A0A087XYM0_POEFO Loading...

hypoxia-inducible factor-proline dioxygenase

AlphaFold DB , UniProt , Accession A0A087XYM0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 248 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
1S36.9Very low35.1Very low169 Ų169136 Ų136100%1.18279%0.786SS**  0101.9048.20000108.5S3S1-S3 PolarHBondContact O-N 3.24Å
2S35.9Very low36.2Very low122 Ų122139.9 Ų139.985%0.85379%0.792SS**  trans-77.8114.3175.733.90000109.1
3S31.7Very low37.5Very low110 Ų110139.4 Ų139.477%0.76979%0.786SS**PPolyproline II helixtrans-57.1135.7169.3-53.50000109.3S1S1-S3 PolarHBondContact O-N 3.24Å
4P35.8Very low39.4Very low109 Ų109133.7 Ų133.771%0.70876%0.756SS**PPolyproline II helixtrans-67.1153.217928.6-32.2000110V6P4-V6 PolarHBondContact O-N 3.15Å
5P35.9Very low41.9Very low119 Ų119127.5 Ų127.577%0.77372%0.724SS**PPolyproline II helixtrans-60.7127.5174.125.8-31.6000108.7K7P5-K7 PolarHBondContact O-N 3.12Å
6V35.2Very low44.1Very low135 Ų135128.4 Ų128.482%0.81871%0.714SS**  trans-58.8105.1172.7178.50000107.2P4 M8P4-V6 PolarHBondContact O-N 3.15Å; V6-M8 PolarHBondContact O-N 3.43Å; V6-M8 VanDerWaalsContact O-N 3.08Å
7K30Very low46.4Very low196 Ų196125.7 Ų125.785%0.85270%0.702SS**  trans-61.2110.7166.5-86.6-179.7173.6178.30106.7P5P5-K7 PolarHBondContact O-N 3.12Å
8M31.5Very low48.7Very low169 Ų169122.4 Ų122.483%0.83368%0.683SS**PPolyproline II helixtrans-56.8127.8166.9-69.7-163.6-176.400107.8V6 F10V6-M8 PolarHBondContact O-N 3.43Å; V6-M8 VanDerWaalsContact O-N 3.08Å; M8-F10 PolarHBondContact O-N 3.29Å
9P33.6Very low50.8Low93 Ų93116.2 Ų116.260%0.60465%0.648SS**PPolyproline II helixtrans-61.5131.9174.925.7-30.2000107.7I11 L46P9-I11 PolarHBondContact O-N 3.35Å; P9-I11 VanDerWaalsContact O-N 3.12Å; P9-L46 HydrophobicContact CG-CD2 3.99Å
10F34.4Very low52.7Low198 Ų198112.8 Ų112.887%0.86863%0.627SS**PPolyproline II helixtrans-47.4118.9177.8-90.1-106.3000109.6M8 E12M8-F10 PolarHBondContact O-N 3.29Å; F10-E12 PolarHBondContact O-N 2.92Å
11I45.1Very low54.6Low76 Ų76113.5 Ų113.539%0.3962%0.62SS.*PPolyproline II helixtrans-53.7123.4167-61.3168.5000106.2P9 N13 F101P9-I11 PolarHBondContact O-N 3.35Å; P9-I11 VanDerWaalsContact O-N 3.12Å; I11-N13 PolarHBondContact O-N 3.4Å; I11-F101 HydrophobicContact CD1-CD2 4.42Å; I11-F101 HydrophobicContact CD1-CE2 4.13Å; I11-F101 HydrophobicContact CD1-CZ 4.21Å; I11-F101 HydrophobicContact CG2-CE1 4.3Å; I11-F101 HydrophobicContact CG2-CE2 4.47Å; I11-F101 HydrophobicContact CG2-CZ 3.77Å
12E47.8Very low57.3Low183 Ų183106.7 Ų106.786%0.85557%0.57SS**  trans-54.5108.9167.2-81.1-178.2162.400106.9F10 V14F10-E12 PolarHBondContact O-N 2.92Å; E12-V14 PolarHBondContact O-N 3Å
13N54.1Low60Low133 Ų133100.9 Ų100.971%0.71153%0.529SS*.  trans-61.9105.5179.4-75.3-51.8000106.8I11 S15I11-N13 PolarHBondContact O-N 3.4Å; N13-S15 VanDerWaalsContact C-N 3.33Å; N13-S15 PolarHBondContact O-N 3.19Å
14V63.3Low62.9Low60 Ų6098.8 Ų98.836%0.36451%0.509SS..  trans-51.8108160.5-176.60000105.2E12 D18 L19 L105E12-V14 PolarHBondContact O-N 3Å; V14-D18 HydrophobicContact CG1-CB 4Å; V14-L19 HydrophobicContact CG1-CD2 3.63Å; V14-L19 HydrophobicContact CG1-CG 3.79Å; V14-L105 HydrophobicContact CB-CD1 4.28Å
15S76.9Confident65.7Low41 Ų41100 Ų10029%0.28751%0.505SS..  trans-68.6155.3-170.375.90000108.7N13 T17 D18 L19N13-S15 VanDerWaalsContact C-N 3.33Å; N13-S15 PolarHBondContact O-N 3.19Å; S15-T17 PolarHBondContact O-N 2.83Å; S15-T17 VanDerWaalsContact O-N 3.16Å; S15-T17 PolarHBondContact OG-N 3.24Å; S15-D18 VanDerWaalsContact CB-OD2 3.29Å; S15-D18 WeakPolarHBondContact CB-OD2 3.44Å; S15-D18 PolarHBondContact N-OD2 3.39Å; S15-D18 VanDerWaalsContact N-OD2 3.1Å; S15-D18 PolarHBondContact O-N 3.48Å; S15-D18 PolarHBondContact OG-N 3.28Å; S15-D18 VanDerWaalsContact OG-N 3.1Å; S15-D18 PolarHBondContact OG-OD2 2.74Å; S15-L19 PolarHBondContact O-N 2.89Å; S15-L19 VanDerWaalsContact O-N 3.1Å
16Y77.3Confident68.5Low141 Ų141100.2 Ų100.255%0.55349%0.491SS*.Hα-helixtrans-53.7-36.5173.4-178.4-91.2000111.3L19 E20 V112Y16-L19 PolarHBondContact O-N 3.34Å; Y16-E20 WeakPolarHBondContact O-CB 3.32Å; Y16-E20 PolarHBondContact O-N 2.87Å; Y16-V112 HydrophobicContact CE2-CG2 4.4Å
17T84.3Confident71.2Confident83 Ų8393.8 Ų93.851%0.50945%0.452SS..Hα-helixtrans-64-38.2175.5-53.20000112.6S15 E20 R21S15-T17 PolarHBondContact O-N 2.83Å; S15-T17 VanDerWaalsContact O-N 3.16Å; S15-T17 PolarHBondContact OG-N 3.24Å; T17-E20 PolarHBondContact O-N 2.98Å; T17-R21 WeakPolarHBondContact O-CB 3.27Å; T17-R21 PolarHBondContact O-N 2.89Å
