Y101 HydrophobicContact CD1-CG 4.06Å; I33-Y101 HydrophobicContact CG2-CD1 4.46Å; I33-Y101 HydrophobicContact CG2-CD2 4.35Å; I33-Y101 HydrophobicContact CG2-CE1 3.85Å; I33-Y101 HydrophobicContact CG2-CE2 3.72Å; I33-Y101 VanDerWaalsContact CG2-CZ 3.43Å
34P86.8Confident94.4Very high27 Ų2737 Ų3718%0.17518%0.179CC..THydrogen-bonded Turntrans-63.5143.4-179.4-21.834.2000111.2I32 E36 P78I32-P34 WeakPolarHBondContact O-CD 3.26Å; P34-E36 PolarHBondContact O-N 2.81Å; P34-P78 HydrophobicContact CG-CB 3.7Å; P34-P78 HydrophobicContact CG-CG 3.92Å
35K81.2Confident94.5Very high200 Ų20031.7 Ų31.787%0.8716%0.155SC*.THydrogen-bonded Turntrans65.8-9.3178.4-52.3173.4-178.6171.40116
36E83.1Confident94.5Very high104 Ų10434.2 Ų34.249%0.48616%0.161SC..THydrogen-bonded Turntrans-112.1144172.5-68.5-65159.700109I33 P34 G38 Y101I33-E36 HydrophobicContact CB-CB 4.27Å; I33-E36 HydrophobicContact CG2-CB 3.86Å; I33-E36 HydrophobicContact CG2-CG 4.24Å; I33-E36 PolarHBondContact O-N 3.28Å; P34-E36 PolarHBondContact O-N 2.81Å; E36-G38 PolarHBondContact O-N 3.44Å; E36-Y101 HydrophobicContact CG-CD2 4.26Å; E36-Y101 HydrophobicContact CG-CE2 3.97Å
37D87.6Confident94.6Very high97 Ų9733.4 Ų33.452%0.51916%0.156SC..THydrogen-bonded Turntrans-76.968.6170.9-88.11.3000109.1K53D37-K53 HydrophobicContact CB-CB 3.74Å; D37-K53 HydrophobicContact CB-CD 3.77Å; D37-K53 HydrophobicContact CB-CG 4.47Å; D37-K53 WeakPolarHBondContact O-CB 3.26Å; D37-K53 PolarHBondContact O-N 2.86Å; D37-K53 VanDerWaalsContact OD2-CD 3.28Å; D37-K53 WeakPolarHBondContact OD2-CD 3.25Å; D37-K53 IonicContact OD2-NZ 3.32Å; D37-K53 PolarHBondContact OD2-NZ 3.33Å
38G94.3Very high94.6Very high1 Ų133.3 Ų33.31%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-140.5156.6-172.700000114.3I33 E36 W51I33-G38 PolarHBondContact N-O 2.9Å; E36-G38 PolarHBondContact O-N 3.44Å; G38-W51 CarbonylContact C-O 3.58Å; G38-W51 WeakPolarHBondContact CA-O 3.35Å
39V97.3Very high94.6Very high0 Ų033.4 Ų33.40%016%0.155CC..EExtended strand (participates in β ladder)trans-136135.1178.4174.40000109.7I20 A30 A31 W51 Y59 L382 I392I20-V39 HydrophobicContact CD1-CB 4.31Å; I20-V39 HydrophobicContact CD1-CG2 4.31Å; A30-V39 HydrophobicContact CB-CG1 4.31Å; A31-V39 CarbonylContact O-C 3.56Å; A31-V39 WeakPolarHBondContact O-CA 3.48Å; V39-W51 HydrophobicContact CB-CB 4.31Å; V39-W51 PolarHBondContact N-O 2.89Å; V39-W51 WeakPolarHBondContact O-CB 3.36Å; V39-W51 PolarHBondContact O-N 2.85Å; V39-Y59 HydrophobicContact CG2-CE1 3.99Å; V39-L382 HydrophobicContact CB-CD1 4.48Å; V39-L382 HydrophobicContact CG1-CD1 3.59Å; V39-L382 HydrophobicContact CG2-CD1 4Å; V39-I392 HydrophobicContact CG2-CD1 3.74Å
40I97.9Very high94.6Very high0 Ų033.3 Ų33.30%015%0.154CC..EExtended strand (participates in β ladder)trans-102136.9167.2-57.2164.7000107.3A30 A31 I33 R49 V50 M74 F76 L83 L97A30-I40 CarbonylContact C-O 3.55Å; A30-I40 WeakPolarHBondContact CA-O 3.44Å; A30-I40 WeakPolarHBondContact CB-O 3.45Å; A31-I40 PolarHBondContact N-O 3.32Å; A31-I40 PolarHBondContact O-N 2.91Å; I33-I40 HydrophobicContact CD1-CD1 4.27Å; I33-I40 HydrophobicContact CD1-CG1 3.89Å; I33-I40 HydrophobicContact CG1-CD1 4.05Å; I33-I40 HydrophobicContact CG1-CG1 3.88Å; I40-R49 WeakPolarHBondContact CA-O 3.48Å; I40-V50 HydrophobicContact CG1-CG1 4.33Å; I40-V50 HydrophobicContact CG1-CG2 4.31Å; I40-M74 HydrophobicContact CB-CE 4.45Å; I40-M74 HydrophobicContact CG2-CE 4.45Å; I40-M74 HydrophobicContact CG2-SD 4.28Å; I40-F76 HydrophobicContact CD1-CB 4.42Å; I40-F76 HydrophobicContact CD1-CD1 3.79Å; I40-F76 HydrophobicContact CD1-CD2 3.51Å; I40-F76 HydrophobicContact CD1-CE1 3.84Å; I40-F76 HydrophobicContact CD1-CE2 3.59Å; I40-F76 HydrophobicContact CD1-CG 3.62Å; I40-F76 HydrophobicContact CD1-CZ 3.75Å; I40-L83 HydrophobicContact CG2-CD1 4.16Å; I40-L83 HydrophobicContact CG2-CD2 3.99Å; I40-L97 HydrophobicContact CD1-CD1 3.43Å; I40-L97 VanDerWaalsContact CD1-CD1 3.43Å; I40-L97 HydrophobicContact CG1-CD1 4.23Å
41S97.9Very high94.6Very high0 Ų033.5 Ų33.50%016%0.155CC..EExtended strand (participates in β ladder)trans-137.9144.1179.363.20000111.4F23 I48 R49 W51F23-S41 VanDerWaalsContact CE1-OG 3.32Å; F23-S41 WeakPolarHBondContact CE1-OG 3.33Å; S41-I48 WeakPolarHBondContact O-CA 3.49Å; S41-R49 PolarHBondContact N-O 2.89Å; S41-R49 PolarHBondContact O-N 3.09Å; S41-R49 PolarHBondContact OG-O 3.47Å; S41-W51 PolarHBondContact OG-NE1 3.07Å
42V98Very high94.5Very high0 Ų034.3 Ų34.30%016%0.159CC..EExtended strand (participates in β ladder)trans-120.5145.4167.7-60.40000110.3V27 T28 A29 T47 I48 C71 M74 V85V27-V42 CarbonylContact C-O 3.55Å; V27-V42 WeakPolarHBondContact CA-O 3.34Å; V27-V42 WeakPolarHBondContact CG1-O 3.36Å; T28-V42 PolarHBondContact N-O 3.38Å; T28-V42 PolarHBondContact OG1-O 2.94Å; A29-V42 HydrophobicContact CB-CG2 3.81Å; A29-V42 PolarHBondContact N-O 3.18Å; A29-V42 WeakPolarHBondContact O-CG2 3.4Å; A29-V42 PolarHBondContact O-N 2.87Å; V42-T47 WeakPolarHBondContact CA-O 3.48Å; V42-I48 HydrophobicContact CG1-CB 4.48Å; V42-I48 HydrophobicContact CG1-CG1 4.02Å; V42-I48 HydrophobicContact CG1-CG2 4.27Å; V42-C71 HydrophobicContact CB-CB 3.66Å; V42-C71 HydrophobicContact CG1-CB 4.46Å; V42-C71 HydrophobicContact CG2-CB 4.13Å; V42-M74 HydrophobicContact CB-SD 4.34Å; V42-M74 HydrophobicContact CG1-CB 4.11Å; V42-M74 HydrophobicContact CG1-CG 4.5Å; V42-M74 HydrophobicContact CG1-SD 3.76Å; V42-M74 HydrophobicContact CG2-CB 3.95Å; V42-M74 HydrophobicContact CG2-CG 4.07Å; V42-M74 HydrophobicContact CG2-SD 3.87Å; V42-V85 HydrophobicContact CG1-CG1 4.07Å; V42-V85 HydrophobicContact CG1-CG2 3.98Å
43S97.6Very high94.4Very high0 Ų037.4 Ų37.40%017%0.171CC..EExtended strand (participates in β ladder)trans-139.6158.5-172.6175.40000113.1E25 V26 D45 R46 T47 C71E25-S43 PolarHBondContact O-OG 2.85Å; V26-S43 WeakPolarHBondContact O-CA 3.48Å; V26-S43 WeakPolarHBondContact O-CB 3.46Å; V26-S43 PolarHBondContact O-OG 2.83Å; S43-D45 VanDerWaalsContact CB-OD1 3.22Å; S43-D45 WeakPolarHBondContact CB-OD1 3.29Å; S43-D45 PolarHBondContact O-N 3.04Å; S43-D45 PolarHBondContact OG-N 3.09Å; S43-D45 PolarHBondContact OG-OD1 3.13Å; S43-R46 PolarHBondContact O-N 3.16Å; S43-R46 VanDerWaalsContact O-N 3.12Å; S43-T47 PolarHBondContact N-O 2.54Å; S43-T47 VanDerWaalsContact N-O 3.12Å; S43-C71 PolarHBondContact O-N 2.78Å
44E96.6Very high94.2Very high86 Ų8643 Ų4340%0.40219%0.193SC..THydrogen-bonded Turntrans-62.4-17.7172.2-57.1-170.4165.600112.8E25 V26 T28 R46 S70E25-E44 HydrophobicContact CB-CB 4.05Å; V26-E44 PolarHBondContact O-N 2.68Å; T28-E44 HydrophobicContact CG2-CG 3.36Å; E44-R46 PolarHBondContact O-N 3.09Å; E44-S70 WeakPolarHBondContact CA-OG 3.5Å
45D95.9Very high94.3Very high22 Ų2250.4 Ų50.412%0.11823%0.23CC..THydrogen-bonded Turntrans-704.6172.372.61.3000113.5Q24 E25 S43 T47 R49Q24-D45 HydrophobicContact CB-CB 4.13Å; E25-D45 HydrophobicContact CB-CB 3.98Å; E25-D45 HydrophobicContact CG-CB 4.19Å; S43-D45 VanDerWaalsContact CB-OD1 3.22Å; S43-D45 WeakPolarHBondContact CB-OD1 3.29Å; S43-D45 PolarHBondContact O-N 3.04Å; S43-D45 PolarHBondContact OG-N 3.09Å; S43-D45 PolarHBondContact OG-OD1 3.13Å; D45-T47 VanDerWaalsContact C-N 3.34Å; D45-T47 VanDerWaalsContact CG-OG1 3.27Å; D45-T47 WeakPolarHBondContact OD1-CB 3.31Å; D45-T47 VanDerWaalsContact OD1-CG2 3.27Å; D45-T47 WeakPolarHBondContact OD1-CG2 3.32Å; D45-T47 PolarHBondContact OD1-N 3.31Å; D45-T47 PolarHBondContact OD1-OG1 2.95Å; D45-T47 PolarHBondContact OD2-OG1 3.23Å; D45-R49 IonicContact OD2-CZ 2.58Å; D45-R49 IonicContact OD2-NH2 3.45Å; D45-R49 PolarHBondContact OD2-NH2 2.82Å
46R97.1Very high94.6Very high131 Ų13145 Ų4549%0.49422%0.218SC..SBendtrans68.330.4-178.1-46179.2-81-171.2-7.6112.6S43 E44 T66 M67S43-R46 PolarHBondContact O-N 3.16Å; S43-R46 VanDerWaalsContact O-N 3.12Å; E44-R46 PolarHBondContact O-N 3.09Å; R46-T66 CarbonylContact O-C 3.6Å; R46-T66 WeakPolarHBondContact O-CA 3.38Å; R46-M67 HydrophobicContact CB-CB 4.49Å; R46-M67 PolarHBondContact O-N 2.86Å
47T97.4Very high94.7Very high3 Ų341.8 Ų41.82%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-113.5143.9178.370.70000113V42 S43 D45 R49 Y64 H65V42-T47 WeakPolarHBondContact CA-O 3.48Å; S43-T47 PolarHBondContact N-O 2.54Å; S43-T47 VanDerWaalsContact N-O 3.12Å; D45-T47 VanDerWaalsContact C-N 3.34Å; D45-T47 VanDerWaalsContact CG-OG1 3.27Å; D45-T47 WeakPolarHBondContact OD1-CB 3.31Å; D45-T47 VanDerWaalsContact OD1-CG2 3.27Å; D45-T47 WeakPolarHBondContact OD1-CG2 3.32Å; D45-T47 PolarHBondContact OD1-N 3.31Å; D45-T47 PolarHBondContact OD1-OG1 2.95Å; D45-T47 PolarHBondContact OD2-OG1 3.23Å; T47-R49 PolarHBondContact OG1-NE 2.9Å; T47-Y64 HydrophobicContact CG2-CE1 4.08Å; T47-Y64 HydrophobicContact CG2-CE2 4.07Å; T47-Y64 WeakPolarHBondContact CG2-OH 2.94Å; T47-H65 CarbonylContact C-O 3.5Å; T47-H65 VanDerWaalsContact CA-O 3.29Å; T47-H65 WeakPolarHBondContact CA-O 3.49Å
48I97.8Very high94.9Very high0 Ų044 Ų440%022%0.22CC..EExtended strand (participates in β ladder)trans-106.9128.4159.5-52.1174.5000106.1S41 V42 H65 M67 L83 V85 F95 M104S41-I48 WeakPolarHBondContact O-CA 3.49Å; V42-I48 HydrophobicContact CG1-CB 4.48Å; V42-I48 HydrophobicContact CG1-CG1 4.02Å; V42-I48 HydrophobicContact CG1-CG2 4.27Å; I48-H65 HydrophobicContact CB-CB 4.38Å; I48-H65 PolarHBondContact N-O 2.88Å; I48-H65 PolarHBondContact O-N 3.25Å; I48-M67 HydrophobicContact CD1-CE 4.23Å; I48-M67 HydrophobicContact CD1-CG 3.91Å; I48-M67 HydrophobicContact CD1-SD 3.5Å; I48-M67 WeakPolarHBondContact CD1-SD 3.49Å; I48-M67 HydrophobicContact CG1-CG 3.83Å; I48-M67 HydrophobicContact CG1-SD 4.1Å; I48-L83 HydrophobicContact CG2-CD2 3.73Å; I48-V85 HydrophobicContact CD1-CB 4.39Å; I48-V85 HydrophobicContact CD1-CG2 3.76Å; I48-V85 HydrophobicContact CG1-CG2 4.38Å; I48-F95 HydrophobicContact CD1-CD2 3.98Å; I48-F95 HydrophobicContact CD1-CE2 3.45Å; I48-F95 VanDerWaalsContact CD1-CE2 3.45Å; I48-F95 HydrophobicContact CD1-CZ 3.81Å; I48-M104 HydrophobicContact CB-CE 4.31Å; I48-M104 HydrophobicContact CD1-CE 4.15Å; I48-M104 HydrophobicContact CG2-CE 4.27Å; I48-M104 HydrophobicContact CG2-SD 4.07Å
49R97.7Very high94.8Very high11 Ų1145.6 Ų45.64%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-131.1136.4-180-55.4175.6-169.9-163.76110.2A22 I40 S41 D45 T47 W51 V63 Y64A22-R49 PolarHBondContact O-NH1 3.12Å; I40-R49 WeakPolarHBondContact CA-O 3.48Å; S41-R49 PolarHBondContact N-O 2.89Å; S41-R49 PolarHBondContact O-N 3.09Å; S41-R49 PolarHBondContact OG-O 3.47Å; D45-R49 IonicContact OD2-CZ 2.58Å; D45-R49 IonicContact OD2-NH2 3.45Å; D45-R49 PolarHBondContact OD2-NH2 2.82Å; T47-R49 PolarHBondContact OG1-NE 2.9Å; R49-W51 HydrophobicContact CB-CZ2 4Å; R49-W51 HydrophobicContact CG-CZ2 4.31Å; R49-V63 VanDerWaalsContact CA-O 3.31Å; R49-V63 WeakPolarHBondContact CA-O 3.37Å; R49-Y64 HydrophobicContact CG-CD2 4.04Å; R49-Y64 HydrophobicContact CG-CE2 4.46Å
50V97.4Very high94.6Very high0 Ų052.8 Ų52.80%025%0.253CS..EExtended strand (participates in β ladder)trans-111.4113.9172.6-174.60000107.4I33 I40 P61 S62 V63 L97I33-V50 HydrophobicContact CD1-CG1 4.06Å; I40-V50 HydrophobicContact CG1-CG1 4.33Å; I40-V50 HydrophobicContact CG1-CG2 4.31Å; V50-P61 CarbonylContact O-C 3.59Å; V50-P61 WeakPolarHBondContact O-CA 3.37Å; V50-S62 PolarHBondContact O-N 3.43Å; V50-V63 HydrophobicContact CB-CB 3.79Å; V50-V63 HydrophobicContact CB-CG2 4.04Å; V50-V63 HydrophobicContact CG2-CB 3.76Å; V50-V63 HydrophobicContact CG2-CG1 4.37Å; V50-V63 HydrophobicContact CG2-CG2 4.07Å; V50-V63 PolarHBondContact N-O 3.5Å; V50-V63 PolarHBondContact O-N 2.79Å; V50-L97 HydrophobicContact CG2-CD1 4.48Å; V50-L97 HydrophobicContact CG2-CD2 3.82Å
51W96.8Very high94.4Very high3 Ų354.7 Ų54.71%0.01127%0.266CS..EExtended strand (participates in β ladder)trans-100.3122.2-176.5-5490000109.1I20 A22 F23 G38 V39 S41 R49 Y59 W60 P61I20-W51 HydrophobicContact CD1-CB 4.37Å; I20-W51 HydrophobicContact CD1-CG 4.28Å; I20-W51 HydrophobicContact CG2-CD2 3.96Å; I20-W51 HydrophobicContact CG2-CE3 3.89Å; I20-W51 HydrophobicContact CG2-CH2 4.11Å; I20-W51 HydrophobicContact CG2-CZ2 4.11Å; I20-W51 HydrophobicContact CG2-CZ3 3.96Å; A22-W51 HydrophobicContact CB-CH2 3.51Å; A22-W51 HydrophobicContact CB-CZ3 3.91Å; F23-W51 HydrophobicContact CD1-CZ2 4.09Å; F23-W51 AromaticContact CE1-CE2 3.79Å; F23-W51 AromaticContact CE1-CZ2 3.39Å; F23-W51 HydrophobicContact CE1-CZ2 3.39Å; F23-W51 AromaticContact CE1-NE1 3.67Å; F23-W51 HydrophobicContact CE2-CZ2 4.18Å; F23-W51 AromaticContact CZ-CE2 3.58Å; F23-W51 HydrophobicContact CZ-CH2 4.49Å; F23-W51 AromaticContact CZ-CZ2 3.44Å; F23-W51 HydrophobicContact CZ-CZ2 3.44Å; F23-W51 VanDerWaalsContact CZ-CZ2 3.44Å; F23-W51 AromaticContact CZ-NE1 3.47Å; G38-W51 CarbonylContact C-O 3.58Å; G38-W51 WeakPolarHBondContact CA-O 3.35Å; V39-W51 HydrophobicContact CB-CB 4.31Å; V39-W51 PolarHBondContact N-O 2.89Å; V39-W51 WeakPolarHBondContact O-CB 3.36Å; V39-W51 PolarHBondContact O-N 2.85Å; S41-W51 PolarHBondContact OG-NE1 3.07Å; R49-W51 HydrophobicContact CB-CZ2 4Å; R49-W51 HydrophobicContact CG-CZ2 4.31Å; W51-Y59 HydrophobicContact CB-CD1 3.78Å; W51-Y59 HydrophobicContact CB-CG 4.43Å; W51-W60 CarbonylContact C-O 3.58Å; W51-W60 WeakPolarHBondContact CA-O 3.29Å; W51-P61 HydrophobicContact CD2-CB 4.39Å; W51-P61 HydrophobicContact CE3-CB 3.9Å; W51-P61 HydrophobicContact CE3-CG 4.31Å; W51-P61 HydrophobicContact CH2-CB 4.15Å; W51-P61 HydrophobicContact CH2-CG 4.36Å; W51-P61 HydrophobicContact CZ3-CB 3.77Å; W51-P61 HydrophobicContact CZ3-CG 3.84Å
52L95.2Very high94.2Very high22 Ų2256 Ų5612%0.11528%0.275CS..EExtended strand (participates in β ladder)trans-111.7133.2171.2-60.3-176.9000109.1I33 W60 S62 N102I33-L52 HydrophobicContact CD1-CD2 4.36Å; L52-W60 PolarHBondContact N-O 2.79Å; L52-W60 PolarHBondContact O-N 3.4Å; L52-S62 WeakPolarHBondContact CD1-OG 3.32Å; L52-N102 WeakPolarHBondContact CD1-OD1 3.41Å
53K93.7Very high94.1Very high77 Ų7756.7 Ų56.734%0.33528%0.279SS..EExtended strand (participates in β ladder)trans-74130.9176-163.9-176.2174.8-169.10109.5D37 Q58 Y59D37-K53 HydrophobicContact CB-CB 3.74Å; D37-K53 HydrophobicContact CB-CD 3.77Å; D37-K53 HydrophobicContact CB-CG 4.47Å; D37-K53 WeakPolarHBondContact O-CB 3.26Å; D37-K53 PolarHBondContact O-N 2.86Å; D37-K53 VanDerWaalsContact OD2-CD 3.28Å; D37-K53 WeakPolarHBondContact OD2-CD 3.25Å; D37-K53 IonicContact OD2-NZ 3.32Å; D37-K53 PolarHBondContact OD2-NZ 3.33Å; K53-Q58 WeakPolarHBondContact CA-O 3.26Å; K53-Y59 HydrophobicContact CB-CD1 4.22Å; K53-Y59 HydrophobicContact CB-CE1 3.97Å; K53-Y59 HydrophobicContact CB-CE2 4.42Å; K53-Y59 HydrophobicContact CD-CE2 4.27Å; K53-Y59 HydrophobicContact CG-CD2 4.47Å; K53-Y59 HydrophobicContact CG-CE2 4.21Å
54R91.6Very high94.1Very high120 Ų12062.5 Ų62.545%0.45330%0.302SS..  trans-90.8169.5176.9-59.3-62.6-172.4178.9-3.6110.5S56 G57 Q58 W60R54-S56 PolarHBondContact O-N 2.9Å; R54-G57 WeakPolarHBondContact O-CA 3.22Å; R54-G57 PolarHBondContact O-N 2.91Å; R54-Q58 PolarHBondContact N-O 2.86Å; R54-W60 HydrophobicContact CG-CB 3.92Å
55D88.1Confident94.1Very high181 Ų18161.6 Ų61.697%0.96830%0.297SS*.THydrogen-bonded Turntrans-57.2-23.8174.8-57-30.4000113.2G57D55-G57 PolarHBondContact O-N 2.86Å
56S87.2Confident94.2Very high88 Ų8864.5 Ų64.562%0.61532%0.316SS*.THydrogen-bonded Turntrans-69.4-7.9172.762.80000114R54 Q58R54-S56 PolarHBondContact O-N 2.9Å; S56-Q58 PolarHBondContact O-N 3.28Å; S56-Q58 PolarHBondContact OG-N 3.46Å
57G86.4Confident94.2Very high36 Ų3658.6 Ų58.637%0.37129%0.294SS..SBendtrans80.8-4-17300000114.4R54 D55R54-G57 WeakPolarHBondContact O-CA 3.22Å; R54-G57 PolarHBondContact O-N 2.91Å; D55-G57 PolarHBondContact O-N 2.86Å
58Q90.2Very high94.1Very high142 Ų14263.5 Ų63.566%0.66433%0.326SS*.  trans-89.5144.2178.9-66.3-175-10.200111.9K53 R54 S56K53-Q58 WeakPolarHBondContact CA-O 3.26Å; R54-Q58 PolarHBondContact N-O 2.86Å; S56-Q58 PolarHBondContact O-N 3.28Å; S56-Q58 PolarHBondContact OG-N 3.46Å
59Y93.9Very high94Very high35 Ų3564.6 Ų64.614%0.13733%0.334CS..EExtended strand (participates in β ladder)trans-79.9129.6172.7-78.7-90.1000110.9I20 V39 W51 K53 I392I20-Y59 HydrophobicContact CD1-CD1 3.88Å; I20-Y59 HydrophobicContact CD1-CD2 3.96Å; I20-Y59 HydrophobicContact CD1-CE1 4.39Å; I20-Y59 HydrophobicContact CD1-CE2 4.48Å; I20-Y59 HydrophobicContact CD1-CG 3.62Å; I20-Y59 HydrophobicContact CG1-CD2 3.87Å; I20-Y59 HydrophobicContact CG1-CG 3.9Å; V39-Y59 HydrophobicContact CG2-CE1 3.99Å; W51-Y59 HydrophobicContact CB-CD1 3.78Å; W51-Y59 HydrophobicContact CB-CG 4.43Å; K53-Y59 HydrophobicContact CB-CD1 4.22Å; K53-Y59 HydrophobicContact CB-CE1 3.97Å; K53-Y59 HydrophobicContact CB-CE2 4.42Å; K53-Y59 HydrophobicContact CD-CE2 4.27Å; K53-Y59 HydrophobicContact CG-CD2 4.47Å; K53-Y59 HydrophobicContact CG-CE2 4.21Å; Y59-I392 HydrophobicContact CE1-CD1 4.4Å; Y59-I392 HydrophobicContact CE2-CD1 3.89Å; Y59-I392 WeakPolarHBondContact OH-CD1 3.38Å
60W93Very high94Very high151 Ų15164.9 Ų64.957%0.57234%0.337SS*.EExtended strand (participates in β ladder)trans-116.8134.2177.6-174.8-90.2000110.7W51 L52 R54 S62W51-W60 CarbonylContact C-O 3.58Å; W51-W60 WeakPolarHBondContact CA-O 3.29Å; L52-W60 PolarHBondContact N-O 2.79Å; L52-W60 PolarHBondContact O-N 3.4Å; R54-W60 HydrophobicContact CG-CB 3.92Å; W60-S62 PolarHBondContact O-N 3.12Å
61P93.7Very high94Very high41 Ų4164.9 Ų64.927%0.26634%0.337SS..EExtended strand (participates in β ladder)trans-74.895.7177.530.5-31.2000109.8V50 W51V50-P61 CarbonylContact O-C 3.59Å; V50-P61 WeakPolarHBondContact O-CA 3.37Å; W51-P61 HydrophobicContact CD2-CB 4.39Å; W51-P61 HydrophobicContact CE3-CB 3.9Å; W51-P61 HydrophobicContact CE3-CG 4.31Å; W51-P61 HydrophobicContact CH2-CB 4.15Å; W51-P61 HydrophobicContact CH2-CG 4.36Å; W51-P61 HydrophobicContact CZ3-CB 3.77Å; W51-P61 HydrophobicContact CZ3-CG 3.84Å
62S93.4Very high94Very high27 Ų2765 Ų6519%0.18934%0.339CS..EExtended strand (participates in β ladder)trans-70.2-35.8175.1-78.80000112.1V50 L52 W60 N102V50-S62 PolarHBondContact O-N 3.43Å; L52-S62 WeakPolarHBondContact CD1-OG 3.32Å; W60-S62 PolarHBondContact O-N 3.12Å; S62-N102 VanDerWaalsContact CB-OD1 3.25Å; S62-N102 WeakPolarHBondContact CB-OD1 3.48Å; S62-N102 PolarHBondContact OG-OD1 2.84Å
63V96.1Very high94.1Very high14 Ų1464.5 Ų64.59%0.08534%0.337CS..EExtended strand (participates in β ladder)trans-118.2135172.31800000108.9R49 V50 M104R49-V63 VanDerWaalsContact CA-O 3.31Å; R49-V63 WeakPolarHBondContact CA-O 3.37Å; V50-V63 HydrophobicContact CB-CB 3.79Å; V50-V63 HydrophobicContact CB-CG2 4.04Å; V50-V63 HydrophobicContact CG2-CB 3.76Å; V50-V63 HydrophobicContact CG2-CG1 4.37Å; V50-V63 HydrophobicContact CG2-CG2 4.07Å; V50-V63 PolarHBondContact N-O 3.5Å; V50-V63 PolarHBondContact O-N 2.79Å; V63-M104 HydrophobicContact CG1-CB 3.88Å; V63-M104 HydrophobicContact CG1-CE 4.41Å
64Y96.4Very high94.3Very high122 Ų12261.3 Ų61.348%0.47832%0.323SS..EExtended strand (participates in β ladder)trans-132.7115.8170.3-173.7-78.2000108.2T47 R49T47-Y64 HydrophobicContact CG2-CE1 4.08Å; T47-Y64 HydrophobicContact CG2-CE2 4.07Å; T47-Y64 WeakPolarHBondContact CG2-OH 2.94Å; R49-Y64 HydrophobicContact CG-CD2 4.04Å; R49-Y64 HydrophobicContact CG-CE2 4.46Å
65H96.9Very high94.5Very high67 Ų6756.4 Ų56.431%0.3131%0.307SS..EExtended strand (participates in β ladder)trans-130.3135.9-178.4-173.477.6000110.5T47 I48 M67 F95 M104T47-H65 CarbonylContact C-O 3.5Å; T47-H65 VanDerWaalsContact CA-O 3.29Å; T47-H65 WeakPolarHBondContact CA-O 3.49Å; I48-H65 HydrophobicContact CB-CB 4.38Å; I48-H65 PolarHBondContact N-O 2.88Å; I48-H65 PolarHBondContact O-N 3.25Å; H65-M67 VanDerWaalsContact CD2-SD 3.58Å; H65-F95 AromaticContact CD2-CE1 3.96Å; H65-F95 AromaticContact NE2-CE1 3.68Å; H65-F95 AromaticContact NE2-CZ 3.9Å; H65-M104 HydrophobicContact CB-CE 3.33Å; H65-M104 VanDerWaalsContact CG-CE 3.43Å
66T97.3Very high95Very high83 Ų8349.1 Ų49.151%0.50927%0.267SS..EExtended strand (participates in β ladder)trans-103.5128.2-179.4-58.40000110.4R46R46-T66 CarbonylContact O-C 3.6Å; R46-T66 WeakPolarHBondContact O-CA 3.38Å
67M97.1Very high95.4Very high7 Ų746 Ų463%0.03424%0.244CC..  trans-92.1155.6179.6-64.1-58-76.200111.3R46 I48 H65 S69 C71 M87 C93 F95R46-M67 HydrophobicContact CB-CB 4.49Å; R46-M67 PolarHBondContact O-N 2.86Å; I48-M67 HydrophobicContact CD1-CE 4.23Å; I48-M67 HydrophobicContact CD1-CG 3.91Å; I48-M67 HydrophobicContact CD1-SD 3.5Å; I48-M67 WeakPolarHBondContact CD1-SD 3.49Å; I48-M67 HydrophobicContact CG1-CG 3.83Å; I48-M67 HydrophobicContact CG1-SD 4.1Å; H65-M67 VanDerWaalsContact CD2-SD 3.58Å; M67-S69 WeakPolarHBondContact CB-O 3.15Å; M67-S69 PolarHBondContact O-N 2.75Å; M67-C71 VanDerWaalsContact CG-SG 3.56Å; M67-M87 HydrophobicContact CB-SD 4.39Å; M67-M87 HydrophobicContact CE-SD 3.79Å; M67-C93 HydrophobicContact CE-CB 3.59Å; M67-F95 HydrophobicContact CE-CE2 3.96Å; M67-F95 HydrophobicContact CE-CZ 3.87Å; M67-F95 HydrophobicContact SD-CE2 4.11Å; M67-F95 HydrophobicContact SD-CZ 3.64Å
68P95.4Very high95.7Very high106 Ų10647 Ų4769%0.68824%0.243SC*.SBendtrans-66.9-25.8178.426.4-34.4000113M87P68-M87 HydrophobicContact CG-CE 4.25Å; P68-M87 HydrophobicContact CG-SD 3.85Å
69S96.9Very high95.8Very high23 Ų2347.6 Ų47.616%0.16125%0.246CC..SBendtrans-139.2171.7178.6-167.70000111.3M67 T89M67-S69 WeakPolarHBondContact CB-O 3.15Å; M67-S69 PolarHBondContact O-N 2.75Å; S69-T89 WeakPolarHBondContact OG-CG2 3.46Å
70S97.1Very high95.8Very high17 Ų1748 Ų4812%0.11925%0.253CS..  trans-62.2133.6177.51600000110.1E44 M87 D88E44-S70 WeakPolarHBondContact CA-OG 3.5Å; S70-M87 WeakPolarHBondContact O-CA 3.26Å; S70-D88 WeakPolarHBondContact CB-OD2 2.98Å; S70-D88 PolarHBondContact O-N 2.81Å; S70-D88 PolarHBondContact OG-OD2 2.9Å
71C97.4Very high95.9Very high0 Ų044 Ų440%024%0.237CC..EExtended strand (participates in β ladder)trans-83.6123.5-179.2-56.30000109.1T28 V42 S43 M67 V85T28-C71 WeakPolarHBondContact CB-O 3.41Å; T28-C71 VanDerWaalsContact CG2-O 3.29Å; T28-C71 WeakPolarHBondContact CG2-O 3.34Å; T28-C71 PolarHBondContact OG1-O 2.91Å; V42-C71 HydrophobicContact CB-CB 3.66Å; V42-C71 HydrophobicContact CG1-CB 4.46Å; V42-C71 HydrophobicContact CG2-CB 4.13Å; S43-C71 PolarHBondContact O-N 2.78Å; M67-C71 VanDerWaalsContact CG-SG 3.56Å; C71-V85 HydrophobicContact CB-CG1 3.97Å
72S97.1Very high96Very high7 Ų744 Ų445%0.04923%0.232CC..EExtended strand (participates in β ladder)trans-99.8-32.6-173.257.10000113.7G86 M87 D88 V117S72-G86 PolarHBondContact N-O 3.35Å; S72-G86 VanDerWaalsContact OG-C 3.27Å; S72-G86 PolarHBondContact OG-O 2.6Å; S72-G86 VanDerWaalsContact OG-O 3.12Å; S72-M87 PolarHBondContact OG-N 2.91Å; S72-D88 WeakPolarHBondContact CB-OD1 3.45Å; S72-V117 WeakPolarHBondContact CB-O 3.29Å; S72-V117 PolarHBondContact OG-O 3Å
73C97.1Very high96.2Very high10 Ų1042.8 Ų42.87%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-157.4165.7-179.662.70000110.9G86 A118C73-G86 PolarHBondContact O-N 2.9Å; C73-A118 WeakPolarHBondContact CB-O 3.16Å
74M97.6Very high96.3Very high10 Ų1042.1 Ų42.15%0.04922%0.219CC..EExtended strand (participates in β ladder)trans-147.8159.6172.475.1-176.1-156.100112.3A29 A31 I40 V42 L83 S84 V85A29-M74 HydrophobicContact CB-CB 4.46Å; A29-M74 HydrophobicContact CB-CG 3.7Å; A29-M74 HydrophobicContact CB-SD 4.3Å; A31-M74 HydrophobicContact CB-CE 3.35Å; I40-M74 HydrophobicContact CB-CE 4.45Å; I40-M74 HydrophobicContact CG2-CE 4.45Å; I40-M74 HydrophobicContact CG2-SD 4.28Å; V42-M74 HydrophobicContact CB-SD 4.34Å; V42-M74 HydrophobicContact CG1-CB 4.11Å; V42-M74 HydrophobicContact CG1-CG 4.5Å; V42-M74 HydrophobicContact CG1-SD 3.76Å; V42-M74 HydrophobicContact CG2-CB 3.95Å; V42-M74 HydrophobicContact CG2-CG 4.07Å; V42-M74 HydrophobicContact CG2-SD 3.87Å; M74-L83 HydrophobicContact CB-CD1 4.2Å; M74-L83 HydrophobicContact SD-CD1 4.27Å; M74-S84 CarbonylContact C-O 3.5Å; M74-S84 WeakPolarHBondContact CA-O 3.43Å; M74-S84 WeakPolarHBondContact CB-O 3.41Å; M74-V85 HydrophobicContact CB-CG2 4.31Å
75S97.1Very high96.4Very high17 Ų1736.3 Ų36.312%0.11920%0.196CC..EExtended strand (participates in β ladder)trans-132.1128.5167.7176.70000108.3S84 V120 F122S75-S84 PolarHBondContact N-O 2.9Å; S75-S84 PolarHBondContact O-N 2.89Å; S75-V120 WeakPolarHBondContact CB-O 3.49Å; S75-F122 PolarHBondContact OG-N 2.92Å
76F96.8Very high96.5Very high29 Ų2933.1 Ų33.113%0.12718%0.182CC..EExtended strand (participates in β ladder)trans-118.9127.2177.1174.4-117.6000109.5A31 I40 P78 R82 L83 L97 Y101A31-F76 HydrophobicContact CB-CB 4.42Å; I40-F76 HydrophobicContact CD1-CB 4.42Å; I40-F76 HydrophobicContact CD1-CD1 3.79Å; I40-F76 HydrophobicContact CD1-CD2 3.51Å; I40-F76 HydrophobicContact CD1-CE1 3.84Å; I40-F76 HydrophobicContact CD1-CE2 3.59Å; I40-F76 HydrophobicContact CD1-CG 3.62Å; I40-F76 HydrophobicContact CD1-CZ 3.75Å; F76-P78 HydrophobicContact CE1-CB 3.94Å; F76-P78 HydrophobicContact CZ-CB 4.34Å; F76-R82 WeakPolarHBondContact CD2-O 3.42Å; F76-L83 HydrophobicContact CB-CD1 4.17Å; F76-L83 HydrophobicContact CD2-CB 4.39Å; F76-L97 HydrophobicContact CD2-CD1 4.37Å; F76-L97 HydrophobicContact CE2-CD1 3.83Å; F76-Y101 HydrophobicContact CE2-CE1 4.49Å; F76-Y101 AromaticContact CZ-CE1 3.92Å; F76-Y101 HydrophobicContact CZ-CE1 3.92Å
77N95.5Very high96.5Very high23 Ų2329.2 Ų29.212%0.12316%0.158CC..EExtended strand (participates in β ladder)trans-106.2114.9172.7178.9-70000109.1E79 T80 R81 R82 F122N77-E79 VanDerWaalsContact C-N 3.35Å; N77-E79 PolarHBondContact O-N 3.41Å; N77-E79 PolarHBondContact OD1-N 2.87Å; N77-E79 VanDerWaalsContact OD1-N 3.1Å; N77-T80 PolarHBondContact OD1-N 3.5Å; N77-T80 PolarHBondContact OD1-OG1 3.09Å; N77-R81 WeakPolarHBondContact O-CA 3.22Å; N77-R81 PolarHBondContact O-N 3.47Å; N77-R82 PolarHBondContact N-O 2.88Å; N77-R82 PolarHBondContact O-N 3.17Å; N77-F122 HydrophobicContact CB-CD1 3.69Å; N77-F122 HydrophobicContact CB-CE1 4.11Å
78P92.9Very high96.5Very high56 Ų5631.6 Ų31.636%0.36417%0.171SC..THydrogen-bonded Turntrans-72.5-25.3-174.829.4-36.7000113.7P34 F76P34-P78 HydrophobicContact CG-CB 3.7Å; P34-P78 HydrophobicContact CG-CG 3.92Å; F76-P78 HydrophobicContact CE1-CB 3.94Å; F76-P78 HydrophobicContact CZ-CB 4.34Å
79E92.8Very high96.5Very high155 Ų15529.8 Ų29.872%0.72416%0.157SC*.THydrogen-bonded Turntrans-72.2-43.6-178.7-59.4-174.1169.900111.7N77 L124N77-E79 VanDerWaalsContact C-N 3.35Å; N77-E79 PolarHBondContact O-N 3.41Å; N77-E79 PolarHBondContact OD1-N 2.87Å; N77-E79 VanDerWaalsContact OD1-N 3.1Å; E79-L124 WeakPolarHBondContact OE2-CD2 3.17Å
80T94.3Very high96.5Very high44 Ų4428.7 Ų28.727%0.2715%0.15SC..THydrogen-bonded Turntrans-95.3-9.7179.658.80000113.4N77 R82 L124N77-T80 PolarHBondContact OD1-N 3.5Å; N77-T80 PolarHBondContact OD1-OG1 3.09Å; T80-R82 PolarHBondContact O-N 2.99Å; T80-R82 VanDerWaalsContact O-N 3.17Å; T80-R82 WeakPolarHBondContact OG1-CG 3.5Å; T80-R82 PolarHBondContact OG1-N 2.84Å; T80-L124 HydrophobicContact CG2-CD1 3.46Å; T80-L124 VanDerWaalsContact CG2-CD1 3.46Å; T80-L124 HydrophobicContact CG2-CD2 4.19Å; T80-L124 HydrophobicContact CG2-CG 4.48Å
81R95.6Very high96.5Very high67 Ų6728.7 Ų28.725%0.25315%0.15SC..THydrogen-bonded Turntrans55.923.7-171.9-59178.4-67.2-121.90.9113.3N77 L97 E99 Y101N77-R81 WeakPolarHBondContact O-CA 3.22Å; N77-R81 PolarHBondContact O-N 3.47Å; R81-L97 HydrophobicContact CB-CB 4.21Å; R81-L97 PolarHBondContact NE-O 3.04Å; R81-L97 PolarHBondContact O-N 3.46Å; R81-E99 IonicContact CZ-OE1 3.46Å; R81-E99 VanDerWaalsContact CZ-OE1 3.32Å; R81-E99 VanDerWaalsContact NH1-CD 3.33Å; R81-E99 IonicContact NH1-OE1 3.7Å; R81-E99 PolarHBondContact NH1-OE1 3.2Å; R81-E99 IonicContact NH2-OE1 3.95Å; R81-E99 PolarHBondContact NH2-OE1 3.14Å; R81-Y101 HydrophobicContact CG-CE1 4.43Å
82R95.9Very high96.5Very high41 Ų4128.7 Ų28.716%0.15515%0.15CC..EExtended strand (participates in β ladder)trans-79.2132.1174.9-70.6-178.477.21608.1109.8F76 N77 T80 E94 F95 I96 E127 S143F76-R82 WeakPolarHBondContact CD2-O 3.42Å; N77-R82 PolarHBondContact N-O 2.88Å; N77-R82 PolarHBondContact O-N 3.17Å; T80-R82 PolarHBondContact O-N 2.99Å; T80-R82 VanDerWaalsContact O-N 3.17Å; T80-R82 WeakPolarHBondContact OG1-CG 3.5Å; T80-R82 PolarHBondContact OG1-N 2.84Å; R82-E94 IonicContact CZ-OE1 2.96Å; R82-E94 IonicContact NE-OE1 3.29Å; R82-E94 IonicContact NH2-OE1 2.82Å; R82-E94 PolarHBondContact NH2-OE1 3.1Å; R82-E94 IonicContact NH2-OE2 3.14Å; R82-F95 WeakPolarHBondContact CA-O 3.28Å; R82-I96 HydrophobicContact CG-CG1 4.34Å; R82-E127 IonicContact NH1-OE2 3.75Å; R82-E127 PolarHBondContact NH1-OE2 2.88Å; R82-S143 PolarHBondContact NH1-OG 3Å; R82-S143 PolarHBondContact NH2-O 3.41Å
83L97.8Very high96.5Very high0 Ų028.7 Ų28.70%015%0.15CC..EExtended strand (participates in β ladder)trans-118.5119.5173.417467.3000108.4I40 I48 M74 F76 V85 E94 F95 M104I40-L83 HydrophobicContact CG2-CD1 4.16Å; I40-L83 HydrophobicContact CG2-CD2 3.99Å; I48-L83 HydrophobicContact CG2-CD2 3.73Å; M74-L83 HydrophobicContact CB-CD1 4.2Å; M74-L83 HydrophobicContact SD-CD1 4.27Å; F76-L83 HydrophobicContact CB-CD1 4.17Å; F76-L83 HydrophobicContact CD2-CB 4.39Å; L83-V85 HydrophobicContact CD1-CG2 4.22Å; L83-V85 HydrophobicContact CD2-CG2 4.1Å; L83-V85 HydrophobicContact CG-CG2 3.86Å; L83-E94 CarbonylContact O-C 3.59Å; L83-E94 WeakPolarHBondContact O-CA 3.3Å; L83-F95 HydrophobicContact CB-CB 4.3Å; L83-F95 PolarHBondContact N-O 2.9Å; L83-F95 PolarHBondContact O-N 2.67Å; L83-M104 HydrophobicContact CD2-SD 4.1Å
84S98Very high96.5Very high0 Ų028.5 Ų28.50%015%0.148CC..EExtended strand (participates in β ladder)trans-105131.1171.7-58.30000109.4M74 S75 L129M74-S84 CarbonylContact C-O 3.5Å; M74-S84 WeakPolarHBondContact CA-O 3.43Å; M74-S84 WeakPolarHBondContact CB-O 3.41Å; S75-S84 PolarHBondContact N-O 2.9Å; S75-S84 PolarHBondContact O-N 2.89Å; S84-L129 VanDerWaalsContact OG-CD1 3.29Å; S84-L129 WeakPolarHBondContact OG-CD1 3.45Å
85V98.4Very high96.5Very high0 Ų028.4 Ų28.40%015%0.147CC..EExtended strand (participates in β ladder)trans-126.1122.5-178.1-177.50000109.8V42 I48 C71 M74 L83 I92 C93 F95V42-V85 HydrophobicContact CG1-CG1 4.07Å; V42-V85 HydrophobicContact CG1-CG2 3.98Å; I48-V85 HydrophobicContact CD1-CB 4.39Å; I48-V85 HydrophobicContact CD1-CG2 3.76Å; I48-V85 HydrophobicContact CG1-CG2 4.38Å; C71-V85 HydrophobicContact CB-CG1 3.97Å; M74-V85 HydrophobicContact CB-CG2 4.31Å; L83-V85 HydrophobicContact CD1-CG2 4.22Å; L83-V85 HydrophobicContact CD2-CG2 4.1Å; L83-V85 HydrophobicContact CG-CG2 3.86Å; V85-I92 WeakPolarHBondContact O-CA 3.48Å; V85-C93 PolarHBondContact N-O 2.92Å; V85-C93 PolarHBondContact O-N 2.74Å; V85-F95 HydrophobicContact CG2-CD2 4.42Å; V85-F95 HydrophobicContact CG2-CE2 4.4Å
86G97.9Very high96.5Very high0 Ų031.9 Ų31.90%016%0.164CC..EExtended strand (participates in β ladder)trans-89.9148.3171.700000111.2S72 C73S72-G86 PolarHBondContact N-O 3.35Å; S72-G86 VanDerWaalsContact OG-C 3.27Å; S72-G86 PolarHBondContact OG-O 2.6Å; S72-G86 VanDerWaalsContact OG-O 3.12Å; C73-G86 PolarHBondContact O-N 2.9Å
87M97.9Very high96.5Very high2 Ų230.6 Ų30.61%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-123162.9-178.8-65.1-178.9-69.100112.8M67 P68 S70 S72 T89 G90 S91 C93 V117M67-M87 HydrophobicContact CB-SD 4.39Å; M67-M87 HydrophobicContact CE-SD 3.79Å; P68-M87 HydrophobicContact CG-CE 4.25Å; P68-M87 HydrophobicContact CG-SD 3.85Å; S70-M87 WeakPolarHBondContact O-CA 3.26Å; S72-M87 PolarHBondContact OG-N 2.91Å; M87-T89 PolarHBondContact O-N 3.11Å; M87-G90 PolarHBondContact O-N 3.02Å; M87-S91 PolarHBondContact N-O 2.93Å; M87-S91 VanDerWaalsContact N-O 3.08Å; M87-C93 VanDerWaalsContact CE-SG 3.51Å; M87-V117 PolarHBondContact O-N 2.54Å
88D96.7Very high96.5Very high57 Ų5731 Ų3131%0.30516%0.162SC..THydrogen-bonded Turntrans-63.3-21.1176.2-71.6-24.2000113.3S70 S72 G90 R116S70-D88 WeakPolarHBondContact CB-OD2 2.98Å; S70-D88 PolarHBondContact O-N 2.81Å; S70-D88 PolarHBondContact OG-OD2 2.9Å; S72-D88 WeakPolarHBondContact CB-OD1 3.45Å; D88-G90 VanDerWaalsContact C-N 3.27Å; D88-G90 PolarHBondContact O-N 3.33Å; D88-R116 WeakPolarHBondContact O-CA 3.48Å; D88-R116 PolarHBondContact O-N 3.22Å; D88-R116 WeakPolarHBondContact OD1-CD 3.4Å; D88-R116 WeakPolarHBondContact OD1-CG 3.44Å; D88-R116 IonicContact OD1-CZ 2.7Å; D88-R116 IonicContact OD1-NE 3.86Å; D88-R116 PolarHBondContact OD1-NE 2.98Å
89T96.9Very high96.5Very high67 Ų6734.9 Ų34.941%0.41118%0.176SC..THydrogen-bonded Turntrans-78.2-7.9175.452.20000113.8S69 M87 S91 Q111S69-T89 WeakPolarHBondContact OG-CG2 3.46Å; M87-T89 PolarHBondContact O-N 3.11Å; T89-S91 PolarHBondContact OG1-OG 3.03Å; T89-Q111 PolarHBondContact O-NE2 2.99Å
90G96.7Very high96.5Very high0 Ų031.9 Ų31.90%017%0.165CC..SBendtrans86.21.1-176.500000115.4M87 D88 A112 H113 G115M87-G90 PolarHBondContact O-N 3.02Å; D88-G90 VanDerWaalsContact C-N 3.27Å; D88-G90 PolarHBondContact O-N 3.33Å; G90-A112 PolarHBondContact O-N 3.18Å; G90-A112 VanDerWaalsContact O-N 3.12Å; G90-H113 WeakPolarHBondContact CA-O 3.5Å; G90-H113 PolarHBondContact O-N 3.38Å; G90-G115 WeakPolarHBondContact CA-O 3.35Å; G90-G115 PolarHBondContact N-O 2.95Å
91S97.1Very high96.5Very high18 Ų1830.6 Ų30.613%0.12616%0.155CC..EExtended strand (participates in β ladder)trans-86.1149.9173.1-19.80000110.9M87 T89 Y110 Q111M87-S91 PolarHBondContact N-O 2.93Å; M87-S91 VanDerWaalsContact N-O 3.08Å; T89-S91 PolarHBondContact OG1-OG 3.03Å; S91-Y110 CarbonylContact C-O 3.59Å; S91-Y110 VanDerWaalsContact CA-O 3.31Å; S91-Y110 WeakPolarHBondContact CA-O 3.47Å; S91-Q111 PolarHBondContact OG-OE1 2.93Å
92I97.6Very high96.4Very high0 Ų030.9 Ų30.90%016%0.162CC..EExtended strand (participates in β ladder)trans-116.4132.2173.6-59174.5000108.2V85 T109 Y110 A112 V117 V120 L129 S131V85-I92 WeakPolarHBondContact O-CA 3.48Å; I92-T109 WeakPolarHBondContact O-CA 3.31Å; I92-Y110 HydrophobicContact CB-CE2 4.27Å; I92-Y110 HydrophobicContact CD1-CE2 4.49Å; I92-Y110 PolarHBondContact N-O 2.87Å; I92-Y110 PolarHBondContact O-N 3.22Å; I92-A112 HydrophobicContact CD1-CB 3.46Å; I92-A112 VanDerWaalsContact CD1-CB 3.46Å; I92-A112 HydrophobicContact CG1-CB 3.87Å; I92-V117 HydrophobicContact CD1-CG1 4.4Å; I92-V117 HydrophobicContact CG1-CG1 4.42Å; I92-V117 HydrophobicContact CG1-CG2 4.13Å; I92-V120 HydrophobicContact CD1-CG2 4.24Å; I92-V120 HydrophobicContact CG2-CG2 4.34Å; I92-L129 HydrophobicContact CD1-CD2 4.28Å; I92-L129 HydrophobicContact CG2-CD2 3.56Å; I92-S131 VanDerWaalsContact CD1-CB 3.48Å
93C97.1Very high96.4Very high7 Ų735.4 Ų35.45%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-115.9134176.6-66.50000109.8M67 V85 M87 F95 T109M67-C93 HydrophobicContact CE-CB 3.59Å; V85-C93 PolarHBondContact N-O 2.92Å; V85-C93 PolarHBondContact O-N 2.74Å; M87-C93 VanDerWaalsContact CE-SG 3.51Å; C93-F95 HydrophobicContact CB-CE2 3.63Å; C93-F95 HydrophobicContact CB-CZ 4.01Å; C93-T109 WeakPolarHBondContact SG-CG2 3.46Å; C93-T109 PolarHBondContact SG-OG1 2.82Å
94E96.9Very high96.3Very high5 Ų536.7 Ų36.72%0.02319%0.189CC..EExtended strand (participates in β ladder)trans-107.1147.5176.7-62-168.778.100111.1R82 L83 G107 L108 Y110R82-E94 IonicContact CZ-OE1 2.96Å; R82-E94 IonicContact NE-OE1 3.29Å; R82-E94 IonicContact NH2-OE1 2.82Å; R82-E94 PolarHBondContact NH2-OE1 3.1Å; R82-E94 IonicContact NH2-OE2 3.14Å; L83-E94 CarbonylContact O-C 3.59Å; L83-E94 WeakPolarHBondContact O-CA 3.3Å; E94-G107 WeakPolarHBondContact O-CA 3.18Å; E94-G107 PolarHBondContact O-N 2.9Å; E94-L108 PolarHBondContact N-O 2.83Å; E94-Y110 WeakPolarHBondContact OE2-CE1 3.47Å; E94-Y110 PolarHBondContact OE2-OH 2.86Å
95F97.2Very high96.3Very high8 Ų840 Ų404%0.03521%0.209CC..EExtended strand (participates in β ladder)trans-140.8153.7-179.9-59.1-90.4000110I48 H65 M67 R82 L83 V85 C93 M104 T105 P106I48-F95 HydrophobicContact CD1-CD2 3.98Å; I48-F95 HydrophobicContact CD1-CE2 3.45Å; I48-F95 VanDerWaalsContact CD1-CE2 3.45Å; I48-F95 HydrophobicContact CD1-CZ 3.81Å; H65-F95 AromaticContact CD2-CE1 3.96Å; H65-F95 AromaticContact NE2-CE1 3.68Å; H65-F95 AromaticContact NE2-CZ 3.9Å; M67-F95 HydrophobicContact CE-CE2 3.96Å; M67-F95 HydrophobicContact CE-CZ 3.87Å; M67-F95 HydrophobicContact SD-CE2 4.11Å; M67-F95 HydrophobicContact SD-CZ 3.64Å; R82-F95 WeakPolarHBondContact CA-O 3.28Å; L83-F95 HydrophobicContact CB-CB 4.3Å; L83-F95 PolarHBondContact N-O 2.9Å; L83-F95 PolarHBondContact O-N 2.67Å; V85-F95 HydrophobicContact CG2-CD2 4.42Å; V85-F95 HydrophobicContact CG2-CE2 4.4Å; C93-F95 HydrophobicContact CB-CE2 3.63Å; C93-F95 HydrophobicContact CB-CZ 4.01Å; F95-M104 HydrophobicContact CB-CG 3.64Å; F95-M104 HydrophobicContact CB-SD 3.81Å; F95-M104 HydrophobicContact CD1-CE 3.64Å; F95-M104 HydrophobicContact CD1-CG 3.84Å; F95-M104 HydrophobicContact CD1-SD 3.86Å; F95-M104 HydrophobicContact CD2-SD 4.44Å; F95-M104 HydrophobicContact CE1-CE 3.83Å; F95-M104 HydrophobicContact CG-CE 4.1Å; F95-M104 HydrophobicContact CG-CG 4Å; F95-M104 HydrophobicContact CG-SD 3.78Å; F95-M104 HydrophobicContact CZ-CE 4.45Å; F95-T105 CarbonylContact C-O 3.59Å; F95-T105 VanDerWaalsContact CA-O 3.32Å; F95-T105 WeakPolarHBondContact CA-O 3.36Å; F95-P106 HydrophobicContact CD1-CB 4.17Å; F95-P106 HydrophobicContact CE1-CB 4.06Å
96I97Very high96.1Very high90 Ų9044.4 Ų44.446%0.46224%0.238SC..EExtended strand (participates in β ladder)trans-119.7125.4171.8-59.9174.2000108.1R82 T105R82-I96 HydrophobicContact CG-CG1 4.34Å; I96-T105 PolarHBondContact N-O 2.82Å; I96-T105 PolarHBondContact O-N 3.48Å
97L96.8Very high95.8Very high2 Ų246.5 Ų46.51%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-86.2142.9175.3-65.7166.1000110.6I40 V50 F76 R81 Y101 M104I40-L97 HydrophobicContact CD1-CD1 3.43Å; I40-L97 VanDerWaalsContact CD1-CD1 3.43Å; I40-L97 HydrophobicContact CG1-CD1 4.23Å; V50-L97 HydrophobicContact CG2-CD1 4.48Å; V50-L97 HydrophobicContact CG2-CD2 3.82Å; F76-L97 HydrophobicContact CD2-CD1 4.37Å; F76-L97 HydrophobicContact CE2-CD1 3.83Å; R81-L97 HydrophobicContact CB-CB 4.21Å; R81-L97 PolarHBondContact NE-O 3.04Å; R81-L97 PolarHBondContact O-N 3.46Å; L97-Y101 HydrophobicContact CB-CD1 3.99Å; L97-Y101 HydrophobicContact CB-CE1 4.23Å; L97-Y101 HydrophobicContact CD1-CD1 3.95Å; L97-Y101 HydrophobicContact CD1-CE1 4.15Å; L97-Y101 HydrophobicContact CG-CD1 4.49Å; L97-M104 HydrophobicContact CD2-CB 3.71Å; L97-M104 HydrophobicContact CD2-CG 3.72Å; L97-M104 HydrophobicContact CD2-SD 4.13Å
98S95.8Very high95.6Very high31 Ų3149.6 Ų49.622%0.21728%0.276CS..  trans-66.5161.8170.256.70000111.1D100 Y101 N102 K103S98-D100 VanDerWaalsContact CB-OD1 3.28Å; S98-D100 WeakPolarHBondContact CB-OD1 3.36Å; S98-D100 PolarHBondContact O-N 3.36Å; S98-D100 PolarHBondContact OG-OD1 3.3Å; S98-Y101 PolarHBondContact O-N 3.08Å; S98-N102 PolarHBondContact OG-N 3.48Å; S98-K103 PolarHBondContact N-O 2.94Å; S98-K103 PolarHBondContact OG-N 2.83Å; S98-K103 PolarHBondContact OG-O 2.83Å
99E92.8Very high95.5Very high139 Ų13951.3 Ų51.365%0.6529%0.288SS*.THydrogen-bonded Turntrans-61.4-31.4-176.8-36.5-147114.700112.9R81 Y101R81-E99 IonicContact CZ-OE1 3.46Å; R81-E99 VanDerWaalsContact CZ-OE1 3.32Å; R81-E99 VanDerWaalsContact NH1-CD 3.33Å; R81-E99 IonicContact NH1-OE1 3.7Å; R81-E99 PolarHBondContact NH1-OE1 3.2Å; R81-E99 IonicContact NH2-OE1 3.95Å; R81-E99 PolarHBondContact NH2-OE1 3.14Å; E99-Y101 VanDerWaalsContact C-N 3.34Å; E99-Y101 WeakPolarHBondContact O-CD2 3.47Å
100D92.4Very high95.4Very high91 Ų9149.4 Ų49.449%0.48727%0.274SS..THydrogen-bonded Turntrans-902.3178.372.2-21.1000113.4S98 N102S98-D100 VanDerWaalsContact CB-OD1 3.28Å; S98-D100 WeakPolarHBondContact CB-OD1 3.36Å; S98-D100 PolarHBondContact O-N 3.36Å; S98-D100 PolarHBondContact OG-OD1 3.3Å; D100-N102 VanDerWaalsContact CG-ND2 3.32Å; D100-N102 PolarHBondContact O-N 2.87Å; D100-N102 PolarHBondContact O-ND2 3.04Å; D100-N102 PolarHBondContact OD1-N 2.89Å; D100-N102 WeakPolarHBondContact OD2-CB 3.45Å; D100-N102 PolarHBondContact OD2-ND2 3.43Å
101Y94Very high95.3Very high18 Ų1853.9 Ų53.97%0.07130%0.295CS..SBendtrans5619.1-179.8-62.6-81000115.4I33 E36 F76 R81 L97 S98 E99I33-Y101 HydrophobicContact CD1-CD1 3.84Å; I33-Y101 HydrophobicContact CD1-CE1 4.15Å; I33-Y101 HydrophobicContact CD1-CG 4.06Å; I33-Y101 HydrophobicContact CG2-CD1 4.46Å; I33-Y101 HydrophobicContact CG2-CD2 4.35Å; I33-Y101 HydrophobicContact CG2-CE1 3.85Å; I33-Y101 HydrophobicContact CG2-CE2 3.72Å; I33-Y101 VanDerWaalsContact CG2-CZ 3.43Å; E36-Y101 HydrophobicContact CG-CD2 4.26Å; E36-Y101 HydrophobicContact CG-CE2 3.97Å; F76-Y101 HydrophobicContact CE2-CE1 4.49Å; F76-Y101 AromaticContact CZ-CE1 3.92Å; F76-Y101 HydrophobicContact CZ-CE1 3.92Å; R81-Y101 HydrophobicContact CG-CE1 4.43Å; L97-Y101 HydrophobicContact CB-CD1 3.99Å; L97-Y101 HydrophobicContact CB-CE1 4.23Å; L97-Y101 HydrophobicContact CD1-CD1 3.95Å; L97-Y101 HydrophobicContact CD1-CE1 4.15Å; L97-Y101 HydrophobicContact CG-CD1 4.49Å; S98-Y101 PolarHBondContact O-N 3.08Å; E99-Y101 VanDerWaalsContact C-N 3.34Å; E99-Y101 WeakPolarHBondContact O-CD2 3.47Å
102N93.8Very high95.3Very high72 Ų7253.4 Ų53.439%0.38529%0.291SS..SBendtrans-96.7-6.9177.7-64.5-54.4000113.4L52 S62 S98 D100L52-N102 WeakPolarHBondContact CD1-OD1 3.41Å; S62-N102 VanDerWaalsContact CB-OD1 3.25Å; S62-N102 WeakPolarHBondContact CB-OD1 3.48Å; S62-N102 PolarHBondContact OG-OD1 2.84Å; S98-N102 PolarHBondContact OG-N 3.48Å; D100-N102 VanDerWaalsContact CG-ND2 3.32Å; D100-N102 PolarHBondContact O-N 2.87Å; D100-N102 PolarHBondContact O-ND2 3.04Å; D100-N102 PolarHBondContact OD1-N 2.89Å; D100-N102 WeakPolarHBondContact OD2-CB 3.45Å; D100-N102 PolarHBondContact OD2-ND2 3.43Å
103K95Very high95.2Very high137 Ų13753.5 Ų53.560%0.59629%0.292SS*.  trans-135.5140.9177.9-173.8178.8177.1-176.10110.4S98S98-K103 PolarHBondContact N-O 2.94Å; S98-K103 PolarHBondContact OG-N 2.83Å; S98-K103 PolarHBondContact OG-O 2.83Å
104M96.8Very high95.2Very high26 Ų2661 Ų6113%0.12833%0.327CS..EExtended strand (participates in β ladder)trans-123.1126.4173.7-171.1173.571.300109.1I48 V63 H65 L83 F95 L97I48-M104 HydrophobicContact CB-CE 4.31Å; I48-M104 HydrophobicContact CD1-CE 4.15Å; I48-M104 HydrophobicContact CG2-CE 4.27Å; I48-M104 HydrophobicContact CG2-SD 4.07Å; V63-M104 HydrophobicContact CG1-CB 3.88Å; V63-M104 HydrophobicContact CG1-CE 4.41Å; H65-M104 HydrophobicContact CB-CE 3.33Å; H65-M104 VanDerWaalsContact CG-CE 3.43Å; L83-M104 HydrophobicContact CD2-SD 4.1Å; F95-M104 HydrophobicContact CB-CG 3.64Å; F95-M104 HydrophobicContact CB-SD 3.81Å; F95-M104 HydrophobicContact CD1-CE 3.64Å; F95-M104 HydrophobicContact CD1-CG 3.84Å; F95-M104 HydrophobicContact CD1-SD 3.86Å; F95-M104 HydrophobicContact CD2-SD 4.44Å; F95-M104 HydrophobicContact CE1-CE 3.83Å; F95-M104 HydrophobicContact CG-CE 4.1Å; F95-M104 HydrophobicContact CG-CG 4Å; F95-M104 HydrophobicContact CG-SD 3.78Å; F95-M104 HydrophobicContact CZ-CE 4.45Å; L97-M104 HydrophobicContact CD2-CB 3.71Å; L97-M104 HydrophobicContact CD2-CG 3.72Å; L97-M104 HydrophobicContact CD2-SD 4.13Å
105T97.1Very high95.1Very high70 Ų7061.7 Ų61.743%0.42933%0.334SS..EExtended strand (participates in β ladder)trans-107127.6179.4-51.50000108.9F95 I96F95-T105 CarbonylContact C-O 3.59Å; F95-T105 VanDerWaalsContact CA-O 3.32Å; F95-T105 WeakPolarHBondContact CA-O 3.36Å; I96-T105 PolarHBondContact N-O 2.82Å; I96-T105 PolarHBondContact O-N 3.48Å
106P95.6Very high95Very high93 Ų9364.8 Ų64.860%0.60435%0.346SS*.EExtended strand (participates in β ladder)trans-68.1138.9176.729.1-34.1000110.8F95F95-P106 HydrophobicContact CD1-CB 4.17Å; F95-P106 HydrophobicContact CE1-CB 4.06Å
107G91.3Very high95.1Very high44 Ų4460.5 Ų60.545%0.45432%0.324SS..EExtended strand (participates in β ladder)trans-107.6-138.5171.700000111E94E94-G107 WeakPolarHBondContact O-CA 3.18Å; E94-G107 PolarHBondContact O-N 2.9Å
108L93.4Very high95.1Very high67 Ų6761.3 Ų61.335%0.35133%0.331SS..EExtended strand (participates in β ladder)trans-70.3151.6-179.5-67.3173.6000112.1E94 Y110 E144E94-L108 PolarHBondContact N-O 2.83Å; L108-Y110 HydrophobicContact CB-CD1 4.1Å; L108-Y110 HydrophobicContact CB-CE1 4.14Å; L108-E144 WeakPolarHBondContact CD1-O 3.43Å
109T95.1Very high95.2Very high93 Ų9361.7 Ų61.757%0.57133%0.332SS*.EExtended strand (participates in β ladder)trans-134.7128.6167.3-65.50000108.2I92 C93I92-T109 WeakPolarHBondContact O-CA 3.31Å; C93-T109 WeakPolarHBondContact SG-CG2 3.46Å; C93-T109 PolarHBondContact SG-OG1 2.82Å
110Y93.5Very high95.4Very high27 Ų2755.2 Ų55.211%0.10630%0.302CS..EExtended strand (participates in β ladder)trans-145.3156.5-179.446.8-89.9000111.9S91 I92 E94 L108 A112 L129 H141S91-Y110 CarbonylContact C-O 3.59Å; S91-Y110 VanDerWaalsContact CA-O 3.31Å; S91-Y110 WeakPolarHBondContact CA-O 3.47Å; I92-Y110 HydrophobicContact CB-CE2 4.27Å; I92-Y110 HydrophobicContact CD1-CE2 4.49Å; I92-Y110 PolarHBondContact N-O 2.87Å; I92-Y110 PolarHBondContact O-N 3.22Å; E94-Y110 WeakPolarHBondContact OE2-CE1 3.47Å; E94-Y110 PolarHBondContact OE2-OH 2.86Å; L108-Y110 HydrophobicContact CB-CD1 4.1Å; L108-Y110 HydrophobicContact CB-CE1 4.14Å; Y110-A112 HydrophobicContact CD2-CB 4.4Å; Y110-A112 PolarHBondContact O-N 2.92Å; Y110-L129 HydrophobicContact CE2-CD2 4.45Å; Y110-L129 WeakPolarHBondContact OH-CB 3.04Å; Y110-L129 WeakPolarHBondContact OH-CD2 3.43Å; Y110-H141 AromaticContact CD2-CD2 3.76Å; Y110-H141 HydrophobicContact CE2-CB 3.87Å; Y110-H141 AromaticContact CE2-CD2 3.7Å; Y110-H141 AromaticContact CE2-CG 3.58Å; Y110-H141 AromaticContact CE2-ND1 3.96Å
111Q95.6Very high95.7Very high94 Ų9453 Ų5344%0.43929%0.29SS..EExtended strand (participates in β ladder)trans-88.799.7179.2-168.970.81600109.5T89 S91 H113T89-Q111 PolarHBondContact O-NE2 2.99Å; S91-Q111 PolarHBondContact OG-OE1 2.93Å; Q111-H113 PolarHBondContact NE2-O 2.99Å
112A95.6Very high95.8Very high7 Ų752.9 Ų52.96%0.05829%0.29CS..  trans-89.5-30.2-177.600000113.2G90 I92 Y110G90-A112 PolarHBondContact O-N 3.18Å; G90-A112 VanDerWaalsContact O-N 3.12Å; I92-A112 HydrophobicContact CD1-CB 3.46Å; I92-A112 VanDerWaalsContact CD1-CB 3.46Å; I92-A112 HydrophobicContact CG1-CB 3.87Å; Y110-A112 HydrophobicContact CD2-CB 4.4Å; Y110-A112 PolarHBondContact O-N 2.92Å
113H97.3Very high95.9Very high2 Ų249.8 Ų49.81%0.00927%0.273CS..  trans-137.5160.8-174.4-66.8-81.1000111.9G90 Q111 G115 S131 G133 D135 N137 T139G90-H113 WeakPolarHBondContact CA-O 3.5Å; G90-H113 PolarHBondContact O-N 3.38Å; Q111-H113 PolarHBondContact NE2-O 2.99Å; H113-G115 VanDerWaalsContact C-N 3.35Å; H113-G115 WeakPolarHBondContact CB-O 3.4Å; H113-S131 WeakPolarHBondContact NE2-CB 3.47Å; H113-S131 PolarHBondContact NE2-OG 3.42Å; H113-G133 PolarHBondContact CE1-N 3.47Å; H113-D135 VanDerWaalsContact CA-OD2 3.26Å; H113-D135 WeakPolarHBondContact CA-OD2 3.31Å; H113-D135 WeakPolarHBondContact CB-OD2 3.35Å; H113-D135 IonicContact CE1-OD1 2.85Å; H113-D135 IonicContact CG-OD1 3.6Å; H113-D135 IonicContact CG-OD2 2.9Å; H113-D135 IonicContact ND1-OD1 3.05Å; H113-D135 PolarHBondContact ND1-OD1 3.19Å; H113-D135 IonicContact ND1-OD2 2.74Å; H113-D135 PolarHBondContact ND1-OD2 3.04Å; H113-N137 PolarHBondContact CE1-O 2.98Å; H113-T139 PolarHBondContact CE1-OG1 2.89Å; H113-T139 VanDerWaalsContact CE1-OG1 3.31Å; H113-T139 PolarHBondContact NE2-OG1 2.95Å; H113-T139 VanDerWaalsContact NE2-OG1 3.16Å
114Q95.4Very high95.9Very high166 Ų16645.1 Ų45.178%0.77626%0.255SS*.SBendtrans-93.48.1174-62.4-62.5-33.400113.5D135Q114-D135 HydrophobicContact CB-CB 4.17Å; Q114-D135 PolarHBondContact N-OD2 3.48Å
115G94.7Very high95.9Very high18 Ų1850.5 Ų50.519%0.18628%0.28CS..SBendtrans-160.1-173.8177.900000110.2G90 H113 V117G90-G115 WeakPolarHBondContact CA-O 3.35Å; G90-G115 PolarHBondContact N-O 2.95Å; H113-G115 VanDerWaalsContact C-N 3.35Å; H113-G115 WeakPolarHBondContact CB-O 3.4Å; G115-V117 PolarHBondContact O-N 3.01Å
116R97.1Very high95.7Very high73 Ų7349.4 Ų49.428%0.27527%0.27SS..  trans-48125.2-175.8177.1174.3-161.2-994.4112.6D88 A118 G133 Q134D88-R116 WeakPolarHBondContact O-CA 3.48Å; D88-R116 PolarHBondContact O-N 3.22Å; D88-R116 WeakPolarHBondContact OD1-CD 3.4Å; D88-R116 WeakPolarHBondContact OD1-CG 3.44Å; D88-R116 IonicContact OD1-CZ 2.7Å; D88-R116 IonicContact OD1-NE 3.86Å; D88-R116 PolarHBondContact OD1-NE 2.98Å; R116-A118 PolarHBondContact O-N 3.22Å; R116-G133 WeakPolarHBondContact O-CA 3.37Å; R116-Q134 HydrophobicContact CB-CB 4.48Å; R116-Q134 HydrophobicContact CB-CG 4.12Å; R116-Q134 PolarHBondContact O-N 2.76Å
117V97.9Very high95.7Very high0 Ų047.4 Ų47.40%025%0.253CS..EExtended strand (participates in β ladder)trans-71.1123.3169.6-170.60000107.9S72 M87 I92 G115 T132S72-V117 WeakPolarHBondContact CB-O 3.29Å; S72-V117 PolarHBondContact OG-O 3Å; M87-V117 PolarHBondContact O-N 2.54Å; I92-V117 HydrophobicContact CD1-CG1 4.4Å; I92-V117 HydrophobicContact CG1-CG1 4.42Å; I92-V117 HydrophobicContact CG1-CG2 4.13Å; G115-V117 PolarHBondContact O-N 3.01Å; V117-T132 CarbonylContact C-O 3.53Å; V117-T132 WeakPolarHBondContact CA-O 3.5Å
118A97.1Very high95.9Very high19 Ų1945.4 Ų45.416%0.15723%0.231CC..EExtended strand (participates in β ladder)trans-90-44.5-17700000112.2C73 R116 T132 V158C73-A118 WeakPolarHBondContact CB-O 3.16Å; R116-A118 PolarHBondContact O-N 3.22Å; A118-T132 PolarHBondContact N-O 3.25Å; A118-V158 WeakPolarHBondContact CB-O 3.46Å
119V97.4Very high96.1Very high39 Ų3942.2 Ų42.224%0.23622%0.215CC..EExtended strand (participates in β ladder)trans-141.2142.1176.9-174.10000108.9S131 T132 S159 L161V119-S131 VanDerWaalsContact O-CA 3.3Å; V119-S131 WeakPolarHBondContact O-CA 3.35Å; V119-T132 WeakPolarHBondContact CB-OG1 3.39Å; V119-T132 PolarHBondContact N-OG1 2.8Å; V119-T132 PolarHBondContact O-N 3.01Å; V119-T132 PolarHBondContact O-OG1 2.87Å; V119-S159 WeakPolarHBondContact CG2-O 3.35Å; V119-L161 HydrophobicContact CB-CB 4.02Å; V119-L161 HydrophobicContact CG1-CB 3.88Å; V119-L161 HydrophobicContact CG1-CD2 4.32Å
120V97.7Very high96.2Very high4 Ų437.8 Ų37.82%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-123.4140.8167.668.50000107.9S75 I92 L129 L130S75-V120 WeakPolarHBondContact CB-O 3.49Å; I92-V120 HydrophobicContact CD1-CG2 4.24Å; I92-V120 HydrophobicContact CG2-CG2 4.34Å; V120-L129 HydrophobicContact CG2-CD1 3.64Å; V120-L129 HydrophobicContact CG2-CD2 3.74Å; V120-L129 HydrophobicContact CG2-CG 3.67Å; V120-L130 CarbonylContact C-O 3.47Å; V120-L130 WeakPolarHBondContact CA-O 3.12Å
121L97.5Very high96.5Very high44 Ų4436.5 Ų36.523%0.2318%0.183CC..EExtended strand (participates in β ladder)trans-140.9118.9179.5-178.369.8000109L130 L161 F163L121-L130 HydrophobicContact CB-CB 4.35Å; L121-L130 HydrophobicContact CD2-CD1 4.43Å; L121-L130 PolarHBondContact N-O 2.92Å; L121-L130 PolarHBondContact O-N 2.92Å; L121-L161 HydrophobicContact CB-CD2 3.87Å; L121-F163 HydrophobicContact CD2-CB 3.77Å
122F97.1Very high96.6Very high15 Ų1532 Ų327%0.06616%0.162CC..EExtended strand (participates in β ladder)trans-89.6126.2175176-111.9000110.4S75 N77 L124 E127 L129S75-F122 PolarHBondContact OG-N 2.92Å; N77-F122 HydrophobicContact CB-CD1 3.69Å; N77-F122 HydrophobicContact CB-CE1 4.11Å; F122-L124 HydrophobicContact CE1-CB 4.04Å; F122-L124 HydrophobicContact CE1-CD1 3.94Å; F122-L124 HydrophobicContact CZ-CB 4.47Å; F122-L124 HydrophobicContact CZ-CD1 4.01Å; F122-E127 WeakPolarHBondContact CE2-OE2 3.4Å; F122-E127 WeakPolarHBondContact CZ-OE2 3.42Å; F122-L129 HydrophobicContact CB-CD1 3.73Å; F122-L129 HydrophobicContact CD2-CD1 4.19Å; F122-L129 HydrophobicContact CG-CD1 4.45Å
123V96.8Very high96.6Very high7 Ų731.7 Ų31.74%0.04216%0.159CC..EExtended strand (participates in β ladder)trans-111.2106.7179-178.20000108.3M126 E127 W128 L130 F163 V165V123-M126 HydrophobicContact CG1-CB 4.28Å; V123-M126 HydrophobicContact CG1-CG 4.07Å; V123-M126 HydrophobicContact CG1-SD 4.5Å; V123-E127 WeakPolarHBondContact O-CA 3.34Å; V123-E127 PolarHBondContact O-N 3.28Å; V123-E127 VanDerWaalsContact O-N 3.09Å; V123-W128 HydrophobicContact CB-CB 4.44Å; V123-W128 PolarHBondContact N-O 3.25Å; V123-W128 PolarHBondContact O-N 2.94Å; V123-W128 VanDerWaalsContact O-N 3.09Å; V123-L130 HydrophobicContact CG2-CD1 3.85Å; V123-L130 HydrophobicContact CG2-CG 4.07Å; V123-F163 HydrophobicContact CB-CD1 4.43Å; V123-F163 HydrophobicContact CG1-CD1 3.93Å; V123-F163 HydrophobicContact CG1-CE1 3.85Å; V123-F163 HydrophobicContact CG2-CB 4.43Å; V123-F163 HydrophobicContact CG2-CD1 3.63Å; V123-F163 HydrophobicContact CG2-CE1 4.2Å; V123-F163 HydrophobicContact CG2-CG 4.23Å; V123-V165 HydrophobicContact CG1-CG2 3.89Å
124L95Very high96.5Very high39 Ų3935.1 Ų35.120%0.20418%0.175CC..THydrogen-bonded Turntrans-66.4-45.6-171.6177.958.3000112.1E79 T80 F122 M126 E127E79-L124 WeakPolarHBondContact OE2-CD2 3.17Å; T80-L124 HydrophobicContact CG2-CD1 3.46Å; T80-L124 VanDerWaalsContact CG2-CD1 3.46Å; T80-L124 HydrophobicContact CG2-CD2 4.19Å; T80-L124 HydrophobicContact CG2-CG 4.48Å; F122-L124 HydrophobicContact CE1-CB 4.04Å; F122-L124 HydrophobicContact CE1-CD1 3.94Å; F122-L124 HydrophobicContact CZ-CB 4.47Å; F122-L124 HydrophobicContact CZ-CD1 4.01Å; L124-M126 PolarHBondContact O-N 2.66Å; L124-M126 VanDerWaalsContact O-N 3.13Å; L124-E127 WeakPolarHBondContact CD1-OE1 3.41Å; L124-E127 PolarHBondContact O-N 3.16Å; L124-E127 VanDerWaalsContact O-N 3.09Å
125E94.9Very high96.6Very high140 Ų14028.3 Ų28.365%0.65414%0.144SC*.THydrogen-bonded Turntrans-63.3-25.7-172.9-64.182.3174.900113.3V165E125-V165 HydrophobicContact CB-CG1 3.78Å; E125-V165 HydrophobicContact CG-CG1 3.87Å
126M94Very high96.6Very high47 Ų4732.2 Ų32.223%0.23215%0.153CC..THydrogen-bonded Turntrans-107.3-7.9179.8-50.9-171.587.100112.4V123 L124 W128 F163 R168V123-M126 HydrophobicContact CG1-CB 4.28Å; V123-M126 HydrophobicContact CG1-CG 4.07Å; V123-M126 HydrophobicContact CG1-SD 4.5Å; L124-M126 PolarHBondContact O-N 2.66Å; L124-M126 VanDerWaalsContact O-N 3.13Å; M126-W128 HydrophobicContact CB-CB 4.23Å; M126-W128 HydrophobicContact CB-CD2 3.75Å; M126-W128 HydrophobicContact CB-CE3 4.29Å; M126-W128 HydrophobicContact CB-CG 3.71Å; M126-W128 HydrophobicContact CE-CD2 4.36Å; M126-W128 HydrophobicContact CE-CE3 4.12Å; M126-W128 HydrophobicContact CE-CH2 3.37Å; M126-W128 HydrophobicContact CE-CZ2 3.59Å; M126-W128 HydrophobicContact CE-CZ3 3.64Å; M126-W128 PolarHBondContact O-N 3.23Å; M126-W128 PolarHBondContact O-NE1 3.18Å; M126-W128 HydrophobicContact SD-CD2 4.11Å; M126-W128 HydrophobicContact SD-CE3 3.7Å; M126-W128 HydrophobicContact SD-CH2 4.07Å; M126-W128 HydrophobicContact SD-CZ2 4.39Å; M126-W128 HydrophobicContact SD-CZ3 3.69Å; M126-F163 HydrophobicContact SD-CE1 3.7Å; M126-F163 HydrophobicContact SD-CZ 3.62Å; M126-R168 HydrophobicContact CE-CG 3.86Å; M126-R168 HydrophobicContact SD-CG 4.24Å
127E94.9Very high96.6Very high50 Ų5030.4 Ų30.423%0.23415%0.149CC..THydrogen-bonded Turntrans49.546.6-167.2-73-64.8163.600111.7R82 F122 V123 L124 S143 E144R82-E127 IonicContact NH1-OE2 3.75Å; R82-E127 PolarHBondContact NH1-OE2 2.88Å; F122-E127 WeakPolarHBondContact CE2-OE2 3.4Å; F122-E127 WeakPolarHBondContact CZ-OE2 3.42Å; V123-E127 WeakPolarHBondContact O-CA 3.34Å; V123-E127 PolarHBondContact O-N 3.28Å; V123-E127 VanDerWaalsContact O-N 3.09Å; L124-E127 WeakPolarHBondContact CD1-OE1 3.41Å; L124-E127 PolarHBondContact O-N 3.16Å; L124-E127 VanDerWaalsContact O-N 3.09Å; E127-S143 WeakPolarHBondContact CB-OG 3.21Å; E127-S143 WeakPolarHBondContact O-CB 3.21Å; E127-S143 PolarHBondContact O-N 3.32Å; E127-S143 PolarHBondContact O-OG 3.02Å; E127-S143 PolarHBondContact OE2-OG 3.41Å; E127-E144 HydrophobicContact CB-CG 4.5Å