18D87.3Confident74.3Confident67 Ų6785.4 Ų85.436%0.35842%0.416SS..Hα-helixtrans-68.8-40.9177.6-61.2-46.3000111.6V14 S15 E20 R21 L22V14-D18 HydrophobicContact CG1-CB 4Å; S15-D18 VanDerWaalsContact CB-OD2 3.29Å; S15-D18 WeakPolarHBondContact CB-OD2 3.44Å; S15-D18 PolarHBondContact N-OD2 3.39Å; S15-D18 VanDerWaalsContact N-OD2 3.1Å; S15-D18 PolarHBondContact O-N 3.48Å; S15-D18 PolarHBondContact OG-N 3.28Å; S15-D18 VanDerWaalsContact OG-N 3.1Å; S15-D18 PolarHBondContact OG-OD2 2.74Å; D18-E20 VanDerWaalsContact C-N 3.34Å; D18-R21 PolarHBondContact O-N 2.8Å; D18-R21 IonicContact OD1-NH1 3.2Å; D18-L22 VanDerWaalsContact O-CB 3.28Å; D18-L22 WeakPolarHBondContact O-CB 3.37Å; D18-L22 PolarHBondContact O-N 2.87Å
19L87.6Confident77.3Confident4 Ų480.1 Ų80.12%0.02139%0.394CS..Hα-helixtrans-64-40.5173.5-66.9178.1000111.7V14 S15 Y16 L22 A23 L105 R108 L109V14-L19 HydrophobicContact CG1-CD2 3.63Å; V14-L19 HydrophobicContact CG1-CG 3.79Å; S15-L19 PolarHBondContact O-N 2.89Å; S15-L19 VanDerWaalsContact O-N 3.1Å; Y16-L19 PolarHBondContact O-N 3.34Å; L19-L22 PolarHBondContact O-N 2.77Å; L19-A23 VanDerWaalsContact O-CB 3.32Å; L19-A23 WeakPolarHBondContact O-CB 3.27Å; L19-A23 PolarHBondContact O-N 2.83Å; L19-L105 HydrophobicContact CD1-CD1 3.82Å; L19-L105 HydrophobicContact CD2-CD1 3.93Å; L19-L105 HydrophobicContact CD2-CG 4.37Å; L19-L105 HydrophobicContact CG-CD1 4.38Å; L19-R108 HydrophobicContact CD1-CB 3.93Å; L19-L109 HydrophobicContact CB-CD1 4.49Å; L19-L109 HydrophobicContact CD2-CD1 4.21Å
20E90.3Very high80.2Confident48 Ų4876.5 Ų76.522%0.22437%0.372CS..Hα-helixtrans-64.9-44.7177.3-176.7167.1-15400111.5Y16 T17 D18 A23 L24 V112 R116Y16-E20 WeakPolarHBondContact O-CB 3.32Å; Y16-E20 PolarHBondContact O-N 2.87Å; T17-E20 PolarHBondContact O-N 2.98Å; D18-E20 VanDerWaalsContact C-N 3.34Å; E20-A23 PolarHBondContact O-N 2.9Å; E20-L24 HydrophobicContact CG-CD1 3.66Å; E20-L24 HydrophobicContact CG-CG 4.21Å; E20-L24 WeakPolarHBondContact O-CB 3.37Å; E20-L24 VanDerWaalsContact O-CG 3.3Å; E20-L24 WeakPolarHBondContact O-CG 3.42Å; E20-L24 PolarHBondContact O-N 2.8Å; E20-V112 HydrophobicContact CB-CG1 4.42Å; E20-V112 HydrophobicContact CG-CG1 4.19Å; E20-R116 IonicContact OE1-CZ 3.83Å; E20-R116 IonicContact OE1-NE 3.95Å; E20-R116 IonicContact OE1-NH2 3.87Å; E20-R116 PolarHBondContact OE1-NH2 2.86Å
21R92.8Very high83.1Confident128 Ų12867.1 Ų67.148%0.48333%0.331SS..Hα-helixtrans-59.2-49174.2-168.8-176.3-67141.22.8111.3T17 D18 A23 L24 E25T17-R21 WeakPolarHBondContact O-CB 3.27Å; T17-R21 PolarHBondContact O-N 2.89Å; D18-R21 PolarHBondContact O-N 2.8Å; D18-R21 IonicContact OD1-NH1 3.2Å; R21-A23 VanDerWaalsContact C-N 3.32Å; R21-A23 PolarHBondContact O-N 3.41Å; R21-L24 PolarHBondContact O-N 2.88Å; R21-E25 HydrophobicContact CG-CG 4.05Å; R21-E25 WeakPolarHBondContact CG-OE1 3.33Å; R21-E25 WeakPolarHBondContact CG-OE2 3.41Å; R21-E25 VanDerWaalsContact O-CB 3.29Å; R21-E25 WeakPolarHBondContact O-CB 3.42Å; R21-E25 PolarHBondContact O-N 3.13Å
22L92.9Very high85.3Confident26 Ų2669.1 Ų69.114%0.13634%0.342CS..Hα-helixtrans-57.4-44.8178-179.460.1000111.9D18 L19 R26 L27 V39 L42 L109D18-L22 VanDerWaalsContact O-CB 3.28Å; D18-L22 WeakPolarHBondContact O-CB 3.37Å; D18-L22 PolarHBondContact O-N 2.87Å; L19-L22 PolarHBondContact O-N 2.77Å; L22-R26 HydrophobicContact CD1-CB 4.28Å; L22-R26 WeakPolarHBondContact O-CB 3.46Å; L22-R26 PolarHBondContact O-N 2.96Å; L22-L27 HydrophobicContact CG-CD1 4.31Å; L22-L27 HydrophobicContact CG-CG 4.37Å; L22-L27 PolarHBondContact O-N 3.39Å; L22-V39 HydrophobicContact CD1-CG1 4.1Å; L22-V39 HydrophobicContact CD1-CG2 3.76Å; L22-V39 HydrophobicContact CD2-CG1 4.13Å; L22-V39 HydrophobicContact CD2-CG2 4.21Å; L22-V39 HydrophobicContact CG-CG2 4.33Å; L22-L42 HydrophobicContact CD2-CD1 4.45Å; L22-L109 HydrophobicContact CB-CD1 4.47Å; L22-L109 HydrophobicContact CD2-CD1 4.07Å; L22-L109 HydrophobicContact CD2-CD2 4.35Å; L22-L109 HydrophobicContact CG-CD1 4.28Å
23A92.9Very high87.5Confident0 Ų063.1 Ų63.10%032%0.32CS..Iπ-helixtrans-62.7-52.617800000112L19 E20 R21 L27 I28 L109 V112L19-A23 VanDerWaalsContact O-CB 3.32Å; L19-A23 WeakPolarHBondContact O-CB 3.27Å; L19-A23 PolarHBondContact O-N 2.83Å; E20-A23 PolarHBondContact O-N 2.9Å; R21-A23 VanDerWaalsContact C-N 3.32Å; R21-A23 PolarHBondContact O-N 3.41Å; A23-L27 PolarHBondContact O-N 2.87Å; A23-I28 WeakPolarHBondContact O-CB 3.29Å; A23-I28 WeakPolarHBondContact O-CG1 3.25Å; A23-I28 PolarHBondContact O-N 3.47Å; A23-L109 HydrophobicContact CB-CD1 4.19Å; A23-V112 HydrophobicContact CB-CB 4.1Å; A23-V112 HydrophobicContact CB-CG1 3.68Å