128W96.4Very high96.6Very high3 Ų330.4 Ų30.41%0.01115%0.149CC..EExtended strand (participates in β ladder)trans-108.8141179.4-70.41.6000111.1V123 M126 L130 H141 L149 F163 L184 E185V123-W128 HydrophobicContact CB-CB 4.44Å; V123-W128 PolarHBondContact N-O 3.25Å; V123-W128 PolarHBondContact O-N 2.94Å; V123-W128 VanDerWaalsContact O-N 3.09Å; M126-W128 HydrophobicContact CB-CB 4.23Å; M126-W128 HydrophobicContact CB-CD2 3.75Å; M126-W128 HydrophobicContact CB-CE3 4.29Å; M126-W128 HydrophobicContact CB-CG 3.71Å; M126-W128 HydrophobicContact CE-CD2 4.36Å; M126-W128 HydrophobicContact CE-CE3 4.12Å; M126-W128 HydrophobicContact CE-CH2 3.37Å; M126-W128 HydrophobicContact CE-CZ2 3.59Å; M126-W128 HydrophobicContact CE-CZ3 3.64Å; M126-W128 PolarHBondContact O-N 3.23Å; M126-W128 PolarHBondContact O-NE1 3.18Å; M126-W128 HydrophobicContact SD-CD2 4.11Å; M126-W128 HydrophobicContact SD-CE3 3.7Å; M126-W128 HydrophobicContact SD-CH2 4.07Å; M126-W128 HydrophobicContact SD-CZ2 4.39Å; M126-W128 HydrophobicContact SD-CZ3 3.69Å; W128-L130 HydrophobicContact CB-CD2 4.25Å; W128-L130 HydrophobicContact CE3-CD2 4.21Å; W128-H141 CarbonylContact C-O 3.56Å; W128-H141 WeakPolarHBondContact CA-O 3.31Å; W128-L149 HydrophobicContact CD2-CD1 4.47Å; W128-L149 HydrophobicContact CG-CD1 4.28Å; W128-F163 HydrophobicContact CZ3-CZ 4.41Å; W128-L184 HydrophobicContact CE3-CD1 4.47Å; W128-L184 HydrophobicContact CH2-CB 4.26Å; W128-L184 HydrophobicContact CZ3-CB 3.74Å; W128-L184 HydrophobicContact CZ3-CD1 4.08Å; W128-E185 WeakPolarHBondContact CH2-O 3.4Å
129L97.3Very high96.6Very high0 Ų029.6 Ų29.60%014%0.142CC..EExtended strand (participates in β ladder)trans-108.7110.8165-161.970.2000109.6S84 I92 Y110 V120 F122 W140 H141S84-L129 VanDerWaalsContact OG-CD1 3.29Å; S84-L129 WeakPolarHBondContact OG-CD1 3.45Å; I92-L129 HydrophobicContact CD1-CD2 4.28Å; I92-L129 HydrophobicContact CG2-CD2 3.56Å; Y110-L129 HydrophobicContact CE2-CD2 4.45Å; Y110-L129 WeakPolarHBondContact OH-CB 3.04Å; Y110-L129 WeakPolarHBondContact OH-CD2 3.43Å; V120-L129 HydrophobicContact CG2-CD1 3.64Å; V120-L129 HydrophobicContact CG2-CD2 3.74Å; V120-L129 HydrophobicContact CG2-CG 3.67Å; F122-L129 HydrophobicContact CB-CD1 3.73Å; F122-L129 HydrophobicContact CD2-CD1 4.19Å; F122-L129 HydrophobicContact CG-CD1 4.45Å; L129-W140 WeakPolarHBondContact O-CA 3.38Å; L129-H141 PolarHBondContact N-O 2.86Å; L129-H141 PolarHBondContact O-N 2.99Å
130L98.1Very high96.6Very high0 Ų027.9 Ų27.90%013%0.131CC..EExtended strand (participates in β ladder)trans-92.1135.4178.2-52.9-173.8000109.1V120 L121 V123 W128 F138 W140 L161 F163 L184V120-L130 CarbonylContact C-O 3.47Å; V120-L130 WeakPolarHBondContact CA-O 3.12Å; L121-L130 HydrophobicContact CB-CB 4.35Å; L121-L130 HydrophobicContact CD2-CD1 4.43Å; L121-L130 PolarHBondContact N-O 2.92Å; L121-L130 PolarHBondContact O-N 2.92Å; V123-L130 HydrophobicContact CG2-CD1 3.85Å; V123-L130 HydrophobicContact CG2-CG 4.07Å; W128-L130 HydrophobicContact CB-CD2 4.25Å; W128-L130 HydrophobicContact CE3-CD2 4.21Å; L130-F138 HydrophobicContact CB-CE2 4.1Å; L130-F138 HydrophobicContact CB-CZ 4.46Å; L130-F138 HydrophobicContact CD2-CZ 4.2Å; L130-W140 HydrophobicContact CD2-CB 3.31Å; L130-W140 HydrophobicContact CD2-CG 4.27Å; L130-L161 HydrophobicContact CB-CD2 3.77Å; L130-F163 HydrophobicContact CD1-CB 3.6Å; L130-F163 HydrophobicContact CD1-CD1 4.23Å; L130-F163 HydrophobicContact CD1-CD2 3.65Å; L130-F163 HydrophobicContact CD1-CE2 4.38Å; L130-F163 HydrophobicContact CD1-CG 3.56Å; L130-L184 HydrophobicContact CD2-CD1 4.15Å
131S97.9Very high96.5Very high0 Ų027.9 Ų27.90%013%0.131CC..EExtended strand (participates in β ladder)trans-143.7149.1-179.9530000113.2I92 H113 V119 F138 T139I92-S131 VanDerWaalsContact CD1-CB 3.48Å; H113-S131 WeakPolarHBondContact NE2-CB 3.47Å; H113-S131 PolarHBondContact NE2-OG 3.42Å; V119-S131 VanDerWaalsContact O-CA 3.3Å; V119-S131 WeakPolarHBondContact O-CA 3.35Å; S131-F138 WeakPolarHBondContact O-CA 3.45Å; S131-F138 VanDerWaalsContact O-CD2 3.31Å; S131-F138 WeakPolarHBondContact O-CD2 3.49Å; S131-T139 PolarHBondContact N-O 3.17Å; S131-T139 PolarHBondContact O-N 3.48Å; S131-T139 PolarHBondContact OG-OG1 2.77Å
132T97.8Very high96.4Very high0 Ų026.9 Ų26.90%013%0.127CC..EExtended strand (participates in β ladder)trans-125148176.356.90000109.8V117 A118 V119 F138 V158 L161V117-T132 CarbonylContact C-O 3.53Å; V117-T132 WeakPolarHBondContact CA-O 3.5Å; A118-T132 PolarHBondContact N-O 3.25Å; V119-T132 WeakPolarHBondContact CB-OG1 3.39Å; V119-T132 PolarHBondContact N-OG1 2.8Å; V119-T132 PolarHBondContact O-N 3.01Å; V119-T132 PolarHBondContact O-OG1 2.87Å; T132-F138 HydrophobicContact CG2-CD2 3.81Å; T132-V158 VanDerWaalsContact CB-CG1 3.47Å; T132-V158 HydrophobicContact CG2-CB 4.15Å; T132-V158 HydrophobicContact CG2-CG1 3.32Å; T132-L161 HydrophobicContact CG2-CB 3.93Å; T132-L161 HydrophobicContact CG2-CD1 4.24Å; T132-L161 HydrophobicContact CG2-CD2 4.19Å; T132-L161 HydrophobicContact CG2-CG 4.34Å
133G96Very high96.2Very high0 Ų026.2 Ų26.20%012%0.124CC..EExtended strand (participates in β ladder)trans-142.6163.7-17700000115H113 R116 D135 R136 N137 V158H113-G133 PolarHBondContact CE1-N 3.47Å; R116-G133 WeakPolarHBondContact O-CA 3.37Å; G133-D135 PolarHBondContact O-N 2.6Å; G133-D135 VanDerWaalsContact O-N 3.16Å; G133-R136 PolarHBondContact O-N 3.12Å; G133-N137 PolarHBondContact N-O 2.76Å; G133-N137 VanDerWaalsContact N-O 3.14Å; G133-V158 PolarHBondContact O-N 2.58Å
134Q96Very high95.9Very high73 Ų7332.9 Ų32.934%0.34116%0.155SC..THydrogen-bonded Turntrans-70.72.3170.4-66.6-174.5-8.700113.2R116 W157R116-Q134 HydrophobicContact CB-CB 4.48Å; R116-Q134 HydrophobicContact CB-CG 4.12Å; R116-Q134 PolarHBondContact O-N 2.76Å; Q134-W157 HydrophobicContact CB-CD2 4.09Å; Q134-W157 HydrophobicContact CB-CE3 4.41Å; Q134-W157 HydrophobicContact CB-CG 4.14Å; Q134-W157 HydrophobicContact CG-CD2 4.29Å; Q134-W157 HydrophobicContact CG-CE3 4.17Å; Q134-W157 HydrophobicContact CG-CG 4.47Å; Q134-W157 PolarHBondContact O-NE1 3.46Å
135D96.1Very high95.8Very high24 Ų2434.2 Ų34.213%0.12817%0.168CC..THydrogen-bonded Turntrans-84.72.7170.663.9-9.4000113.2H113 Q114 G133 N137H113-D135 VanDerWaalsContact CA-OD2 3.26Å; H113-D135 WeakPolarHBondContact CA-OD2 3.31Å; H113-D135 WeakPolarHBondContact CB-OD2 3.35Å; H113-D135 IonicContact CE1-OD1 2.85Å; H113-D135 IonicContact CG-OD1 3.6Å; H113-D135 IonicContact CG-OD2 2.9Å; H113-D135 IonicContact ND1-OD1 3.05Å; H113-D135 PolarHBondContact ND1-OD1 3.19Å; H113-D135 IonicContact ND1-OD2 2.74Å; H113-D135 PolarHBondContact ND1-OD2 3.04Å; Q114-D135 HydrophobicContact CB-CB 4.17Å; Q114-D135 PolarHBondContact N-OD2 3.48Å; G133-D135 PolarHBondContact O-N 2.6Å; G133-D135 VanDerWaalsContact O-N 3.16Å; D135-N137 VanDerWaalsContact C-N 3.25Å; D135-N137 VanDerWaalsContact CG-ND2 3.32Å; D135-N137 WeakPolarHBondContact OD1-CB 3.47Å; D135-N137 PolarHBondContact OD1-N 2.78Å; D135-N137 VanDerWaalsContact OD1-N 3.11Å; D135-N137 PolarHBondContact OD2-ND2 2.91Å
136R96.3Very high95.6Very high100 Ų10028.2 Ų28.238%0.37714%0.143SC..SBendtrans71.516.7-174.8-48.6171.5-81.5-165-12.4113.5G133 R153 T154G133-R136 PolarHBondContact O-N 3.12Å; R136-R153 WeakPolarHBondContact O-CA 3.45Å; R136-T154 PolarHBondContact O-N 3Å; R136-T154 PolarHBondContact O-OG1 3.35Å
137N96.8Very high95.6Very high35 Ų3532.2 Ų32.219%0.18716%0.162CC..EExtended strand (participates in β ladder)trans-105.4138.7177.9-58.8-38000109.8H113 G133 D135 T139 Y152H113-N137 PolarHBondContact CE1-O 2.98Å; G133-N137 PolarHBondContact N-O 2.76Å; G133-N137 VanDerWaalsContact N-O 3.14Å; D135-N137 VanDerWaalsContact C-N 3.25Å; D135-N137 VanDerWaalsContact CG-ND2 3.32Å; D135-N137 WeakPolarHBondContact OD1-CB 3.47Å; D135-N137 PolarHBondContact OD1-N 2.78Å; D135-N137 VanDerWaalsContact OD1-N 3.11Å; D135-N137 PolarHBondContact OD2-ND2 2.91Å; N137-T139 HydrophobicContact CB-CG2 4.19Å; N137-Y152 WeakPolarHBondContact CA-O 3.26Å
138F97.4Very high95.7Very high0 Ų034.3 Ų34.30%017%0.172CC..EExtended strand (participates in β ladder)trans-99130.8154.1167.5-112.6000107L130 S131 T132 W140 T151 Y152 L161 A170 V172 L182 L184L130-F138 HydrophobicContact CB-CE2 4.1Å; L130-F138 HydrophobicContact CB-CZ 4.46Å; L130-F138 HydrophobicContact CD2-CZ 4.2Å; S131-F138 WeakPolarHBondContact O-CA 3.45Å; S131-F138 VanDerWaalsContact O-CD2 3.31Å; S131-F138 WeakPolarHBondContact O-CD2 3.49Å; T132-F138 HydrophobicContact CG2-CD2 3.81Å; F138-W140 HydrophobicContact CD1-CE3 4.15Å; F138-W140 HydrophobicContact CD1-CZ3 4.22Å; F138-W140 AromaticContact CE1-CE3 3.67Å; F138-W140 HydrophobicContact CE1-CE3 3.67Å; F138-W140 AromaticContact CE1-CZ3 3.99Å; F138-W140 HydrophobicContact CE1-CZ3 3.99Å; F138-W140 HydrophobicContact CZ-CE3 4.3Å; F138-T151 CarbonylContact O-C 3.56Å; F138-T151 VanDerWaalsContact O-CA 3.29Å; F138-T151 WeakPolarHBondContact O-CA 3.49Å; F138-T151 PolarHBondContact O-OG1 2.97Å; F138-Y152 PolarHBondContact N-O 3.11Å; F138-Y152 PolarHBondContact O-N 2.57Å; F138-L161 HydrophobicContact CD2-CD1 4.05Å; F138-L161 HydrophobicContact CE2-CD1 3.52Å; F138-L161 HydrophobicContact CE2-CD2 4.34Å; F138-L161 HydrophobicContact CZ-CD1 4.33Å; F138-A170 HydrophobicContact CE1-CB 4.22Å; F138-A170 HydrophobicContact CZ-CB 3.96Å; F138-V172 HydrophobicContact CB-CG1 4.44Å; F138-V172 HydrophobicContact CD1-CG2 4.37Å; F138-V172 HydrophobicContact CD2-CG2 4.23Å; F138-V172 HydrophobicContact CG-CG2 4.11Å; F138-L182 HydrophobicContact CD1-CD1 3.74Å; F138-L182 HydrophobicContact CE1-CD1 4.14Å; F138-L184 HydrophobicContact CE1-CD1 4.02Å; F138-L184 HydrophobicContact CE1-CD2 3.87Å; F138-L184 HydrophobicContact CZ-CD1 3.91Å
139T97.1Very high95.6Very high2 Ų235.7 Ų35.71%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-132.4150.6-179.154.10000109.8H113 S131 N137 H141H113-T139 PolarHBondContact CE1-OG1 2.89Å; H113-T139 VanDerWaalsContact CE1-OG1 3.31Å; H113-T139 PolarHBondContact NE2-OG1 2.95Å; H113-T139 VanDerWaalsContact NE2-OG1 3.16Å; S131-T139 PolarHBondContact N-O 3.17Å; S131-T139 PolarHBondContact O-N 3.48Å; S131-T139 PolarHBondContact OG-OG1 2.77Å; N137-T139 HydrophobicContact CB-CG2 4.19Å; T139-H141 PolarHBondContact OG1-CE1 3.39Å
140W97.1Very high95.5Very high2 Ų236.2 Ų36.21%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-131.3140.416963.8106.3000110.4L129 L130 F138 L149 G150 L184 Q186 C189L129-W140 WeakPolarHBondContact O-CA 3.38Å; L130-W140 HydrophobicContact CD2-CB 3.31Å; L130-W140 HydrophobicContact CD2-CG 4.27Å; F138-W140 HydrophobicContact CD1-CE3 4.15Å; F138-W140 HydrophobicContact CD1-CZ3 4.22Å; F138-W140 AromaticContact CE1-CE3 3.67Å; F138-W140 HydrophobicContact CE1-CE3 3.67Å; F138-W140 AromaticContact CE1-CZ3 3.99Å; F138-W140 HydrophobicContact CE1-CZ3 3.99Å; F138-W140 HydrophobicContact CZ-CE3 4.3Å; W140-L149 HydrophobicContact CG-CB 4.24Å; W140-L149 WeakPolarHBondContact O-CB 3.25Å; W140-L149 PolarHBondContact O-N 3.13Å; W140-G150 VanDerWaalsContact CZ2-CA 3.45Å; W140-G150 VanDerWaalsContact CZ3-C 3.47Å; W140-G150 PolarHBondContact N-O 2.88Å; W140-G150 VanDerWaalsContact N-O 3.17Å; W140-G150 PolarHBondContact O-N 3.34Å; W140-L184 HydrophobicContact CE3-CD2 4.5Å; W140-L184 HydrophobicContact CH2-CD2 4.46Å; W140-L184 HydrophobicContact CZ3-CD2 4.29Å; W140-Q186 PolarHBondContact NE1-O 2.77Å; W140-C189 HydrophobicContact CH2-CB 3.58Å; W140-C189 HydrophobicContact CZ2-CB 4.32Å; W140-C189 HydrophobicContact CZ3-CB 4.17Å
141H96.5Very high95.4Very high4 Ų439.5 Ų39.52%0.01920%0.204CC..EExtended strand (participates in β ladder)trans-124.2152.1-175.9-60.776.3000109.7Y110 W128 L129 T139 S143 Q147 Q148Y110-H141 AromaticContact CD2-CD2 3.76Å; Y110-H141 HydrophobicContact CE2-CB 3.87Å; Y110-H141 AromaticContact CE2-CD2 3.7Å; Y110-H141 AromaticContact CE2-CG 3.58Å; Y110-H141 AromaticContact CE2-ND1 3.96Å; W128-H141 CarbonylContact C-O 3.56Å; W128-H141 WeakPolarHBondContact CA-O 3.31Å; L129-H141 PolarHBondContact N-O 2.86Å; L129-H141 PolarHBondContact O-N 2.99Å; T139-H141 PolarHBondContact OG1-CE1 3.39Å; H141-S143 PolarHBondContact O-N 2.92Å; H141-Q147 CarbonylContact C-O 3.56Å; H141-Q147 VanDerWaalsContact CA-O 3.26Å; H141-Q147 WeakPolarHBondContact CA-O 3.44Å; H141-Q148 VanDerWaalsContact CD2-CA 3.42Å; H141-Q148 WeakPolarHBondContact CD2-CA 3.36Å
142C94.8Very high95.4Very high23 Ų2341.9 Ų41.916%0.15521%0.214CC..EExtended strand (participates in β ladder)trans-71.5122165.2170.70000108.3E144 S145 G146 Q147 L149C142-E144 PolarHBondContact O-N 2.92Å; C142-S145 VanDerWaalsContact CB-OG 3.29Å; C142-S145 WeakPolarHBondContact CB-OG 3.16Å; C142-S145 PolarHBondContact SG-OG 2.88Å; C142-G146 VanDerWaalsContact O-CA 3.26Å; C142-G146 WeakPolarHBondContact O-CA 3.21Å; C142-G146 PolarHBondContact O-N 3.39Å; C142-Q147 PolarHBondContact N-O 3.33Å; C142-L149 HydrophobicContact CB-CD1 4.12Å; C142-L149 HydrophobicContact CB-CD2 4.22Å; C142-L149 HydrophobicContact CB-CG 4.16Å
143S92.7Very high95.3Very high1 Ų149.4 Ų49.41%0.00724%0.242CC..THydrogen-bonded Turntrans-65.6-24.3-177.377.80000112.8R82 E127 H141R82-S143 PolarHBondContact NH1-OG 3Å; R82-S143 PolarHBondContact NH2-O 3.41Å; E127-S143 WeakPolarHBondContact CB-OG 3.21Å; E127-S143 WeakPolarHBondContact O-CB 3.21Å; E127-S143 PolarHBondContact O-N 3.32Å; E127-S143 PolarHBondContact O-OG 3.02Å; E127-S143 PolarHBondContact OE2-OG 3.41Å; H141-S143 PolarHBondContact O-N 2.92Å
144E91.6Very high95.2Very high147 Ų14750 Ų5069%0.68725%0.246SC*.THydrogen-bonded Turntrans-87-34.8-176.1-61.8-173.5136.800112.7L108 E127 C142L108-E144 WeakPolarHBondContact CD1-O 3.43Å; E127-E144 HydrophobicContact CB-CG 4.5Å; C142-E144 PolarHBondContact O-N 2.92Å
145S92.4Very high95Very high67 Ų6750.3 Ų50.347%0.46926%0.261SS..THydrogen-bonded Turntrans-105.9-18.5-176.8640000113.5C142 Q147C142-S145 VanDerWaalsContact CB-OG 3.29Å; C142-S145 WeakPolarHBondContact CB-OG 3.16Å; C142-S145 PolarHBondContact SG-OG 2.88Å; S145-Q147 PolarHBondContact O-N 2.96Å; S145-Q147 WeakPolarHBondContact OG-CB 3.31Å; S145-Q147 PolarHBondContact OG-N 3.06Å
146G90.3Very high95Very high14 Ų1450 Ų5014%0.14426%0.261CS..  trans69.76.1-170.200000113.5C142 Q148C142-G146 VanDerWaalsContact O-CA 3.26Å; C142-G146 WeakPolarHBondContact O-CA 3.21Å; C142-G146 PolarHBondContact O-N 3.39Å; G146-Q148 PolarHBondContact O-N 3.18Å
147Q94.3Very high94.9Very high131 Ų13150.6 Ų50.661%0.61226%0.264SS*.  trans-70.1131179.7-175.9177.7-3.700110.3H141 C142 S145 L149H141-Q147 CarbonylContact C-O 3.56Å; H141-Q147 VanDerWaalsContact CA-O 3.26Å; H141-Q147 WeakPolarHBondContact CA-O 3.44Å; C142-Q147 PolarHBondContact N-O 3.33Å; S145-Q147 PolarHBondContact O-N 2.96Å; S145-Q147 WeakPolarHBondContact OG-CB 3.31Å; S145-Q147 PolarHBondContact OG-N 3.06Å; Q147-L149 PolarHBondContact O-N 2.88Å
148Q95.8Very high94.8Very high95 Ų9549 Ų4944%0.44426%0.255SS..EExtended strand (participates in β ladder)trans-66.6119.4170.8-169.3-174.7-59.500109.5H141 G146H141-Q148 VanDerWaalsContact CD2-CA 3.42Å; H141-Q148 WeakPolarHBondContact CD2-CA 3.36Å; G146-Q148 PolarHBondContact O-N 3.18Å
149L95.9Very high94.7Very high32 Ų3250 Ų5017%0.16826%0.262CS..EExtended strand (participates in β ladder)trans-86.8-39.1180-69.7178.6000111.1W128 W140 C142 Q147 Q186W128-L149 HydrophobicContact CD2-CD1 4.47Å; W128-L149 HydrophobicContact CG-CD1 4.28Å; W140-L149 HydrophobicContact CG-CB 4.24Å; W140-L149 WeakPolarHBondContact O-CB 3.25Å; W140-L149 PolarHBondContact O-N 3.13Å; C142-L149 HydrophobicContact CB-CD1 4.12Å; C142-L149 HydrophobicContact CB-CD2 4.22Å; C142-L149 HydrophobicContact CB-CG 4.16Å; Q147-L149 PolarHBondContact O-N 2.88Å; L149-Q186 WeakPolarHBondContact CB-O 3.48Å
150G95.4Very high94.5Very high10 Ų1050 Ų5010%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-168.8175.4174.500000113.9W140W140-G150 VanDerWaalsContact CZ2-CA 3.45Å; W140-G150 VanDerWaalsContact CZ3-C 3.47Å; W140-G150 PolarHBondContact N-O 2.88Å; W140-G150 VanDerWaalsContact N-O 3.17Å; W140-G150 PolarHBondContact O-N 3.34Å
151T96.1Very high94.5Very high69 Ų6950.3 Ų50.342%0.42326%0.264SS..EExtended strand (participates in β ladder)trans-147145.4-179.9-175.90000110.9F138F138-T151 CarbonylContact O-C 3.56Å; F138-T151 VanDerWaalsContact O-CA 3.29Å; F138-T151 WeakPolarHBondContact O-CA 3.49Å; F138-T151 PolarHBondContact O-OG1 2.97Å
152Y96.8Very high94.6Very high51 Ų5152.9 Ų52.920%0.228%0.276CS..EExtended strand (participates in β ladder)trans-127.6134.5169.5-176.3-96.1000109.4N137 F138 T154 T180 L182N137-Y152 WeakPolarHBondContact CA-O 3.26Å; F138-Y152 PolarHBondContact N-O 3.11Å; F138-Y152 PolarHBondContact O-N 2.57Å; Y152-T154 HydrophobicContact CD1-CG2 4.07Å; Y152-T154 HydrophobicContact CE1-CG2 4.01Å; Y152-T180 HydrophobicContact CE1-CG2 4.04Å; Y152-L182 HydrophobicContact CD1-CD1 3.63Å; Y152-L182 HydrophobicContact CD1-CD2 4.07Å; Y152-L182 HydrophobicContact CD1-CG 4.45Å; Y152-L182 HydrophobicContact CD2-CD1 4.24Å; Y152-L182 HydrophobicContact CD2-CD2 3.91Å; Y152-L182 HydrophobicContact CE1-CD1 4.26Å; Y152-L182 HydrophobicContact CE1-CD2 3.94Å; Y152-L182 HydrophobicContact CE2-CD2 3.77Å; Y152-L182 HydrophobicContact CG-CD1 3.61Å; Y152-L182 HydrophobicContact CG-CD2 4.04Å; Y152-L182 HydrophobicContact CG-CG 4.5Å
153R96.4Very high94.7Very high158 Ų15852.6 Ų52.660%0.59627%0.272SS*.EExtended strand (participates in β ladder)trans-105.5122.5-179-172.2173.3-177.1164.51110.9R136R136-R153 WeakPolarHBondContact O-CA 3.45Å
154T94.4Very high94.9Very high13 Ų1353.1 Ų53.18%0.0828%0.275CS..  trans-90.2171.8175.754.90000111.3R136 Y152 A156 V158 V172R136-T154 PolarHBondContact O-N 3Å; R136-T154 PolarHBondContact O-OG1 3.35Å; Y152-T154 HydrophobicContact CD1-CG2 4.07Å; Y152-T154 HydrophobicContact CE1-CG2 4.01Å; T154-A156 PolarHBondContact OG1-O 3.5Å; T154-V158 HydrophobicContact CG2-CG2 3.68Å; T154-V158 WeakPolarHBondContact OG1-CG2 3.4Å; T154-V172 HydrophobicContact CG2-CG1 4.27Å
155A91.7Very high95.1Very high79 Ų7948.6 Ų48.665%0.65326%0.257SS*.SBendtrans-72.1-35.1177.100000112.5
156A94.9Very high95.1Very high17 Ų1753.2 Ų53.214%0.1427%0.271CS..SBendtrans-129.8173.4-176.700000111.8T154 D174 Q175T154-A156 PolarHBondContact OG1-O 3.5Å; A156-D174 HydrophobicContact CB-CB 4.42Å; A156-Q175 HydrophobicContact CB-CB 4.06Å
157W94.7Very high95.3Very high113 Ų11354.5 Ų54.543%0.42828%0.277SS..  trans-57.5142.9178.4-60.6-16.1000110.7Q134 D174 Q175Q134-W157 HydrophobicContact CB-CD2 4.09Å; Q134-W157 HydrophobicContact CB-CE3 4.41Å; Q134-W157 HydrophobicContact CB-CG 4.14Å; Q134-W157 HydrophobicContact CG-CD2 4.29Å; Q134-W157 HydrophobicContact CG-CE3 4.17Å; Q134-W157 HydrophobicContact CG-CG 4.47Å; Q134-W157 PolarHBondContact O-NE1 3.46Å; W157-D174 CarbonylContact O-C 3.6Å; W157-D174 VanDerWaalsContact O-CA 3.29Å; W157-D174 WeakPolarHBondContact O-CA 3.35Å; W157-D174 WeakPolarHBondContact O-CB 3.43Å; W157-Q175 HydrophobicContact CB-CB 4.24Å; W157-Q175 VanDerWaalsContact CE3-OE1 3.28Å; W157-Q175 PolarHBondContact O-N 3.2Å
158V95.2Very high95.3Very high1 Ų152.1 Ų52.11%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-102.4131.9-175.8-172.80000109.1A118 T132 G133 T154 V172 G173A118-V158 WeakPolarHBondContact CB-O 3.46Å; T132-V158 VanDerWaalsContact CB-CG1 3.47Å; T132-V158 HydrophobicContact CG2-CB 4.15Å; T132-V158 HydrophobicContact CG2-CG1 3.32Å; G133-V158 PolarHBondContact O-N 2.58Å; T154-V158 HydrophobicContact CG2-CG2 3.68Å; T154-V158 WeakPolarHBondContact OG1-CG2 3.4Å; V158-V172 HydrophobicContact CB-CG1 4.36Å; V158-V172 HydrophobicContact CG1-CG1 3.2Å; V158-V172 HydrophobicContact CG2-CG1 4.21Å; V158-G173 WeakPolarHBondContact CG1-O 3.29Å
159S94Very high95.4Very high22 Ų2249.5 Ų49.515%0.15425%0.25CC..EExtended strand (participates in β ladder)trans-136.5-12.2179.950.10000115.7V119 G173 N201 V202V119-S159 WeakPolarHBondContact CG2-O 3.35Å; S159-G173 PolarHBondContact N-O 2.98Å; S159-N201 VanDerWaalsContact OG-CG 3.31Å; S159-N201 PolarHBondContact OG-ND2 3.34Å; S159-N201 VanDerWaalsContact OG-ND2 3.08Å; S159-N201 PolarHBondContact OG-OD1 2.82Å; S159-V202 PolarHBondContact OG-O 2.83Å
160G94.1Very high95.5Very high1 Ų148 Ų481%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-106.7136.8171.900000110.8V172 G173 V202G160-V172 WeakPolarHBondContact O-CA 3.42Å; G160-G173 PolarHBondContact N-O 3.17Å; G160-G173 PolarHBondContact O-N 3.03Å; G160-V202 PolarHBondContact N-O 3.19Å
161L97.5Very high95.6Very high8 Ų847.7 Ų47.74%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-144.1130.8172.8179.563.4000110.8V119 L121 L130 T132 F138 F171 V172V119-L161 HydrophobicContact CB-CB 4.02Å; V119-L161 HydrophobicContact CG1-CB 3.88Å; V119-L161 HydrophobicContact CG1-CD2 4.32Å; L121-L161 HydrophobicContact CB-CD2 3.87Å; L130-L161 HydrophobicContact CB-CD2 3.77Å; T132-L161 HydrophobicContact CG2-CB 3.93Å; T132-L161 HydrophobicContact CG2-CD1 4.24Å; T132-L161 HydrophobicContact CG2-CD2 4.19Å; T132-L161 HydrophobicContact CG2-CG 4.34Å; F138-L161 HydrophobicContact CD2-CD1 4.05Å; F138-L161 HydrophobicContact CE2-CD1 3.52Å; F138-L161 HydrophobicContact CE2-CD2 4.34Å; F138-L161 HydrophobicContact CZ-CD1 4.33Å; L161-F171 WeakPolarHBondContact CA-O 3.46Å; L161-V172 HydrophobicContact CD1-CG2 4.31Å
162Q97.6Very high95.7Very high58 Ų5844.4 Ų44.427%0.27122%0.218SC..EExtended strand (participates in β ladder)trans-140.2156.3164.1-75.4-63.5-20.800109.4A170 F171 L205 W207Q162-A170 WeakPolarHBondContact O-CA 3.11Å; Q162-F171 HydrophobicContact CB-CB 4.28Å; Q162-F171 HydrophobicContact CB-CD2 4.03Å; Q162-F171 PolarHBondContact N-O 2.83Å; Q162-F171 PolarHBondContact O-N 2.86Å; Q162-L205 HydrophobicContact CB-CB 4.31Å; Q162-L205 HydrophobicContact CG-CB 3.6Å; Q162-L205 VanDerWaalsContact CG-O 3.26Å; Q162-L205 WeakPolarHBondContact CG-O 3.36Å; Q162-L205 PolarHBondContact NE2-O 2.96Å; Q162-W207 HydrophobicContact CB-CB 4.24Å
163F97.3Very high95.7Very high17 Ų1742 Ų428%0.07521%0.208CC..EExtended strand (participates in β ladder)trans-137.2134.5179.7-174-108.3000111.4L121 V123 M126 W128 L130 V165 R168 H169 A170 L184L121-F163 HydrophobicContact CD2-CB 3.77Å; V123-F163 HydrophobicContact CB-CD1 4.43Å; V123-F163 HydrophobicContact CG1-CD1 3.93Å; V123-F163 HydrophobicContact CG1-CE1 3.85Å; V123-F163 HydrophobicContact CG2-CB 4.43Å; V123-F163 HydrophobicContact CG2-CD1 3.63Å; V123-F163 HydrophobicContact CG2-CE1 4.2Å; V123-F163 HydrophobicContact CG2-CG 4.23Å; M126-F163 HydrophobicContact SD-CE1 3.7Å; M126-F163 HydrophobicContact SD-CZ 3.62Å; W128-F163 HydrophobicContact CZ3-CZ 4.41Å; L130-F163 HydrophobicContact CD1-CB 3.6Å; L130-F163 HydrophobicContact CD1-CD1 4.23Å; L130-F163 HydrophobicContact CD1-CD2 3.65Å; L130-F163 HydrophobicContact CD1-CE2 4.38Å; L130-F163 HydrophobicContact CD1-CG 3.56Å; F163-V165 HydrophobicContact CD1-CG2 3.96Å; F163-V165 HydrophobicContact CE1-CB 4.43Å; F163-V165 HydrophobicContact CE1-CG2 4.11Å; F163-R168 HydrophobicContact CZ-CB 4.24Å; F163-R168 HydrophobicContact CZ-CG 4.48Å; F163-H169 WeakPolarHBondContact CA-O 3.11Å; F163-H169 VanDerWaalsContact CD2-O 3.26Å; F163-H169 WeakPolarHBondContact CD2-O 3.33Å; F163-A170 HydrophobicContact CD2-CB 4Å; F163-L184 HydrophobicContact CD2-CD1 4.18Å; F163-L184 HydrophobicContact CE2-CB 4.4Å; F163-L184 HydrophobicContact CE2-CD1 3.7Å; F163-L184 HydrophobicContact CE2-CG 4.12Å
164D96.6Very high95.7Very high13 Ų1334.6 Ų34.67%0.0718%0.18CC..EExtended strand (participates in β ladder)trans-98.9110.6170.2-176.50.8000109.5E166 T167 R168 H169 F171 W207D164-E166 PolarHBondContact OD1-N 3.15Å; D164-E166 VanDerWaalsContact OD1-N 3.09Å; D164-T167 WeakPolarHBondContact OD2-CB 3.37Å; D164-T167 WeakPolarHBondContact OD2-CG2 2.95Å; D164-T167 PolarHBondContact OD2-OG1 3.12Å; D164-R168 WeakPolarHBondContact O-CA 3.16Å; D164-R168 PolarHBondContact O-N 3.23Å; D164-H169 PolarHBondContact N-O 3.36Å; D164-H169 PolarHBondContact O-N 3.05Å; D164-F171 HydrophobicContact CB-CE2 4.15Å; D164-W207 PolarHBondContact OD2-NE1 3.33Å
165V95.2Very high95.8Very high52 Ų5238.2 Ų38.232%0.31520%0.196SC..THydrogen-bonded Turntrans-66.3-39.5-179.1-177.80000111.7V123 E125 F163V123-V165 HydrophobicContact CG1-CG2 3.89Å; E125-V165 HydrophobicContact CB-CG1 3.78Å; E125-V165 HydrophobicContact CG-CG1 3.87Å; F163-V165 HydrophobicContact CD1-CG2 3.96Å; F163-V165 HydrophobicContact CE1-CB 4.43Å; F163-V165 HydrophobicContact CE1-CG2 4.11Å
166E93.5Very high95.9Very high163 Ų16337 Ų3776%0.76218%0.183SC*.THydrogen-bonded Turntrans-66.5-44.9-174.1-174.4-176.5166.600110.9D164D164-E166 PolarHBondContact OD1-N 3.15Å; D164-E166 VanDerWaalsContact OD1-N 3.09Å
167T93.3Very high96Very high42 Ų4236.2 Ų36.226%0.25818%0.177SC..THydrogen-bonded Turntrans-99.2-6.7-175.1700000113.5D164 H169D164-T167 WeakPolarHBondContact OD2-CB 3.37Å; D164-T167 WeakPolarHBondContact OD2-CG2 2.95Å; D164-T167 PolarHBondContact OD2-OG1 3.12Å; T167-H169 VanDerWaalsContact C-N 3.31Å; T167-H169 WeakPolarHBondContact CB-ND1 3.21Å; T167-H169 PolarHBondContact O-CE1 2.78Å; T167-H169 PolarHBondContact O-N 3.33Å; T167-H169 PolarHBondContact O-ND1 2.72Å; T167-H169 VanDerWaalsContact O-ND1 3.12Å; T167-H169 PolarHBondContact OG1-ND1 3.08Å
168R96Very high96Very high80 Ų8033 Ų3330%0.30217%0.166SC..THydrogen-bonded Turntrans56.840.7-175.2-58.5-175.4-70152.79.6113.2M126 F163 D164 L184 E185M126-R168 HydrophobicContact CE-CG 3.86Å; M126-R168 HydrophobicContact SD-CG 4.24Å; F163-R168 HydrophobicContact CZ-CB 4.24Å; F163-R168 HydrophobicContact CZ-CG 4.48Å; D164-R168 WeakPolarHBondContact O-CA 3.16Å; D164-R168 PolarHBondContact O-N 3.23Å; R168-L184 PolarHBondContact O-N 2.87Å; R168-E185 IonicContact CZ-OE1 2.86Å; R168-E185 IonicContact CZ-OE2 2.93Å; R168-E185 IonicContact NH1-OE2 4Å; R168-E185 PolarHBondContact NH1-OE2 2.92Å; R168-E185 VanDerWaalsContact NH2-CD 3.32Å; R168-E185 IonicContact NH2-OE1 3.73Å; R168-E185 PolarHBondContact NH2-OE1 2.91Å; R168-E185 VanDerWaalsContact NH2-OE1 3.08Å; R168-E185 IonicContact NH2-OE2 3.8Å; R168-E185 PolarHBondContact NH2-OE2 3.06Å
169H96.6Very high96.1Very high41 Ų4132.9 Ų32.919%0.1917%0.166CC..EExtended strand (participates in β ladder)trans-101130.6174.6-68.987.8000111.2F163 D164 T167 F171 I181 L182F163-H169 WeakPolarHBondContact CA-O 3.11Å; F163-H169 VanDerWaalsContact CD2-O 3.26Å; F163-H169 WeakPolarHBondContact CD2-O 3.33Å; D164-H169 PolarHBondContact N-O 3.36Å; D164-H169 PolarHBondContact O-N 3.05Å; T167-H169 VanDerWaalsContact C-N 3.31Å; T167-H169 WeakPolarHBondContact CB-ND1 3.21Å; T167-H169 PolarHBondContact O-CE1 2.78Å; T167-H169 PolarHBondContact O-N 3.33Å; T167-H169 PolarHBondContact O-ND1 2.72Å; T167-H169 VanDerWaalsContact O-ND1 3.12Å; T167-H169 PolarHBondContact OG1-ND1 3.08Å; H169-F171 HydrophobicContact CB-CZ 4.31Å; H169-I181 HydrophobicContact CB-CG2 4.39Å; H169-L182 CarbonylContact C-O 3.53Å; H169-L182 VanDerWaalsContact CA-O 3.22Å; H169-L182 WeakPolarHBondContact CA-O 2.94Å
170A97.6Very high96.2Very high0 Ų032.1 Ų32.10%016%0.16CC..EExtended strand (participates in β ladder)trans-98.9134.6167.600000110F138 Q162 F163 V172 I181 L182 L184F138-A170 HydrophobicContact CE1-CB 4.22Å; F138-A170 HydrophobicContact CZ-CB 3.96Å; Q162-A170 WeakPolarHBondContact O-CA 3.11Å; F163-A170 HydrophobicContact CD2-CB 4Å; A170-V172 HydrophobicContact CB-CG2 4.39Å; A170-I181 WeakPolarHBondContact O-CA 2.94Å; A170-L182 HydrophobicContact CB-CB 4.45Å; A170-L182 PolarHBondContact N-O 3Å; A170-L182 PolarHBondContact O-N 3.49Å; A170-L184 HydrophobicContact CB-CD1 3.94Å; A170-L184 HydrophobicContact CB-CD2 4.32Å; A170-L184 HydrophobicContact CB-CG 4.09Å