24L92.2Very high89.3Confident66 Ų6661.2 Ų61.235%0.34631%0.307SS..Iπ-helixtrans-73.7-42.4-171.9-70.1179.1000113.3E20 R21 I28 P29 R116E20-L24 HydrophobicContact CG-CD1 3.66Å; E20-L24 HydrophobicContact CG-CG 4.21Å; E20-L24 WeakPolarHBondContact O-CB 3.37Å; E20-L24 VanDerWaalsContact O-CG 3.3Å; E20-L24 WeakPolarHBondContact O-CG 3.42Å; E20-L24 PolarHBondContact O-N 2.8Å; R21-L24 PolarHBondContact O-N 2.88Å; L24-I28 HydrophobicContact CD2-CD1 4.02Å; L24-P29 VanDerWaalsContact O-CD 3.27Å; L24-P29 WeakPolarHBondContact O-CD 3.27Å; L24-P29 WeakPolarHBondContact O-CG 3.5Å; L24-R116 HydrophobicContact CD2-CB 4.03Å; L24-R116 HydrophobicContact CD2-CG 3.55Å
25E94.2Very high90.8Very high133 Ų13358.9 Ų58.962%0.62130%0.295SS*.Iπ-helixtrans-90.6-22.4-171.5-62.1-179.1-176.900112.6R21R21-E25 HydrophobicContact CG-CG 4.05Å; R21-E25 WeakPolarHBondContact CG-OE1 3.33Å; R21-E25 WeakPolarHBondContact CG-OE2 3.41Å; R21-E25 VanDerWaalsContact O-CB 3.29Å; R21-E25 WeakPolarHBondContact O-CB 3.42Å; R21-E25 PolarHBondContact O-N 3.13Å
26R93.9Very high91.8Very high125 Ų12558.1 Ų58.147%0.47229%0.286SS..Iπ-helixtrans-124.1-57.6-174.7-61-173.462.5-165.6-4.2113.8L22 A30L22-R26 HydrophobicContact CD1-CB 4.28Å; L22-R26 WeakPolarHBondContact O-CB 3.46Å; L22-R26 PolarHBondContact O-N 2.96Å; R26-A30 WeakPolarHBondContact O-CB 3.45Å; R26-A30 PolarHBondContact O-N 2.78Å; R26-A30 VanDerWaalsContact O-N 3.17Å
27L93.7Very high92.8Very high0 Ų051.9 Ų51.90%026%0.263CS..Iπ-helixtrans-68.2-53.1-170.2-65.1177.4000112.6L22 A23 A30 L31 C37 V39 L109 I195L22-L27 HydrophobicContact CG-CD1 4.31Å; L22-L27 HydrophobicContact CG-CG 4.37Å; L22-L27 PolarHBondContact O-N 3.39Å; A23-L27 PolarHBondContact O-N 2.87Å; L27-A30 PolarHBondContact O-N 2.75Å; L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 2.88Å; L27-C37 HydrophobicContact CD2-CB 3.81Å; L27-V39 HydrophobicContact CD2-CG2 3.77Å; L27-L109 HydrophobicContact CD1-CD1 3.52Å; L27-L109 HydrophobicContact CD1-CD2 3.66Å; L27-L109 HydrophobicContact CD1-CG 3.57Å; L27-I195 HydrophobicContact CD1-CD1 3.98Å; L27-I195 HydrophobicContact CD2-CD1 4.02Å
28I94Very high93.4Very high19 Ų1952.1 Ų52.110%0.09726%0.255CS..Hα-helixtrans-61.2-51.2-177.7-69.3165.6000111A23 L24 A30 L31 L32 C113 R116 L117A23-I28 WeakPolarHBondContact O-CB 3.29Å; A23-I28 WeakPolarHBondContact O-CG1 3.25Å; A23-I28 PolarHBondContact O-N 3.47Å; L24-I28 HydrophobicContact CD2-CD1 4.02Å; I28-A30 VanDerWaalsContact C-N 3.33Å; I28-A30 PolarHBondContact O-N 2.68Å; I28-L31 PolarHBondContact O-N 2.97Å; I28-L32 HydrophobicContact CG2-CD1 3.84Å; I28-L32 HydrophobicContact CG2-CG 4.44Å; I28-L32 WeakPolarHBondContact O-CG 3.13Å; I28-L32 PolarHBondContact O-N 3.4Å; I28-C113 HydrophobicContact CG1-CB 4.31Å; I28-R116 HydrophobicContact CD1-CB 3.57Å; I28-R116 HydrophobicContact CD1-CG 4.36Å; I28-L117 HydrophobicContact CG1-CD2 4.48Å; I28-L117 HydrophobicContact CG1-CG 4.26Å; I28-L117 HydrophobicContact CG2-CD2 3.77Å; I28-L117 HydrophobicContact CG2-CG 4.42Å
29P95.1Very high93.8Very high58 Ų5849.3 Ų49.338%0.37724%0.241SC..Hα-helixtrans-56.7-46.1177.9-26.635.8000112.4L24 L32 S33L24-P29 VanDerWaalsContact O-CD 3.27Å; L24-P29 WeakPolarHBondContact O-CD 3.27Å; L24-P29 WeakPolarHBondContact O-CG 3.5Å; P29-L32 PolarHBondContact O-N 3.29Å; P29-S33 WeakPolarHBondContact O-CB 3.34Å; P29-S33 PolarHBondContact O-N 3.33Å; P29-S33 PolarHBondContact O-OG 2.68Å
30A95.2Very high94.3Very high17 Ų1752.9 Ų52.914%0.1426%0.26CS..Hα-helixtrans-67.9-38.5-178.600000113.2R26 L27 I28 L32 S33 H34 G35 C37R26-A30 WeakPolarHBondContact O-CB 3.45Å; R26-A30 PolarHBondContact O-N 2.78Å; R26-A30 VanDerWaalsContact O-N 3.17Å; L27-A30 PolarHBondContact O-N 2.75Å; I28-A30 VanDerWaalsContact C-N 3.33Å; I28-A30 PolarHBondContact O-N 2.68Å; A30-L32 VanDerWaalsContact C-N 3.31Å; A30-L32 PolarHBondContact O-N 2.92Å; A30-S33 PolarHBondContact O-N 3.23Å; A30-H34 WeakPolarHBondContact O-CA 3.12Å; A30-H34 WeakPolarHBondContact O-CB 3.13Å; A30-H34 PolarHBondContact O-N 3.01Å; A30-G35 PolarHBondContact O-N 2.79Å; A30-C37 HydrophobicContact CB-CB 3.7Å
31L93.6Very high94.6Very high2 Ų253 Ų531%0.0128%0.275CS..Hα-helixtrans-62.7-39.6173.9-77.7171.7000111.5L27 I28 G35 L154 I195 W197L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 2.88Å; I28-L31 PolarHBondContact O-N 2.97Å; L31-G35 VanDerWaalsContact O-CA 3.27Å; L31-G35 WeakPolarHBondContact O-CA 3.11Å; L31-G35 PolarHBondContact O-N 2.78Å; L31-L154 HydrophobicContact CD1-CD2 4.35Å; L31-L154 HydrophobicContact CD2-CD2 4.46Å; L31-I195 HydrophobicContact CD1-CG2 4.25Å; L31-I195 HydrophobicContact CD2-CG2 4.25Å; L31-W197 HydrophobicContact CB-CZ2 3.95Å; L31-W197 PolarHBondContact O-NE1 3.19Å
32L92.8Very high94.7Very high117 Ų11747.5 Ų47.561%0.61326%0.255SS*.Hα-helixtrans-73.8-37.9178.9-67175.3000112.7I28 P29 A30 L117I28-L32 HydrophobicContact CG2-CD1 3.84Å; I28-L32 HydrophobicContact CG2-CG 4.44Å; I28-L32 WeakPolarHBondContact O-CG 3.13Å; I28-L32 PolarHBondContact O-N 3.4Å; P29-L32 PolarHBondContact O-N 3.29Å; A30-L32 VanDerWaalsContact C-N 3.31Å; A30-L32 PolarHBondContact O-N 2.92Å; L32-L117 HydrophobicContact CD1-CD2 4.15Å; L32-L117 HydrophobicContact CD2-CD2 4.02Å; L32-L117 HydrophobicContact CG-CD2 4.2Å
33S92.9Very high94.8Very high57 Ų5747.4 Ų47.440%0.39925%0.254SS..Hα-helixtrans-86.6-41.4-176.463.80000114P29 A30P29-S33 WeakPolarHBondContact O-CB 3.34Å; P29-S33 PolarHBondContact O-N 3.33Å; P29-S33 PolarHBondContact O-OG 2.68Å; A30-S33 PolarHBondContact O-N 3.23Å
34H93.4Very high94.9Very high94 Ų9448.9 Ų48.944%0.43527%0.269SS..Hα-helixtrans-113.1-18.7-170.2-54.5-57.2000113.6A30 F36A30-H34 WeakPolarHBondContact O-CA 3.12Å; A30-H34 WeakPolarHBondContact O-CB 3.13Å; A30-H34 PolarHBondContact O-N 3.01Å; H34-F36 VanDerWaalsContact C-N 3.31Å; H34-F36 HydrophobicContact CB-CD1 4.48Å; H34-F36 HydrophobicContact CB-CE1 4.3Å; H34-F36 WeakPolarHBondContact O-CD1 3.41Å
35G94.7Very high95.1Very high10 Ų1050.7 Ų50.710%0.10328%0.279CS..SBendtrans86.4-5-178.400000115A30 L31 W197 N202A30-G35 PolarHBondContact O-N 2.79Å; L31-G35 VanDerWaalsContact O-CA 3.27Å; L31-G35 WeakPolarHBondContact O-CA 3.11Å; L31-G35 PolarHBondContact O-N 2.78Å; G35-W197 VanDerWaalsContact O-CD1 3.26Å; G35-W197 PolarHBondContact O-N 3.3Å; G35-N202 PolarHBondContact O-ND2 3.43Å
36F97.3Very high95.2Very high25 Ų2549.8 Ų49.811%0.1128%0.278CS..EExtended strand (participates in β ladder)trans-153.5160.8177.766.5-87.1000111.1H34 I175 P177 Y182 A184 I186 L194 I195 F196H34-F36 VanDerWaalsContact C-N 3.31Å; H34-F36 HydrophobicContact CB-CD1 4.48Å; H34-F36 HydrophobicContact CB-CE1 4.3Å; H34-F36 WeakPolarHBondContact O-CD1 3.41Å; F36-I175 HydrophobicContact CB-CD1 4.32Å; F36-I175 HydrophobicContact CD1-CD1 4.47Å; F36-I175 HydrophobicContact CD2-CD1 4.5Å; F36-I175 HydrophobicContact CG-CD1 4.18Å; F36-P177 HydrophobicContact CD1-CG 4.47Å; F36-P177 HydrophobicContact CE1-CG 4.07Å; F36-Y182 HydrophobicContact CE1-CE2 4.22Å; F36-A184 HydrophobicContact CE1-CB 3.71Å; F36-A184 HydrophobicContact CE2-CB 4.07Å; F36-A184 HydrophobicContact CZ-CB 3.32Å; F36-I186 HydrophobicContact CD2-CD1 4.34Å; F36-I186 HydrophobicContact CE2-CD1 3.97Å; F36-L194 HydrophobicContact CD2-CD1 4.41Å; F36-I195 CarbonylContact C-O 3.53Å; F36-I195 VanDerWaalsContact CA-O 3.22Å; F36-I195 WeakPolarHBondContact CA-O 3.43Å; F36-F196 HydrophobicContact CB-CB 3.52Å
37C97.4Very high95.3Very high11 Ų1144.5 Ų44.57%0.07426%0.261CS..EExtended strand (participates in β ladder)trans-148.6146.2172.6-165.70000110L27 A30 I195L27-C37 HydrophobicContact CD2-CB 3.81Å; A30-C37 HydrophobicContact CB-CB 3.7Å; C37-I195 PolarHBondContact N-O 3.1Å; C37-I195 PolarHBondContact O-N 2.89Å
38Y97.5Very high95.5Very high87 Ų8744.5 Ų44.534%0.34126%0.261SS..EExtended strand (participates in β ladder)trans-127152.4167.769-99.5000112I186 R192 L193Y38-I186 HydrophobicContact CD1-CD1 3.97Å; Y38-I186 HydrophobicContact CE1-CD1 4.21Å; Y38-R192 HydrophobicContact CD2-CG 4.45Å; Y38-L193 CarbonylContact C-O 3.55Å; Y38-L193 WeakPolarHBondContact CA-O 3.44Å; Y38-L193 WeakPolarHBondContact CB-O 3.49Å
39V96.4Very high95.7Very high9 Ų944.7 Ų44.76%0.05526%0.264CS..EExtended strand (participates in β ladder)trans-127.5121.8178.6-177.10000107.4L22 L27 R192 L193L22-V39 HydrophobicContact CD1-CG1 4.1Å; L22-V39 HydrophobicContact CD1-CG2 3.76Å; L22-V39 HydrophobicContact CD2-CG1 4.13Å; L22-V39 HydrophobicContact CD2-CG2 4.21Å; L22-V39 HydrophobicContact CG-CG2 4.33Å; L27-V39 HydrophobicContact CD2-CG2 3.77Å; V39-R192 CarbonylContact O-C 3.55Å; V39-R192 VanDerWaalsContact O-CA 3.31Å; V39-R192 WeakPolarHBondContact O-CA 3.25Å; V39-L193 PolarHBondContact N-O 3.41Å; V39-L193 PolarHBondContact O-N 3.48Å