171F97.7Very high96.3Very high4 Ų432.3 Ų32.32%0.01816%0.161CC..EExtended strand (participates in β ladder)trans-106.2120.9173-51.2-81.9000108.3L161 Q162 D164 H169 I181 L205 W207 L214 I228L161-F171 WeakPolarHBondContact CA-O 3.46Å; Q162-F171 HydrophobicContact CB-CB 4.28Å; Q162-F171 HydrophobicContact CB-CD2 4.03Å; Q162-F171 PolarHBondContact N-O 2.83Å; Q162-F171 PolarHBondContact O-N 2.86Å; D164-F171 HydrophobicContact CB-CE2 4.15Å; H169-F171 HydrophobicContact CB-CZ 4.31Å; F171-I181 HydrophobicContact CD1-CD1 4.1Å; F171-I181 HydrophobicContact CD1-CG1 3.92Å; F171-I181 HydrophobicContact CD1-CG2 4.24Å; F171-I181 HydrophobicContact CE1-CD1 3.99Å; F171-I181 HydrophobicContact CE1-CG1 4.24Å; F171-I181 HydrophobicContact CE1-CG2 4.09Å; F171-L205 HydrophobicContact CB-CD1 4.01Å; F171-L205 VanDerWaalsContact O-CD1 3.31Å; F171-L205 WeakPolarHBondContact O-CD1 3.1Å; F171-W207 HydrophobicContact CD2-CB 4.34Å; F171-W207 HydrophobicContact CD2-CD2 4.43Å; F171-W207 HydrophobicContact CD2-CG 4.31Å; F171-W207 HydrophobicContact CE1-CE3 4.26Å; F171-W207 HydrophobicContact CE1-CZ3 4.25Å; F171-W207 HydrophobicContact CE2-CB 4.16Å; F171-W207 AromaticContact CE2-CD2 3.5Å; F171-W207 HydrophobicContact CE2-CD2 3.5Å; F171-W207 AromaticContact CE2-CE2 3.83Å; F171-W207 AromaticContact CE2-CE3 3.87Å; F171-W207 HydrophobicContact CE2-CE3 3.87Å; F171-W207 AromaticContact CE2-CG 3.65Å; F171-W207 HydrophobicContact CE2-CG 3.65Å; F171-W207 HydrophobicContact CE2-CZ2 4.41Å; F171-W207 HydrophobicContact CE2-CZ3 4.47Å; F171-W207 AromaticContact CZ-CD2 3.64Å; F171-W207 HydrophobicContact CZ-CD2 3.64Å; F171-W207 AromaticContact CZ-CE2 3.79Å; F171-W207 AromaticContact CZ-CE3 3.63Å; F171-W207 HydrophobicContact CZ-CE3 3.63Å; F171-W207 HydrophobicContact CZ-CG 4.29Å; F171-W207 AromaticContact CZ-CH2 3.9Å; F171-W207 HydrophobicContact CZ-CH2 3.9Å; F171-W207 AromaticContact CZ-CZ2 3.92Å; F171-W207 HydrophobicContact CZ-CZ2 3.92Å; F171-W207 AromaticContact CZ-CZ3 3.79Å; F171-W207 HydrophobicContact CZ-CZ3 3.79Å; F171-L214 HydrophobicContact CB-CD1 4.03Å; F171-L214 HydrophobicContact CB-CD2 4.07Å; F171-L214 HydrophobicContact CD1-CD1 4.14Å; F171-L214 HydrophobicContact CD1-CD2 3.67Å; F171-L214 HydrophobicContact CD1-CG 4.44Å; F171-L214 HydrophobicContact CD2-CD1 4.15Å; F171-L214 HydrophobicContact CE1-CD2 4.4Å; F171-L214 HydrophobicContact CG-CD1 3.84Å; F171-L214 HydrophobicContact CG-CD2 4.03Å; F171-I228 HydrophobicContact CD1-CD1 4.47Å; F171-I228 HydrophobicContact CE1-CD1 3.77Å; F171-I228 HydrophobicContact CZ-CD1 4.48Å
172V97.8Very high96.3Very high0 Ų032 Ų320%016%0.159CC..EExtended strand (participates in β ladder)trans-125.3113.3-169.1-178.50000109.5F138 T154 V158 G160 L161 A170 V179 T180 L182F138-V172 HydrophobicContact CB-CG1 4.44Å; F138-V172 HydrophobicContact CD1-CG2 4.37Å; F138-V172 HydrophobicContact CD2-CG2 4.23Å; F138-V172 HydrophobicContact CG-CG2 4.11Å; T154-V172 HydrophobicContact CG2-CG1 4.27Å; V158-V172 HydrophobicContact CB-CG1 4.36Å; V158-V172 HydrophobicContact CG1-CG1 3.2Å; V158-V172 HydrophobicContact CG2-CG1 4.21Å; G160-V172 WeakPolarHBondContact O-CA 3.42Å; L161-V172 HydrophobicContact CD1-CG2 4.31Å; A170-V172 HydrophobicContact CB-CG2 4.39Å; V172-V179 CarbonylContact O-C 3.49Å; V172-V179 WeakPolarHBondContact O-CA 3.23Å; V172-T180 PolarHBondContact N-O 2.86Å; V172-T180 PolarHBondContact O-N 2.86Å; V172-L182 HydrophobicContact CG2-CD1 4.15Å
173G97.3Very high96.3Very high0 Ų032.8 Ų32.80%016%0.162CC..EExtended strand (participates in β ladder)trans-97.6130.6-179.500000111.5V158 S159 G160 Q178V158-G173 WeakPolarHBondContact CG1-O 3.29Å; S159-G173 PolarHBondContact N-O 2.98Å; G160-G173 PolarHBondContact N-O 3.17Å; G160-G173 PolarHBondContact O-N 3.03Å; G173-Q178 WeakPolarHBondContact CA-O 3.22Å
174D96.3Very high96.3Very high3 Ų332 Ų322%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-114.5167.3-178.780.425.6000114.7A156 W157 S176 G177 Q178 N201 V202A156-D174 HydrophobicContact CB-CB 4.42Å; W157-D174 CarbonylContact O-C 3.6Å; W157-D174 VanDerWaalsContact O-CA 3.29Å; W157-D174 WeakPolarHBondContact O-CA 3.35Å; W157-D174 WeakPolarHBondContact O-CB 3.43Å; D174-S176 VanDerWaalsContact CG-OG 3.32Å; D174-S176 PolarHBondContact O-N 3.43Å; D174-S176 WeakPolarHBondContact OD1-CA 3.34Å; D174-S176 WeakPolarHBondContact OD1-CB 3.27Å; D174-S176 PolarHBondContact OD1-N 3.12Å; D174-S176 PolarHBondContact OD1-OG 3.23Å; D174-S176 PolarHBondContact OD2-OG 3.12Å; D174-G177 PolarHBondContact O-N 2.95Å; D174-G177 VanDerWaalsContact O-N 3.12Å; D174-G177 PolarHBondContact OD1-N 2.55Å; D174-Q178 PolarHBondContact N-O 2.81Å; D174-Q178 PolarHBondContact OD1-N 2.88Å; D174-Q178 VanDerWaalsContact OD1-N 3.15Å; D174-N201 PolarHBondContact O-OD1 2.67Å; D174-V202 PolarHBondContact O-N 3.32Å
175Q96.4Very high96.1Very high89 Ų8934.2 Ų34.242%0.41617%0.168SC..THydrogen-bonded Turntrans-63.6-19.4-179.1-165.6-173.912.100114.2A156 W157 G177 N201A156-Q175 HydrophobicContact CB-CB 4.06Å; W157-Q175 HydrophobicContact CB-CB 4.24Å; W157-Q175 VanDerWaalsContact CE3-OE1 3.28Å; W157-Q175 PolarHBondContact O-N 3.2Å; Q175-G177 VanDerWaalsContact C-N 3.27Å; Q175-N201 WeakPolarHBondContact CA-OD1 3.37Å; Q175-N201 HydrophobicContact CB-CB 4.49Å; Q175-N201 HydrophobicContact CG-CB 4.1Å; Q175-N201 PolarHBondContact N-OD1 3.43Å
176S95.4Very high95.8Very high53 Ų5337 Ų3737%0.37118%0.178SC..THydrogen-bonded Turntrans-84.8-0.3177.773.70000113.5D174 Q178D174-S176 VanDerWaalsContact CG-OG 3.32Å; D174-S176 PolarHBondContact O-N 3.43Å; D174-S176 WeakPolarHBondContact OD1-CA 3.34Å; D174-S176 WeakPolarHBondContact OD1-CB 3.27Å; D174-S176 PolarHBondContact OD1-N 3.12Å; D174-S176 PolarHBondContact OD1-OG 3.23Å; D174-S176 PolarHBondContact OD2-OG 3.12Å; S176-Q178 WeakPolarHBondContact OG-CG 3.34Å; S176-Q178 PolarHBondContact OG-NE2 2.86Å
177G95Very high95.6Very high1 Ų135 Ų351%0.0117%0.173CC..SBendtrans8814.4-178.300000114D174 Q175 G200D174-G177 PolarHBondContact O-N 2.95Å; D174-G177 VanDerWaalsContact O-N 3.12Å; D174-G177 PolarHBondContact OD1-N 2.55Å; Q175-G177 VanDerWaalsContact C-N 3.27Å; G177-G200 WeakPolarHBondContact CA-O 3.29Å; G177-G200 PolarHBondContact N-O 3.31Å
178Q95.3Very high95.6Very high44 Ų4435.8 Ų35.821%0.20618%0.179CC..EExtended strand (participates in β ladder)trans-97.6141.9179.6-60.7-177.368.600110.8G173 D174 S176 T194 F195 K196G173-Q178 WeakPolarHBondContact CA-O 3.22Å; D174-Q178 PolarHBondContact N-O 2.81Å; D174-Q178 PolarHBondContact OD1-N 2.88Å; D174-Q178 VanDerWaalsContact OD1-N 3.15Å; S176-Q178 WeakPolarHBondContact OG-CG 3.34Å; S176-Q178 PolarHBondContact OG-NE2 2.86Å; Q178-T194 HydrophobicContact CB-CG2 3.89Å; Q178-T194 HydrophobicContact CG-CG2 4.36Å; Q178-F195 WeakPolarHBondContact CA-O 3.2Å; Q178-K196 HydrophobicContact CG-CG 4.16Å; Q178-K196 VanDerWaalsContact OE1-CE 3.23Å
179V97Very high95.6Very high0 Ų033.8 Ų33.80%018%0.177CC..EExtended strand (participates in β ladder)trans-112.4114.1169.2-176.10000108.2V172 T194 F195 V202 L205 L214V172-V179 CarbonylContact O-C 3.49Å; V172-V179 WeakPolarHBondContact O-CA 3.23Å; V179-T194 CarbonylContact O-C 3.58Å; V179-T194 WeakPolarHBondContact O-CA 3.42Å; V179-F195 HydrophobicContact CB-CB 4.34Å; V179-F195 PolarHBondContact N-O 2.93Å; V179-F195 PolarHBondContact O-N 3.44Å; V179-V202 HydrophobicContact CG2-CG1 4.16Å; V179-V202 HydrophobicContact CG2-CG2 4.01Å; V179-L205 HydrophobicContact CG1-CD1 4.46Å; V179-L205 HydrophobicContact CG1-CD2 4.16Å; V179-L205 HydrophobicContact CG2-CD2 4.14Å; V179-L214 HydrophobicContact CG1-CD2 3.66Å
180T96.6Very high95.5Very high5 Ų534.7 Ų34.73%0.03119%0.188CC..EExtended strand (participates in β ladder)trans-98.2130.3-179.8-59.70000109.9Y152 V172 L182 L191Y152-T180 HydrophobicContact CE1-CG2 4.04Å; V172-T180 PolarHBondContact N-O 2.86Å; V172-T180 PolarHBondContact O-N 2.86Å; T180-L182 HydrophobicContact CG2-CD2 3.7Å; T180-L182 HydrophobicContact CG2-CG 4.07Å; T180-L191 HydrophobicContact CG2-CD1 3.42Å; T180-L191 VanDerWaalsContact CG2-CD1 3.42Å
181I96.7Very high95.5Very high6 Ų639 Ų393%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-103121.2175.2-51.2-172.4000108.5H169 A170 F171 V192 T193 F195 I228H169-I181 HydrophobicContact CB-CG2 4.39Å; A170-I181 WeakPolarHBondContact O-CA 2.94Å; F171-I181 HydrophobicContact CD1-CD1 4.1Å; F171-I181 HydrophobicContact CD1-CG1 3.92Å; F171-I181 HydrophobicContact CD1-CG2 4.24Å; F171-I181 HydrophobicContact CE1-CD1 3.99Å; F171-I181 HydrophobicContact CE1-CG1 4.24Å; F171-I181 HydrophobicContact CE1-CG2 4.09Å; I181-V192 HydrophobicContact CB-CB 4.3Å; I181-V192 HydrophobicContact CG2-CB 4.13Å; I181-V192 HydrophobicContact CG2-CG2 4.47Å; I181-V192 WeakPolarHBondContact O-CB 3.47Å; I181-V192 PolarHBondContact O-N 2.85Å; I181-T193 HydrophobicContact CB-CG2 4.22Å; I181-T193 HydrophobicContact CD1-CG2 3.86Å; I181-T193 HydrophobicContact CG1-CG2 4.12Å; I181-T193 PolarHBondContact N-O 3.34Å; I181-T193 PolarHBondContact O-N 2.89Å; I181-F195 HydrophobicContact CD1-CD2 4.24Å; I181-F195 HydrophobicContact CD1-CE2 3.51Å; I181-F195 HydrophobicContact CD1-CZ 3.68Å; I181-F195 HydrophobicContact CG1-CE2 4.41Å; I181-I228 HydrophobicContact CD1-CD1 4.03Å; I181-I228 HydrophobicContact CD1-CG1 4.36Å
182L97.2Very high95.3Very high0 Ų042.5 Ų42.50%023%0.233CC..EExtended strand (participates in β ladder)trans-117.1137.7179.4-56.7175.6000108.9F138 Y152 H169 A170 V172 T180 L184 L191F138-L182 HydrophobicContact CD1-CD1 3.74Å; F138-L182 HydrophobicContact CE1-CD1 4.14Å; Y152-L182 HydrophobicContact CD1-CD1 3.63Å; Y152-L182 HydrophobicContact CD1-CD2 4.07Å; Y152-L182 HydrophobicContact CD1-CG 4.45Å; Y152-L182 HydrophobicContact CD2-CD1 4.24Å; Y152-L182 HydrophobicContact CD2-CD2 3.91Å; Y152-L182 HydrophobicContact CE1-CD1 4.26Å; Y152-L182 HydrophobicContact CE1-CD2 3.94Å; Y152-L182 HydrophobicContact CE2-CD2 3.77Å; Y152-L182 HydrophobicContact CG-CD1 3.61Å; Y152-L182 HydrophobicContact CG-CD2 4.04Å; Y152-L182 HydrophobicContact CG-CG 4.5Å; H169-L182 CarbonylContact C-O 3.53Å; H169-L182 VanDerWaalsContact CA-O 3.22Å; H169-L182 WeakPolarHBondContact CA-O 2.94Å; A170-L182 HydrophobicContact CB-CB 4.45Å; A170-L182 PolarHBondContact N-O 3Å; A170-L182 PolarHBondContact O-N 3.49Å; V172-L182 HydrophobicContact CG2-CD1 4.15Å; T180-L182 HydrophobicContact CG2-CD2 3.7Å; T180-L182 HydrophobicContact CG2-CG 4.07Å; L182-L184 HydrophobicContact CB-CD2 4.03Å; L182-L191 HydrophobicContact CD2-CB 4.33Å; L182-L191 HydrophobicContact CD2-CD1 3.99Å
183K97Very high95.1Very high76 Ų7645.4 Ų45.433%0.3325%0.25SS..EExtended strand (participates in β ladder)trans-93.5126.8164-177.2179.4176.4-172.90108.3E185 C189 S190 V192K183-E185 WeakPolarHBondContact CE-OE1 3.38Å; K183-E185 IonicContact NZ-OE1 2.86Å; K183-C189 VanDerWaalsContact O-CA 3.28Å; K183-C189 WeakPolarHBondContact O-CA 3.4Å; K183-S190 PolarHBondContact N-O 2.84Å; K183-S190 PolarHBondContact O-N 3.32Å; K183-V192 HydrophobicContact CB-CG2 3.88Å
184L96.9Very high95Very high0 Ų047.4 Ų47.40%026%0.262CS..EExtended strand (participates in β ladder)trans-100.3136.9-177.7-54.1-168.6000111.2W128 L130 F138 W140 F163 R168 A170 L182 C189W128-L184 HydrophobicContact CE3-CD1 4.47Å; W128-L184 HydrophobicContact CH2-CB 4.26Å; W128-L184 HydrophobicContact CZ3-CB 3.74Å; W128-L184 HydrophobicContact CZ3-CD1 4.08Å; L130-L184 HydrophobicContact CD2-CD1 4.15Å; F138-L184 HydrophobicContact CE1-CD1 4.02Å; F138-L184 HydrophobicContact CE1-CD2 3.87Å; F138-L184 HydrophobicContact CZ-CD1 3.91Å; W140-L184 HydrophobicContact CE3-CD2 4.5Å; W140-L184 HydrophobicContact CH2-CD2 4.46Å; W140-L184 HydrophobicContact CZ3-CD2 4.29Å; F163-L184 HydrophobicContact CD2-CD1 4.18Å; F163-L184 HydrophobicContact CE2-CB 4.4Å; F163-L184 HydrophobicContact CE2-CD1 3.7Å; F163-L184 HydrophobicContact CE2-CG 4.12Å; R168-L184 PolarHBondContact O-N 2.87Å; A170-L184 HydrophobicContact CB-CD1 3.94Å; A170-L184 HydrophobicContact CB-CD2 4.32Å; A170-L184 HydrophobicContact CB-CG 4.09Å; L182-L184 HydrophobicContact CB-CD2 4.03Å; L184-C189 HydrophobicContact CD2-CB 3.63Å
185E93.3Very high94.9Very high60 Ų6049.1 Ų49.128%0.2827%0.27SS..  trans-120.1177.6167.2-59.5-66.2167.200108.1W128 R168 K183 D187 S188W128-E185 WeakPolarHBondContact CH2-O 3.4Å; R168-E185 IonicContact CZ-OE1 2.86Å; R168-E185 IonicContact CZ-OE2 2.93Å; R168-E185 IonicContact NH1-OE2 4Å; R168-E185 PolarHBondContact NH1-OE2 2.92Å; R168-E185 VanDerWaalsContact NH2-CD 3.32Å; R168-E185 IonicContact NH2-OE1 3.73Å; R168-E185 PolarHBondContact NH2-OE1 2.91Å; R168-E185 VanDerWaalsContact NH2-OE1 3.08Å; R168-E185 IonicContact NH2-OE2 3.8Å; R168-E185 PolarHBondContact NH2-OE2 3.06Å; K183-E185 WeakPolarHBondContact CE-OE1 3.38Å; K183-E185 IonicContact NZ-OE1 2.86Å; E185-D187 VanDerWaalsContact C-N 3.32Å; E185-D187 PolarHBondContact O-N 2.82Å; E185-S188 CarbonylContact C-O 3.56Å; E185-S188 WeakPolarHBondContact CA-O 3.31Å; E185-S188 PolarHBondContact N-O 2.91Å
186Q88.4Confident94.6Very high109 Ų10952.4 Ų52.451%0.50928%0.283SS..SBendtrans-56.8-43.2-171.8-170.868.423.900113.4W140 L149W140-Q186 PolarHBondContact NE1-O 2.77Å; L149-Q186 WeakPolarHBondContact CB-O 3.48Å
187D89.8Confident94.2Very high123 Ų12352 Ų5266%0.65829%0.286SS*.SBendtrans-126.24.2-172.363.2-9.2000113.2E185E185-D187 VanDerWaalsContact C-N 3.32Å; E185-D187 PolarHBondContact O-N 2.82Å
188S92.7Very high94.3Very high57 Ų5752.5 Ų52.540%0.39929%0.288SS..  trans-149.3161.4-171.652.30000111.3E185E185-S188 CarbonylContact C-O 3.56Å; E185-S188 WeakPolarHBondContact CA-O 3.31Å; E185-S188 PolarHBondContact N-O 2.91Å
189C95.6Very high94.3Very high39 Ų3956.6 Ų56.626%0.26432%0.317SS..EExtended strand (participates in β ladder)trans-137.6153.5171.266.60000109.8W140 K183 L184W140-C189 HydrophobicContact CH2-CB 3.58Å; W140-C189 HydrophobicContact CZ2-CB 4.32Å; W140-C189 HydrophobicContact CZ3-CB 4.17Å; K183-C189 VanDerWaalsContact O-CA 3.28Å; K183-C189 WeakPolarHBondContact O-CA 3.4Å; L184-C189 HydrophobicContact CD2-CB 3.63Å
190S96.1Very high94.2Very high60 Ų6057.1 Ų57.142%0.4232%0.322SS..EExtended strand (participates in β ladder)trans-122.3132.2171.961.80000110.2K183 V192K183-S190 PolarHBondContact N-O 2.84Å; K183-S190 PolarHBondContact O-N 3.32Å; S190-V192 PolarHBondContact O-N 3.44Å
191L96.4Very high94.2Very high90 Ų9058.6 Ų58.647%0.47133%0.33SS..EExtended strand (participates in β ladder)trans-65.2121.4169.9175.863.7000109.6T180 L182T180-L191 HydrophobicContact CG2-CD1 3.42Å; T180-L191 VanDerWaalsContact CG2-CD1 3.42Å; L182-L191 HydrophobicContact CD2-CB 4.33Å; L182-L191 HydrophobicContact CD2-CD1 3.99Å
192V94.6Very high94.2Very high78 Ų7858.3 Ų58.347%0.47333%0.329SS..EExtended strand (participates in β ladder)trans-88.3-56.7174.8179.40000109.7I181 K183 S190I181-V192 HydrophobicContact CB-CB 4.3Å; I181-V192 HydrophobicContact CG2-CB 4.13Å; I181-V192 HydrophobicContact CG2-CG2 4.47Å; I181-V192 WeakPolarHBondContact O-CB 3.47Å; I181-V192 PolarHBondContact O-N 2.85Å; K183-V192 HydrophobicContact CB-CG2 3.88Å; S190-V192 PolarHBondContact O-N 3.44Å
193T94.2Very high94.2Very high60 Ų6059.7 Ų59.737%0.36834%0.337SS..EExtended strand (participates in β ladder)trans-164.3170.3178.2-168.20000110.9I181 F195I181-T193 HydrophobicContact CB-CG2 4.22Å; I181-T193 HydrophobicContact CD1-CG2 3.86Å; I181-T193 HydrophobicContact CG1-CG2 4.12Å; I181-T193 PolarHBondContact N-O 3.34Å; I181-T193 PolarHBondContact O-N 2.89Å; T193-F195 HydrophobicContact CG2-CD1 4.29Å; T193-F195 HydrophobicContact CG2-CE1 3.74Å; T193-F195 HydrophobicContact CG2-CZ 4.1Å
194T94Very high94.2Very high42 Ų4256.6 Ų56.626%0.25833%0.325SS..EExtended strand (participates in β ladder)trans-131.6125173.3-57.20000109.6Q178 V179Q178-T194 HydrophobicContact CB-CG2 3.89Å; Q178-T194 HydrophobicContact CG-CG2 4.36Å; V179-T194 CarbonylContact O-C 3.58Å; V179-T194 WeakPolarHBondContact O-CA 3.42Å
195F93.4Very high94.2Very high40 Ų4057 Ų5718%0.17533%0.327CS..EExtended strand (participates in β ladder)trans-89.8135.2172.7-59.6-31.9000110.9Q178 V179 I181 T193 W226 I228Q178-F195 WeakPolarHBondContact CA-O 3.2Å; V179-F195 HydrophobicContact CB-CB 4.34Å; V179-F195 PolarHBondContact N-O 2.93Å; V179-F195 PolarHBondContact O-N 3.44Å; I181-F195 HydrophobicContact CD1-CD2 4.24Å; I181-F195 HydrophobicContact CD1-CE2 3.51Å; I181-F195 HydrophobicContact CD1-CZ 3.68Å; I181-F195 HydrophobicContact CG1-CE2 4.41Å; T193-F195 HydrophobicContact CG2-CD1 4.29Å; T193-F195 HydrophobicContact CG2-CE1 3.74Å; T193-F195 HydrophobicContact CG2-CZ 4.1Å; F195-W226 HydrophobicContact CB-CD2 4.19Å; F195-W226 HydrophobicContact CB-CE3 3.9Å; F195-W226 HydrophobicContact CB-CH2 3.78Å; F195-W226 HydrophobicContact CB-CZ2 4.06Å; F195-W226 HydrophobicContact CB-CZ3 3.69Å; F195-W226 HydrophobicContact CD1-CE3 4.41Å; F195-W226 HydrophobicContact CD2-CB 4.2Å; F195-W226 AromaticContact CD2-CD2 3.69Å; F195-W226 HydrophobicContact CD2-CD2 3.69Å; F195-W226 AromaticContact CD2-CE3 3.76Å; F195-W226 HydrophobicContact CD2-CE3 3.76Å; F195-W226 AromaticContact CD2-CG 3.9Å; F195-W226 HydrophobicContact CD2-CG 3.9Å; F195-W226 HydrophobicContact CD2-CZ3 4.43Å; F195-W226 HydrophobicContact CE2-CB 3.97Å; F195-W226 HydrophobicContact CE2-CD2 4.32Å; F195-W226 HydrophobicContact CE2-CE3 4.36Å; F195-W226 HydrophobicContact CE2-CG 4.19Å; F195-W226 HydrophobicContact CG-CD2 4.13Å; F195-W226 AromaticContact CG-CE3 3.79Å; F195-W226 HydrophobicContact CG-CE3 3.79Å; F195-W226 HydrophobicContact CG-CZ3 4.04Å; F195-I228 HydrophobicContact CE2-CD1 4.07Å; F195-I228 HydrophobicContact CE2-CG1 3.84Å; F195-I228 HydrophobicContact CZ-CG1 3.96Å
196K91.8Very high94.4Very high158 Ų15854.7 Ų54.769%0.68732%0.318SS*.EExtended strand (participates in β ladder)trans-122.1120.9176.4-58.3-171.9176.5178.30107.7Q178Q178-K196 HydrophobicContact CG-CG 4.16Å; Q178-K196 VanDerWaalsContact OE1-CE 3.23Å
197G87.3Confident94.7Very high43 Ų4350.9 Ų50.944%0.44330%0.299SS..  trans-161.8-37.317900000112.8
198H95.4Very high94.9Very high12 Ų1245.5 Ų45.56%0.05627%0.27CS..  trans-75.3147.2175.5-72.4-62.6000112.1V202 S216 S218 D220 S222H198-V202 HydrophobicContact CB-CG2 4.47Å; H198-S216 PolarHBondContact CD2-OG 2.86Å; H198-S216 PolarHBondContact NE2-O 3.48Å; H198-S216 VanDerWaalsContact NE2-O 3.14Å; H198-S216 PolarHBondContact NE2-OG 2.86Å; H198-S218 VanDerWaalsContact CE1-CB 3.41Å; H198-S218 WeakPolarHBondContact CE1-CB 3.4Å; H198-S218 VanDerWaalsContact CG-CB 3.42Å; H198-S218 WeakPolarHBondContact ND1-CB 3.4Å; H198-D220 WeakPolarHBondContact CA-OD2 3.47Å; H198-D220 VanDerWaalsContact CB-OD2 3.23Å; H198-D220 WeakPolarHBondContact CB-OD2 3.48Å; H198-D220 IonicContact CE1-OD1 3.48Å; H198-D220 IonicContact CG-OD2 3.6Å; H198-D220 IonicContact ND1-OD1 2.68Å; H198-D220 PolarHBondContact ND1-OD1 2.84Å; H198-D220 IonicContact ND1-OD2 2.95Å; H198-D220 PolarHBondContact ND1-OD2 2.76Å; H198-S222 PolarHBondContact CE1-O 3.01Å; H198-S222 PolarHBondContact CE1-OG 2.82Å; H198-S222 PolarHBondContact ND1-OG 2.92Å
199T95.3Very high94.8Very high130 Ų13045.8 Ų45.880%0.79827%0.271SS*.SBendtrans-99.7-4.1174.261.30000112.7D220T199-D220 PolarHBondContact N-OD2 3.48Å; T199-D220 VanDerWaalsContact OG1-CB 3.28Å; T199-D220 WeakPolarHBondContact OG1-CB 3.29Å
200G95.6Very high94.5Very high11 Ų1147.7 Ų47.711%0.11329%0.289CS..SBendtrans-132.2-178.2-179.500000112G177 V202 S218 S219G177-G200 WeakPolarHBondContact CA-O 3.29Å; G177-G200 PolarHBondContact N-O 3.31Å; G200-V202 PolarHBondContact O-N 3.19Å; G200-S218 PolarHBondContact O-OG 3.32Å; G200-S219 WeakPolarHBondContact CA-OG 3.15Å
201N96.3Very high94.1Very high37 Ų3749.8 Ų49.820%0.19829%0.292CS..  trans-61.5130.5-179-178.117.3000111.7S159 D174 Q175 T203 S218 S219S159-N201 VanDerWaalsContact OG-CG 3.31Å; S159-N201 PolarHBondContact OG-ND2 3.34Å; S159-N201 VanDerWaalsContact OG-ND2 3.08Å; S159-N201 PolarHBondContact OG-OD1 2.82Å; D174-N201 PolarHBondContact O-OD1 2.67Å; Q175-N201 WeakPolarHBondContact CA-OD1 3.37Å; Q175-N201 HydrophobicContact CB-CB 4.49Å; Q175-N201 HydrophobicContact CG-CB 4.1Å; Q175-N201 PolarHBondContact N-OD1 3.43Å; N201-T203 HydrophobicContact CB-CG2 4.47Å; N201-T203 PolarHBondContact O-N 3.39Å; N201-S218 CarbonylContact O-C 3.54Å; N201-S218 WeakPolarHBondContact O-CA 3.38Å; N201-S218 PolarHBondContact O-OG 2.96Å; N201-S219 PolarHBondContact N-OG 3.3Å; N201-S219 PolarHBondContact O-N 3.08Å
202V97.8Very high93.8Very high0 Ų051.6 Ų51.60%029%0.293CS..EExtended strand (participates in β ladder)trans-76101.3168.7-1730000109.3S159 G160 D174 V179 H198 G200 L205S159-V202 PolarHBondContact OG-O 2.83Å; G160-V202 PolarHBondContact N-O 3.19Å; D174-V202 PolarHBondContact O-N 3.32Å; V179-V202 HydrophobicContact CG2-CG1 4.16Å; V179-V202 HydrophobicContact CG2-CG2 4.01Å; H198-V202 HydrophobicContact CB-CG2 4.47Å; G200-V202 PolarHBondContact O-N 3.19Å; V202-L205 HydrophobicContact CG1-CD2 3.82Å; V202-L205 HydrophobicContact CG1-CG 4.17Å
203T96.4Very high93.8Very high29 Ų2948.6 Ų48.618%0.17828%0.275CS..EExtended strand (participates in β ladder)trans-89.9-27.4-173.545.20000113N201 G217 V245N201-T203 HydrophobicContact CB-CG2 4.47Å; N201-T203 PolarHBondContact O-N 3.39Å; T203-G217 PolarHBondContact N-O 3.2Å; T203-G217 PolarHBondContact OG1-O 3.37Å; T203-V245 WeakPolarHBondContact CB-O 3.34Å; T203-V245 PolarHBondContact OG1-O 2.82Å
204A96.2Very high93.9Very high10 Ų1045.8 Ų45.88%0.08326%0.257CS..EExtended strand (participates in β ladder)trans-142.1142.9-177.400000111.1S216 G217 L248A204-S216 WeakPolarHBondContact O-CA 3.48Å; A204-G217 PolarHBondContact N-O 3.44Å; A204-G217 PolarHBondContact O-N 3.35Å; A204-L248 HydrophobicContact CB-CB 4.3Å; A204-L248 HydrophobicContact CB-CD1 4.27Å; A204-L248 HydrophobicContact CB-CG 3.96Å
205L97.9Very high94.1Very high8 Ų843.9 Ų43.94%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-129.7143.6172.4-71.1178.1000108.8Q162 F171 V179 V202 L214 F215Q162-L205 HydrophobicContact CB-CB 4.31Å; Q162-L205 HydrophobicContact CG-CB 3.6Å; Q162-L205 VanDerWaalsContact CG-O 3.26Å; Q162-L205 WeakPolarHBondContact CG-O 3.36Å; Q162-L205 PolarHBondContact NE2-O 2.96Å; F171-L205 HydrophobicContact CB-CD1 4.01Å; F171-L205 VanDerWaalsContact O-CD1 3.31Å; F171-L205 WeakPolarHBondContact O-CD1 3.1Å; V179-L205 HydrophobicContact CG1-CD1 4.46Å; V179-L205 HydrophobicContact CG1-CD2 4.16Å; V179-L205 HydrophobicContact CG2-CD2 4.14Å; V202-L205 HydrophobicContact CG1-CD2 3.82Å; V202-L205 HydrophobicContact CG1-CG 4.17Å; L205-L214 HydrophobicContact CD2-CD1 4.42Å; L205-L214 HydrophobicContact CD2-CD2 4.32Å; L205-L214 HydrophobicContact CD2-CG 4.43Å; L205-F215 CarbonylContact C-O 3.54Å; L205-F215 VanDerWaalsContact CA-O 3.31Å; L205-F215 WeakPolarHBondContact CA-O 3.12Å
206C97.3Very high94.3Very high12 Ų1242 Ų428%0.08124%0.237CC..EExtended strand (participates in β ladder)trans-140.4124.1172.3-1750000109.5F215 L248 Y250C206-F215 HydrophobicContact CB-CB 4.35Å; C206-F215 PolarHBondContact N-O 2.89Å; C206-F215 PolarHBondContact O-N 2.85Å; C206-L248 HydrophobicContact CB-CB 3.76Å; C206-Y250 VanDerWaalsContact SG-CB 3.57Å; C206-Y250 PolarHBondContact SG-N 3.33Å
207W95.7Very high94.6Very high30 Ų3034.5 Ų34.511%0.11421%0.205CC..EExtended strand (participates in β ladder)trans-105.2129.2-177.4173.8-119.5000110.4Q162 D164 F171 R212 L214 I228Q162-W207 HydrophobicContact CB-CB 4.24Å; D164-W207 PolarHBondContact OD2-NE1 3.33Å; F171-W207 HydrophobicContact CD2-CB 4.34Å; F171-W207 HydrophobicContact CD2-CD2 4.43Å; F171-W207 HydrophobicContact CD2-CG 4.31Å; F171-W207 HydrophobicContact CE1-CE3 4.26Å; F171-W207 HydrophobicContact CE1-CZ3 4.25Å; F171-W207 HydrophobicContact CE2-CB 4.16Å; F171-W207 AromaticContact CE2-CD2 3.5Å; F171-W207 HydrophobicContact CE2-CD2 3.5Å; F171-W207 AromaticContact CE2-CE2 3.83Å; F171-W207 AromaticContact CE2-CE3 3.87Å; F171-W207 HydrophobicContact CE2-CE3 3.87Å; F171-W207 AromaticContact CE2-CG 3.65Å; F171-W207 HydrophobicContact CE2-CG 3.65Å; F171-W207 HydrophobicContact CE2-CZ2 4.41Å; F171-W207 HydrophobicContact CE2-CZ3 4.47Å; F171-W207 AromaticContact CZ-CD2 3.64Å; F171-W207 HydrophobicContact CZ-CD2 3.64Å; F171-W207 AromaticContact CZ-CE2 3.79Å; F171-W207 AromaticContact CZ-CE3 3.63Å; F171-W207 HydrophobicContact CZ-CE3 3.63Å; F171-W207 HydrophobicContact CZ-CG 4.29Å; F171-W207 AromaticContact CZ-CH2 3.9Å; F171-W207 HydrophobicContact CZ-CH2 3.9Å; F171-W207 AromaticContact CZ-CZ2 3.92Å; F171-W207 HydrophobicContact CZ-CZ2 3.92Å; F171-W207 AromaticContact CZ-CZ3 3.79Å; F171-W207 HydrophobicContact CZ-CZ3 3.79Å; W207-R212 VanDerWaalsContact CH2-CA 3.42Å; W207-R212 HydrophobicContact CH2-CB 3.88Å; W207-R212 HydrophobicContact CH2-CG 4.43Å; W207-R212 HydrophobicContact CZ2-CB 4.45Å; W207-R212 VanDerWaalsContact CZ3-C 3.45Å; W207-L214 HydrophobicContact CB-CD1 4.16Å; W207-L214 HydrophobicContact CE3-CB 3.86Å; W207-L214 HydrophobicContact CE3-CD1 4.19Å; W207-L214 HydrophobicContact CZ3-CB 4.14Å; W207-I228 HydrophobicContact CE3-CD1 4.32Å; W207-I228 HydrophobicContact CH2-CB 4.33Å; W207-I228 HydrophobicContact CH2-CD1 4.15Å; W207-I228 HydrophobicContact CH2-CG2 4.49Å; W207-I228 HydrophobicContact CZ3-CB 4.34Å; W207-I228 HydrophobicContact CZ3-CD1 3.49Å; W207-I228 VanDerWaalsContact CZ3-CD1 3.49Å; W207-I228 HydrophobicContact CZ3-CG1 4.46Å
208D93.3Very high95.1Very high9 Ų932.4 Ų32.45%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-104.9103.9165.3177.515.4000109.7A210 Q211 R212 V213 Y250D208-A210 VanDerWaalsContact C-N 3.27Å; D208-A210 PolarHBondContact O-N 3.25Å; D208-A210 WeakPolarHBondContact OD1-CB 3.49Å; D208-A210 PolarHBondContact OD1-N 2.84Å; D208-Q211 WeakPolarHBondContact OD2-CB 3.49Å; D208-Q211 WeakPolarHBondContact OD2-CG 3.43Å; D208-Q211 PolarHBondContact OD2-N 2.81Å; D208-R212 WeakPolarHBondContact O-CA 3.39Å; D208-R212 PolarHBondContact O-N 2.86Å; D208-V213 PolarHBondContact N-O 3.46Å; D208-V213 PolarHBondContact O-N 2.86Å; D208-V213 VanDerWaalsContact O-N 3.13Å; D208-Y250 HydrophobicContact CB-CD1 3.89Å; D208-Y250 HydrophobicContact CB-CE1 3.98Å; D208-Y250 VanDerWaalsContact OD2-CE1 3.31Å; D208-Y250 WeakPolarHBondContact OD2-CE1 3.26Å
209P90.4Very high95.2Very high64 Ų6433.3 Ų33.342%0.41619%0.191SC..THydrogen-bonded Turntrans-66.7-27.917926.2-33.2000112.8R212P209-R212 WeakPolarHBondContact O-CG 3.33Å
210A88.4Confident95.2Very high79 Ų7928.6 Ų28.665%0.65316%0.161SC*.THydrogen-bonded Turntrans-72.9-44.8-174.500000111.8D208D208-A210 VanDerWaalsContact C-N 3.27Å; D208-A210 PolarHBondContact O-N 3.25Å; D208-A210 WeakPolarHBondContact OD1-CB 3.49Å; D208-A210 PolarHBondContact OD1-N 2.84Å
211Q88.5Confident95.3Very high104 Ų10431.5 Ų31.549%0.48617%0.172SC..THydrogen-bonded Turntrans-90.3-7.9173.6-58.3-55.9-60.400113.1D208 V213D208-Q211 WeakPolarHBondContact OD2-CB 3.49Å; D208-Q211 WeakPolarHBondContact OD2-CG 3.43Å; D208-Q211 PolarHBondContact OD2-N 2.81Å; Q211-V213 VanDerWaalsContact C-N 3.32Å; Q211-V213 HydrophobicContact CB-CB 4.49Å; Q211-V213 HydrophobicContact CB-CG2 3.93Å
212R91.3Very high95.3Very high127 Ų12730 Ų3048%0.47916%0.164SC..THydrogen-bonded Turntrans55.647-174.4-61.4-179.3174.6-157.9-3.6112.2W207 D208 P209 I228W207-R212 VanDerWaalsContact CH2-CA 3.42Å; W207-R212 HydrophobicContact CH2-CB 3.88Å; W207-R212 HydrophobicContact CH2-CG 4.43Å; W207-R212 HydrophobicContact CZ2-CB 4.45Å; W207-R212 VanDerWaalsContact CZ3-C 3.45Å; D208-R212 WeakPolarHBondContact O-CA 3.39Å; D208-R212 PolarHBondContact O-N 2.86Å; P209-R212 WeakPolarHBondContact O-CG 3.33Å; R212-I228 PolarHBondContact O-N 2.74Å
213V93.1Very high95.4Very high16 Ų1630 Ų3010%0.09716%0.164CC..EExtended strand (participates in β ladder)trans-116.3130.6-178.8174.30000109.2D208 Q211 F215 M225 W226D208-V213 PolarHBondContact N-O 3.46Å; D208-V213 PolarHBondContact O-N 2.86Å; D208-V213 VanDerWaalsContact O-N 3.13Å; Q211-V213 VanDerWaalsContact C-N 3.32Å; Q211-V213 HydrophobicContact CB-CB 4.49Å; Q211-V213 HydrophobicContact CB-CG2 3.93Å; V213-F215 HydrophobicContact CG1-CD2 4.34Å; V213-F215 HydrophobicContact CG1-CE1 4.06Å; V213-F215 HydrophobicContact CG1-CE2 3.79Å; V213-F215 HydrophobicContact CG1-CZ 3.64Å; V213-M225 HydrophobicContact CG1-CG 3.25Å; V213-M225 HydrophobicContact CG1-SD 3.85Å; V213-W226 WeakPolarHBondContact CA-O 3.41Å
214L96.4Very high95.4Very high0 Ų029.1 Ų29.10%016%0.158CC..EExtended strand (participates in β ladder)trans-105.1133.3171.9-177.372.4000109.4F171 V179 L205 W207 W226 I228F171-L214 HydrophobicContact CB-CD1 4.03Å; F171-L214 HydrophobicContact CB-CD2 4.07Å; F171-L214 HydrophobicContact CD1-CD1 4.14Å; F171-L214 HydrophobicContact CD1-CD2 3.67Å; F171-L214 HydrophobicContact CD1-CG 4.44Å; F171-L214 HydrophobicContact CD2-CD1 4.15Å; F171-L214 HydrophobicContact CE1-CD2 4.4Å; F171-L214 HydrophobicContact CG-CD1 3.84Å; F171-L214 HydrophobicContact CG-CD2 4.03Å; V179-L214 HydrophobicContact CG1-CD2 3.66Å; L205-L214 HydrophobicContact CD2-CD1 4.42Å; L205-L214 HydrophobicContact CD2-CD2 4.32Å; L205-L214 HydrophobicContact CD2-CG 4.43Å; W207-L214 HydrophobicContact CB-CD1 4.16Å; W207-L214 HydrophobicContact CE3-CB 3.86Å; W207-L214 HydrophobicContact CE3-CD1 4.19Å; W207-L214 HydrophobicContact CZ3-CB 4.14Å; L214-W226 HydrophobicContact CB-CB 4.29Å; L214-W226 PolarHBondContact N-O 3.07Å; L214-W226 VanDerWaalsContact O-CD1 3.29Å; L214-W226 PolarHBondContact O-N 3.32Å; L214-I228 HydrophobicContact CB-CD1 3.6Å; L214-I228 HydrophobicContact CD2-CD1 4.36Å
215F97.7Very high95.4Very high3 Ų329.9 Ų29.91%0.01316%0.16CC..EExtended strand (participates in β ladder)trans-104.7130.9169.2-58.3-83.3000109.3L205 C206 V213 I223 I224 M225 L248 Y250 L257 M271L205-F215 CarbonylContact C-O 3.54Å; L205-F215 VanDerWaalsContact CA-O 3.31Å; L205-F215 WeakPolarHBondContact CA-O 3.12Å; C206-F215 HydrophobicContact CB-CB 4.35Å; C206-F215 PolarHBondContact N-O 2.89Å; C206-F215 PolarHBondContact O-N 2.85Å; V213-F215 HydrophobicContact CG1-CD2 4.34Å; V213-F215 HydrophobicContact CG1-CE1 4.06Å; V213-F215 HydrophobicContact CG1-CE2 3.79Å; V213-F215 HydrophobicContact CG1-CZ 3.64Å; F215-I223 HydrophobicContact CB-CG2 4.49Å; F215-I224 CarbonylContact C-O 3.51Å; F215-I224 WeakPolarHBondContact CA-O 3.23Å; F215-M225 HydrophobicContact CD1-CB 3.87Å; F215-M225 HydrophobicContact CD1-CG 3.88Å; F215-M225 HydrophobicContact CE1-CB 3.78Å; F215-M225 HydrophobicContact CE1-CG 3.42Å; F215-M225 VanDerWaalsContact CE1-CG 3.42Å; F215-M225 HydrophobicContact CE1-SD 3.72Å; F215-M225 HydrophobicContact CZ-CG 4.08Å; F215-M225 HydrophobicContact CZ-SD 4.12Å; F215-L248 HydrophobicContact CB-CD1 3.93Å; F215-Y250 AromaticContact CE2-CD2 3.8Å; F215-Y250 HydrophobicContact CE2-CD2 3.8Å; F215-Y250 HydrophobicContact CE2-CE2 4.12Å; F215-Y250 HydrophobicContact CE2-CG 4.36Å; F215-Y250 HydrophobicContact CZ-CD2 4.25Å; F215-Y250 HydrophobicContact CZ-CE2 4.22Å; F215-L257 HydrophobicContact CB-CD1 4.18Å; F215-L257 HydrophobicContact CB-CD2 4.34Å; F215-L257 HydrophobicContact CD1-CD1 4.25Å; F215-L257 HydrophobicContact CD1-CD2 3.62Å; F215-L257 HydrophobicContact CD1-CG 4.49Å; F215-L257 HydrophobicContact CD2-CD1 3.86Å; F215-L257 HydrophobicContact CE1-CD2 4.03Å; F215-L257 HydrophobicContact CE2-CD1 4.3Å; F215-L257 HydrophobicContact CG-CD1 3.83Å; F215-L257 HydrophobicContact CG-CD2 3.97Å; F215-M271 HydrophobicContact CE1-CE 3.61Å; F215-M271 HydrophobicContact CE1-SD 4.26Å; F215-M271 HydrophobicContact CZ-CE 3.96Å; F215-M271 HydrophobicContact CZ-CG 4.37Å
216S98.2Very high95.2Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-118.3127171.761.40000110.8H198 A204 I223 I224 W226H198-S216 PolarHBondContact CD2-OG 2.86Å; H198-S216 PolarHBondContact NE2-O 3.48Å; H198-S216 VanDerWaalsContact NE2-O 3.14Å; H198-S216 PolarHBondContact NE2-OG 2.86Å; A204-S216 WeakPolarHBondContact O-CA 3.48Å; S216-I223 CarbonylContact O-C 3.51Å; S216-I223 WeakPolarHBondContact O-CA 3.17Å; S216-I223 WeakPolarHBondContact O-CG2 3.33Å; S216-I224 PolarHBondContact N-O 3.27Å; S216-I224 PolarHBondContact O-N 3.14Å; S216-W226 PolarHBondContact OG-NE1 2.73Å
217G98.1Very high94.9Very high0 Ų030.7 Ų30.70%016%0.162CC..EExtended strand (participates in β ladder)trans-106.1143174.400000109.5T203 A204 L248T203-G217 PolarHBondContact N-O 3.2Å; T203-G217 PolarHBondContact OG1-O 3.37Å; A204-G217 PolarHBondContact N-O 3.44Å; A204-G217 PolarHBondContact O-N 3.35Å; G217-L248 VanDerWaalsContact N-CD1 3.29Å
218S97.9Very high94.6Very high0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-134.6161.7-170.4170.10000114H198 G200 N201 D220 H221 S222 V245H198-S218 VanDerWaalsContact CE1-CB 3.41Å; H198-S218 WeakPolarHBondContact CE1-CB 3.4Å; H198-S218 VanDerWaalsContact CG-CB 3.42Å; H198-S218 WeakPolarHBondContact ND1-CB 3.4Å; G200-S218 PolarHBondContact O-OG 3.32Å; N201-S218 CarbonylContact O-C 3.54Å; N201-S218 WeakPolarHBondContact O-CA 3.38Å; N201-S218 PolarHBondContact O-OG 2.96Å; S218-D220 VanDerWaalsContact CB-OD1 3.28Å; S218-D220 WeakPolarHBondContact CB-OD1 3.38Å; S218-D220 PolarHBondContact O-N 3.14Å; S218-D220 PolarHBondContact OG-N 3.06Å; S218-D220 VanDerWaalsContact OG-N 3.08Å; S218-D220 PolarHBondContact OG-OD1 3.21Å; S218-D220 PolarHBondContact OG-OD2 2.77Å; S218-D220 VanDerWaalsContact OG-OD2 3.06Å; S218-H221 PolarHBondContact O-N 3.45Å; S218-S222 PolarHBondContact N-O 3.24Å; S218-S222 VanDerWaalsContact N-O 3.15Å; S218-V245 PolarHBondContact O-N 3.29Å; S218-V245 VanDerWaalsContact O-N 3.1Å
219S97.4Very high93.5Very high31 Ų3133.5 Ų33.522%0.21719%0.187CC..THydrogen-bonded Turntrans-68.8-5.9169.178.50000113.7G200 N201 H221G200-S219 WeakPolarHBondContact CA-OG 3.15Å; N201-S219 PolarHBondContact N-OG 3.3Å; N201-S219 PolarHBondContact O-N 3.08Å; S219-H221 PolarHBondContact O-CE1 3.15Å; S219-H221 PolarHBondContact O-ND1 3.27Å
220D96.4Very high92Very high31 Ų3133.7 Ų33.717%0.16620%0.2CC..THydrogen-bonded Turntrans-84.47.6170.566.524.7000114.1H198 T199 S218 S222H198-D220 WeakPolarHBondContact CA-OD2 3.47Å; H198-D220 VanDerWaalsContact CB-OD2 3.23Å; H198-D220 WeakPolarHBondContact CB-OD2 3.48Å; H198-D220 IonicContact CE1-OD1 3.48Å; H198-D220 IonicContact CG-OD2 3.6Å; H198-D220 IonicContact ND1-OD1 2.68Å; H198-D220 PolarHBondContact ND1-OD1 2.84Å; H198-D220 IonicContact ND1-OD2 2.95Å; H198-D220 PolarHBondContact ND1-OD2 2.76Å; T199-D220 PolarHBondContact N-OD2 3.48Å; T199-D220 VanDerWaalsContact OG1-CB 3.28Å; T199-D220 WeakPolarHBondContact OG1-CB 3.29Å; S218-D220 VanDerWaalsContact CB-OD1 3.28Å; S218-D220 WeakPolarHBondContact CB-OD1 3.38Å; S218-D220 PolarHBondContact O-N 3.14Å; S218-D220 PolarHBondContact OG-N 3.06Å; S218-D220 VanDerWaalsContact OG-N 3.08Å; S218-D220 PolarHBondContact OG-OD1 3.21Å; S218-D220 PolarHBondContact OG-OD2 2.77Å; S218-D220 VanDerWaalsContact OG-OD2 3.06Å; D220-S222 PolarHBondContact O-N 3.35Å; D220-S222 WeakPolarHBondContact OD1-CB 3.36Å; D220-S222 PolarHBondContact OD1-N 3.34Å; D220-S222 PolarHBondContact OD1-OG 2.54Å
221H97.1Very high90.2Very high72 Ų7238.5 Ų38.533%0.33320%0.201SC..SBendtrans73.33.2175.9-35.1-37.2000114.3S218 S219 D243 K244S218-H221 PolarHBondContact O-N 3.45Å; S219-H221 PolarHBondContact O-CE1 3.15Å; S219-H221 PolarHBondContact O-ND1 3.27Å; H221-D243 IonicContact CE1-OD1 3.86Å; H221-D243 WeakPolarHBondContact ND1-CA 3.45Å; H221-D243 PolarHBondContact ND1-O 2.96Å; H221-K244 PolarHBondContact ND1-N 3.13Å
222S96.7Very high88.7Confident5 Ų543.6 Ų43.64%0.03522%0.222CC..EExtended strand (participates in β ladder)trans-102.9158.1174.774.70000111.8H198 S218 D220H198-S222 PolarHBondContact CE1-O 3.01Å; H198-S222 PolarHBondContact CE1-OG 2.82Å; H198-S222 PolarHBondContact ND1-OG 2.92Å; S218-S222 PolarHBondContact N-O 3.24Å; S218-S222 VanDerWaalsContact N-O 3.15Å; D220-S222 PolarHBondContact O-N 3.35Å; D220-S222 WeakPolarHBondContact OD1-CB 3.36Å; D220-S222 PolarHBondContact OD1-N 3.34Å; D220-S222 PolarHBondContact OD1-OG 2.54Å
223I98.2Very high87.6Confident0 Ų040.3 Ų40.30%023%0.227CC..EExtended strand (participates in β ladder)trans-115.5139.1165.1-58.9160.5000106.5F215 S216 E237 L238 V245 L248 L257 S259 W269F215-I223 HydrophobicContact CB-CG2 4.49Å; S216-I223 CarbonylContact O-C 3.51Å; S216-I223 WeakPolarHBondContact O-CA 3.17Å; S216-I223 WeakPolarHBondContact O-CG2 3.33Å; I223-E237 CarbonylContact O-C 3.57Å; I223-E237 WeakPolarHBondContact O-CA 2.88Å; I223-L238 HydrophobicContact CB-CB 4.07Å; I223-L238 HydrophobicContact CG2-CD1 4.17Å; I223-L238 PolarHBondContact N-O 2.81Å; I223-L238 PolarHBondContact O-N 2.86Å; I223-V245 HydrophobicContact CD1-CG1 4.33Å; I223-V245 HydrophobicContact CD1-CG2 4.49Å; I223-V245 HydrophobicContact CG1-CG1 4.1Å; I223-V245 HydrophobicContact CG1-CG2 3.92Å; I223-L248 HydrophobicContact CD1-CD2 3.73Å; I223-L248 HydrophobicContact CG1-CD2 4.08Å; I223-L248 HydrophobicContact CG2-CD1 4.25Å; I223-L248 HydrophobicContact CG2-CD2 4.3Å; I223-L257 HydrophobicContact CG2-CD2 4.09Å; I223-S259 VanDerWaalsContact CD1-CB 3.42Å; I223-S259 WeakPolarHBondContact CD1-OG 3.46Å; I223-W269 HydrophobicContact CD1-CZ2 4.04Å
224I97.3Very high87.2Confident11 Ų1141.1 Ų41.16%0.05623%0.232CC..EExtended strand (participates in β ladder)trans-116.1130.6172.4-59.4170.6000108.7F215 S216 W226 A235 I236F215-I224 CarbonylContact C-O 3.51Å; F215-I224 WeakPolarHBondContact CA-O 3.23Å; S216-I224 PolarHBondContact N-O 3.27Å; S216-I224 PolarHBondContact O-N 3.14Å; I224-W226 HydrophobicContact CB-CZ2 3.86Å; I224-W226 HydrophobicContact CD1-CH2 4.19Å; I224-W226 HydrophobicContact CD1-CZ2 3.79Å; I224-W226 HydrophobicContact CG1-CZ2 4.44Å; I224-W226 HydrophobicContact CG2-CD2 3.77Å; I224-W226 HydrophobicContact CG2-CE3 4.19Å; I224-W226 HydrophobicContact CG2-CG 4.31Å; I224-W226 HydrophobicContact CG2-CH2 3.94Å; I224-W226 HydrophobicContact CG2-CZ2 3.49Å; I224-W226 VanDerWaalsContact CG2-CZ2 3.49Å; I224-W226 HydrophobicContact CG2-CZ3 4.26Å; I224-A235 HydrophobicContact CG2-CB 4.1Å; I224-I236 WeakPolarHBondContact CA-O 3.1Å
225M96Very high86.9Confident26 Ų2642.8 Ų42.813%0.12825%0.246CC..EExtended strand (participates in β ladder)trans-94.5121.5169.1-176.3-176.57700109.2V213 F215 A235 I236 M271V213-M225 HydrophobicContact CG1-CG 3.25Å; V213-M225 HydrophobicContact CG1-SD 3.85Å; F215-M225 HydrophobicContact CD1-CB 3.87Å; F215-M225 HydrophobicContact CD1-CG 3.88Å; F215-M225 HydrophobicContact CE1-CB 3.78Å; F215-M225 HydrophobicContact CE1-CG 3.42Å; F215-M225 VanDerWaalsContact CE1-CG 3.42Å; F215-M225 HydrophobicContact CE1-SD 3.72Å; F215-M225 HydrophobicContact CZ-CG 4.08Å; F215-M225 HydrophobicContact CZ-SD 4.12Å; M225-A235 WeakPolarHBondContact O-CA 3.48Å; M225-I236 HydrophobicContact CB-CB 4.43Å; M225-I236 HydrophobicContact CE-CB 4.09Å; M225-I236 HydrophobicContact CE-CD1 3.32Å; M225-I236 HydrophobicContact CE-CG1 4.22Å; M225-I236 PolarHBondContact N-O 2.77Å; M225-I236 PolarHBondContact O-N 3.36Å; M225-M271 HydrophobicContact CE-CE 4.49Å; M225-M271 HydrophobicContact CG-CE 4.49Å; M225-M271 HydrophobicContact SD-CE 3.26Å; M225-M271 WeakPolarHBondContact SD-CE 3.18Å
226W94.7Very high86.7Confident17 Ų1743.2 Ų43.26%0.06425%0.248CC..EExtended strand (participates in β ladder)trans-108.3114.4179.2-49.491.2000109.7F195 V213 L214 S216 I224 I228 A235F195-W226 HydrophobicContact CB-CD2 4.19Å; F195-W226 HydrophobicContact CB-CE3 3.9Å; F195-W226 HydrophobicContact CB-CH2 3.78Å; F195-W226 HydrophobicContact CB-CZ2 4.06Å; F195-W226 HydrophobicContact CB-CZ3 3.69Å; F195-W226 HydrophobicContact CD1-CE3 4.41Å; F195-W226 HydrophobicContact CD2-CB 4.2Å; F195-W226 AromaticContact CD2-CD2 3.69Å; F195-W226 HydrophobicContact CD2-CD2 3.69Å; F195-W226 AromaticContact CD2-CE3 3.76Å; F195-W226 HydrophobicContact CD2-CE3 3.76Å; F195-W226 AromaticContact CD2-CG 3.9Å; F195-W226 HydrophobicContact CD2-CG 3.9Å; F195-W226 HydrophobicContact CD2-CZ3 4.43Å; F195-W226 HydrophobicContact CE2-CB 3.97Å; F195-W226 HydrophobicContact CE2-CD2 4.32Å; F195-W226 HydrophobicContact CE2-CE3 4.36Å; F195-W226 HydrophobicContact CE2-CG 4.19Å; F195-W226 HydrophobicContact CG-CD2 4.13Å; F195-W226 AromaticContact CG-CE3 3.79Å; F195-W226 HydrophobicContact CG-CE3 3.79Å; F195-W226 HydrophobicContact CG-CZ3 4.04Å; V213-W226 WeakPolarHBondContact CA-O 3.41Å; L214-W226 HydrophobicContact CB-CB 4.29Å; L214-W226 PolarHBondContact N-O 3.07Å; L214-W226 VanDerWaalsContact O-CD1 3.29Å; L214-W226 PolarHBondContact O-N 3.32Å; S216-W226 PolarHBondContact OG-NE1 2.73Å; I224-W226 HydrophobicContact CB-CZ2 3.86Å; I224-W226 HydrophobicContact CD1-CH2 4.19Å; I224-W226 HydrophobicContact CD1-CZ2 3.79Å; I224-W226 HydrophobicContact CG1-CZ2 4.44Å; I224-W226 HydrophobicContact CG2-CD2 3.77Å; I224-W226 HydrophobicContact CG2-CE3 4.19Å; I224-W226 HydrophobicContact CG2-CG 4.31Å; I224-W226 HydrophobicContact CG2-CH2 3.94Å; I224-W226 HydrophobicContact CG2-CZ2 3.49Å; I224-W226 VanDerWaalsContact CG2-CZ2 3.49Å; I224-W226 HydrophobicContact CG2-CZ3 4.26Å; W226-I228 PolarHBondContact O-N 3.27Å; W226-A235 HydrophobicContact CE3-CB 3.77Å; W226-A235 HydrophobicContact CH2-CB 4.48Å; W226-A235 HydrophobicContact CZ3-CB 3.68Å
227D90.8Very high86.5Confident20 Ų2044.9 Ų44.911%0.10726%0.256CS..EExtended strand (participates in β ladder)trans-80.5109.9169.4-177.5-24.1000109.2G229 G230 R231 G233 T234D227-G229 PolarHBondContact OD1-N 2.94Å; D227-G230 PolarHBondContact OD1-N 3.33Å; D227-R231 PolarHBondContact OD1-N 3.44Å; D227-R231 WeakPolarHBondContact OD2-CB 3.19Å; D227-R231 PolarHBondContact OD2-N 2.82Å; D227-G233 WeakPolarHBondContact O-CA 3.36Å; D227-T234 WeakPolarHBondContact CB-OG1 3.28Å; D227-T234 PolarHBondContact N-O 3.48Å
228I88.3Confident86.5Confident65 Ų6544.9 Ų44.933%0.33326%0.256SS..  trans-96.2-18.9-178.8-68.1156.7000111.4F171 I181 F195 W207 R212 L214 W226F171-I228 HydrophobicContact CD1-CD1 4.47Å; F171-I228 HydrophobicContact CE1-CD1 3.77Å; F171-I228 HydrophobicContact CZ-CD1 4.48Å; I181-I228 HydrophobicContact CD1-CD1 4.03Å; I181-I228 HydrophobicContact CD1-CG1 4.36Å; F195-I228 HydrophobicContact CE2-CD1 4.07Å; F195-I228 HydrophobicContact CE2-CG1 3.84Å; F195-I228 HydrophobicContact CZ-CG1 3.96Å; W207-I228 HydrophobicContact CE3-CD1 4.32Å; W207-I228 HydrophobicContact CH2-CB 4.33Å; W207-I228 HydrophobicContact CH2-CD1 4.15Å; W207-I228 HydrophobicContact CH2-CG2 4.49Å; W207-I228 HydrophobicContact CZ3-CB 4.34Å; W207-I228 HydrophobicContact CZ3-CD1 3.49Å; W207-I228 VanDerWaalsContact CZ3-CD1 3.49Å; W207-I228 HydrophobicContact CZ3-CG1 4.46Å; R212-I228 PolarHBondContact O-N 2.74Å; L214-I228 HydrophobicContact CB-CD1 3.6Å; L214-I228 HydrophobicContact CD2-CD1 4.36Å; W226-I228 PolarHBondContact O-N 3.27Å
229G70.2Confident86.4Confident33 Ų3347.5 Ų47.534%0.3427%0.269SS..SBendtrans-120.1-5.2-158.300000118.7D227D227-G229 PolarHBondContact OD1-N 2.94Å
230G59.9Low86.2Confident67 Ų6746 Ų4669%0.69126%0.258SS*.SBendtrans-166-14.3-174.800000118.8D227D227-G230 PolarHBondContact OD1-N 3.33Å
231R51.3Low86.2Confident181 Ų18145 Ų4568%0.68325%0.252SS*.SBendtrans-136.885.9177.5-51.3-179.6178.9-162.51.2111.3D227 G233 T234D227-R231 PolarHBondContact OD1-N 3.44Å; D227-R231 WeakPolarHBondContact OD2-CB 3.19Å; D227-R231 PolarHBondContact OD2-N 2.82Å; R231-G233 VanDerWaalsContact C-N 3.26Å; R231-G233 PolarHBondContact O-N 3.36Å; R231-T234 WeakPolarHBondContact O-CG2 3.35Å; R231-T234 PolarHBondContact O-N 2.72Å; R231-T234 PolarHBondContact O-OG1 3.47Å
232K56Low86.2Confident211 Ų21147.2 Ų47.292%0.91727%0.266SS*.THydrogen-bonded Turntrans52.723.8159.8-64.4-176.5176.3-179.80117.9T234K232-T234 VanDerWaalsContact C-N 3.28Å; K232-T234 PolarHBondContact O-N 2.8Å
233G67.4Low86.2Confident57 Ų5749.8 Ų49.859%0.58828%0.28SS*.THydrogen-bonded Turntrans65.132.5176.600000113.3D227 R231D227-G233 WeakPolarHBondContact O-CA 3.36Å; R231-G233 VanDerWaalsContact C-N 3.26Å; R231-G233 PolarHBondContact O-N 3.36Å
234T84.8Confident86.1Confident34 Ų3454.4 Ų54.421%0.20930%0.3CS..  trans-67.4143.8-176.6520000112.1D227 R231 K232 E277D227-T234 WeakPolarHBondContact CB-OG1 3.28Å; D227-T234 PolarHBondContact N-O 3.48Å; R231-T234 WeakPolarHBondContact O-CG2 3.35Å; R231-T234 PolarHBondContact O-N 2.72Å; R231-T234 PolarHBondContact O-OG1 3.47Å; K232-T234 VanDerWaalsContact C-N 3.28Å; K232-T234 PolarHBondContact O-N 2.8Å; T234-E277 WeakPolarHBondContact CA-OE1 3.3Å; T234-E277 WeakPolarHBondContact CB-OE1 3.42Å; T234-E277 HydrophobicContact CG2-CG 4.36Å; T234-E277 VanDerWaalsContact CG2-OE1 3.23Å; T234-E277 WeakPolarHBondContact CG2-OE1 3.41Å
235A91.5Very high86.2Confident35 Ų3553.9 Ų53.929%0.28930%0.297SS..EExtended strand (participates in β ladder)trans-122.4116.7177.600000110I224 M225 W226 E277I224-A235 HydrophobicContact CG2-CB 4.1Å; M225-A235 WeakPolarHBondContact O-CA 3.48Å; W226-A235 HydrophobicContact CE3-CB 3.77Å; W226-A235 HydrophobicContact CH2-CB 4.48Å; W226-A235 HydrophobicContact CZ3-CB 3.68Å; A235-E277 PolarHBondContact N-OE1 3.27Å
236I93.3Very high86.2Confident12 Ų1255.3 Ų55.36%0.06230%0.304CS..EExtended strand (participates in β ladder)trans-113.7123.3-179-67.3157.9000108.8I224 M225 L238 R275 E277I224-I236 WeakPolarHBondContact CA-O 3.1Å; M225-I236 HydrophobicContact CB-CB 4.43Å; M225-I236 HydrophobicContact CE-CB 4.09Å; M225-I236 HydrophobicContact CE-CD1 3.32Å; M225-I236 HydrophobicContact CE-CG1 4.22Å; M225-I236 PolarHBondContact N-O 2.77Å; M225-I236 PolarHBondContact O-N 3.36Å; I236-L238 HydrophobicContact CG2-CD2 4.41Å; I236-R275 HydrophobicContact CD1-CB 3.87Å; I236-R275 HydrophobicContact CG1-CB 4.48Å; I236-R275 HydrophobicContact CG2-CB 3.8Å; I236-R275 HydrophobicContact CG2-CG 4.4Å; I236-E277 HydrophobicContact CG1-CG 4.16Å
237E94.1Very high86.3Confident34 Ų3454.9 Ų54.916%0.15930%0.304CS..EExtended strand (participates in β ladder)trans-79.6148.9175.5-162174.6164.800110.5I223 Q239 R315 G336I223-E237 CarbonylContact O-C 3.57Å; I223-E237 WeakPolarHBondContact O-CA 2.88Å; E237-Q239 HydrophobicContact CG-CG 4.11Å; E237-Q239 WeakPolarHBondContact OE1-CG 3.43Å; E237-Q239 PolarHBondContact OE1-NE2 2.74Å; E237-R315 IonicContact OE1-NH2 3.33Å; E237-R315 PolarHBondContact OE1-NH2 2.92Å; E237-R315 IonicContact OE2-CZ 2.91Å; E237-R315 IonicContact OE2-NH1 3.76Å; E237-R315 IonicContact OE2-NH2 2.81Å; E237-R315 PolarHBondContact OE2-NH2 3.33Å; E237-G336 WeakPolarHBondContact O-CA 3.33Å
238L97Very high86.6Confident0 Ų054.7 Ų54.70%030%0.303CS..EExtended strand (participates in β ladder)trans-134.1106.9175.3-57.2174.4000106.8I223 I236 L257 W269 M271 R275I223-L238 HydrophobicContact CB-CB 4.07Å; I223-L238 HydrophobicContact CG2-CD1 4.17Å; I223-L238 PolarHBondContact N-O 2.81Å; I223-L238 PolarHBondContact O-N 2.86Å; I236-L238 HydrophobicContact CG2-CD2 4.41Å; L238-L257 HydrophobicContact CD1-CD2 4.2Å; L238-W269 HydrophobicContact CB-CD2 4.44Å; L238-W269 HydrophobicContact CB-CE3 4.08Å; L238-W269 HydrophobicContact CB-CH2 3.9Å; L238-W269 HydrophobicContact CB-CZ2 4.27Å; L238-W269 HydrophobicContact CB-CZ3 3.8Å; L238-W269 HydrophobicContact CD1-CD2 4.31Å; L238-W269 HydrophobicContact CD1-CE3 4.35Å; L238-W269 HydrophobicContact CD2-CE3 4.12Å; L238-W269 HydrophobicContact CD2-CZ3 4.31Å; L238-W269 HydrophobicContact CG-CE3 4.42Å; L238-M271 HydrophobicContact CD1-SD 4.37Å; L238-R275 VanDerWaalsContact CD2-CZ 3.46Å
239Q95.7Very high87Confident56 Ų5653 Ų5326%0.26230%0.297SS..EExtended strand (participates in β ladder)trans-110.3115.3178.5-70.3-161.3-13.100110.5E237 G336 F337 E338E237-Q239 HydrophobicContact CG-CG 4.11Å; E237-Q239 WeakPolarHBondContact OE1-CG 3.43Å; E237-Q239 PolarHBondContact OE1-NE2 2.74Å; Q239-G336 PolarHBondContact N-O 2.91Å; Q239-F337 HydrophobicContact CB-CD1 3.95Å; Q239-F337 HydrophobicContact CB-CE1 4.32Å; Q239-F337 HydrophobicContact CG-CD1 3.99Å; Q239-F337 HydrophobicContact CG-CE1 3.84Å; Q239-E338 WeakPolarHBondContact O-CB 3.46Å; Q239-E338 PolarHBondContact O-N 2.88Å; Q239-E338 VanDerWaalsContact O-N 3.09Å
240G94.1Very high88.1Confident0 Ų053.1 Ų53.10%029%0.287CS..  trans-157.47.5178.100000113.1F339 F362G240-F339 VanDerWaalsContact C-CZ 3.4Å; G240-F339 WeakPolarHBondContact O-CE2 3.19Å; G240-F339 WeakPolarHBondContact O-CZ 3.48Å; G240-F362 VanDerWaalsContact O-CE1 3.23Å; G240-F362 WeakPolarHBondContact O-CE1 3.4Å
241H96.6Very high89.8Confident9 Ų950 Ų504%0.04226%0.255CS..  trans-113.8147.3176.9-68.5-63.6000110.4V245 S259 S261 D263 S265 V267H241-V245 HydrophobicContact CB-CG2 4.46Å; H241-S259 WeakPolarHBondContact NE2-CB 3.28Å; H241-S259 PolarHBondContact NE2-OG 3.32Å; H241-S261 WeakPolarHBondContact ND1-CB 3.5Å; H241-D263 IonicContact ND1-OD2 3.87Å; H241-S265 PolarHBondContact CE1-OG 3.08Å; H241-S265 PolarHBondContact ND1-OG 2.81Å; H241-V267 WeakPolarHBondContact CE1-CG2 3.15Å
242N96.1Very high91.5Very high118 Ų11845.1 Ų45.163%0.63125%0.249SC*.SBendtrans-98.7-7.6176.3-67.7-63.3000112.2D263N242-D263 HydrophobicContact CB-CB 4.41Å; N242-D263 PolarHBondContact N-OD2 3.25Å
243D97Very high93Very high60 Ų6040.6 Ų40.632%0.32123%0.23SC..SBendtrans-142.9-175.8175.4-154-16.3000110.3H221 V245 S261 D263H221-D243 IonicContact CE1-OD1 3.86Å; H221-D243 WeakPolarHBondContact ND1-CA 3.45Å; H221-D243 PolarHBondContact ND1-O 2.96Å; D243-V245 PolarHBondContact O-N 2.89Å; D243-S261 PolarHBondContact O-OG 2.95Å; D243-D263 HydrophobicContact CB-CB 3.81Å; D243-D263 PolarHBondContact N-OD2 3.45Å
244K96.8Very high94.1Very high97 Ų9738.6 Ų38.642%0.42221%0.207SC..  trans-54.1130.6-175-56.5178.9-173.9169.30111.1H221 Q246 S261 S262H221-K244 PolarHBondContact ND1-N 3.13Å; K244-Q246 PolarHBondContact O-N 2.78Å; K244-S261 CarbonylContact O-C 3.56Å; K244-S261 VanDerWaalsContact O-CA 3.27Å; K244-S261 WeakPolarHBondContact O-CA 3.34Å; K244-S261 PolarHBondContact O-OG 3.09Å; K244-S262 PolarHBondContact O-N 3.43Å
245V98.1Very high94.5Very high0 Ų042.4 Ų42.40%022%0.218CC..EExtended strand (participates in β ladder)trans-69130.1166.4-171.60000107.4T203 S218 I223 H241 D243 L248T203-V245 WeakPolarHBondContact CB-O 3.34Å; T203-V245 PolarHBondContact OG1-O 2.82Å; S218-V245 PolarHBondContact O-N 3.29Å; S218-V245 VanDerWaalsContact O-N 3.1Å; I223-V245 HydrophobicContact CD1-CG1 4.33Å; I223-V245 HydrophobicContact CD1-CG2 4.49Å; I223-V245 HydrophobicContact CG1-CG1 4.1Å; I223-V245 HydrophobicContact CG1-CG2 3.92Å; H241-V245 HydrophobicContact CB-CG2 4.46Å; D243-V245 PolarHBondContact O-N 2.89Å; V245-L248 HydrophobicContact CG1-CD2 4.07Å; V245-L248 HydrophobicContact CG1-CG 4.39Å
246Q96.4Very high94.6Very high56 Ų5641.9 Ų41.926%0.26221%0.209SC..EExtended strand (participates in β ladder)trans-112.2-23.8-175.3-70.4-72.5600112.7K244 C260 S262 I369K244-Q246 PolarHBondContact O-N 2.78Å; Q246-C260 PolarHBondContact N-O 2.78Å; Q246-S262 VanDerWaalsContact CG-OG 3.24Å; Q246-S262 WeakPolarHBondContact CG-OG 3.45Å; Q246-S262 PolarHBondContact NE2-OG 2.96Å; Q246-I369 WeakPolarHBondContact CG-O 3.32Å
247G95.9Very high94.8Very high7 Ų741.3 Ų41.37%0.07221%0.206CC..EExtended strand (participates in β ladder)trans-155.8152.9179.800000112.3S259 C260 M372G247-S259 WeakPolarHBondContact O-CA 3.21Å; G247-C260 PolarHBondContact N-O 2.78Å; G247-C260 PolarHBondContact O-N 2.86Å; G247-C260 VanDerWaalsContact O-N 3.08Å; G247-M372 VanDerWaalsContact CA-SD 3.55Å
248L98Very high95Very high17 Ų1739.7 Ų39.79%0.08920%0.199CC..EExtended strand (participates in β ladder)trans-136.2138.4176.4-67.4178.6000109.2A204 C206 F215 G217 I223 V245 L257 I258 S259A204-L248 HydrophobicContact CB-CB 4.3Å; A204-L248 HydrophobicContact CB-CD1 4.27Å; A204-L248 HydrophobicContact CB-CG 3.96Å; C206-L248 HydrophobicContact CB-CB 3.76Å; F215-L248 HydrophobicContact CB-CD1 3.93Å; G217-L248 VanDerWaalsContact N-CD1 3.29Å; I223-L248 HydrophobicContact CD1-CD2 3.73Å; I223-L248 HydrophobicContact CG1-CD2 4.08Å; I223-L248 HydrophobicContact CG2-CD1 4.25Å; I223-L248 HydrophobicContact CG2-CD2 4.3Å; V245-L248 HydrophobicContact CG1-CD2 4.07Å; V245-L248 HydrophobicContact CG1-CG 4.39Å; L248-L257 HydrophobicContact CB-CD1 4.49Å; L248-L257 HydrophobicContact CD2-CD1 4.42Å; L248-L257 HydrophobicContact CD2-CD2 4.25Å; L248-L257 HydrophobicContact CD2-CG 4.45Å; L248-I258 WeakPolarHBondContact CA-O 3.28Å; L248-S259 VanDerWaalsContact CD2-CB 3.47Å
249C96.1Very high95.1Very high30 Ų3039.7 Ų39.720%0.20320%0.199CC..EExtended strand (participates in β ladder)trans-143.8142.1168.4-170.80000110.5I258 M372C249-I258 PolarHBondContact N-O 2.92Å; C249-I258 PolarHBondContact O-N 2.95Å; C249-M372 HydrophobicContact CB-CE 3.96Å
250Y94.8Very high95.1Very high34 Ų3437 Ų3713%0.13319%0.186CC..EExtended strand (participates in β ladder)trans-107.1120.3179.8-171-110.8000110.8C206 D208 F215 S252 R255 Q256 L257 M271C206-Y250 VanDerWaalsContact SG-CB 3.57Å; C206-Y250 PolarHBondContact SG-N 3.33Å; D208-Y250 HydrophobicContact CB-CD1 3.89Å; D208-Y250 HydrophobicContact CB-CE1 3.98Å; D208-Y250 VanDerWaalsContact OD2-CE1 3.31Å; D208-Y250 WeakPolarHBondContact OD2-CE1 3.26Å; F215-Y250 AromaticContact CE2-CD2 3.8Å; F215-Y250 HydrophobicContact CE2-CD2 3.8Å; F215-Y250 HydrophobicContact CE2-CE2 4.12Å; F215-Y250 HydrophobicContact CE2-CG 4.36Å; F215-Y250 HydrophobicContact CZ-CD2 4.25Å; F215-Y250 HydrophobicContact CZ-CE2 4.22Å; Y250-S252 PolarHBondContact O-N 3.11Å; Y250-R255 WeakPolarHBondContact OH-CA 3.44Å; Y250-Q256 WeakPolarHBondContact CD2-O 3.32Å; Y250-L257 HydrophobicContact CD2-CB 4.35Å; Y250-L257 HydrophobicContact CD2-CD1 4.43Å; Y250-M271 HydrophobicContact CE2-CB 4.35Å; Y250-M271 HydrophobicContact CE2-CG 4.11Å
251A93.7Very high95.3Very high1 Ų137 Ų371%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-87.19117100000108.9H253 T254 R255 Q256 Y374 V399A251-H253 VanDerWaalsContact C-N 3.29Å; A251-H253 PolarHBondContact O-N 2.88Å; A251-T254 PolarHBondContact O-N 2.8Å; A251-R255 WeakPolarHBondContact O-CA 3.41Å; A251-R255 PolarHBondContact O-N 2.88Å; A251-Q256 PolarHBondContact N-O 3.33Å; A251-Q256 PolarHBondContact O-N 3.39Å; A251-Y374 HydrophobicContact CB-CE1 4.14Å; A251-V399 HydrophobicContact CB-CG1 3.62Å
252S88.6Confident95.3Very high79 Ų7937.5 Ų37.555%0.55219%0.191SC*.THydrogen-bonded Turntrans-62-32.4-174.956.50000114.2Y250 T254 R255Y250-S252 PolarHBondContact O-N 3.11Å; S252-T254 PolarHBondContact O-N 2.91Å; S252-R255 PolarHBondContact O-N 3.46Å
253H86.8Confident95.2Very high116 Ų11634.1 Ų34.154%0.53717%0.173SC..THydrogen-bonded Turntrans-68.1-31.1-179.363.1-74000113.5A251A251-H253 VanDerWaalsContact C-N 3.29Å; A251-H253 PolarHBondContact O-N 2.88Å
254T90.4Very high95.1Very high16 Ų1631.4 Ų31.410%0.09816%0.159CC..THydrogen-bonded Turntrans-109.80.3176.657.20000113.1A251 S252 Q256 V399 S400A251-T254 PolarHBondContact O-N 2.8Å; S252-T254 PolarHBondContact O-N 2.91Å; T254-Q256 VanDerWaalsContact C-N 3.28Å; T254-Q256 VanDerWaalsContact CB-OE1 3.29Å; T254-Q256 PolarHBondContact O-N 2.82Å; T254-Q256 PolarHBondContact OG1-OE1 3.26Å; T254-V399 HydrophobicContact CG2-CG1 4.27Å; T254-V399 VanDerWaalsContact OG1-CG1 3.3Å; T254-V399 WeakPolarHBondContact OG1-CG1 3.25Å; T254-S400 VanDerWaalsContact CG2-C 3.44Å
255R92.7Very high95.1Very high114 Ų11427.7 Ų27.743%0.4315%0.145SC..THydrogen-bonded Turntrans50.847.6-176.2-61.5175.2171.5-170.8-2.7112.6Y250 A251 S252 M271 D272Y250-R255 WeakPolarHBondContact OH-CA 3.44Å; A251-R255 WeakPolarHBondContact O-CA 3.41Å; A251-R255 PolarHBondContact O-N 2.88Å; S252-R255 PolarHBondContact O-N 3.46Å; R255-M271 WeakPolarHBondContact O-CB 3.28Å; R255-M271 PolarHBondContact O-N 3.23Å; R255-M271 VanDerWaalsContact O-N 3.11Å; R255-D272 WeakPolarHBondContact CD-OD1 3.44Å; R255-D272 IonicContact CZ-OD1 3.08Å; R255-D272 IonicContact NE-OD1 3.59Å; R255-D272 IonicContact NH1-OD1 3.72Å; R255-D272 PolarHBondContact NH1-OD1 2.9Å
256Q95.1Very high95.1Very high23 Ų2327.7 Ų27.711%0.10715%0.145CC..EExtended strand (participates in β ladder)trans-119.1137.3179.3-75.6159.5-1900110.6Y250 A251 T254 I268 W269 S400Y250-Q256 WeakPolarHBondContact CD2-O 3.32Å; A251-Q256 PolarHBondContact N-O 3.33Å; A251-Q256 PolarHBondContact O-N 3.39Å; T254-Q256 VanDerWaalsContact C-N 3.28Å; T254-Q256 VanDerWaalsContact CB-OE1 3.29Å; T254-Q256 PolarHBondContact O-N 2.82Å; T254-Q256 PolarHBondContact OG1-OE1 3.26Å; Q256-I268 HydrophobicContact CB-CG2 4.1Å; Q256-I268 HydrophobicContact CG-CG2 4.25Å; Q256-W269 VanDerWaalsContact CA-O 3.28Å; Q256-W269 WeakPolarHBondContact CA-O 3.49Å; Q256-S400 PolarHBondContact NE2-O 3.06Å