40D97.4Very high95.9Very high78 Ų7843.8 Ų43.842%0.41726%0.262SS..EExtended strand (participates in β ladder)trans-90.1147.6171.4-68.1-42.1000109.6R192D40-R192 VanDerWaalsContact CG-NH2 3.27Å; D40-R192 WeakPolarHBondContact OD1-CB 3.43Å; D40-R192 IonicContact OD1-CZ 3.09Å; D40-R192 IonicContact OD1-NE 3.75Å; D40-R192 PolarHBondContact OD1-NE 2.61Å; D40-R192 IonicContact OD1-NH2 3.78Å; D40-R192 PolarHBondContact OD1-NH2 3.1Å; D40-R192 IonicContact OD2-CZ 2.93Å; D40-R192 IonicContact OD2-NE 3.93Å; D40-R192 IonicContact OD2-NH2 3.6Å; D40-R192 PolarHBondContact OD2-NH2 2.97Å
41G95.6Very high96Very high52 Ų5243 Ų4354%0.53626%0.255SS..SBendtrans74.232.7175.100000113.5D191G41-D191 WeakPolarHBondContact CA-OD2 3.47Å; G41-D191 PolarHBondContact N-O 3.02Å
42L95.1Very high96.3Very high12 Ų1244.1 Ų44.16%0.06326%0.261CS..SBendtrans-62.1-45.9-173.6179.370.8000112.7L22 L102 L105 Y158 D191 L193L22-L42 HydrophobicContact CD2-CD1 4.45Å; L42-L102 HydrophobicContact CD2-CD1 4.15Å; L42-L105 HydrophobicContact CD1-CD2 4.06Å; L42-L105 HydrophobicContact CD2-CD2 4.12Å; L42-L105 HydrophobicContact CG-CD2 3.85Å; L42-Y158 HydrophobicContact CB-CE2 4.31Å; L42-Y158 HydrophobicContact CD2-CD2 4.3Å; L42-Y158 HydrophobicContact CD2-CE2 4.29Å; L42-D191 PolarHBondContact N-O 3.31Å; L42-D191 PolarHBondContact N-OD1 3.45Å; L42-D191 PolarHBondContact N-OD2 2.95Å; L42-D191 VanDerWaalsContact N-OD2 3.15Å; L42-L193 HydrophobicContact CD2-CB 3.86Å; L42-L193 HydrophobicContact CD2-CD2 3.79Å; L42-L193 HydrophobicContact CD2-CG 4.33Å
43L95.3Very high96.6Very high24 Ų2443.7 Ų43.713%0.12626%0.259CS..SBendtrans-102.5-22-175.8-61.5-170.3000112.8A47 V51 F101 L102 L105 Y158 D191L43-A47 HydrophobicContact CB-CB 3.88Å; L43-A47 HydrophobicContact CD1-CB 4.47Å; L43-V51 HydrophobicContact CD1-CG2 3.8Å; L43-F101 HydrophobicContact CD2-CD1 4.42Å; L43-F101 HydrophobicContact CD2-CE1 4.07Å; L43-L102 HydrophobicContact CD1-CB 4.21Å; L43-L102 HydrophobicContact CD1-CD1 3.92Å; L43-L102 HydrophobicContact CD2-CD1 4.28Å; L43-L102 HydrophobicContact CG-CD1 4.26Å; L43-L105 HydrophobicContact CD2-CD2 3.36Å; L43-Y158 HydrophobicContact CD1-CE1 4.28Å; L43-Y158 HydrophobicContact CD1-CE2 4.42Å; L43-Y158 WeakPolarHBondContact CD1-OH 3.5Å; L43-Y158 HydrophobicContact CG-CE2 4.26Å; L43-D191 WeakPolarHBondContact CB-OD1 3.32Å; L43-D191 PolarHBondContact N-OD1 3.39Å; L43-D191 PolarHBondContact N-OD2 2.85Å
44G95.4Very high96.8Very high31 Ų3142.5 Ų42.532%0.3225%0.247SC..Hα-helixtrans80168.1-16600000112.7L46 G48 D191G44-L46 PolarHBondContact O-N 2.74Å; G44-G48 PolarHBondContact O-N 3.35Å; G44-D191 WeakPolarHBondContact CA-OD2 3.48Å; G44-D191 PolarHBondContact N-OD2 3.19Å
45D95.4Very high97.1Very high104 Ų10438 Ų3856%0.55623%0.227SC*.Hα-helixtrans-61.9-41.2-171.5-174.971000113.2S49 K162D45-S49 WeakPolarHBondContact O-CB 3.36Å; D45-S49 PolarHBondContact O-N 2.64Å; D45-S49 PolarHBondContact O-OG 3.47Å; D45-K162 IonicContact OD1-NZ 3.96Å; D45-K162 PolarHBondContact OD1-NZ 2.89Å; D45-K162 IonicContact OD2-NZ 2.92Å
46L96.4Very high97.3Very high113 Ų11340 Ų4059%0.59224%0.237SC*.Hα-helixtrans-63.4-55.6-178.1-179.365.5000112.1P9 G44 S49 A50P9-L46 HydrophobicContact CG-CD2 3.99Å; G44-L46 PolarHBondContact O-N 2.74Å; L46-S49 PolarHBondContact O-N 2.87Å; L46-A50 PolarHBondContact O-N 2.84Å; L46-A50 VanDerWaalsContact O-N 3.13Å
47A96.6Very high97.3Very high15 Ų1542.8 Ų42.812%0.12425%0.25CS..Hα-helixtrans-71.5-38.9-177.400000111.6L43 S49 A50 V51L43-A47 HydrophobicContact CB-CB 3.88Å; L43-A47 HydrophobicContact CD1-CB 4.47Å; A47-S49 VanDerWaalsContact C-N 3.29Å; A47-S49 PolarHBondContact O-N 3.17Å; A47-A50 PolarHBondContact O-N 3.03Å; A47-V51 WeakPolarHBondContact O-CG2 3.22Å; A47-V51 PolarHBondContact O-N 2.87Å; A47-V51 VanDerWaalsContact O-N 3.12Å
48G98.2Very high97.3Very high0 Ų042.6 Ų42.60%025%0.248CC..Hα-helixtrans-60.7-37.2172.900000112.8G44 V51 L52 Y158 F190G44-G48 PolarHBondContact O-N 3.35Å; G48-V51 PolarHBondContact O-N 3.36Å; G48-L52 PolarHBondContact O-N 3.33Å; G48-Y158 WeakPolarHBondContact CA-OH 3.33Å; G48-F190 VanDerWaalsContact C-CZ 3.45Å