257L97.3Very high95.1Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-93.6132.3169.6-179.274.7000108.4F215 I223 L238 L248 Y250 I268 W269 M271F215-L257 HydrophobicContact CB-CD1 4.18Å; F215-L257 HydrophobicContact CB-CD2 4.34Å; F215-L257 HydrophobicContact CD1-CD1 4.25Å; F215-L257 HydrophobicContact CD1-CD2 3.62Å; F215-L257 HydrophobicContact CD1-CG 4.49Å; F215-L257 HydrophobicContact CD2-CD1 3.86Å; F215-L257 HydrophobicContact CE1-CD2 4.03Å; F215-L257 HydrophobicContact CE2-CD1 4.3Å; F215-L257 HydrophobicContact CG-CD1 3.83Å; F215-L257 HydrophobicContact CG-CD2 3.97Å; I223-L257 HydrophobicContact CG2-CD2 4.09Å; L238-L257 HydrophobicContact CD1-CD2 4.2Å; L248-L257 HydrophobicContact CB-CD1 4.49Å; L248-L257 HydrophobicContact CD2-CD1 4.42Å; L248-L257 HydrophobicContact CD2-CD2 4.25Å; L248-L257 HydrophobicContact CD2-CG 4.45Å; Y250-L257 HydrophobicContact CD2-CB 4.35Å; Y250-L257 HydrophobicContact CD2-CD1 4.43Å; L257-I268 WeakPolarHBondContact O-CA 3.21Å; L257-W269 HydrophobicContact CB-CB 4.09Å; L257-W269 HydrophobicContact CB-CG 4.38Å; L257-W269 HydrophobicContact CD2-CG 4.42Å; L257-W269 PolarHBondContact N-O 3.17Å; L257-W269 VanDerWaalsContact N-O 3.09Å; L257-W269 PolarHBondContact O-N 2.75Å; L257-M271 HydrophobicContact CB-CG 4.1Å; L257-M271 HydrophobicContact CB-SD 4.29Å
258I97.9Very high95.2Very high0 Ų025 Ų250%013%0.131CC..EExtended strand (participates in β ladder)trans-104.9124.6172-51.8177.6000106.9L248 C249 I266 V267 I268 M372 Y374 L381 V399L248-I258 WeakPolarHBondContact CA-O 3.28Å; C249-I258 PolarHBondContact N-O 2.92Å; C249-I258 PolarHBondContact O-N 2.95Å; I258-I266 HydrophobicContact CG2-CG2 4.04Å; I258-V267 WeakPolarHBondContact CA-O 3.41Å; I258-I268 HydrophobicContact CB-CD1 4.21Å; I258-I268 HydrophobicContact CD1-CD1 4.5Å; I258-I268 HydrophobicContact CG1-CD1 3.85Å; I258-I268 HydrophobicContact CG2-CD1 3.85Å; I258-M372 HydrophobicContact CB-CE 4.17Å; I258-M372 HydrophobicContact CG2-CE 3.69Å; I258-Y374 HydrophobicContact CD1-CD1 4.2Å; I258-Y374 HydrophobicContact CD1-CD2 3.76Å; I258-Y374 HydrophobicContact CD1-CE1 4.25Å; I258-Y374 HydrophobicContact CD1-CE2 3.82Å; I258-Y374 HydrophobicContact CD1-CG 3.95Å; I258-L381 HydrophobicContact CG2-CD2 4.35Å; I258-V399 HydrophobicContact CD1-CG2 3.85Å; I258-V399 HydrophobicContact CG1-CG2 4.31Å
259S98.1Very high95.2Very high0 Ų024.2 Ų24.20%013%0.126CC..EExtended strand (participates in β ladder)trans-124.3144173.665.40000111.7I223 H241 G247 L248 I266 V267 W269I223-S259 VanDerWaalsContact CD1-CB 3.42Å; I223-S259 WeakPolarHBondContact CD1-OG 3.46Å; H241-S259 WeakPolarHBondContact NE2-CB 3.28Å; H241-S259 PolarHBondContact NE2-OG 3.32Å; G247-S259 WeakPolarHBondContact O-CA 3.21Å; L248-S259 VanDerWaalsContact CD2-CB 3.47Å; S259-I266 CarbonylContact O-C 3.47Å; S259-I266 WeakPolarHBondContact O-CA 3.47Å; S259-V267 PolarHBondContact N-O 3.42Å; S259-V267 PolarHBondContact O-N 3.33Å; S259-W269 PolarHBondContact OG-NE1 3.01Å
260C97.3Very high95.1Very high0 Ų025.6 Ų25.60%013%0.132CC..EExtended strand (participates in β ladder)trans-124.2142.1179.2-70.60000109.9Q246 G247 I369 M372Q246-C260 PolarHBondContact N-O 2.78Å; G247-C260 PolarHBondContact N-O 2.78Å; G247-C260 PolarHBondContact O-N 2.86Å; G247-C260 VanDerWaalsContact O-N 3.08Å; C260-I369 HydrophobicContact CB-CB 4.37Å; C260-I369 HydrophobicContact CB-CD1 3.6Å; C260-I369 HydrophobicContact CB-CG2 3.92Å; C260-M372 HydrophobicContact CB-CB 4.36Å; C260-M372 HydrophobicContact CB-CG 4.46Å; C260-M372 HydrophobicContact CB-SD 3.65Å; C260-M372 PolarHBondContact SG-SD 3.3Å
261S97.1Very high95Very high0 Ų025.3 Ų25.30%013%0.132CC..EExtended strand (participates in β ladder)trans-128.6157.5-176.4166.60000112.9H241 D243 K244 D263 G264 S265 I369H241-S261 WeakPolarHBondContact ND1-CB 3.5Å; D243-S261 PolarHBondContact O-OG 2.95Å; K244-S261 CarbonylContact O-C 3.56Å; K244-S261 VanDerWaalsContact O-CA 3.27Å; K244-S261 WeakPolarHBondContact O-CA 3.34Å; K244-S261 PolarHBondContact O-OG 3.09Å; S261-D263 WeakPolarHBondContact CB-OD1 3.36Å; S261-D263 PolarHBondContact O-N 3.05Å; S261-D263 PolarHBondContact OG-N 3.33Å; S261-D263 VanDerWaalsContact OG-N 3.16Å; S261-D263 PolarHBondContact OG-OD1 2.67Å; S261-D263 VanDerWaalsContact OG-OD1 3.05Å; S261-D263 PolarHBondContact OG-OD2 3.27Å; S261-G264 PolarHBondContact O-N 2.58Å; S261-S265 PolarHBondContact N-O 2.85Å; S261-S265 VanDerWaalsContact N-O 3.12Å; S261-I369 WeakPolarHBondContact O-CB 3.46Å; S261-I369 PolarHBondContact O-N 3.45Å
262S96.9Very high94.9Very high20 Ų2029.5 Ų29.514%0.1416%0.155CC..THydrogen-bonded Turntrans-62.1-16.8171.1-70.80000113.9K244 Q246 G264 N368K244-S262 PolarHBondContact O-N 3.43Å; Q246-S262 VanDerWaalsContact CG-OG 3.24Å; Q246-S262 WeakPolarHBondContact CG-OG 3.45Å; Q246-S262 PolarHBondContact NE2-OG 2.96Å; S262-G264 PolarHBondContact O-N 3.25Å; S262-N368 VanDerWaalsContact O-CB 3.26Å; S262-N368 WeakPolarHBondContact O-CB 3.17Å; S262-N368 PolarHBondContact O-OD1 2.59Å
263D94.7Very high95Very high47 Ų4727.7 Ų27.725%0.25114%0.14SC..THydrogen-bonded Turntrans-72.9-4.8170.861.625.9000113.5H241 N242 D243 S261 S265H241-D263 IonicContact ND1-OD2 3.87Å; N242-D263 HydrophobicContact CB-CB 4.41Å; N242-D263 PolarHBondContact N-OD2 3.25Å; D243-D263 HydrophobicContact CB-CB 3.81Å; D243-D263 PolarHBondContact N-OD2 3.45Å; S261-D263 WeakPolarHBondContact CB-OD1 3.36Å; S261-D263 PolarHBondContact O-N 3.05Å; S261-D263 PolarHBondContact OG-N 3.33Å; S261-D263 VanDerWaalsContact OG-N 3.16Å; S261-D263 PolarHBondContact OG-OD1 2.67Å; S261-D263 VanDerWaalsContact OG-OD1 3.05Å; S261-D263 PolarHBondContact OG-OD2 3.27Å; D263-S265 VanDerWaalsContact C-N 3.35Å; D263-S265 VanDerWaalsContact CG-OG 3.31Å; D263-S265 WeakPolarHBondContact OD1-CA 3.3Å; D263-S265 WeakPolarHBondContact OD1-CB 3.44Å; D263-S265 PolarHBondContact OD1-N 3.25Å; D263-S265 PolarHBondContact OD1-OG 3.24Å; D263-S265 PolarHBondContact OD2-OG 3.19Å
264G95.4Very high95.1Very high3 Ų327.7 Ų27.73%0.03115%0.148CC..SBendtrans83.74.8-179.300000115S261 S262 S365 H367S261-G264 PolarHBondContact O-N 2.58Å; S262-G264 PolarHBondContact O-N 3.25Å; G264-S365 WeakPolarHBondContact O-CB 3.35Å; G264-S365 PolarHBondContact O-N 3.37Å; G264-S365 PolarHBondContact O-OG 3.1Å; G264-H367 WeakPolarHBondContact CA-O 3.24Å
265S96.3Very high95.1Very high19 Ų1928 Ų2813%0.13315%0.148CC..EExtended strand (participates in β ladder)trans-82.3141.5174.466.60000112.5H241 S261 D263 H363H241-S265 PolarHBondContact CE1-OG 3.08Å; H241-S265 PolarHBondContact ND1-OG 2.81Å; S261-S265 PolarHBondContact N-O 2.85Å; S261-S265 VanDerWaalsContact N-O 3.12Å; D263-S265 VanDerWaalsContact C-N 3.35Å; D263-S265 VanDerWaalsContact CG-OG 3.31Å; D263-S265 WeakPolarHBondContact OD1-CA 3.3Å; D263-S265 WeakPolarHBondContact OD1-CB 3.44Å; D263-S265 PolarHBondContact OD1-N 3.25Å; D263-S265 PolarHBondContact OD1-OG 3.24Å; D263-S265 PolarHBondContact OD2-OG 3.19Å; S265-H363 CarbonylContact C-O 3.58Å; S265-H363 WeakPolarHBondContact CA-O 3.24Å
266I97.4Very high95.1Very high0 Ų027.3 Ų27.30%015%0.149CC..EExtended strand (participates in β ladder)trans-110.3120.7164.5-58.7164.7000106.1I258 S259 I268 H363 I369 L381 T383 M395I258-I266 HydrophobicContact CG2-CG2 4.04Å; S259-I266 CarbonylContact O-C 3.47Å; S259-I266 WeakPolarHBondContact O-CA 3.47Å; I266-I268 HydrophobicContact CG2-CD1 4.15Å; I266-H363 HydrophobicContact CB-CB 4.41Å; I266-H363 PolarHBondContact N-O 2.75Å; I266-H363 PolarHBondContact O-N 3.02Å; I266-I369 HydrophobicContact CG1-CD1 3.85Å; I266-L381 HydrophobicContact CD1-CD2 3.86Å; I266-L381 HydrophobicContact CG1-CD2 4.37Å; I266-L381 HydrophobicContact CG2-CD2 4.02Å; I266-T383 HydrophobicContact CD1-CG2 4.37Å; I266-M395 HydrophobicContact CG2-CE 3.94Å
267V97.4Very high94.8Very high0 Ų030.6 Ų30.60%017%0.165CC..EExtended strand (participates in β ladder)trans-114.8130.1-178.1-175.50000109.2H241 I258 S259 W269 A360 T361 F362H241-V267 WeakPolarHBondContact CE1-CG2 3.15Å; I258-V267 WeakPolarHBondContact CA-O 3.41Å; S259-V267 PolarHBondContact N-O 3.42Å; S259-V267 PolarHBondContact O-N 3.33Å; V267-W269 HydrophobicContact CB-CZ2 4.29Å; V267-W269 HydrophobicContact CG1-CD2 4.02Å; V267-W269 VanDerWaalsContact CG1-CE2 3.48Å; V267-W269 HydrophobicContact CG1-CG 4.44Å; V267-W269 HydrophobicContact CG1-CH2 4.3Å; V267-W269 HydrophobicContact CG1-CZ2 3.65Å; V267-A360 HydrophobicContact CG1-CB 3.74Å; V267-T361 WeakPolarHBondContact CA-O 3.48Å; V267-F362 HydrophobicContact CB-CD1 4.48Å; V267-F362 HydrophobicContact CB-CE1 4.43Å; V267-F362 HydrophobicContact CG1-CD1 4.24Å; V267-F362 HydrophobicContact CG1-CE1 3.88Å; V267-F362 HydrophobicContact CG1-CZ 4.2Å; V267-F362 HydrophobicContact CG2-CD1 3.49Å; V267-F362 VanDerWaalsContact CG2-CD1 3.49Å; V267-F362 HydrophobicContact CG2-CE1 3.6Å; V267-F362 HydrophobicContact CG2-CG 4.45Å
268I97.4Very high94.4Very high6 Ų632.3 Ų32.33%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-107.8111.5176.8-46.6-60.6000107.7Q256 L257 I258 I266 A360 T361 M395 V398 V399Q256-I268 HydrophobicContact CB-CG2 4.1Å; Q256-I268 HydrophobicContact CG-CG2 4.25Å; L257-I268 WeakPolarHBondContact O-CA 3.21Å; I258-I268 HydrophobicContact CB-CD1 4.21Å; I258-I268 HydrophobicContact CD1-CD1 4.5Å; I258-I268 HydrophobicContact CG1-CD1 3.85Å; I258-I268 HydrophobicContact CG2-CD1 3.85Å; I266-I268 HydrophobicContact CG2-CD1 4.15Å; I268-A360 CarbonylContact O-C 3.5Å; I268-A360 WeakPolarHBondContact O-CA 3.48Å; I268-A360 WeakPolarHBondContact O-CB 3.28Å; I268-T361 PolarHBondContact N-O 2.74Å; I268-T361 PolarHBondContact O-N 2.91Å; I268-M395 HydrophobicContact CD1-CE 3.57Å; I268-M395 HydrophobicContact CG1-CE 4.43Å; I268-V398 HydrophobicContact CG1-CB 4.49Å; I268-V398 HydrophobicContact CG1-CG2 4.26Å; I268-V399 HydrophobicContact CD1-CG2 4.28Å
269W97Very high94.1Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-94.4126.9-179.4-50.784.1000109.8I223 L238 Q256 L257 S259 V267 M271 E338 A360I223-W269 HydrophobicContact CD1-CZ2 4.04Å; L238-W269 HydrophobicContact CB-CD2 4.44Å; L238-W269 HydrophobicContact CB-CE3 4.08Å; L238-W269 HydrophobicContact CB-CH2 3.9Å; L238-W269 HydrophobicContact CB-CZ2 4.27Å; L238-W269 HydrophobicContact CB-CZ3 3.8Å; L238-W269 HydrophobicContact CD1-CD2 4.31Å; L238-W269 HydrophobicContact CD1-CE3 4.35Å; L238-W269 HydrophobicContact CD2-CE3 4.12Å; L238-W269 HydrophobicContact CD2-CZ3 4.31Å; L238-W269 HydrophobicContact CG-CE3 4.42Å; Q256-W269 VanDerWaalsContact CA-O 3.28Å; Q256-W269 WeakPolarHBondContact CA-O 3.49Å; L257-W269 HydrophobicContact CB-CB 4.09Å; L257-W269 HydrophobicContact CB-CG 4.38Å; L257-W269 HydrophobicContact CD2-CG 4.42Å; L257-W269 PolarHBondContact N-O 3.17Å; L257-W269 VanDerWaalsContact N-O 3.09Å; L257-W269 PolarHBondContact O-N 2.75Å; S259-W269 PolarHBondContact OG-NE1 3.01Å; V267-W269 HydrophobicContact CB-CZ2 4.29Å; V267-W269 HydrophobicContact CG1-CD2 4.02Å; V267-W269 VanDerWaalsContact CG1-CE2 3.48Å; V267-W269 HydrophobicContact CG1-CG 4.44Å; V267-W269 HydrophobicContact CG1-CH2 4.3Å; V267-W269 HydrophobicContact CG1-CZ2 3.65Å; W269-M271 HydrophobicContact CB-SD 3.85Å; W269-M271 PolarHBondContact O-N 2.93Å; W269-E338 HydrophobicContact CH2-CG 4.24Å; W269-E338 HydrophobicContact CZ3-CG 3.74Å; W269-A360 HydrophobicContact CD2-CB 4.02Å; W269-A360 HydrophobicContact CE3-CB 3.65Å; W269-A360 HydrophobicContact CZ3-CB 4.01Å
270N94.7Very high93.6Very high60 Ų6042.6 Ų42.632%0.32123%0.227SC..EExtended strand (participates in β ladder)trans-74.7120.5166.7-175-9.2000108.7D272 V273 R275 T359N270-D272 WeakPolarHBondContact OD1-CB 3.45Å; N270-D272 PolarHBondContact OD1-N 3.45Å; N270-V273 HydrophobicContact CB-CG1 4.47Å; N270-V273 WeakPolarHBondContact O-CG2 3.25Å; N270-R275 PolarHBondContact O-NH2 2.82Å; N270-R275 VanDerWaalsContact O-NH2 3.14Å; N270-T359 WeakPolarHBondContact CB-O 3.35Å; N270-T359 PolarHBondContact N-O 3.5Å
271M93.4Very high93.2Very high28 Ų2849.7 Ų49.714%0.13825%0.254CS..  trans-103.92.5178.5-53-54.9-5400113.5F215 M225 L238 Y250 R255 L257 W269 V273F215-M271 HydrophobicContact CE1-CE 3.61Å; F215-M271 HydrophobicContact CE1-SD 4.26Å; F215-M271 HydrophobicContact CZ-CE 3.96Å; F215-M271 HydrophobicContact CZ-CG 4.37Å; M225-M271 HydrophobicContact CE-CE 4.49Å; M225-M271 HydrophobicContact CG-CE 4.49Å; M225-M271 HydrophobicContact SD-CE 3.26Å; M225-M271 WeakPolarHBondContact SD-CE 3.18Å; L238-M271 HydrophobicContact CD1-SD 4.37Å; Y250-M271 HydrophobicContact CE2-CB 4.35Å; Y250-M271 HydrophobicContact CE2-CG 4.11Å; R255-M271 WeakPolarHBondContact O-CB 3.28Å; R255-M271 PolarHBondContact O-N 3.23Å; R255-M271 VanDerWaalsContact O-N 3.11Å; L257-M271 HydrophobicContact CB-CG 4.1Å; L257-M271 HydrophobicContact CB-SD 4.29Å; W269-M271 HydrophobicContact CB-SD 3.85Å; W269-M271 PolarHBondContact O-N 2.93Å; M271-V273 VanDerWaalsContact C-N 3.28Å
272D90.6Very high92.8Very high89 Ų8953.5 Ų53.548%0.47627%0.274SS..SBendtrans-79.3-12.2170.5-82.2-41.1000113R255 N270R255-D272 WeakPolarHBondContact CD-OD1 3.44Å; R255-D272 IonicContact CZ-OD1 3.08Å; R255-D272 IonicContact NE-OD1 3.59Å; R255-D272 IonicContact NH1-OD1 3.72Å; R255-D272 PolarHBondContact NH1-OD1 2.9Å; N270-D272 WeakPolarHBondContact OD1-CB 3.45Å; N270-D272 PolarHBondContact OD1-N 3.45Å
273V90.8Very high92.2Very high41 Ų4158.8 Ų58.825%0.24830%0.3CS..SBendtrans-75.8138.2176.6-57.50000110.9N270 M271 R275 T359N270-V273 HydrophobicContact CB-CG1 4.47Å; N270-V273 WeakPolarHBondContact O-CG2 3.25Å; M271-V273 VanDerWaalsContact C-N 3.28Å; V273-R275 HydrophobicContact CG2-CG 3.91Å; V273-R275 PolarHBondContact O-N 3.12Å; V273-R275 VanDerWaalsContact O-N 3.13Å; V273-T359 HydrophobicContact CG1-CG2 4.35Å; V273-T359 HydrophobicContact CG2-CG2 4.02Å
274T89.6Confident91.7Very high116 Ų11657.9 Ų57.971%0.71230%0.298SS*.  trans-77.8101.9173.6-58.80000109.4
275R90.9Very high91.1Very high21 Ų2163.7 Ų63.78%0.07933%0.328CS..  trans-82158.5177.7-63-177.1-179.4-78.2-3.5112I236 L238 N270 V273 P333 L334 T359I236-R275 HydrophobicContact CD1-CB 3.87Å; I236-R275 HydrophobicContact CG1-CB 4.48Å; I236-R275 HydrophobicContact CG2-CB 3.8Å; I236-R275 HydrophobicContact CG2-CG 4.4Å; L238-R275 VanDerWaalsContact CD2-CZ 3.46Å; N270-R275 PolarHBondContact O-NH2 2.82Å; N270-R275 VanDerWaalsContact O-NH2 3.14Å; V273-R275 HydrophobicContact CG2-CG 3.91Å; V273-R275 PolarHBondContact O-N 3.12Å; V273-R275 VanDerWaalsContact O-N 3.13Å; R275-P333 PolarHBondContact NH1-O 3.16Å; R275-L334 CarbonylContact C-O 3.51Å; R275-L334 VanDerWaalsContact CA-O 3.28Å; R275-L334 WeakPolarHBondContact CA-O 3.49Å; R275-L334 WeakPolarHBondContact CB-O 3.28Å; R275-T359 VanDerWaalsContact CZ-OG1 3.31Å; R275-T359 PolarHBondContact NH1-OG1 2.95Å; R275-T359 VanDerWaalsContact NH2-CB 3.33Å; R275-T359 PolarHBondContact NH2-OG1 3.19Å
276Q91.1Very high90.6Very high100 Ų10064.8 Ų64.847%0.46734%0.336SS..  trans-114.8141.7179.1-62.8176.332.200109.6L334 M335Q276-L334 PolarHBondContact N-O 3.44Å; Q276-M335 HydrophobicContact CB-CG 4.16Å
277E90.3Very high90.1Very high93 Ų9364.8 Ų64.844%0.43534%0.336SS..PPolyproline II helixtrans-67.3149.1171.8-63.8-170134.500110.8T234 A235 I236T234-E277 WeakPolarHBondContact CA-OE1 3.3Å; T234-E277 WeakPolarHBondContact CB-OE1 3.42Å; T234-E277 HydrophobicContact CG2-CG 4.36Å; T234-E277 VanDerWaalsContact CG2-OE1 3.23Å; T234-E277 WeakPolarHBondContact CG2-OE1 3.41Å; A235-E277 PolarHBondContact N-OE1 3.27Å; I236-E277 HydrophobicContact CG1-CG 4.16Å
278T88.6Confident89.8Confident36 Ų3668.1 Ų68.122%0.22135%0.351CS..PPolyproline II helixtrans-77.4136.9171.963.10000109.9R315 M335 F337T278-R315 PolarHBondContact OG1-NH1 3.43Å; T278-M335 HydrophobicContact CG2-CB 4.41Å; T278-F337 HydrophobicContact CG2-CE2 3.52Å; T278-F337 HydrophobicContact CG2-CZ 3.66Å
279P90.5Very high89.5Confident41 Ų4172 Ų7227%0.26637%0.368SS..PPolyproline II helixtrans-64.1147176.127.9-35.1000111K316 C317 G318P279-K316 WeakPolarHBondContact CG-O 3.39Å; P279-C317 VanDerWaalsContact CG-C 3.45Å; P279-G318 VanDerWaalsContact CG-N 3.34Å
280E88.4Confident89.2Confident174 Ų17474.2 Ų74.281%0.81338%0.383SS*.PPolyproline II helixtrans-59146.8171.1-66.6-172.716600110.8L282 G318E280-L282 PolarHBondContact O-N 3.18Å; E280-G318 WeakPolarHBondContact O-CA 3.24Å
281W89.8Confident88.8Confident150 Ų15079.1 Ų79.157%0.56840%0.404SS*.PPolyproline II helixtrans-72.3127.4174.8-67.7-5.2000109.8H313 G318W281-H313 HydrophobicContact CD2-CB 4.14Å; W281-H313 AromaticContact CD2-CG 3.81Å; W281-H313 AromaticContact CD2-ND1 3.63Å; W281-H313 AromaticContact CE3-CE1 3.9Å; W281-H313 AromaticContact CE3-ND1 3.59Å; W281-H313 HydrophobicContact CG-CB 4.03Å; W281-H313 AromaticContact CG-CG 3.73Å; W281-H313 AromaticContact CG-ND1 3.99Å; W281-G318 WeakPolarHBondContact CA-O 3.47Å
282L88.5Confident88.4Confident79 Ų7983.6 Ų83.641%0.41443%0.425SS..PPolyproline II helixtrans-87.8124.4173.8-59.9177.4000108.7E280 G318 Q319 A320E280-L282 PolarHBondContact O-N 3.18Å; L282-G318 PolarHBondContact N-O 3.06Å; L282-Q319 HydrophobicContact CD1-CG 4.09Å; L282-A320 VanDerWaalsContact O-CB 3.25Å; L282-A320 WeakPolarHBondContact O-CB 3.37Å
283D83.4Confident88Confident131 Ų13182 Ų8270%0.70142%0.419SS*.PPolyproline II helixtrans-82.4136.5170.9-74.1-39.9000110.8Q311D283-Q311 PolarHBondContact OD1-NE2 3.19Å
284S84.3Confident87.3Confident28 Ų2880.6 Ų80.620%0.19641%0.41CS..  trans-153.2144.2177.1-178.50000110.3S286 F294 Q311S284-S286 VanDerWaalsContact CB-O 3.27Å; S284-S286 WeakPolarHBondContact CB-O 3.34Å; S284-S286 PolarHBondContact O-N 3.46Å; S284-S286 PolarHBondContact OG-N 3.3Å; S284-S286 PolarHBondContact OG-O 3.24Å; S284-F294 VanDerWaalsContact O-CD2 3.25Å; S284-F294 WeakPolarHBondContact O-CD2 3.48Å; S284-F294 WeakPolarHBondContact O-CE2 3.14Å; S284-Q311 PolarHBondContact O-OE1 3.44Å
285D82.8Confident86.1Confident126 Ų12681.7 Ų81.767%0.67441%0.405SS*.SBendtrans-76.6-14173.8-66.9-38.2000112.5F294D285-F294 WeakPolarHBondContact O-CD2 3.18Å; D285-F294 PolarHBondContact O-N 3.36Å; D285-F294 VanDerWaalsContact O-N 3.16Å
286S85.9Confident84.6Confident41 Ų4183.8 Ų83.829%0.28741%0.413SS..BIsolated β-bridgetrans-130.4154.9178.564.90000112.7S284 Q288 Q292 F294S284-S286 VanDerWaalsContact CB-O 3.27Å; S284-S286 WeakPolarHBondContact CB-O 3.34Å; S284-S286 PolarHBondContact O-N 3.46Å; S284-S286 PolarHBondContact OG-N 3.3Å; S284-S286 PolarHBondContact OG-O 3.24Å; S286-Q288 PolarHBondContact O-N 2.87Å; S286-Q292 WeakPolarHBondContact CA-O 3.27Å; S286-F294 VanDerWaalsContact C-CE2 3.4Å; S286-F294 WeakPolarHBondContact O-CE2 3.43Å
287C86.9Confident82.8Confident0 Ų083.4 Ų83.40%041%0.414CS..  trans-60.2119.9175.1-1800000110.1K289 C290 E291 Q292 F294 C322C287-K289 PolarHBondContact O-N 3.24Å; C287-C290 PolarHBondContact O-N 2.83Å; C287-E291 WeakPolarHBondContact O-CA 3.45Å; C287-E291 PolarHBondContact O-N 2.72Å; C287-Q292 WeakPolarHBondContact CB-O 2.93Å; C287-Q292 PolarHBondContact N-O 2.96Å; C287-F294 HydrophobicContact CB-CE1 4.32Å; C287-F294 HydrophobicContact CB-CZ 4.32Å; C287-C322 HydrophobicContact CB-CB 4.04Å; C287-C322 PolarHBondContact SG-N 2.85Å
288Q90.6Very high81.4Confident70 Ų7085.3 Ų85.333%0.32742%0.421SS..THydrogen-bonded Turntrans-72.13.8-179.5-63-177.1-55.200113.8S286 Q319 A320S286-Q288 PolarHBondContact O-N 2.87Å; Q288-Q319 HydrophobicContact CB-CB 4.33Å; Q288-A320 PolarHBondContact N-O 3.38Å
289K90.8Very high80Confident87 Ų8790.9 Ų90.938%0.37844%0.442SS..THydrogen-bonded Turntrans-108.3-39.5175.1-65.5-57.5-164-1680114C287 V321 C325 C344 S346C287-K289 PolarHBondContact O-N 3.24Å; K289-V321 HydrophobicContact CG-CG1 3.71Å; K289-C325 HydrophobicContact CB-CB 3.87Å; K289-C325 HydrophobicContact CG-CB 4.28Å; K289-C344 WeakPolarHBondContact CE-SG 3.48Å; K289-C344 HydrophobicContact CG-CB 4.47Å; K289-S346 VanDerWaalsContact CE-OG 3.3Å; K289-S346 WeakPolarHBondContact CE-OG 3.43Å; K289-S346 PolarHBondContact NZ-OG 2.74Å; K289-S346 VanDerWaalsContact NZ-OG 3.14Å
290C90.7Very high78.2Confident48 Ų4893.6 Ų93.632%0.32445%0.451SS..THydrogen-bonded Turntrans-123.24.5-176.368.70000113.9C287 Q292C287-C290 PolarHBondContact O-N 2.83Å; C290-Q292 HydrophobicContact CB-CG 4.47Å; C290-Q292 PolarHBondContact O-N 2.9Å
291E88Confident76.9Confident162 Ų16286 Ų8676%0.75742%0.416SS*.  trans61.44.7177.7-56.8176.1-179.200114.8C287C287-E291 WeakPolarHBondContact O-CA 3.45Å; C287-E291 PolarHBondContact O-N 2.72Å
292Q84.3Confident75.8Confident123 Ų12388 Ų8858%0.57542%0.423SS*.  trans-72.1132.7177.5-64.9-62.4-54.200110.8S286 C287 C290S286-Q292 WeakPolarHBondContact CA-O 3.27Å; C287-Q292 WeakPolarHBondContact CB-O 2.93Å; C287-Q292 PolarHBondContact N-O 2.96Å; C290-Q292 HydrophobicContact CB-CG 4.47Å; C290-Q292 PolarHBondContact O-N 2.9Å
293P82Confident74.7Confident56 Ų5690 Ų9036%0.36444%0.435SS..BIsolated β-bridgetrans-61.4149.2175.725.9-36.5000112.6F295P293-F295 HydrophobicContact CB-CD2 4.17Å; P293-F295 HydrophobicContact CB-CE2 3.78Å; P293-F295 HydrophobicContact CB-CZ 3.95Å; P293-F295 HydrophobicContact CG-CD2 3.65Å; P293-F295 HydrophobicContact CG-CE2 3.1Å; P293-F295 HydrophobicContact CG-CZ 3.68Å; P293-F295 PolarHBondContact O-N 2.99Å
294F76.5Confident73.7Confident11 Ų1186.4 Ų86.45%0.04842%0.42CS..  trans-75.884.2178-67.8-63.3000112.2S284 D285 S286 C287 L309 Q311 A320 C322S284-F294 VanDerWaalsContact O-CD2 3.25Å; S284-F294 WeakPolarHBondContact O-CD2 3.48Å; S284-F294 WeakPolarHBondContact O-CE2 3.14Å; D285-F294 WeakPolarHBondContact O-CD2 3.18Å; D285-F294 PolarHBondContact O-N 3.36Å; D285-F294 VanDerWaalsContact O-N 3.16Å; S286-F294 VanDerWaalsContact C-CE2 3.4Å; S286-F294 WeakPolarHBondContact O-CE2 3.43Å; C287-F294 HydrophobicContact CB-CE1 4.32Å; C287-F294 HydrophobicContact CB-CZ 4.32Å; F294-L309 HydrophobicContact CB-CD2 4.27Å; F294-L309 HydrophobicContact CD2-CD2 4.22Å; F294-Q311 HydrophobicContact CD1-CB 4.21Å; F294-Q311 HydrophobicContact CD2-CB 3.94Å; F294-Q311 HydrophobicContact CE1-CB 4.04Å; F294-Q311 HydrophobicContact CE2-CB 3.77Å; F294-Q311 HydrophobicContact CG-CB 4.18Å; F294-Q311 HydrophobicContact CZ-CB 3.83Å; F294-A320 HydrophobicContact CE2-CB 4Å; F294-A320 HydrophobicContact CZ-CB 3.89Å; F294-C322 HydrophobicContact CD1-CB 4.45Å; F294-C322 HydrophobicContact CE1-CB 4.11Å
295F64.5Low72.6Confident138 Ų13894.4 Ų94.461%0.60545%0.451SS*.  trans-96.6129.4172.2-62.6-58.8000112.7P293 M301P293-F295 HydrophobicContact CB-CD2 4.17Å; P293-F295 HydrophobicContact CB-CE2 3.78Å; P293-F295 HydrophobicContact CB-CZ 3.95Å; P293-F295 HydrophobicContact CG-CD2 3.65Å; P293-F295 HydrophobicContact CG-CE2 3.1Å; P293-F295 HydrophobicContact CG-CZ 3.68Å; P293-F295 PolarHBondContact O-N 2.99Å; F295-M301 HydrophobicContact CB-CE 4.4Å; F295-M301 HydrophobicContact CD1-CE 4.32Å; F295-M301 HydrophobicContact CD1-SD 4.41Å
296W59.5Low71.2Confident65 Ų6595.9 Ų95.925%0.24645%0.452CS..  trans-122.3133.6160.364-80.3000110.9Q300 M301 G308 R310W296-Q300 HydrophobicContact CH2-CG 4.45Å; W296-Q300 HydrophobicContact CZ3-CB 4.49Å; W296-Q300 HydrophobicContact CZ3-CG 4.17Å; W296-M301 HydrophobicContact CB-CE 4.39Å; W296-M301 HydrophobicContact CD2-CE 4.35Å; W296-M301 HydrophobicContact CG-CE 3.84Å; W296-M301 WeakPolarHBondContact O-CE 3.45Å; W296-M301 WeakPolarHBondContact O-CG 3.45Å; W296-G308 PolarHBondContact NE1-O 3.02Å; W296-R310 HydrophobicContact CB-CB 4.46Å; W296-R310 HydrophobicContact CG-CB 4.29Å; W296-R310 HydrophobicContact CG-CG 4.08Å
297N52.6Low69.8Low93 Ų93100.5 Ų100.550%0.49747%0.472SS..  trans3782.2178-165.9-2.5000115.5K299 Q300 M301N297-K299 PolarHBondContact O-N 2.85Å; N297-K299 VanDerWaalsContact O-N 3.07Å; N297-Q300 HydrophobicContact CB-CB 4.11Å; N297-Q300 PolarHBondContact ND2-OE1 3.08Å; N297-Q300 VanDerWaalsContact ND2-OE1 3.11Å; N297-Q300 PolarHBondContact O-N 2.83Å; N297-M301 PolarHBondContact O-N 2.86Å; N297-M301 VanDerWaalsContact O-N 3.13Å
298F60.3Low68.1Low133 Ų133101.3 Ų101.358%0.58348%0.48SS*.Hα-helixtrans-49.8-38.4-176.7-164.2-94.2000113.8W302F298-W302 AromaticContact CE1-CE3 3.97Å; F298-W302 HydrophobicContact CE1-CE3 3.97Å; F298-W302 HydrophobicContact CE1-CZ3 4.39Å; F298-W302 HydrophobicContact CZ-CE3 4.05Å; F298-W302 HydrophobicContact CZ-CZ3 4.16Å; F298-W302 WeakPolarHBondContact O-CB 3.04Å; F298-W302 PolarHBondContact O-N 2.8Å; F298-W302 VanDerWaalsContact O-N 3.07Å
299K59.7Low66.5Low153 Ų153102.1 Ų102.167%0.66549%0.487SS*.Hα-helixtrans-63.9-45.1179.1-168173.1-177.3176.30112N297 W302 D303N297-K299 PolarHBondContact O-N 2.85Å; N297-K299 VanDerWaalsContact O-N 3.07Å; K299-W302 PolarHBondContact O-N 2.84Å; K299-D303 WeakPolarHBondContact O-CB 3.49Å; K299-D303 PolarHBondContact O-N 2.91Å
300Q53.1Low65.3Low97 Ų97106.4 Ų106.445%0.45350%0.5SS..Hα-helixtrans-73.1-31.6-178.7-166.9171.67.900112.9W296 N297 S304W296-Q300 HydrophobicContact CH2-CG 4.45Å; W296-Q300 HydrophobicContact CZ3-CB 4.49Å; W296-Q300 HydrophobicContact CZ3-CG 4.17Å; N297-Q300 HydrophobicContact CB-CB 4.11Å; N297-Q300 PolarHBondContact ND2-OE1 3.08Å; N297-Q300 VanDerWaalsContact ND2-OE1 3.11Å; N297-Q300 PolarHBondContact O-N 2.83Å; Q300-S304 WeakPolarHBondContact O-CB 3.39Å; Q300-S304 PolarHBondContact O-N 2.57Å; Q300-S304 PolarHBondContact O-OG 3.14Å
301M61.6Low64.7Low15 Ų15106.1 Ų106.17%0.07449%0.494CS..Hα-helixtrans-65.7-43.5170.5-72.2-156.4-158.500112.1F295 W296 N297 S304 K305 K306F295-M301 HydrophobicContact CB-CE 4.4Å; F295-M301 HydrophobicContact CD1-CE 4.32Å; F295-M301 HydrophobicContact CD1-SD 4.41Å; W296-M301 HydrophobicContact CB-CE 4.39Å; W296-M301 HydrophobicContact CD2-CE 4.35Å; W296-M301 HydrophobicContact CG-CE 3.84Å; W296-M301 WeakPolarHBondContact O-CE 3.45Å; W296-M301 WeakPolarHBondContact O-CG 3.45Å; N297-M301 PolarHBondContact O-N 2.86Å; N297-M301 VanDerWaalsContact O-N 3.13Å; M301-S304 PolarHBondContact O-N 2.91Å; M301-K305 WeakPolarHBondContact O-CA 3.43Å; M301-K305 PolarHBondContact O-N 2.91Å; M301-K306 PolarHBondContact O-N 2.95Å
302W65.8Low64.7Low191 Ų191101.8 Ų101.872%0.72347%0.474SS*.Hα-helixtrans-65-42.3179.3-159.7-85.4000111.4F298 K299F298-W302 AromaticContact CE1-CE3 3.97Å; F298-W302 HydrophobicContact CE1-CE3 3.97Å; F298-W302 HydrophobicContact CE1-CZ3 4.39Å; F298-W302 HydrophobicContact CZ-CE3 4.05Å; F298-W302 HydrophobicContact CZ-CZ3 4.16Å; F298-W302 WeakPolarHBondContact O-CB 3.04Å; F298-W302 PolarHBondContact O-N 2.8Å; F298-W302 VanDerWaalsContact O-N 3.07Å; K299-W302 PolarHBondContact O-N 2.84Å
303D64.9Low65.1Low122 Ų12297.4 Ų97.465%0.65245%0.453SS*.Hα-helixtrans-68.9-34.6178.8-68.5-21.2000112.9K299K299-D303 WeakPolarHBondContact O-CB 3.49Å; K299-D303 PolarHBondContact O-N 2.91Å
304S62Low65.7Low56 Ų5694.8 Ų94.839%0.39244%0.436SS..Hα-helixtrans-92.1-7.9-179.262.60000114.5Q300 M301 K306Q300-S304 WeakPolarHBondContact O-CB 3.39Å; Q300-S304 PolarHBondContact O-N 2.57Å; Q300-S304 PolarHBondContact O-OG 3.14Å; M301-S304 PolarHBondContact O-N 2.91Å; S304-K306 PolarHBondContact O-N 2.99Å
305K61.7Low66.5Low196 Ų19696 Ų9685%0.85244%0.44SS*.THydrogen-bonded Turntrans46.427.9-168.8-62.1-175-180-179.70113.3M301M301-K305 WeakPolarHBondContact O-CA 3.43Å; M301-K305 PolarHBondContact O-N 2.91Å
306K54.3Low67.9Low156 Ų15691.7 Ų91.768%0.67842%0.421SS*.  trans-115.9116.4176.9-73.7-177.2-179.7-175.80107.9M301 S304 G308M301-K306 PolarHBondContact O-N 2.95Å; S304-K306 PolarHBondContact O-N 2.99Å; K306-G308 VanDerWaalsContact C-N 3.33Å; K306-G308 PolarHBondContact O-N 3.27Å
307I56.2Low69.5Low138 Ų13890.5 Ų90.571%0.70842%0.422SS*.  trans-73.795.6164.4-60.1167.8000105.1
308G51.4Low71.4Confident18 Ų1886 Ų8619%0.18640%0.399CS..  trans-77.9131.117200000108.8W296 K306 R310W296-G308 PolarHBondContact NE1-O 3.02Å; K306-G308 VanDerWaalsContact C-N 3.33Å; K306-G308 PolarHBondContact O-N 3.27Å; G308-R310 PolarHBondContact O-N 3.25Å