49S98.6Very high97.3Very high22 Ų2240.7 Ų40.715%0.15424%0.242CC..Hα-helixtrans-66.9-41.6176-60.50000111.4D45 L46 A47 V51 L52 D53 K162D45-S49 WeakPolarHBondContact O-CB 3.36Å; D45-S49 PolarHBondContact O-N 2.64Å; D45-S49 PolarHBondContact O-OG 3.47Å; L46-S49 PolarHBondContact O-N 2.87Å; A47-S49 VanDerWaalsContact C-N 3.29Å; A47-S49 PolarHBondContact O-N 3.17Å; S49-V51 VanDerWaalsContact C-N 3.29Å; S49-V51 PolarHBondContact O-N 3.39Å; S49-L52 WeakPolarHBondContact O-CB 3.27Å; S49-L52 PolarHBondContact O-N 2.93Å; S49-L52 VanDerWaalsContact O-N 3.1Å; S49-D53 VanDerWaalsContact O-CG 3.29Å; S49-D53 PolarHBondContact O-N 2.9Å; S49-K162 WeakPolarHBondContact OG-CE 3.32Å; S49-K162 PolarHBondContact OG-NZ 2.83Å
50A98.6Very high97.3Very high40 Ų4049 Ų4933%0.33127%0.273SS..Hα-helixtrans-61.1-37.8176.100000112.3L46 A47 Q54 A98L46-A50 PolarHBondContact O-N 2.84Å; L46-A50 VanDerWaalsContact O-N 3.13Å; A47-A50 PolarHBondContact O-N 3.03Å; A50-Q54 WeakPolarHBondContact O-CG 3.32Å; A50-Q54 PolarHBondContact O-N 3.33Å; A50-A98 HydrophobicContact CB-CB 3.85Å
51V98.8Very high97.2Very high1 Ų147.9 Ų47.91%0.00627%0.271CS..Hα-helixtrans-65.4-44.5172.9-177.60000110.8L43 A47 G48 S49 D53 Q54 V55 A98 I99 L102 Y158 L160 I216L43-V51 HydrophobicContact CD1-CG2 3.8Å; A47-V51 WeakPolarHBondContact O-CG2 3.22Å; A47-V51 PolarHBondContact O-N 2.87Å; A47-V51 VanDerWaalsContact O-N 3.12Å; G48-V51 PolarHBondContact O-N 3.36Å; S49-V51 VanDerWaalsContact C-N 3.29Å; S49-V51 PolarHBondContact O-N 3.39Å; V51-D53 PolarHBondContact O-N 3.28Å; V51-Q54 PolarHBondContact O-N 2.75Å; V51-V55 WeakPolarHBondContact O-CG2 3.32Å; V51-V55 PolarHBondContact O-N 3.09Å; V51-V55 VanDerWaalsContact O-N 3.09Å; V51-A98 HydrophobicContact CG2-CB 3.91Å; V51-I99 HydrophobicContact CG1-CG1 4.04Å; V51-L102 HydrophobicContact CG1-CD2 4.12Å; V51-L102 HydrophobicContact CG2-CB 4.25Å; V51-Y158 HydrophobicContact CB-CE1 4.49Å; V51-Y158 HydrophobicContact CG1-CE1 4.27Å; V51-L160 HydrophobicContact CB-CD2 3.96Å; V51-L160 HydrophobicContact CG1-CD2 3.65Å; V51-I216 HydrophobicContact CG1-CD1 3.57Å
52L98.8Very high97.2Very high25 Ų2547.9 Ų47.913%0.13127%0.271CS..Hα-helixtrans-60-44.9177.817261000111.5G48 S49 Q54 V55 V56 L160 K162 F190 Y214G48-L52 PolarHBondContact O-N 3.33Å; S49-L52 WeakPolarHBondContact O-CB 3.27Å; S49-L52 PolarHBondContact O-N 2.93Å; S49-L52 VanDerWaalsContact O-N 3.1Å; L52-Q54 VanDerWaalsContact C-N 3.32Å; L52-Q54 PolarHBondContact O-N 3.25Å; L52-V55 PolarHBondContact O-N 3.48Å; L52-V55 VanDerWaalsContact O-N 3.15Å; L52-V56 HydrophobicContact CD1-CG2 3.7Å; L52-V56 HydrophobicContact CG-CG2 4.21Å; L52-V56 WeakPolarHBondContact O-CB 3.36Å; L52-V56 WeakPolarHBondContact O-CG2 3.27Å; L52-V56 PolarHBondContact O-N 3.28Å; L52-L160 HydrophobicContact CB-CB 4.49Å; L52-L160 HydrophobicContact CB-CD2 4.13Å; L52-L160 HydrophobicContact CD1-CB 4Å; L52-K162 HydrophobicContact CD2-CD 4.45Å; L52-K162 HydrophobicContact CD2-CG 4.21Å; L52-F190 HydrophobicContact CD2-CE2 4.5Å; L52-Y214 HydrophobicContact CD1-CD2 3.92Å; L52-Y214 HydrophobicContact CD1-CE2 4.37Å
53D98.7Very high97.3Very high107 Ų10752.5 Ų52.557%0.57229%0.292SS*.Hα-helixtrans-59.6-42.4179.4-69.4-20.1000111.6S49 V51 V56 E57S49-D53 VanDerWaalsContact O-CG 3.29Å; S49-D53 PolarHBondContact O-N 2.9Å; V51-D53 PolarHBondContact O-N 3.28Å; D53-V56 PolarHBondContact O-N 3.26Å; D53-E57 WeakPolarHBondContact O-CB 3.19Å; D53-E57 PolarHBondContact O-N 2.76Å
54Q98.5Very high97.2Very high32 Ų3251.8 Ų51.815%0.1529%0.288CS..Hα-helixtrans-63.7-42.2175.4-69.6-172.9-1400112.2A50 V51 L52 E57 M58 G95 C96 E97 A98 I99A50-Q54 WeakPolarHBondContact O-CG 3.32Å; A50-Q54 PolarHBondContact O-N 3.33Å; V51-Q54 PolarHBondContact O-N 2.75Å; L52-Q54 VanDerWaalsContact C-N 3.32Å; L52-Q54 PolarHBondContact O-N 3.25Å; Q54-E57 PolarHBondContact O-N 2.77Å; Q54-M58 WeakPolarHBondContact O-CG 3.47Å; Q54-M58 PolarHBondContact O-N 3.39Å; Q54-G95 VanDerWaalsContact CG-O 3.25Å; Q54-G95 WeakPolarHBondContact CG-O 3.43Å; Q54-G95 PolarHBondContact NE2-O 3.05Å; Q54-G95 PolarHBondContact OE1-O 3.17Å; Q54-C96 VanDerWaalsContact OE1-CA 3.28Å; Q54-E97 VanDerWaalsContact NE2-N 3.13Å; Q54-E97 PolarHBondContact NE2-OE2 2.7Å; Q54-A98 HydrophobicContact CG-CB 4.44Å; Q54-A98 VanDerWaalsContact NE2-N 3.14Å; Q54-I99 HydrophobicContact CB-CD1 4.08Å; Q54-I99 HydrophobicContact CB-CG1 4.39Å
55V98.6Very high97.1Very high0 Ų056.2 Ų56.20%030%0.301CS..Hα-helixtrans-67-41.8177.4168.50000111.9V51 L52 E57 M58 H59 I99 V130 L160 Y214 I216V51-V55 WeakPolarHBondContact O-CG2 3.32Å; V51-V55 PolarHBondContact O-N 3.09Å; V51-V55 VanDerWaalsContact O-N 3.09Å; L52-V55 PolarHBondContact O-N 3.48Å; L52-V55 VanDerWaalsContact O-N 3.15Å; V55-E57 VanDerWaalsContact C-N 3.33Å; V55-E57 PolarHBondContact O-N 3.48Å; V55-M58 PolarHBondContact O-N 3.32Å; V55-H59 PolarHBondContact O-N 3.03Å; V55-I99 HydrophobicContact CG2-CD1 4.14Å; V55-V130 HydrophobicContact CB-CG1 4.29Å; V55-V130 HydrophobicContact CG1-CG1 3.66Å; V55-V130 HydrophobicContact CG2-CG1 3.86Å; V55-V130 HydrophobicContact CG2-CG2 4.49Å; V55-L160 HydrophobicContact CB-CD1 4.08Å; V55-L160 HydrophobicContact CG1-CD1 4.13Å; V55-L160 HydrophobicContact CG2-CD1 3.73Å; V55-Y214 HydrophobicContact CG1-CD1 3.62Å; V55-Y214 HydrophobicContact CG1-CE1 4.16Å; V55-Y214 HydrophobicContact CG1-CG 3.84Å; V55-I216 HydrophobicContact CG2-CD1 3.82Å; V55-I216 HydrophobicContact CG2-CG1 4.15Å
56V98.4Very high96.8Very high53 Ų5356 Ų5632%0.32130%0.299SS..Hα-helixtrans-62.5-42175.9168.60000110.4L52 D53 H59 R60 Y214L52-V56 HydrophobicContact CD1-CG2 3.7Å; L52-V56 HydrophobicContact CG-CG2 4.21Å; L52-V56 WeakPolarHBondContact O-CB 3.36Å; L52-V56 WeakPolarHBondContact O-CG2 3.27Å; L52-V56 PolarHBondContact O-N 3.28Å; D53-V56 PolarHBondContact O-N 3.26Å; V56-H59 PolarHBondContact O-N 2.84Å; V56-R60 WeakPolarHBondContact O-CB 3.43Å; V56-R60 PolarHBondContact O-N 3.17Å; V56-Y214 HydrophobicContact CG2-CD2 4.48Å; V56-Y214 HydrophobicContact CG2-CE2 3.77Å
57E97.9Very high96Very high82 Ų8251 Ų5138%0.38328%0.275SS..Hα-helixtrans-65.6-40.8177.7-178.555.3-158.300112.3D53 Q54 V55 H59 R60 S61D53-E57 WeakPolarHBondContact O-CB 3.19Å; D53-E57 PolarHBondContact O-N 2.76Å; Q54-E57 PolarHBondContact O-N 2.77Å; V55-E57 VanDerWaalsContact C-N 3.33Å; V55-E57 PolarHBondContact O-N 3.48Å; E57-H59 VanDerWaalsContact C-N 3.28Å; E57-H59 PolarHBondContact O-N 2.81Å; E57-R60 PolarHBondContact O-N 3.17Å; E57-R60 IonicContact OE1-CZ 3.23Å; E57-R60 IonicContact OE1-NE 2.67Å; E57-R60 IonicContact OE1-NH2 3.37Å; E57-R60 PolarHBondContact OE1-NH2 3.47Å; E57-R60 IonicContact OE2-CZ 3.74Å; E57-R60 VanDerWaalsContact OE2-CZ 3.24Å; E57-R60 IonicContact OE2-NE 3.95Å; E57-R60 PolarHBondContact OE2-NE 3.31Å; E57-R60 IonicContact OE2-NH2 2.8Å; E57-R60 PolarHBondContact OE2-NH2 2.93Å; E57-S61 VanDerWaalsContact O-CB 3.32Å; E57-S61 WeakPolarHBondContact O-CB 3.49Å; E57-S61 PolarHBondContact O-N 2.89Å; E57-S61 PolarHBondContact O-OG 3.28Å
58M97.1Very high95.1Very high7 Ų759.4 Ų59.43%0.03430%0.304CS..Hα-helixtrans-58.3-42.7172.5-71.1177.5-161.200111.8Q54 V55 S61 G62 Q63 L64 V89 C96 I99 V130Q54-M58 WeakPolarHBondContact O-CG 3.47Å; Q54-M58 PolarHBondContact O-N 3.39Å; V55-M58 PolarHBondContact O-N 3.32Å; M58-S61 PolarHBondContact O-OG 2.87Å; M58-G62 PolarHBondContact O-N 3.49Å; M58-Q63 HydrophobicContact CB-CB 4.44Å; M58-Q63 WeakPolarHBondContact O-CB 3.37Å; M58-Q63 PolarHBondContact O-N 3.25Å; M58-L64 HydrophobicContact CB-CD1 3.72Å; M58-V89 HydrophobicContact CE-CG1 4.14Å; M58-V89 HydrophobicContact SD-CG1 4.06Å; M58-C96 WeakPolarHBondContact CE-SG 3.35Å; M58-I99 HydrophobicContact CE-CD1 3.28Å; M58-I99 HydrophobicContact SD-CD1 4.25Å; M58-V130 HydrophobicContact SD-CG2 4.23Å
59H97.1Very high93.5Very high47 Ų4762.8 Ų62.822%0.21832%0.322CS..Hα-helixtrans-67.7-47.9178.8-176.2-155.9000111.4V55 V56 E57 S61 G62 L64 Q85 C132 Y214V55-H59 PolarHBondContact O-N 3.03Å; V56-H59 PolarHBondContact O-N 2.84Å; E57-H59 VanDerWaalsContact C-N 3.28Å; E57-H59 PolarHBondContact O-N 2.81Å; H59-S61 VanDerWaalsContact C-N 3.28Å; H59-S61 PolarHBondContact O-N 3.15Å; H59-G62 PolarHBondContact O-N 3.23Å; H59-L64 HydrophobicContact CB-CD1 4.26Å; H59-L64 HydrophobicContact CB-CD2 4.29Å; H59-Q85 PolarHBondContact NE2-OE1 3.23Å; H59-C132 PolarHBondContact CE1-SG 3.46Å; H59-Y214 HydrophobicContact CB-CE1 4.09Å; H59-Y214 AromaticContact ND1-CE1 3.53Å; H59-Y214 AromaticContact ND1-CZ 3.58Å; H59-Y214 PolarHBondContact ND1-OH 2.8Å
60R96.9Very high91.6Very high183 Ų18367.1 Ų67.169%0.69136%0.359SS*.Hα-helixtrans-61.9-33.9180-168.4-173.571.283.53.7112.9V56 E57 G62V56-R60 WeakPolarHBondContact O-CB 3.43Å; V56-R60 PolarHBondContact O-N 3.17Å; E57-R60 PolarHBondContact O-N 3.17Å; E57-R60 IonicContact OE1-CZ 3.23Å; E57-R60 IonicContact OE1-NE 2.67Å; E57-R60 IonicContact OE1-NH2 3.37Å; E57-R60 PolarHBondContact OE1-NH2 3.47Å; E57-R60 IonicContact OE2-CZ 3.74Å; E57-R60 VanDerWaalsContact OE2-CZ 3.24Å; E57-R60 IonicContact OE2-NE 3.95Å; E57-R60 PolarHBondContact OE2-NE 3.31Å; E57-R60 IonicContact OE2-NH2 2.8Å; E57-R60 PolarHBondContact OE2-NH2 2.93Å; R60-G62 VanDerWaalsContact C-N 3.27Å; R60-G62 PolarHBondContact O-N 3.03Å