309L57.4Low73Confident87 Ų8782.1 Ų82.146%0.45538%0.382SS..  trans-88.8102.4171.8-70.7148.9000107.7F294 Q311F294-L309 HydrophobicContact CB-CD2 4.27Å; F294-L309 HydrophobicContact CD2-CD2 4.22Å; L309-Q311 VanDerWaalsContact C-N 3.29Å; L309-Q311 PolarHBondContact O-N 2.79Å
310R64.6Low74.5Confident177 Ų17774.8 Ų74.867%0.66835%0.35SS*.  trans-93.372.8160.7-80.5-169.2177.7-1720.4108.1W296 G308W296-R310 HydrophobicContact CB-CB 4.46Å; W296-R310 HydrophobicContact CG-CB 4.29Å; W296-R310 HydrophobicContact CG-CG 4.08Å; G308-R310 PolarHBondContact O-N 3.25Å
311Q77.9Confident76.4Confident41 Ų4170.2 Ų70.219%0.19233%0.329CS..  trans-83.2143.4169.762.3-175.610.100110D283 S284 F294 L309 H313 A320D283-Q311 PolarHBondContact OD1-NE2 3.19Å; S284-Q311 PolarHBondContact O-OE1 3.44Å; F294-Q311 HydrophobicContact CD1-CB 4.21Å; F294-Q311 HydrophobicContact CD2-CB 3.94Å; F294-Q311 HydrophobicContact CE1-CB 4.04Å; F294-Q311 HydrophobicContact CE2-CB 3.77Å; F294-Q311 HydrophobicContact CG-CB 4.18Å; F294-Q311 HydrophobicContact CZ-CB 3.83Å; L309-Q311 VanDerWaalsContact C-N 3.29Å; L309-Q311 PolarHBondContact O-N 2.79Å; Q311-H313 PolarHBondContact NE2-CE1 3.34Å; Q311-H313 PolarHBondContact NE2-NE2 2.8Å; Q311-A320 HydrophobicContact CB-CB 4.46Å
312H88.7Confident77.7Confident72 Ų7270.6 Ų70.633%0.33333%0.333SS..EExtended strand (participates in β ladder)trans-106155.1165.8-57.7-61.5000108.5A320 V321H312-A320 CarbonylContact O-C 3.56Å; H312-A320 WeakPolarHBondContact O-CA 3.43Å; H312-V321 HydrophobicContact CB-CG2 4.47Å; H312-V321 WeakPolarHBondContact CB-O 3.37Å; H312-V321 PolarHBondContact N-O 3.43Å; H312-V321 PolarHBondContact O-N 3.44Å
313H91.7Very high78.7Confident31 Ų3163.3 Ų63.314%0.14432%0.317CS..EExtended strand (participates in β ladder)trans-114.1139.1176.1-60.6102.1000110.5W281 Q311 Q319W281-H313 HydrophobicContact CD2-CB 4.14Å; W281-H313 AromaticContact CD2-CG 3.81Å; W281-H313 AromaticContact CD2-ND1 3.63Å; W281-H313 AromaticContact CE3-CE1 3.9Å; W281-H313 AromaticContact CE3-ND1 3.59Å; W281-H313 HydrophobicContact CG-CB 4.03Å; W281-H313 AromaticContact CG-CG 3.73Å; W281-H313 AromaticContact CG-ND1 3.99Å; Q311-H313 PolarHBondContact NE2-CE1 3.34Å; Q311-H313 PolarHBondContact NE2-NE2 2.8Å; H313-Q319 WeakPolarHBondContact CA-O 3.44Å
314C94.3Very high79.9Confident0 Ų066.5 Ų66.50%033%0.325CS..  trans-77124.2169.2175.50000109.4K316 C317 G318 Q319 V321 C344C314-K316 VanDerWaalsContact C-N 3.32Å; C314-K316 PolarHBondContact O-N 2.83Å; C314-C317 VanDerWaalsContact CB-SG 3.51Å; C314-C317 PolarHBondContact SG-SG 2.91Å; C314-G318 WeakPolarHBondContact O-CA 3.49Å; C314-G318 PolarHBondContact O-N 2.67Å; C314-Q319 PolarHBondContact N-O 3.21Å; C314-V321 HydrophobicContact CB-CG2 4.42Å; C314-C344 HydrophobicContact CB-CB 4.09Å; C314-C344 PolarHBondContact SG-N 2.91Å; C314-C344 VanDerWaalsContact SG-SG 3.7Å
315R93.7Very high81.3Confident37 Ų3764.8 Ų64.814%0.1431%0.313CS..THydrogen-bonded Turntrans-69.9-26.1-176.7-154.359.5161.1122.7-8.5114.5E237 T278 F337 V341 R342E237-R315 IonicContact OE1-NH2 3.33Å; E237-R315 PolarHBondContact OE1-NH2 2.92Å; E237-R315 IonicContact OE2-CZ 2.91Å; E237-R315 IonicContact OE2-NH1 3.76Å; E237-R315 IonicContact OE2-NH2 2.81Å; E237-R315 PolarHBondContact OE2-NH2 3.33Å; T278-R315 PolarHBondContact OG1-NH1 3.43Å; R315-F337 HydrophobicContact CG-CD1 4.5Å; R315-F337 HydrophobicContact CG-CD2 3.78Å; R315-F337 HydrophobicContact CG-CE1 4.12Å; R315-F337 HydrophobicContact CG-CE2 3.33Å; R315-F337 HydrophobicContact CG-CG 4.37Å; R315-F337 HydrophobicContact CG-CZ 3.58Å; R315-F337 VanDerWaalsContact NH2-CZ 3.33Å; R315-V341 HydrophobicContact CB-CB 4.04Å; R315-V341 HydrophobicContact CB-CG2 3.78Å; R315-V341 HydrophobicContact CG-CB 4.19Å; R315-V341 HydrophobicContact CG-CG1 4.46Å; R315-V341 HydrophobicContact CG-CG2 4.02Å; R315-R342 WeakPolarHBondContact CB-O 3.33Å; R315-R342 PolarHBondContact N-O 2.83Å
316K93.6Very high82.8Confident48 Ų4855.5 Ų55.521%0.20927%0.272CS..THydrogen-bonded Turntrans-78.6-35.4178.6-169.3174.1-177.9179.90113.7P279 C314 I332 M335 V343 C347 S350 I351P279-K316 WeakPolarHBondContact CG-O 3.39Å; C314-K316 VanDerWaalsContact C-N 3.32Å; C314-K316 PolarHBondContact O-N 2.83Å; K316-I332 HydrophobicContact CB-CD1 3.75Å; K316-I332 HydrophobicContact CG-CD1 4.28Å; K316-M335 HydrophobicContact CG-CE 4.28Å; K316-M335 HydrophobicContact CG-SD 4.29Å; K316-V343 HydrophobicContact CB-CG1 4.32Å; K316-C347 HydrophobicContact CB-CB 4.08Å; K316-C347 HydrophobicContact CD-CB 4.03Å; K316-S350 PolarHBondContact NZ-O 2.66Å; K316-S350 PolarHBondContact NZ-OG 3.45Å; K316-I351 HydrophobicContact CD-CD1 3.99Å; K316-I351 HydrophobicContact CD-CG1 3.67Å
317C93.8Very high84.7Confident39 Ų3952 Ų5226%0.26427%0.268SS..THydrogen-bonded Turntrans-123.2-2.7-171.970.40000115.3P279 C314 Q319P279-C317 VanDerWaalsContact CG-C 3.45Å; C314-C317 VanDerWaalsContact CB-SG 3.51Å; C314-C317 PolarHBondContact SG-SG 2.91Å; C317-Q319 PolarHBondContact O-N 3.27Å
318G93.4Very high86.5Confident0 Ų048.9 Ų48.90%025%0.249CC..  trans75-10.2177.500000115.2P279 E280 W281 L282 C314P279-G318 VanDerWaalsContact CG-N 3.34Å; E280-G318 WeakPolarHBondContact O-CA 3.24Å; W281-G318 WeakPolarHBondContact CA-O 3.47Å; L282-G318 PolarHBondContact N-O 3.06Å; C314-G318 WeakPolarHBondContact O-CA 3.49Å; C314-G318 PolarHBondContact O-N 2.67Å
319Q93.4Very high88.6Confident50 Ų5054.1 Ų54.123%0.23426%0.263CS..  trans-64.4139.7-174.8-70.2-177.6-28.300113.3L282 Q288 H313 C314 C317 V321L282-Q319 HydrophobicContact CD1-CG 4.09Å; Q288-Q319 HydrophobicContact CB-CB 4.33Å; H313-Q319 WeakPolarHBondContact CA-O 3.44Å; C314-Q319 PolarHBondContact N-O 3.21Å; C317-Q319 PolarHBondContact O-N 3.27Å; Q319-V321 HydrophobicContact CB-CG1 4.23Å; Q319-V321 PolarHBondContact O-N 3.5Å
320A91.9Very high90.5Very high0 Ų050.2 Ų50.20%024%0.243CC..EExtended strand (participates in β ladder)trans-71.9119.3167.800000110.2L282 Q288 F294 Q311 H312L282-A320 VanDerWaalsContact O-CB 3.25Å; L282-A320 WeakPolarHBondContact O-CB 3.37Å; Q288-A320 PolarHBondContact N-O 3.38Å; F294-A320 HydrophobicContact CE2-CB 4Å; F294-A320 HydrophobicContact CZ-CB 3.89Å; Q311-A320 HydrophobicContact CB-CB 4.46Å; H312-A320 CarbonylContact O-C 3.56Å; H312-A320 WeakPolarHBondContact O-CA 3.43Å
321V92Very high92Very high0 Ų043.3 Ų43.30%022%0.221CC..EExtended strand (participates in β ladder)trans-134.2146.2-172.4-66.30000111.7K289 H312 C314 Q319 C344K289-V321 HydrophobicContact CG-CG1 3.71Å; H312-V321 HydrophobicContact CB-CG2 4.47Å; H312-V321 WeakPolarHBondContact CB-O 3.37Å; H312-V321 PolarHBondContact N-O 3.43Å; H312-V321 PolarHBondContact O-N 3.44Å; C314-V321 HydrophobicContact CB-CG2 4.42Å; Q319-V321 HydrophobicContact CB-CG1 4.23Å; Q319-V321 PolarHBondContact O-N 3.5Å; V321-C344 HydrophobicContact CG1-CB 4.08Å
322C89.3Confident92.8Very high23 Ų2341.7 Ų41.716%0.15521%0.213CC..  trans-79166.1175.574.30000110.9C287 F294 K324 C325 S326C287-C322 HydrophobicContact CB-CB 4.04Å; C287-C322 PolarHBondContact SG-N 2.85Å; F294-C322 HydrophobicContact CD1-CB 4.45Å; F294-C322 HydrophobicContact CE1-CB 4.11Å; C322-K324 PolarHBondContact O-N 3.07Å; C322-C325 PolarHBondContact O-N 2.85Å; C322-C325 VanDerWaalsContact O-N 3.16Å; C322-C325 VanDerWaalsContact SG-SG 3.63Å; C322-S326 PolarHBondContact O-N 3.36Å; C322-S326 PolarHBondContact O-OG 3.34Å
323G87.4Confident93.1Very high38 Ų3838.2 Ų38.239%0.39220%0.197SC..G310 helixtrans-59.5-30.8179.400000113.6S326G323-S326 CarbonylContact O-C 3.44Å
324K89.9Confident93.2Very high189 Ų18938.9 Ų38.982%0.82220%0.202SC*.G310 helixtrans-70.7-33.9177.8-66.9-176.7179.91790113.2C322 S326C322-K324 PolarHBondContact O-N 3.07Å; K324-S326 VanDerWaalsContact C-N 3.33Å
325C91.7Very high93.2Very high21 Ų2139.7 Ų39.714%0.14221%0.206CC..G310 helixtrans-913.3-180-63.20000113.4K289 C322 C344 D345K289-C325 HydrophobicContact CB-CB 3.87Å; K289-C325 HydrophobicContact CG-CB 4.28Å; C322-C325 PolarHBondContact O-N 2.85Å; C322-C325 VanDerWaalsContact O-N 3.16Å; C322-C325 VanDerWaalsContact SG-SG 3.63Å; C325-C344 CarbonylContact O-C 3.49Å; C325-C344 WeakPolarHBondContact O-CA 3.44Å; C325-C344 WeakPolarHBondContact O-CB 3.25Å; C325-D345 VanDerWaalsContact C-OD2 3.24Å; C325-D345 WeakPolarHBondContact CA-OD2 3.42Å; C325-D345 PolarHBondContact O-N 3.34Å
326S92.9Very high93.2Very high0 Ų038 Ų380%020%0.199CC..  trans-138.144.3-18060.60000110.5C322 G323 K324 K328 R342 V343C322-S326 PolarHBondContact O-N 3.36Å; C322-S326 PolarHBondContact O-OG 3.34Å; G323-S326 CarbonylContact O-C 3.44Å; K324-S326 VanDerWaalsContact C-N 3.33Å; S326-K328 PolarHBondContact O-N 3.42Å; S326-R342 PolarHBondContact O-NH1 2.94Å; S326-R342 PolarHBondContact OG-NH1 2.88Å; S326-R342 VanDerWaalsContact OG-NH1 3.1Å; S326-V343 WeakPolarHBondContact CA-O 3.46Å
327S92.7Very high93.3Very high84 Ų8435.7 Ų35.759%0.58719%0.189SC*.  trans-71.2-23.7-175.965.80000112.6D345S327-D345 PolarHBondContact N-OD1 2.93Å; S327-D345 PolarHBondContact OG-OD1 2.98Å
328K94.9Very high93.4Very high71 Ų7134.7 Ų34.731%0.30918%0.181SC..  trans-98.4157.7-174-54.5-178.7-170.1169.50112.4S326 V343 H348 E349S326-K328 PolarHBondContact O-N 3.42Å; K328-V343 PolarHBondContact O-N 2.81Å; K328-H348 HydrophobicContact CB-CB 4.05Å; K328-H348 HydrophobicContact CD-CB 3.96Å; K328-H348 WeakPolarHBondContact CD-CD2 3.14Å; K328-E349 IonicContact NZ-OE1 3.14Å; K328-E349 PolarHBondContact NZ-OE1 2.97Å; K328-E349 VanDerWaalsContact NZ-OE1 3.14Å
329R96Very high93.4Very high129 Ų12937.9 Ų37.949%0.48720%0.195SC..EExtended strand (participates in β ladder)trans-123157170.3-66.5-176.1171.2-112.73.9110.1E340 V341 H348R329-E340 HydrophobicContact CB-CB 4.03Å; R329-E340 PolarHBondContact NH1-O 2.78Å; R329-V341 VanDerWaalsContact CA-O 3.23Å; R329-V341 WeakPolarHBondContact CA-O 3.27Å; R329-V341 WeakPolarHBondContact CB-O 3.12Å; R329-H348 PolarHBondContact O-CE1 3.5Å; R329-H348 PolarHBondContact O-ND1 3.02Å; R329-H348 VanDerWaalsContact O-ND1 3.09Å
330S96.5Very high93.5Very high4 Ų441.5 Ų41.53%0.02821%0.212CC..EExtended strand (participates in β ladder)trans-152.6154.7174.2-167.10000109.5V341 R356S330-V341 PolarHBondContact N-O 3.09Å; S330-V341 VanDerWaalsContact O-CG2 3.32Å; S330-V341 WeakPolarHBondContact O-CG2 3.25Å; S330-V341 PolarHBondContact O-N 3.19Å; S330-R356 PolarHBondContact OG-NE 3.39Å; S330-R356 VanDerWaalsContact OG-NE 3.17Å
331T96.1Very high93.7Very high32 Ų3242.3 Ų42.320%0.19622%0.216CC..EExtended strand (participates in β ladder)trans-76.6149.6159.456.60000109.3E338 E340T331-E338 WeakPolarHBondContact CG2-O 2.88Å; T331-E340 HydrophobicContact CG2-CG 4.35Å
332I95.4Very high93.8Very high7 Ų745.6 Ų45.64%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-143.469.7172.4-41.3173.3000108.6K316 L334 M335 G336 F337 V341 V343 I351K316-I332 HydrophobicContact CB-CD1 3.75Å; K316-I332 HydrophobicContact CG-CD1 4.28Å; I332-L334 VanDerWaalsContact C-N 3.27Å; I332-L334 PolarHBondContact O-N 3.05Å; I332-M335 HydrophobicContact CB-CB 4.35Å; I332-M335 HydrophobicContact CD1-SD 4.47Å; I332-M335 HydrophobicContact CG2-CB 3.9Å; I332-M335 HydrophobicContact CG2-CG 3.91Å; I332-M335 HydrophobicContact CG2-SD 3.98Å; I332-M335 PolarHBondContact O-N 3.3Å; I332-G336 PolarHBondContact O-N 2.53Å; I332-F337 CarbonylContact C-O 3.55Å; I332-F337 VanDerWaalsContact C-O 3.32Å; I332-F337 HydrophobicContact CB-CD2 4.47Å; I332-F337 PolarHBondContact N-O 3.17Å; I332-F337 PolarHBondContact O-N 2.88Å; I332-F337 VanDerWaalsContact O-N 3.09Å; I332-V341 HydrophobicContact CD1-CG2 4.29Å; I332-V341 HydrophobicContact CG1-CG2 4.37Å; I332-V343 HydrophobicContact CD1-CG1 3.81Å; I332-I351 HydrophobicContact CD1-CD1 4.07Å; I332-I351 HydrophobicContact CG1-CD1 4.01Å
333P95.1Very high94.1Very high0 Ų044.5 Ų44.50%022%0.221CC..G310 helixtrans-55.4-34.5-174.5-34.743.8000115R275 M335 G336 E338 D355 A357 T359R275-P333 PolarHBondContact NH1-O 3.16Å; P333-M335 PolarHBondContact O-N 2.78Å; P333-G336 WeakPolarHBondContact O-CA 3.33Å; P333-G336 PolarHBondContact O-N 3.38Å; P333-E338 WeakPolarHBondContact CB-OE1 3.39Å; P333-D355 VanDerWaalsContact CD-O 3.22Å; P333-D355 WeakPolarHBondContact CD-O 3.49Å; P333-A357 WeakPolarHBondContact CB-O 3.26Å; P333-A357 WeakPolarHBondContact CG-O 3.16Å; P333-T359 HydrophobicContact CB-CG2 3.73Å
334L93.4Very high94.5Very high45 Ų4542.7 Ų42.724%0.23620%0.203CC..G310 helixtrans-62.8-26.4176.1-67.5178.5000113.6R275 Q276 I332 T359R275-L334 CarbonylContact C-O 3.51Å; R275-L334 VanDerWaalsContact CA-O 3.28Å; R275-L334 WeakPolarHBondContact CA-O 3.49Å; R275-L334 WeakPolarHBondContact CB-O 3.28Å; Q276-L334 PolarHBondContact N-O 3.44Å; I332-L334 VanDerWaalsContact C-N 3.27Å; I332-L334 PolarHBondContact O-N 3.05Å; L334-T359 HydrophobicContact CD2-CG2 4.34Å
335M93.7Very high94.8Very high17 Ų1735.4 Ų35.48%0.08417%0.173CC..G310 helixtrans-94.87.6172.4-71.5-178168.300112.7Q276 T278 K316 I332 P333 F337Q276-M335 HydrophobicContact CB-CG 4.16Å; T278-M335 HydrophobicContact CG2-CB 4.41Å; K316-M335 HydrophobicContact CG-CE 4.28Å; K316-M335 HydrophobicContact CG-SD 4.29Å; I332-M335 HydrophobicContact CB-CB 4.35Å; I332-M335 HydrophobicContact CD1-SD 4.47Å; I332-M335 HydrophobicContact CG2-CB 3.9Å; I332-M335 HydrophobicContact CG2-CG 3.91Å; I332-M335 HydrophobicContact CG2-SD 3.98Å; I332-M335 PolarHBondContact O-N 3.3Å; P333-M335 PolarHBondContact O-N 2.78Å; M335-F337 HydrophobicContact CB-CD2 4Å; M335-F337 HydrophobicContact CB-CE2 4.01Å; M335-F337 WeakPolarHBondContact O-CE2 3.31Å
336G93.4Very high94.9Very high0 Ų037.2 Ų37.20%019%0.185CC..THydrogen-bonded Turntrans98.9-5.1178.300000116.5E237 Q239 I332 P333 E338E237-G336 WeakPolarHBondContact O-CA 3.33Å; Q239-G336 PolarHBondContact N-O 2.91Å; I332-G336 PolarHBondContact O-N 2.53Å; P333-G336 WeakPolarHBondContact O-CA 3.33Å; P333-G336 PolarHBondContact O-N 3.38Å; G336-E338 PolarHBondContact O-N 3.09Å
337F95.8Very high95Very high0 Ų037.8 Ų37.80%019%0.19CC..EExtended strand (participates in β ladder)trans-99.993.8-171.3-56.3-68.4000111.9Q239 T278 R315 I332 M335 F339 V341Q239-F337 HydrophobicContact CB-CD1 3.95Å; Q239-F337 HydrophobicContact CB-CE1 4.32Å; Q239-F337 HydrophobicContact CG-CD1 3.99Å; Q239-F337 HydrophobicContact CG-CE1 3.84Å; T278-F337 HydrophobicContact CG2-CE2 3.52Å; T278-F337 HydrophobicContact CG2-CZ 3.66Å; R315-F337 HydrophobicContact CG-CD1 4.5Å; R315-F337 HydrophobicContact CG-CD2 3.78Å; R315-F337 HydrophobicContact CG-CE1 4.12Å; R315-F337 HydrophobicContact CG-CE2 3.33Å; R315-F337 HydrophobicContact CG-CG 4.37Å; R315-F337 HydrophobicContact CG-CZ 3.58Å; R315-F337 VanDerWaalsContact NH2-CZ 3.33Å; I332-F337 CarbonylContact C-O 3.55Å; I332-F337 VanDerWaalsContact C-O 3.32Å; I332-F337 HydrophobicContact CB-CD2 4.47Å; I332-F337 PolarHBondContact N-O 3.17Å; I332-F337 PolarHBondContact O-N 2.88Å; I332-F337 VanDerWaalsContact O-N 3.09Å; M335-F337 HydrophobicContact CB-CD2 4Å; M335-F337 HydrophobicContact CB-CE2 4.01Å; M335-F337 WeakPolarHBondContact O-CE2 3.31Å; F337-F339 VanDerWaalsContact C-N 3.28Å; F337-V341 HydrophobicContact CB-CG1 3.91Å; F337-V341 HydrophobicContact CB-CG2 3.91Å; F337-V341 HydrophobicContact CD1-CG1 3.49Å; F337-V341 VanDerWaalsContact CD1-CG1 3.49Å; F337-V341 HydrophobicContact CD2-CG2 4.18Å; F337-V341 HydrophobicContact CE1-CG1 4.28Å; F337-V341 HydrophobicContact CG-CB 4.43Å; F337-V341 HydrophobicContact CG-CG1 3.69Å; F337-V341 HydrophobicContact CG-CG2 3.92Å
338E95.7Very high95.2Very high18 Ų1836 Ų368%0.08417%0.172CC..EExtended strand (participates in β ladder)trans-76.8-19.4171.6-62.3-68168.500112Q239 W269 T331 P333 G336 P358 T359 A360 F362Q239-E338 WeakPolarHBondContact O-CB 3.46Å; Q239-E338 PolarHBondContact O-N 2.88Å; Q239-E338 VanDerWaalsContact O-N 3.09Å; W269-E338 HydrophobicContact CH2-CG 4.24Å; W269-E338 HydrophobicContact CZ3-CG 3.74Å; T331-E338 WeakPolarHBondContact CG2-O 2.88Å; P333-E338 WeakPolarHBondContact CB-OE1 3.39Å; G336-E338 PolarHBondContact O-N 3.09Å; E338-P358 WeakPolarHBondContact OE2-CA 3.47Å; E338-T359 VanDerWaalsContact OE1-CA 3.28Å; E338-T359 WeakPolarHBondContact OE1-CA 3.23Å; E338-T359 WeakPolarHBondContact OE1-CB 3.03Å; E338-T359 PolarHBondContact OE1-N 3.36Å; E338-T359 PolarHBondContact OE1-OG1 3.43Å; E338-A360 HydrophobicContact CG-CB 4.05Å; E338-A360 PolarHBondContact OE1-N 3.44Å; E338-F362 HydrophobicContact CB-CE2 4.08Å; E338-F362 HydrophobicContact CB-CZ 3.58Å; E338-F362 HydrophobicContact CG-CE2 4.34Å; E338-F362 HydrophobicContact CG-CZ 3.94Å
339F94.8Very high95.2Very high68 Ų6839.5 Ų39.530%0.29819%0.189SC..EExtended strand (participates in β ladder)trans-101.5160.3173.4-61.4-28000113G240 F337 V341 F362G240-F339 VanDerWaalsContact C-CZ 3.4Å; G240-F339 WeakPolarHBondContact O-CE2 3.19Å; G240-F339 WeakPolarHBondContact O-CZ 3.48Å; F337-F339 VanDerWaalsContact C-N 3.28Å; F339-V341 PolarHBondContact O-N 3.47Å; F339-V341 VanDerWaalsContact O-N 3.11Å; F339-F362 HydrophobicContact CE1-CE1 4.1Å; F339-F362 HydrophobicContact CE1-CZ 4.29Å; F339-F362 HydrophobicContact CZ-CE1 4.18Å
340E95.3Very high95.2Very high126 Ų12636.2 Ų36.259%0.58919%0.186SC*.EExtended strand (participates in β ladder)trans-66.8108.4-177.3-77-167174.600113.1R329 T331R329-E340 HydrophobicContact CB-CB 4.03Å; R329-E340 PolarHBondContact NH1-O 2.78Å; T331-E340 HydrophobicContact CG2-CG 4.35Å
341V94.9Very high95.1Very high16 Ų1636.4 Ų36.410%0.09719%0.187CC..EExtended strand (participates in β ladder)trans-101156.3175.4-68.30000112R315 R329 S330 I332 F337 F339 V343R315-V341 HydrophobicContact CB-CB 4.04Å; R315-V341 HydrophobicContact CB-CG2 3.78Å; R315-V341 HydrophobicContact CG-CB 4.19Å; R315-V341 HydrophobicContact CG-CG1 4.46Å; R315-V341 HydrophobicContact CG-CG2 4.02Å; R329-V341 VanDerWaalsContact CA-O 3.23Å; R329-V341 WeakPolarHBondContact CA-O 3.27Å; R329-V341 WeakPolarHBondContact CB-O 3.12Å; S330-V341 PolarHBondContact N-O 3.09Å; S330-V341 VanDerWaalsContact O-CG2 3.32Å; S330-V341 WeakPolarHBondContact O-CG2 3.25Å; S330-V341 PolarHBondContact O-N 3.19Å; I332-V341 HydrophobicContact CD1-CG2 4.29Å; I332-V341 HydrophobicContact CG1-CG2 4.37Å; F337-V341 HydrophobicContact CB-CG1 3.91Å; F337-V341 HydrophobicContact CB-CG2 3.91Å; F337-V341 HydrophobicContact CD1-CG1 3.49Å; F337-V341 VanDerWaalsContact CD1-CG1 3.49Å; F337-V341 HydrophobicContact CD2-CG2 4.18Å; F337-V341 HydrophobicContact CE1-CG1 4.28Å; F337-V341 HydrophobicContact CG-CB 4.43Å; F337-V341 HydrophobicContact CG-CG1 3.69Å; F337-V341 HydrophobicContact CG-CG2 3.92Å; F339-V341 PolarHBondContact O-N 3.47Å; F339-V341 VanDerWaalsContact O-N 3.11Å; V341-V343 PolarHBondContact O-N 2.66Å
342R95.1Very high95Very high70 Ų7038 Ų3826%0.26420%0.197SC..EExtended strand (participates in β ladder)trans-68.9128.6176.2-178.8-180-67.1-82.4-5.2110R315 S326R315-R342 WeakPolarHBondContact CB-O 3.33Å; R315-R342 PolarHBondContact N-O 2.83Å; S326-R342 PolarHBondContact O-NH1 2.94Å; S326-R342 PolarHBondContact OG-NH1 2.88Å; S326-R342 VanDerWaalsContact OG-NH1 3.1Å
343V96.3Very high94.9Very high0 Ų044 Ų440%023%0.229CC..  trans-128.6150.2172.6-70.30000109.2K316 S326 K328 I332 V341 C347 H348 I351K316-V343 HydrophobicContact CB-CG1 4.32Å; S326-V343 WeakPolarHBondContact CA-O 3.46Å; K328-V343 PolarHBondContact O-N 2.81Å; I332-V343 HydrophobicContact CD1-CG1 3.81Å; V341-V343 PolarHBondContact O-N 2.66Å; V343-C347 HydrophobicContact CB-CB 4.29Å; V343-H348 HydrophobicContact CG2-CB 3.73Å; V343-I351 HydrophobicContact CG1-CD1 4.16Å
344C95.4Very high94.6Very high0 Ų051.9 Ų51.90%027%0.266CS..  trans-68.1154.317068.40000110.2K289 C314 V321 C325 S346 C347 H348K289-C344 WeakPolarHBondContact CE-SG 3.48Å; K289-C344 HydrophobicContact CG-CB 4.47Å; C314-C344 HydrophobicContact CB-CB 4.09Å; C314-C344 PolarHBondContact SG-N 2.91Å; C314-C344 VanDerWaalsContact SG-SG 3.7Å; V321-C344 HydrophobicContact CG1-CB 4.08Å; C325-C344 CarbonylContact O-C 3.49Å; C325-C344 WeakPolarHBondContact O-CA 3.44Å; C325-C344 WeakPolarHBondContact O-CB 3.25Å; C344-S346 PolarHBondContact O-N 3.14Å; C344-S346 PolarHBondContact SG-OG 3.4Å; C344-C347 WeakPolarHBondContact O-CA 3.36Å; C344-C347 WeakPolarHBondContact O-CB 3.49Å; C344-C347 PolarHBondContact O-N 2.83Å; C344-C347 VanDerWaalsContact SG-CB 3.54Å; C344-C347 PolarHBondContact SG-SG 3.06Å; C344-H348 PolarHBondContact O-N 3.4Å
345D95Very high94.5Very high35 Ų3551.9 Ų51.919%0.18727%0.266CS..Hα-helixtrans-60.2-36.6-171.9-55.6-40.2000111.8C325 S327 C347 H348 E349C325-D345 VanDerWaalsContact C-OD2 3.24Å; C325-D345 WeakPolarHBondContact CA-OD2 3.42Å; C325-D345 PolarHBondContact O-N 3.34Å; S327-D345 PolarHBondContact N-OD1 2.93Å; S327-D345 PolarHBondContact OG-OD1 2.98Å; D345-C347 PolarHBondContact O-N 2.98Å; D345-H348 WeakPolarHBondContact O-CB 3.35Å; D345-H348 PolarHBondContact O-N 3.37Å; D345-E349 PolarHBondContact O-N 3.41Å; D345-E349 VanDerWaalsContact O-N 3.15Å
346S94.7Very high94.5Very high59 Ų5954.1 Ų54.141%0.41327%0.273SS..Hα-helixtrans-64.5-39174.166.10000113K289 C344 S350K289-S346 VanDerWaalsContact CE-OG 3.3Å; K289-S346 WeakPolarHBondContact CE-OG 3.43Å; K289-S346 PolarHBondContact NZ-OG 2.74Å; K289-S346 VanDerWaalsContact NZ-OG 3.14Å; C344-S346 PolarHBondContact O-N 3.14Å; C344-S346 PolarHBondContact SG-OG 3.4Å; S346-S350 PolarHBondContact O-N 2.69Å
347C95.7Very high94.5Very high13 Ų1356.5 Ų56.59%0.08829%0.293CS..Hα-helixtrans-69.7-40.1176.5-79.20000110.5K316 V343 C344 D345 E349 S350 I351K316-C347 HydrophobicContact CB-CB 4.08Å; K316-C347 HydrophobicContact CD-CB 4.03Å; V343-C347 HydrophobicContact CB-CB 4.29Å; C344-C347 WeakPolarHBondContact O-CA 3.36Å; C344-C347 WeakPolarHBondContact O-CB 3.49Å; C344-C347 PolarHBondContact O-N 2.83Å; C344-C347 VanDerWaalsContact SG-CB 3.54Å; C344-C347 PolarHBondContact SG-SG 3.06Å; D345-C347 PolarHBondContact O-N 2.98Å; C347-E349 VanDerWaalsContact C-N 3.28Å; C347-E349 PolarHBondContact O-N 3.05Å; C347-S350 WeakPolarHBondContact CA-OG 3.33Å; C347-S350 PolarHBondContact O-N 2.81Å; C347-S350 VanDerWaalsContact O-N 3.08Å; C347-S350 PolarHBondContact O-OG 3.41Å; C347-I351 VanDerWaalsContact O-CG1 3.29Å; C347-I351 WeakPolarHBondContact O-CG1 3.21Å; C347-I351 PolarHBondContact O-N 2.85Å
348H96.4Very high94.4Very high47 Ų4761.1 Ų61.122%0.21832%0.323CS..Hα-helixtrans-56.9-43177.3-174.888000112.2K328 R329 V343 C344 D345 S350 I351 R356K328-H348 HydrophobicContact CB-CB 4.05Å; K328-H348 HydrophobicContact CD-CB 3.96Å; K328-H348 WeakPolarHBondContact CD-CD2 3.14Å; R329-H348 PolarHBondContact O-CE1 3.5Å; R329-H348 PolarHBondContact O-ND1 3.02Å; R329-H348 VanDerWaalsContact O-ND1 3.09Å; V343-H348 HydrophobicContact CG2-CB 3.73Å; C344-H348 PolarHBondContact O-N 3.4Å; D345-H348 WeakPolarHBondContact O-CB 3.35Å; D345-H348 PolarHBondContact O-N 3.37Å; H348-S350 VanDerWaalsContact C-N 3.29Å; H348-S350 PolarHBondContact O-N 3.06Å; H348-I351 PolarHBondContact O-N 2.99Å; H348-R356 PolarHBondContact O-NH2 3.3Å
349E95.1Very high94.4Very high143 Ų14360.9 Ų60.967%0.66832%0.323SS*.Hα-helixtrans-67.9-28.2177.5-73.1166.1-163.900113.1K328 D345 C347K328-E349 IonicContact NZ-OE1 3.14Å; K328-E349 PolarHBondContact NZ-OE1 2.97Å; K328-E349 VanDerWaalsContact NZ-OE1 3.14Å; D345-E349 PolarHBondContact O-N 3.41Å; D345-E349 VanDerWaalsContact O-N 3.15Å; C347-E349 VanDerWaalsContact C-N 3.28Å; C347-E349 PolarHBondContact O-N 3.05Å
350S95.3Very high94.4Very high61 Ų6158 Ų5843%0.42731%0.311SS..Hα-helixtrans-81.6-13176.574.60000114.9K316 S346 C347 H348K316-S350 PolarHBondContact NZ-O 2.66Å; K316-S350 PolarHBondContact NZ-OG 3.45Å; S346-S350 PolarHBondContact O-N 2.69Å; C347-S350 WeakPolarHBondContact CA-OG 3.33Å; C347-S350 PolarHBondContact O-N 2.81Å; C347-S350 VanDerWaalsContact O-N 3.08Å; C347-S350 PolarHBondContact O-OG 3.41Å; H348-S350 VanDerWaalsContact C-N 3.29Å; H348-S350 PolarHBondContact O-N 3.06Å
351I94.4Very high94.4Very high7 Ų755.4 Ų55.44%0.03630%0.304CS..  trans-81.7120.9-179-68.4162.8000107.9K316 I332 V343 C347 H348 D355 R356K316-I351 HydrophobicContact CD-CD1 3.99Å; K316-I351 HydrophobicContact CD-CG1 3.67Å; I332-I351 HydrophobicContact CD1-CD1 4.07Å; I332-I351 HydrophobicContact CG1-CD1 4.01Å; V343-I351 HydrophobicContact CG1-CD1 4.16Å; C347-I351 VanDerWaalsContact O-CG1 3.29Å; C347-I351 WeakPolarHBondContact O-CG1 3.21Å; C347-I351 PolarHBondContact O-N 2.85Å; H348-I351 PolarHBondContact O-N 2.99Å; I351-D355 HydrophobicContact CG2-CB 3.73Å; I351-R356 HydrophobicContact CG2-CG 3.73Å; I351-R356 VanDerWaalsContact O-CZ 3.26Å; I351-R356 PolarHBondContact O-NH1 3.45Å; I351-R356 PolarHBondContact O-NH2 3Å
352T94.3Very high94.4Very high66 Ų6658.7 Ų58.741%0.40532%0.317SS..  trans-82.8170.1177.867.70000111.3E354 D355 R356T352-E354 VanDerWaalsContact C-N 3.26Å; T352-E354 PolarHBondContact OG1-N 3.16Å; T352-D355 PolarHBondContact N-OD2 3.43Å; T352-D355 VanDerWaalsContact N-OD2 3.1Å; T352-D355 WeakPolarHBondContact O-CB 3.47Å; T352-D355 PolarHBondContact O-N 2.69Å; T352-D355 VanDerWaalsContact OG1-CG 3.27Å; T352-D355 PolarHBondContact OG1-N 2.92Å; T352-D355 VanDerWaalsContact OG1-N 3.1Å; T352-D355 PolarHBondContact OG1-OD2 2.98Å; T352-R356 WeakPolarHBondContact O-CG 3.04Å; T352-R356 PolarHBondContact O-N 2.8Å; T352-R356 PolarHBondContact O-NH1 3.21Å
353D92.1Very high94.5Very high133 Ų13356.4 Ų56.471%0.71131%0.309SS*.THydrogen-bonded Turntrans-70.4-26.5174.2-66.6-25.4000112.4R356 A357D353-R356 PolarHBondContact O-N 2.79Å; D353-R356 IonicContact OD1-NH1 3.92Å; D353-R356 PolarHBondContact OD1-NH1 2.77Å; D353-R356 VanDerWaalsContact OD1-NH1 3.16Å; D353-A357 PolarHBondContact O-N 3.14Å
354E90.6Very high94.4Very high166 Ų16660.4 Ų60.478%0.77633%0.331SS*.THydrogen-bonded Turntrans-65.5-41.8170.3-64.6177.4178.600111.1T352 R356 A357T352-E354 VanDerWaalsContact C-N 3.26Å; T352-E354 PolarHBondContact OG1-N 3.16Å; E354-R356 PolarHBondContact O-N 3.19Å; E354-A357 WeakPolarHBondContact O-CB 3.19Å; E354-A357 PolarHBondContact O-N 3.23Å
355D90.4Very high94.3Very high45 Ų4560.4 Ų60.424%0.24133%0.331CS..THydrogen-bonded Turntrans-63.8-22.8174.9-69.6-29.2000112.7P333 I351 T352P333-D355 VanDerWaalsContact CD-O 3.22Å; P333-D355 WeakPolarHBondContact CD-O 3.49Å; I351-D355 HydrophobicContact CG2-CB 3.73Å; T352-D355 PolarHBondContact N-OD2 3.43Å; T352-D355 VanDerWaalsContact N-OD2 3.1Å; T352-D355 WeakPolarHBondContact O-CB 3.47Å; T352-D355 PolarHBondContact O-N 2.69Å; T352-D355 VanDerWaalsContact OG1-CG 3.27Å; T352-D355 PolarHBondContact OG1-N 2.92Å; T352-D355 VanDerWaalsContact OG1-N 3.1Å; T352-D355 PolarHBondContact OG1-OD2 2.98Å
356R93.6Very high94.1Very high64 Ų6465.7 Ų65.724%0.24235%0.352CS..THydrogen-bonded Turntrans-90.9-6.5176.9-66.7179.6-174.593.110.5112.9S330 H348 I351 T352 D353 E354S330-R356 PolarHBondContact OG-NE 3.39Å; S330-R356 VanDerWaalsContact OG-NE 3.17Å; H348-R356 PolarHBondContact O-NH2 3.3Å; I351-R356 HydrophobicContact CG2-CG 3.73Å; I351-R356 VanDerWaalsContact O-CZ 3.26Å; I351-R356 PolarHBondContact O-NH1 3.45Å; I351-R356 PolarHBondContact O-NH2 3Å; T352-R356 WeakPolarHBondContact O-CG 3.04Å; T352-R356 PolarHBondContact O-N 2.8Å; T352-R356 PolarHBondContact O-NH1 3.21Å; D353-R356 PolarHBondContact O-N 2.79Å; D353-R356 IonicContact OD1-NH1 3.92Å; D353-R356 PolarHBondContact OD1-NH1 2.77Å; D353-R356 VanDerWaalsContact OD1-NH1 3.16Å; E354-R356 PolarHBondContact O-N 3.19Å
357A93.9Very high94.1Very high50 Ų5063.6 Ų63.641%0.41334%0.336SS..SBendtrans-62.7127.8-17900000109.9P333 D353 E354P333-A357 WeakPolarHBondContact CB-O 3.26Å; P333-A357 WeakPolarHBondContact CG-O 3.16Å; D353-A357 PolarHBondContact O-N 3.14Å; E354-A357 WeakPolarHBondContact O-CB 3.19Å; E354-A357 PolarHBondContact O-N 3.23Å
358P93.7Very high94Very high97 Ų9766.9 Ų66.963%0.6335%0.352SS*.  trans-65.3139.7-175.126.6-34.4000110.9E338E338-P358 WeakPolarHBondContact OE2-CA 3.47Å
359T94.9Very high94Very high13 Ų1364.7 Ų64.78%0.0834%0.342CS..SBendtrans-105.23.6174.6630000112.2N270 V273 R275 P333 L334 E338N270-T359 WeakPolarHBondContact CB-O 3.35Å; N270-T359 PolarHBondContact N-O 3.5Å; V273-T359 HydrophobicContact CG1-CG2 4.35Å; V273-T359 HydrophobicContact CG2-CG2 4.02Å; R275-T359 VanDerWaalsContact CZ-OG1 3.31Å; R275-T359 PolarHBondContact NH1-OG1 2.95Å; R275-T359 VanDerWaalsContact NH2-CB 3.33Å; R275-T359 PolarHBondContact NH2-OG1 3.19Å; P333-T359 HydrophobicContact CB-CG2 3.73Å; L334-T359 HydrophobicContact CD2-CG2 4.34Å; E338-T359 VanDerWaalsContact OE1-CA 3.28Å; E338-T359 WeakPolarHBondContact OE1-CA 3.23Å; E338-T359 WeakPolarHBondContact OE1-CB 3.03Å; E338-T359 PolarHBondContact OE1-N 3.36Å; E338-T359 PolarHBondContact OE1-OG1 3.43Å
360A95.4Very high94.1Very high6 Ų659.7 Ų59.75%0.0532%0.322CS..EExtended strand (participates in β ladder)trans-137.2156.3176.100000111.6V267 I268 W269 E338 F362V267-A360 HydrophobicContact CG1-CB 3.74Å; I268-A360 CarbonylContact O-C 3.5Å; I268-A360 WeakPolarHBondContact O-CA 3.48Å; I268-A360 WeakPolarHBondContact O-CB 3.28Å; W269-A360 HydrophobicContact CD2-CB 4.02Å; W269-A360 HydrophobicContact CE3-CB 3.65Å; W269-A360 HydrophobicContact CZ3-CB 4.01Å; E338-A360 HydrophobicContact CG-CB 4.05Å; E338-A360 PolarHBondContact OE1-N 3.44Å; A360-F362 HydrophobicContact CB-CE2 4.33Å; A360-F362 HydrophobicContact CB-CZ 4.4Å
361T95.4Very high94.2Very high72 Ų7260.1 Ų60.144%0.44231%0.314SS..EExtended strand (participates in β ladder)trans-115.6142.8170.964.90000110.7V267 I268 H363V267-T361 WeakPolarHBondContact CA-O 3.48Å; I268-T361 PolarHBondContact N-O 2.74Å; I268-T361 PolarHBondContact O-N 2.91Å; T361-H363 PolarHBondContact OG1-NE2 2.93Å
362F95.7Very high94.3Very high85 Ų8560.4 Ų60.437%0.37332%0.316SS..EExtended strand (participates in β ladder)trans-112.3128.3-172.7-63.2-93.4000110.6G240 V267 E338 F339 A360G240-F362 VanDerWaalsContact O-CE1 3.23Å; G240-F362 WeakPolarHBondContact O-CE1 3.4Å; V267-F362 HydrophobicContact CB-CD1 4.48Å; V267-F362 HydrophobicContact CB-CE1 4.43Å; V267-F362 HydrophobicContact CG1-CD1 4.24Å; V267-F362 HydrophobicContact CG1-CE1 3.88Å; V267-F362 HydrophobicContact CG1-CZ 4.2Å; V267-F362 HydrophobicContact CG2-CD1 3.49Å; V267-F362 VanDerWaalsContact CG2-CD1 3.49Å; V267-F362 HydrophobicContact CG2-CE1 3.6Å; V267-F362 HydrophobicContact CG2-CG 4.45Å; E338-F362 HydrophobicContact CB-CE2 4.08Å; E338-F362 HydrophobicContact CB-CZ 3.58Å; E338-F362 HydrophobicContact CG-CE2 4.34Å; E338-F362 HydrophobicContact CG-CZ 3.94Å; F339-F362 HydrophobicContact CE1-CE1 4.1Å; F339-F362 HydrophobicContact CE1-CZ 4.29Å; F339-F362 HydrophobicContact CZ-CE1 4.18Å; A360-F362 HydrophobicContact CB-CE2 4.33Å; A360-F362 HydrophobicContact CB-CZ 4.4Å
363H96.3Very high94.4Very high22 Ų2259.5 Ų59.510%0.10231%0.307CS..EExtended strand (participates in β ladder)trans-130.4151.5179.2-54.3-76.3000110.2P14 S265 I266 T361P14-H363 VanDerWaalsContact CD-CG 3.4Å; P14-H363 WeakPolarHBondContact CD-ND1 3.12Å; P14-H363 HydrophobicContact CG-CB 3.71Å; S265-H363 CarbonylContact C-O 3.58Å; S265-H363 WeakPolarHBondContact CA-O 3.24Å; I266-H363 HydrophobicContact CB-CB 4.41Å; I266-H363 PolarHBondContact N-O 2.75Å; I266-H363 PolarHBondContact O-N 3.02Å; T361-H363 PolarHBondContact OG1-NE2 2.93Å
364D94.4Very high94.6Very high84 Ų8454 Ų5445%0.44928%0.276SS..EExtended strand (participates in β ladder)trans-108.9118.4-175.8177.2-0.4000109.5K366D364-K366 PolarHBondContact O-N 2.91Å; D364-K366 WeakPolarHBondContact OD1-CA 3.48Å; D364-K366 PolarHBondContact OD1-N 3.08Å; D364-K366 WeakPolarHBondContact OD2-CD 3.39Å; D364-K366 WeakPolarHBondContact OD2-CE 3.33Å; D364-K366 IonicContact OD2-NZ 3.16Å; D364-K366 PolarHBondContact OD2-NZ 3.11Å
365S92Very high94.7Very high0 Ų047 Ų470%024%0.243CC..  trans-78.3-2.8178.467.40000113.4G264 H367 I369 K391 W393G264-S365 WeakPolarHBondContact O-CB 3.35Å; G264-S365 PolarHBondContact O-N 3.37Å; G264-S365 PolarHBondContact O-OG 3.1Å; S365-H367 PolarHBondContact O-CD2 3.5Å; S365-H367 PolarHBondContact O-N 3.36Å; S365-H367 VanDerWaalsContact O-N 3.14Å; S365-H367 PolarHBondContact OG-CD2 3.17Å; S365-H367 PolarHBondContact OG-O 3.18Å; S365-I369 WeakPolarHBondContact OG-CD1 3.11Å; S365-I369 WeakPolarHBondContact OG-CG1 3.42Å; S365-K391 PolarHBondContact O-NZ 2.66Å; S365-W393 WeakPolarHBondContact O-CH2 3.33Å; S365-W393 WeakPolarHBondContact O-CZ2 3.22Å
366K91.8Very high94.7Very high147 Ų14748.3 Ų48.364%0.63926%0.255SS*.SBendtrans60.121.1179.6-51.3-64.8174.2-167.30113.6D364 K391D364-K366 PolarHBondContact O-N 2.91Å; D364-K366 WeakPolarHBondContact OD1-CA 3.48Å; D364-K366 PolarHBondContact OD1-N 3.08Å; D364-K366 WeakPolarHBondContact OD2-CD 3.39Å; D364-K366 WeakPolarHBondContact OD2-CE 3.33Å; D364-K366 IonicContact OD2-NZ 3.16Å; D364-K366 PolarHBondContact OD2-NZ 3.11Å; K366-K391 PolarHBondContact O-NZ 3.33Å
367H94.5Very high94.5Very high15 Ų1550.4 Ų50.47%0.06928%0.275CS..SBendtrans-162.3161168.864.1170.4000110.6G264 S365 I369 T383 G385 D387 K391G264-H367 WeakPolarHBondContact CA-O 3.24Å; S365-H367 PolarHBondContact O-CD2 3.5Å; S365-H367 PolarHBondContact O-N 3.36Å; S365-H367 VanDerWaalsContact O-N 3.14Å; S365-H367 PolarHBondContact OG-CD2 3.17Å; S365-H367 PolarHBondContact OG-O 3.18Å; H367-I369 PolarHBondContact O-N 3.34Å; H367-T383 PolarHBondContact NE2-OG1 3.21Å; H367-G385 PolarHBondContact CE1-N 3.1Å; H367-D387 HydrophobicContact CB-CB 4.49Å; H367-D387 WeakPolarHBondContact CB-OD2 3.45Å; H367-D387 IonicContact CE1-OD1 2.88Å; H367-D387 IonicContact CG-OD1 3.9Å; H367-D387 IonicContact CG-OD2 3.17Å; H367-D387 IonicContact ND1-OD1 2.7Å; H367-D387 PolarHBondContact ND1-OD1 3.15Å; H367-D387 IonicContact ND1-OD2 3.73Å; H367-D387 PolarHBondContact ND1-OD2 3.32Å; H367-D387 VanDerWaalsContact ND1-OD2 3.17Å; H367-K391 VanDerWaalsContact CB-NZ 3.32Å; H367-K391 PolarHBondContact CD2-NZ 2.7Å
368N94.7Very high94.4Very high81 Ų8150.7 Ų50.743%0.43327%0.272SS..  trans-70.8127.7172.8-62.3-3.1000108.9S262 G385 T386S262-N368 VanDerWaalsContact O-CB 3.26Å; S262-N368 WeakPolarHBondContact O-CB 3.17Å; S262-N368 PolarHBondContact O-OD1 2.59Å; N368-G385 WeakPolarHBondContact O-CA 3.28Å; N368-T386 HydrophobicContact CB-CG2 4.35Å; N368-T386 PolarHBondContact O-N 3.1Å
369I96.5Very high94.4Very high1 Ų146.3 Ų46.31%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-85.9136.1-176.3-55.2170.2000109.5Q246 C260 S261 I266 S365 H367 Y371 T383 S384Q246-I369 WeakPolarHBondContact CG-O 3.32Å; C260-I369 HydrophobicContact CB-CB 4.37Å; C260-I369 HydrophobicContact CB-CD1 3.6Å; C260-I369 HydrophobicContact CB-CG2 3.92Å; S261-I369 WeakPolarHBondContact O-CB 3.46Å; S261-I369 PolarHBondContact O-N 3.45Å; I266-I369 HydrophobicContact CG1-CD1 3.85Å; S365-I369 WeakPolarHBondContact OG-CD1 3.11Å; S365-I369 WeakPolarHBondContact OG-CG1 3.42Å; H367-I369 PolarHBondContact O-N 3.34Å; I369-Y371 WeakPolarHBondContact CG2-O 3.28Å; I369-T383 HydrophobicContact CD1-CG2 4.17Å; I369-T383 HydrophobicContact CG2-CG2 4.49Å; I369-S384 WeakPolarHBondContact CA-O 3.32Å
370V96.3Very high94.4Very high39 Ų3947.1 Ų47.124%0.23625%0.248CC..EExtended strand (participates in β ladder)trans-108.5-42174.21730000110.4V26 S384 T386V26-V370 HydrophobicContact CG1-CB 4.38Å; V26-V370 HydrophobicContact CG1-CG1 4.11Å; V26-V370 HydrophobicContact CG1-CG2 4.01Å; V370-S384 PolarHBondContact N-O 2.82Å; V370-T386 HydrophobicContact CG2-CG2 3.57Å
371Y97Very high94.5Very high69 Ų6946.8 Ų46.827%0.27125%0.245SC..EExtended strand (participates in β ladder)trans-144154.4-179.9-174.4-92.8000110.8T28 A29 A30 I369 H373 T383 S384T28-Y371 WeakPolarHBondContact O-CB 3.49Å; A29-Y371 HydrophobicContact CB-CD1 4.26Å; A29-Y371 HydrophobicContact CB-CD2 4.01Å; A29-Y371 HydrophobicContact CB-CE1 4.18Å; A29-Y371 HydrophobicContact CB-CE2 3.91Å; A29-Y371 HydrophobicContact CB-CG 4.19Å; A30-Y371 WeakPolarHBondContact O-CE1 3.33Å; I369-Y371 WeakPolarHBondContact CG2-O 3.28Å; Y371-H373 HydrophobicContact CE1-CB 4.1Å; Y371-T383 WeakPolarHBondContact O-CA 3.47Å; Y371-S384 WeakPolarHBondContact CB-OG 3.44Å; Y371-S384 PolarHBondContact N-O 3.26Å; Y371-S384 PolarHBondContact N-OG 3.31Å; Y371-S384 PolarHBondContact O-N 3.16Å
372M96.9Very high94.6Very high14 Ų1443.4 Ų43.47%0.06922%0.224CC..EExtended strand (participates in β ladder)trans-135.7150.2173.373.3-179.6-75.100112G247 C249 I258 C260 L381 L382G247-M372 VanDerWaalsContact CA-SD 3.55Å; C249-M372 HydrophobicContact CB-CE 3.96Å; I258-M372 HydrophobicContact CB-CE 4.17Å; I258-M372 HydrophobicContact CG2-CE 3.69Å; C260-M372 HydrophobicContact CB-CB 4.36Å; C260-M372 HydrophobicContact CB-CG 4.46Å; C260-M372 HydrophobicContact CB-SD 3.65Å; C260-M372 PolarHBondContact SG-SD 3.3Å; M372-L381 HydrophobicContact CB-CD1 4.19Å; M372-L381 HydrophobicContact CE-CD1 3.54Å; M372-L382 CarbonylContact C-O 3.56Å; M372-L382 WeakPolarHBondContact CA-O 3.23Å
373H96.9Very high94.7Very high47 Ų4739.3 Ų39.322%0.21821%0.206CC..EExtended strand (participates in β ladder)trans-140.5122.4168.9177-84.8000109.2A30 I32 Y371 L382A30-H373 VanDerWaalsContact O-CB 3.29Å; A30-H373 WeakPolarHBondContact O-CB 3.37Å; I32-H373 PolarHBondContact N-ND1 3.23Å; Y371-H373 HydrophobicContact CE1-CB 4.1Å; H373-L382 HydrophobicContact CB-CB 4.32Å; H373-L382 PolarHBondContact N-O 2.93Å; H373-L382 PolarHBondContact O-N 2.98Å
374Y95.6Very high94.7Very high16 Ų1638.3 Ų38.36%0.06320%0.202CC..EExtended strand (participates in β ladder)trans-104.5126.3177.2177.3-111.9000109.6A251 I258 P376 N380 L381 M395A251-Y374 HydrophobicContact CB-CE1 4.14Å; I258-Y374 HydrophobicContact CD1-CD1 4.2Å; I258-Y374 HydrophobicContact CD1-CD2 3.76Å; I258-Y374 HydrophobicContact CD1-CE1 4.25Å; I258-Y374 HydrophobicContact CD1-CE2 3.82Å; I258-Y374 HydrophobicContact CD1-CG 3.95Å; Y374-P376 HydrophobicContact CD1-CB 4.41Å; Y374-P376 HydrophobicContact CE1-CB 3.93Å; Y374-P376 WeakPolarHBondContact O-CD 3.49Å; Y374-N380 WeakPolarHBondContact CD2-O 3.47Å; Y374-L381 HydrophobicContact CD2-CB 4.25Å; Y374-M395 HydrophobicContact CE2-CB 4.23Å; Y374-M395 HydrophobicContact CE2-CG 4.36Å
375E94Very high94.7Very high19 Ų1934.3 Ų34.39%0.08918%0.18CC..EExtended strand (participates in β ladder)trans-101.5100.9176.5176.745.5-123.200109.4I32 T377 T378 G379 N380I32-E375 HydrophobicContact CB-CB 4.2Å; I32-E375 HydrophobicContact CD1-CB 3.96Å; I32-E375 HydrophobicContact CG2-CB 4.29Å; I32-E375 HydrophobicContact CG2-CG 4.36Å; E375-T377 VanDerWaalsContact C-N 3.27Å; E375-T377 PolarHBondContact O-N 3.1Å; E375-T377 WeakPolarHBondContact OE1-CB 3.18Å; E375-T377 WeakPolarHBondContact OE1-CG2 3.38Å; E375-T377 PolarHBondContact OE1-N 3.07Å; E375-T377 VanDerWaalsContact OE1-N 3.11Å; E375-T377 PolarHBondContact OE1-OG1 2.97Å; E375-T378 HydrophobicContact CG-CG2 4.38Å; E375-T378 WeakPolarHBondContact CG-OG1 3.39Å; E375-T378 PolarHBondContact O-N 3.49Å; E375-T378 PolarHBondContact O-OG1 3.35Å; E375-G379 PolarHBondContact O-N 3.06Å; E375-N380 PolarHBondContact N-O 3.25Å; E375-N380 PolarHBondContact O-N 3.21Å
376P90.1Very high94.8Very high74 Ų7438 Ų3848%0.48120%0.203SC..THydrogen-bonded Turntrans-66-27.2-170.726.3-35.1000113.2Y374 T378Y374-P376 HydrophobicContact CD1-CB 4.41Å; Y374-P376 HydrophobicContact CE1-CB 3.93Å; Y374-P376 WeakPolarHBondContact O-CD 3.49Å; P376-T378 VanDerWaalsContact C-N 3.33Å; P376-T378 PolarHBondContact O-N 3.07Å
377T89.6Confident95Very high108 Ų10834.1 Ų34.166%0.66319%0.189SC*.THydrogen-bonded Turntrans-69.9-31.6-178.261.40000113E375E375-T377 VanDerWaalsContact C-N 3.27Å; E375-T377 PolarHBondContact O-N 3.1Å; E375-T377 WeakPolarHBondContact OE1-CB 3.18Å; E375-T377 WeakPolarHBondContact OE1-CG2 3.38Å; E375-T377 PolarHBondContact OE1-N 3.07Å; E375-T377 VanDerWaalsContact OE1-N 3.11Å; E375-T377 PolarHBondContact OE1-OG1 2.97Å
378T90.7Very high95.1Very high56 Ų5636.5 Ų36.534%0.34420%0.2SC..THydrogen-bonded Turntrans-102-13.8179.159.10000112.6E375 P376 N380E375-T378 HydrophobicContact CG-CG2 4.38Å; E375-T378 WeakPolarHBondContact CG-OG1 3.39Å; E375-T378 PolarHBondContact O-N 3.49Å; E375-T378 PolarHBondContact O-OG1 3.35Å; P376-T378 VanDerWaalsContact C-N 3.33Å; P376-T378 PolarHBondContact O-N 3.07Å; T378-N380 WeakPolarHBondContact CB-ND2 3.44Å; T378-N380 PolarHBondContact O-N 3.13Å; T378-N380 WeakPolarHBondContact OG1-CB 3.3Å; T378-N380 PolarHBondContact OG1-N 3.47Å; T378-N380 PolarHBondContact OG1-ND2 3.06Å
379G92.8Very high95.1Very high5 Ų533.3 Ų33.35%0.05218%0.183CC..THydrogen-bonded Turntrans68.817.3-171.200000112.9E375 M395E375-G379 PolarHBondContact O-N 3.06Å; G379-M395 WeakPolarHBondContact O-CA 3.3Å; G379-M395 VanDerWaalsContact O-CB 3.24Å; G379-M395 WeakPolarHBondContact O-CB 3.36Å; G379-M395 PolarHBondContact O-N 2.96Å
380N95.4Very high95.2Very high29 Ų2933.2 Ų33.216%0.15518%0.182CC..EExtended strand (participates in β ladder)trans-89.5135.6-178.2-69.8-28.7000111.3L17 I32 Y374 E375 T378 I392 W393L17-N380 WeakPolarHBondContact CD1-OD1 3.49Å; I32-N380 HydrophobicContact CD1-CB 3.73Å; Y374-N380 WeakPolarHBondContact CD2-O 3.47Å; E375-N380 PolarHBondContact N-O 3.25Å; E375-N380 PolarHBondContact O-N 3.21Å; T378-N380 WeakPolarHBondContact CB-ND2 3.44Å; T378-N380 PolarHBondContact O-N 3.13Å; T378-N380 WeakPolarHBondContact OG1-CB 3.3Å; T378-N380 PolarHBondContact OG1-N 3.47Å; T378-N380 PolarHBondContact OG1-ND2 3.06Å; N380-I392 HydrophobicContact CB-CG2 4.31Å; N380-W393 CarbonylContact C-O 3.49Å; N380-W393 VanDerWaalsContact CA-O 3.24Å; N380-W393 WeakPolarHBondContact CA-O 3.41Å
381L97.1Very high95.2Very high0 Ų031.7 Ų31.70%017%0.172CC..EExtended strand (participates in β ladder)trans-107.9127.7170.5176.167.7000109.5I258 I266 M372 Y374 T383 I392 W393 M395I258-L381 HydrophobicContact CG2-CD2 4.35Å; I266-L381 HydrophobicContact CD1-CD2 3.86Å; I266-L381 HydrophobicContact CG1-CD2 4.37Å; I266-L381 HydrophobicContact CG2-CD2 4.02Å; M372-L381 HydrophobicContact CB-CD1 4.19Å; M372-L381 HydrophobicContact CE-CD1 3.54Å; Y374-L381 HydrophobicContact CD2-CB 4.25Å; L381-T383 HydrophobicContact CD2-CG2 4.14Å; L381-T383 HydrophobicContact CG-CG2 4.11Å; L381-I392 CarbonylContact O-C 3.43Å; L381-I392 WeakPolarHBondContact O-CA 3.32Å; L381-W393 HydrophobicContact CB-CB 4.35Å; L381-W393 PolarHBondContact N-O 3.07Å; L381-W393 VanDerWaalsContact O-CD1 3.31Å; L381-W393 PolarHBondContact O-N 3.11Å; L381-M395 HydrophobicContact CB-CG 3.37Å; L381-M395 HydrophobicContact CB-SD 3.86Å; L381-M395 HydrophobicContact CD2-CE 4.05Å; L381-M395 HydrophobicContact CD2-CG 4.27Å; L381-M395 HydrophobicContact CD2-SD 3.82Å; L381-M395 HydrophobicContact CG-CG 4.46Å
382L97.6Very high95.2Very high0 Ų028.6 Ų28.60%016%0.161CC..EExtended strand (participates in β ladder)trans-97.4134.1168.2-177154000109.1A30 I32 V39 M372 H373 V390 K391A30-L382 HydrophobicContact CB-CD1 4.03Å; A30-L382 HydrophobicContact CB-CD2 3.61Å; I32-L382 HydrophobicContact CD1-CB 3.96Å; I32-L382 HydrophobicContact CG1-CB 3.94Å; I32-L382 HydrophobicContact CG1-CD1 4Å; V39-L382 HydrophobicContact CB-CD1 4.48Å; V39-L382 HydrophobicContact CG1-CD1 3.59Å; V39-L382 HydrophobicContact CG2-CD1 4Å; M372-L382 CarbonylContact C-O 3.56Å; M372-L382 WeakPolarHBondContact CA-O 3.23Å; H373-L382 HydrophobicContact CB-CB 4.32Å; H373-L382 PolarHBondContact N-O 2.93Å; H373-L382 PolarHBondContact O-N 2.98Å; L382-V390 HydrophobicContact CD1-CG1 3.73Å; L382-V390 HydrophobicContact CD2-CG1 3.89Å; L382-V390 HydrophobicContact CG-CG1 3.66Å; L382-K391 CarbonylContact C-O 3.32Å; L382-K391 WeakPolarHBondContact CA-O 3.45Å
383T97.9Very high95.2Very high0 Ų028.6 Ų28.60%016%0.16CC..EExtended strand (participates in β ladder)trans-125.5134.616962.70000110.2I266 H367 I369 Y371 L381 V390 K391 W393I266-T383 HydrophobicContact CD1-CG2 4.37Å; H367-T383 PolarHBondContact NE2-OG1 3.21Å; I369-T383 HydrophobicContact CD1-CG2 4.17Å; I369-T383 HydrophobicContact CG2-CG2 4.49Å; Y371-T383 WeakPolarHBondContact O-CA 3.47Å; L381-T383 HydrophobicContact CD2-CG2 4.14Å; L381-T383 HydrophobicContact CG-CG2 4.11Å; T383-V390 WeakPolarHBondContact O-CA 3.48Å; T383-K391 PolarHBondContact N-O 3.32Å; T383-K391 PolarHBondContact O-N 3.29Å; T383-W393 PolarHBondContact OG1-NE1 3.27Å
384S97.3Very high95.1Very high0 Ų028 Ų280%016%0.159CC..EExtended strand (participates in β ladder)trans-10514916473.20000109.8V27 I369 V370 Y371V27-S384 WeakPolarHBondContact O-CB 3.29Å; V27-S384 PolarHBondContact O-OG 3Å; I369-S384 WeakPolarHBondContact CA-O 3.32Å; V370-S384 PolarHBondContact N-O 2.82Å; Y371-S384 WeakPolarHBondContact CB-OG 3.44Å; Y371-S384 PolarHBondContact N-O 3.26Å; Y371-S384 PolarHBondContact N-OG 3.31Å; Y371-S384 PolarHBondContact O-N 3.16Å
385G94.6Very high95.1Very high0 Ų027.3 Ų27.30%016%0.156CC..EExtended strand (participates in β ladder)trans-133171.2-179.700000115.1H367 N368 D387 K388 V389H367-G385 PolarHBondContact CE1-N 3.1Å; N368-G385 WeakPolarHBondContact O-CA 3.28Å; G385-D387 WeakPolarHBondContact CA-OD1 3.38Å; G385-D387 PolarHBondContact O-N 3.41Å; G385-K388 PolarHBondContact O-N 2.94Å; G385-V389 PolarHBondContact N-O 2.72Å
386T94.3Very high95Very high78 Ų7829.8 Ų29.848%0.47917%0.172SC..THydrogen-bonded Turntrans-66.3-13.5175.560.40000112.5N368 V370 K388N368-T386 HydrophobicContact CB-CG2 4.35Å; N368-T386 PolarHBondContact O-N 3.1Å; V370-T386 HydrophobicContact CG2-CG2 3.57Å; T386-K388 PolarHBondContact O-N 3.21Å
387D95.1Very high95.1Very high65 Ų6527.9 Ų27.935%0.34816%0.16SC..THydrogen-bonded Turntrans-74.71.7171.765.1-15.2000113.3H367 G385 V389 K391H367-D387 HydrophobicContact CB-CB 4.49Å; H367-D387 WeakPolarHBondContact CB-OD2 3.45Å; H367-D387 IonicContact CE1-OD1 2.88Å; H367-D387 IonicContact CG-OD1 3.9Å; H367-D387 IonicContact CG-OD2 3.17Å; H367-D387 IonicContact ND1-OD1 2.7Å; H367-D387 PolarHBondContact ND1-OD1 3.15Å; H367-D387 IonicContact ND1-OD2 3.73Å; H367-D387 PolarHBondContact ND1-OD2 3.32Å; H367-D387 VanDerWaalsContact ND1-OD2 3.17Å; G385-D387 WeakPolarHBondContact CA-OD1 3.38Å; G385-D387 PolarHBondContact O-N 3.41Å; D387-V389 HydrophobicContact CB-CG2 4.37Å; D387-V389 PolarHBondContact O-N 3.29Å; D387-V389 PolarHBondContact OD1-N 3.45Å; D387-K391 IonicContact OD2-NZ 3.53Å
388K96Very high95.2Very high66 Ų6623.3 Ų23.329%0.28713%0.132SC..SBendtrans64.822.9-179.8-45.9175.4173.6-163.10112.1F23 Q24 E25 V26 G385 T386F23-K388 HydrophobicContact CB-CB 4.44Å; F23-K388 WeakPolarHBondContact CD2-O 3.29Å; Q24-K388 WeakPolarHBondContact O-CD 3.35Å; Q24-K388 WeakPolarHBondContact O-CE 3.47Å; Q24-K388 PolarHBondContact O-NZ 2.91Å; E25-K388 IonicContact OE1-NZ 3.84Å; E25-K388 PolarHBondContact OE1-NZ 2.87Å; E25-K388 VanDerWaalsContact OE2-CE 3.3Å; E25-K388 WeakPolarHBondContact OE2-CE 3.28Å; E25-K388 IonicContact OE2-NZ 3.92Å; E25-K388 PolarHBondContact OE2-NZ 3.25Å; V26-K388 HydrophobicContact CG2-CG 4.41Å; G385-K388 PolarHBondContact O-N 2.94Å; T386-K388 PolarHBondContact O-N 3.21Å
389V96.2Very high95Very high13 Ų1321 Ų218%0.07912%0.117CC..  trans-111.4138.8178.8-176.70000110K19 E21 G385 D387 K391K19-V389 HydrophobicContact CB-CG1 4.21Å; E21-V389 HydrophobicContact CG-CB 4.49Å; E21-V389 HydrophobicContact CG-CG1 3.86Å; E21-V389 HydrophobicContact CG-CG2 3.88Å; G385-V389 PolarHBondContact N-O 2.72Å; D387-V389 HydrophobicContact CB-CG2 4.37Å; D387-V389 PolarHBondContact O-N 3.29Å; D387-V389 PolarHBondContact OD1-N 3.45Å; V389-K391 HydrophobicContact CG1-CG 4.01Å
390V97.2Very high94.1Very high0 Ų025.3 Ų25.30%015%0.147CC..EExtended strand (participates in β ladder)trans-100.4128.1165.2175.80000108.6K19 I20 F23 V27 L382 T383K19-V390 CarbonylContact C-O 3.59Å; K19-V390 WeakPolarHBondContact CA-O 3.2Å; I20-V390 HydrophobicContact CB-CB 4.26Å; I20-V390 PolarHBondContact N-O 3.09Å; I20-V390 PolarHBondContact O-N 3.1Å; I20-V390 VanDerWaalsContact O-N 3.08Å; F23-V390 HydrophobicContact CE2-CB 4.16Å; F23-V390 HydrophobicContact CE2-CG2 3.66Å; F23-V390 HydrophobicContact CZ-CG2 3.9Å; V27-V390 HydrophobicContact CB-CG2 4.02Å; V27-V390 HydrophobicContact CG1-CG2 3.87Å; V27-V390 HydrophobicContact CG2-CG2 3.89Å; L382-V390 HydrophobicContact CD1-CG1 3.73Å; L382-V390 HydrophobicContact CD2-CG1 3.89Å; L382-V390 HydrophobicContact CG-CG1 3.66Å; T383-V390 WeakPolarHBondContact O-CA 3.48Å
391K97.1Very high94Very high6 Ų625.2 Ų25.23%0.02615%0.147CC..EExtended strand (participates in β ladder)trans-116.2141.8177.9-64.4-179.5-176.41510109.7L16 S18 K19 S365 K366 H367 L382 T383 D387 V389 W393L16-K391 HydrophobicContact CD1-CB 3.82Å; L16-K391 HydrophobicContact CD1-CD 4.27Å; L16-K391 HydrophobicContact CD1-CG 4.19Å; S18-K391 WeakPolarHBondContact O-CA 3.5Å; K19-K391 HydrophobicContact CG-CG 4.29Å; S365-K391 PolarHBondContact O-NZ 2.66Å; K366-K391 PolarHBondContact O-NZ 3.33Å; H367-K391 VanDerWaalsContact CB-NZ 3.32Å; H367-K391 PolarHBondContact CD2-NZ 2.7Å; L382-K391 CarbonylContact C-O 3.32Å; L382-K391 WeakPolarHBondContact CA-O 3.45Å; T383-K391 PolarHBondContact N-O 3.32Å; T383-K391 PolarHBondContact O-N 3.29Å; D387-K391 IonicContact OD2-NZ 3.53Å; V389-K391 HydrophobicContact CG1-CG 4.01Å; K391-W393 HydrophobicContact CB-CZ2 4.05Å; K391-W393 HydrophobicContact CD-CH2 4.33Å; K391-W393 HydrophobicContact CD-CZ2 3.53Å; K391-W393 HydrophobicContact CG-CZ2 4.43Å
392I96.7Very high93.9Very high5 Ų526.5 Ų26.53%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-118127.1176.2-52.7173.4000107.8L17 S18 V39 Y59 N380 L381L17-I392 WeakPolarHBondContact CB-O 3.43Å; L17-I392 HydrophobicContact CD1-CG2 4.3Å; L17-I392 PolarHBondContact N-O 2.85Å; S18-I392 PolarHBondContact N-O 3.16Å; S18-I392 PolarHBondContact O-N 2.97Å; V39-I392 HydrophobicContact CG2-CD1 3.74Å; Y59-I392 HydrophobicContact CE1-CD1 4.4Å; Y59-I392 HydrophobicContact CE2-CD1 3.89Å; Y59-I392 WeakPolarHBondContact OH-CD1 3.38Å; N380-I392 HydrophobicContact CB-CG2 4.31Å; L381-I392 CarbonylContact O-C 3.43Å; L381-I392 WeakPolarHBondContact O-CA 3.32Å
393W96.5Very high93.7Very high13 Ų1327.9 Ų27.95%0.04916%0.163CC..EExtended strand (participates in β ladder)trans-120.3136.7-174.4-5186.9000109.9C15 L16 S365 N380 L381 T383 K391 M395C15-W393 CarbonylContact O-C 3.57Å; C15-W393 VanDerWaalsContact O-CA 3.31Å; C15-W393 WeakPolarHBondContact O-CA 2.97Å; L16-W393 HydrophobicContact CB-CE3 3.82Å; L16-W393 HydrophobicContact CB-CH2 4.35Å; L16-W393 HydrophobicContact CB-CZ3 3.71Å; L16-W393 HydrophobicContact CD1-CD2 3.89Å; L16-W393 HydrophobicContact CD1-CE3 3.95Å; L16-W393 HydrophobicContact CD1-CH2 3.97Å; L16-W393 HydrophobicContact CD1-CZ2 3.89Å; L16-W393 HydrophobicContact CD1-CZ3 4.01Å; L16-W393 HydrophobicContact CG-CE3 4.5Å; L16-W393 HydrophobicContact CG-CZ3 4.37Å; S365-W393 WeakPolarHBondContact O-CH2 3.33Å; S365-W393 WeakPolarHBondContact O-CZ2 3.22Å; N380-W393 CarbonylContact C-O 3.49Å; N380-W393 VanDerWaalsContact CA-O 3.24Å; N380-W393 WeakPolarHBondContact CA-O 3.41Å; L381-W393 HydrophobicContact CB-CB 4.35Å; L381-W393 PolarHBondContact N-O 3.07Å; L381-W393 VanDerWaalsContact O-CD1 3.31Å; L381-W393 PolarHBondContact O-N 3.11Å; T383-W393 PolarHBondContact OG1-NE1 3.27Å; K391-W393 HydrophobicContact CB-CZ2 4.05Å; K391-W393 HydrophobicContact CD-CH2 4.33Å; K391-W393 HydrophobicContact CD-CZ2 3.53Å; K391-W393 HydrophobicContact CG-CZ2 4.43Å; W393-M395 HydrophobicContact CB-SD 4.02Å
394D95.4Very high93.4Very high36 Ų3629.6 Ų29.619%0.19317%0.173CC..EExtended strand (participates in β ladder)trans-82.5115.7164.2172.514.7000108.7P14 C15 L17 T396P14-D394 WeakPolarHBondContact CA-O 3.41Å; C15-D394 HydrophobicContact CB-CB 4.2Å; C15-D394 PolarHBondContact N-O 3.07Å; C15-D394 PolarHBondContact O-N 2.99Å; L17-D394 HydrophobicContact CD1-CB 3.97Å; L17-D394 HydrophobicContact CD2-CB 3.9Å; L17-D394 HydrophobicContact CG-CB 3.91Å; D394-T396 VanDerWaalsContact OD1-CB 3.28Å; D394-T396 WeakPolarHBondContact OD1-CB 3.2Å; D394-T396 VanDerWaalsContact OD1-CG2 3.25Å; D394-T396 WeakPolarHBondContact OD1-CG2 3.39Å; D394-T396 PolarHBondContact OD1-N 2.85Å; D394-T396 PolarHBondContact OD1-OG1 3.07Å; D394-T396 PolarHBondContact OD2-OG1 3.14Å
395M95.2Very high93.2Very high0 Ų031.4 Ų31.40%018%0.183CC..  trans-97.9-4.6180-56.3-60.7-69.200112.9P14 I266 I268 Y374 G379 L381 W393 P397 V398 V399P14-M395 HydrophobicContact CB-CE 4.26Å; P14-M395 HydrophobicContact CB-SD 3.56Å; P14-M395 VanDerWaalsContact CB-SD 3.56Å; I266-M395 HydrophobicContact CG2-CE 3.94Å; I268-M395 HydrophobicContact CD1-CE 3.57Å; I268-M395 HydrophobicContact CG1-CE 4.43Å; Y374-M395 HydrophobicContact CE2-CB 4.23Å; Y374-M395 HydrophobicContact CE2-CG 4.36Å; G379-M395 WeakPolarHBondContact O-CA 3.3Å; G379-M395 VanDerWaalsContact O-CB 3.24Å; G379-M395 WeakPolarHBondContact O-CB 3.36Å; G379-M395 PolarHBondContact O-N 2.96Å; L381-M395 HydrophobicContact CB-CG 3.37Å; L381-M395 HydrophobicContact CB-SD 3.86Å; L381-M395 HydrophobicContact CD2-CE 4.05Å; L381-M395 HydrophobicContact CD2-CG 4.27Å; L381-M395 HydrophobicContact CD2-SD 3.82Å; L381-M395 HydrophobicContact CG-CG 4.46Å; W393-M395 HydrophobicContact CB-SD 4.02Å; M395-P397 VanDerWaalsContact O-N 3.13Å; M395-V398 HydrophobicContact CB-CG2 4.34Å; M395-V398 HydrophobicContact CE-CG2 3.67Å; M395-V398 WeakPolarHBondContact O-CG2 3.46Å; M395-V398 PolarHBondContact O-N 2.98Å; M395-V398 HydrophobicContact SD-CG2 4.45Å; M395-V399 HydrophobicContact CB-CB 4.48Å; M395-V399 HydrophobicContact CB-CG2 3.87Å; M395-V399 PolarHBondContact O-N 3.23Å
396T93Very high93.1Very high72 Ų7233.5 Ų33.544%0.44220%0.196SC..THydrogen-bonded Turntrans-54.9-29.3-179.164.30000114.6D394 V398D394-T396 VanDerWaalsContact OD1-CB 3.28Å; D394-T396 WeakPolarHBondContact OD1-CB 3.2Å; D394-T396 VanDerWaalsContact OD1-CG2 3.25Å; D394-T396 WeakPolarHBondContact OD1-CG2 3.39Å; D394-T396 PolarHBondContact OD1-N 2.85Å; D394-T396 PolarHBondContact OD1-OG1 3.07Å; D394-T396 PolarHBondContact OD2-OG1 3.14Å; T396-V398 VanDerWaalsContact C-N 3.31Å; T396-V398 PolarHBondContact O-N 3.06Å
397P92Very high93Very high33 Ų3330.4 Ų30.421%0.21418%0.175CC..THydrogen-bonded Turntrans-68.4-29.8174.8-21.635.4000113.1R12 M395R12-P397 HydrophobicContact CB-CB 4.22Å; R12-P397 WeakPolarHBondContact CB-O 3.47Å; R12-P397 WeakPolarHBondContact CD-O 3.47Å; M395-P397 VanDerWaalsContact O-N 3.13Å
398V91.3Very high92.9Very high12 Ų1227.7 Ų27.77%0.07316%0.162CC..THydrogen-bonded Turntrans-110.6-20.2-170.5-64.60000113.6R12 P14 I268 M395 T396R12-V398 VanDerWaalsContact C-CG1 3.48Å; R12-V398 HydrophobicContact CB-CG1 4.14Å; R12-V398 VanDerWaalsContact O-CG1 3.28Å; R12-V398 WeakPolarHBondContact O-CG1 3.5Å; P14-V398 HydrophobicContact CB-CG2 4.42Å; I268-V398 HydrophobicContact CG1-CB 4.49Å; I268-V398 HydrophobicContact CG1-CG2 4.26Å; M395-V398 HydrophobicContact CB-CG2 4.34Å; M395-V398 HydrophobicContact CE-CG2 3.67Å; M395-V398 WeakPolarHBondContact O-CG2 3.46Å; M395-V398 PolarHBondContact O-N 2.98Å; M395-V398 HydrophobicContact SD-CG2 4.45Å; T396-V398 VanDerWaalsContact C-N 3.31Å; T396-V398 PolarHBondContact O-N 3.06Å
399V86.1Confident92.6Very high7 Ų724.5 Ų24.54%0.04215%0.152CC..  trans-10388.6172.6-176.70000107.2A251 T254 I258 I268 M395A251-V399 HydrophobicContact CB-CG1 3.62Å; T254-V399 HydrophobicContact CG2-CG1 4.27Å; T254-V399 VanDerWaalsContact OG1-CG1 3.3Å; T254-V399 WeakPolarHBondContact OG1-CG1 3.25Å; I258-V399 HydrophobicContact CD1-CG2 3.85Å; I258-V399 HydrophobicContact CG1-CG2 4.31Å; I268-V399 HydrophobicContact CD1-CG2 4.28Å; M395-V399 HydrophobicContact CB-CB 4.48Å; M395-V399 HydrophobicContact CB-CG2 3.87Å; M395-V399 PolarHBondContact O-N 3.23Å
400S74.4Confident92.3Very high97 Ų9725.5 Ų25.568%0.67816%0.158SC*.  trans-148.20-172.172.20000112.8R12 T254 Q256R12-S400 PolarHBondContact NH1-OG 3.45Å; T254-S400 VanDerWaalsContact CG2-C 3.44Å; Q256-S400 PolarHBondContact NE2-O 3.06Å

Retrieved 400 of 400 residues in 265 ms (Link to these results)

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