61S96.3Very high89.4Confident56 Ų5668.1 Ų68.139%0.39237%0.373SS..THydrogen-bonded Turntrans-83.34.1177.557.60000114E57 M58 H59 Q63E57-S61 VanDerWaalsContact O-CB 3.32Å; E57-S61 WeakPolarHBondContact O-CB 3.49Å; E57-S61 PolarHBondContact O-N 2.89Å; E57-S61 PolarHBondContact O-OG 3.28Å; M58-S61 PolarHBondContact O-OG 2.87Å; H59-S61 VanDerWaalsContact C-N 3.28Å; H59-S61 PolarHBondContact O-N 3.15Å; S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 PolarHBondContact O-N 2.83Å; S61-Q63 PolarHBondContact OG-NE2 3.14Å
62G95.4Very high86.9Confident51 Ų5172.7 Ų72.753%0.52641%0.405SS..THydrogen-bonded Turntrans74.12017500000114.6M58 H59 R60 L64M58-G62 PolarHBondContact O-N 3.49Å; H59-G62 PolarHBondContact O-N 3.23Å; R60-G62 VanDerWaalsContact C-N 3.27Å; R60-G62 PolarHBondContact O-N 3.03Å; G62-L64 VanDerWaalsContact C-N 3.27Å; G62-L64 PolarHBondContact O-N 3.38Å
63Q95.7Very high84.7Confident109 Ų10977.3 Ų77.351%0.50943%0.428SS..  trans-74.5-20.4179.4-62.5-179.945.400112.7M58 S61M58-Q63 HydrophobicContact CB-CB 4.44Å; M58-Q63 WeakPolarHBondContact O-CB 3.37Å; M58-Q63 PolarHBondContact O-N 3.25Å; S61-Q63 VanDerWaalsContact C-N 3.33Å; S61-Q63 PolarHBondContact O-N 2.83Å; S61-Q63 PolarHBondContact OG-NE2 3.14Å
64L94.9Very high82.3Confident9 Ų978.1 Ų78.15%0.04744%0.44CS..  trans-82.3131.9-179.3-85.672.9000110.5M58 H59 G62 Q85 A87 C132M58-L64 HydrophobicContact CB-CD1 3.72Å; H59-L64 HydrophobicContact CB-CD1 4.26Å; H59-L64 HydrophobicContact CB-CD2 4.29Å; G62-L64 VanDerWaalsContact C-N 3.27Å; G62-L64 PolarHBondContact O-N 3.38Å; L64-Q85 HydrophobicContact CB-CB 3.85Å; L64-Q85 HydrophobicContact CD2-CB 4.37Å; L64-A87 HydrophobicContact CD1-CB 4.05Å; L64-A87 HydrophobicContact CG-CB 4.21Å; L64-C132 HydrophobicContact CD2-CB 3.39Å
65Q92.4Very high80.1Confident124 Ų12480.8 Ų80.858%0.57948%0.476SS*.EExtended strand (participates in β ladder)trans-119.7151-176.6-66.9-82.1-29.600110.2G67 Q85 I86Q65-G67 PolarHBondContact O-N 2.99Å; Q65-Q85 CarbonylContact O-C 3.6Å; Q65-Q85 VanDerWaalsContact O-CA 3.27Å; Q65-Q85 WeakPolarHBondContact O-CA 3.44Å; Q65-I86 PolarHBondContact N-O 3.42Å; Q65-I86 PolarHBondContact O-N 3.06Å
66D89.1Confident78.1Confident99 Ų9984 Ų8453%0.52950%0.495SS..EExtended strand (participates in β ladder)trans-50.3129.2178.8-73.3-2.1000112.5R68D66-R68 PolarHBondContact O-N 3.09Å
67G80.4Confident76.1Confident8 Ų885.1 Ų85.18%0.08251%0.505CS..  trans-57.7132.5-178.300000112.6Q65 D84Q65-G67 PolarHBondContact O-N 2.99Å; G67-D84 PolarHBondContact N-O 3.02Å
68R76.2Confident74.5Confident193 Ų19390.2 Ų90.273%0.72852%0.521SS*.  trans-110.5151.5178.7-58.5-173.4-174-173.92.2111.2D66 R82D66-R68 PolarHBondContact O-N 3.09Å; R68-R82 PolarHBondContact O-NH1 3.4Å
69L65.3Low72.9Confident71 Ų7197.6 Ų97.637%0.37255%0.553SS.*  trans-94.9150.2170.9-64.8165.4000110.1G71 I81 Y140L69-G71 PolarHBondContact O-N 2.88Å; L69-I81 HydrophobicContact CD1-CB 4.07Å; L69-I81 HydrophobicContact CD1-CD1 3.36Å; L69-I81 HydrophobicContact CD1-CG1 4.3Å; L69-I81 HydrophobicContact CD1-CG2 3.69Å; L69-I81 HydrophobicContact CD2-CG2 4.13Å; L69-I81 HydrophobicContact CG-CG2 4.41Å; L69-Y140 HydrophobicContact CD2-CE1 4.48Å; L69-Y140 WeakPolarHBondContact CD2-OH 3.43Å
70A58.2Low71.5Confident113 Ų11398.7 Ų98.793%0.93457%0.566SS**SBendtrans-73.4107.8165.400000108.6
71G52.6Low70.4Confident60 Ų6091.7 Ų91.762%0.61954%0.541SS*.SBendtrans88.7100.9-173.500000111.8L69L69-G71 PolarHBondContact O-N 2.88Å
72S46.2Very low70Confident97 Ų9790 Ų9068%0.67853%0.527SS*.PPolyproline II helixtrans-78124172.248.50000110P74S72-P74 WeakPolarHBondContact O-CD 3.33Å
73I52.2Low69.6Low122 Ų12288.7 Ų88.763%0.62651%0.513SS*.PPolyproline II helixtrans-80.8118.9166.7-55.6175.5000107.3G75 V76I73-G75 PolarHBondContact O-N 2.96Å; I73-V76 HydrophobicContact CB-CG2 4.29Å; I73-V76 HydrophobicContact CG2-CG2 4.07Å
74P48.1Very low69.4Low125 Ų12583.7 Ų83.781%0.81249%0.489SS*.THydrogen-bonded Turntrans-56.9132.5175.7-22.333.2000111S72S72-P74 WeakPolarHBondContact O-CD 3.33Å
75G52.8Low69.5Low88 Ų8885.6 Ų85.691%0.90750%0.498SS*.THydrogen-bonded Turntrans91.8-11.7174.500000116.9I73I73-G75 PolarHBondContact O-N 2.96Å
76V55.9Low69.7Low66 Ų6680.6 Ų80.640%0.448%0.475SS..SBendtrans-89.8124.9173.6-175.30000110.3I73 R78 I81I73-V76 HydrophobicContact CB-CG2 4.29Å; I73-V76 HydrophobicContact CG2-CG2 4.07Å; V76-R78 PolarHBondContact O-N 2.58Å; V76-I81 HydrophobicContact CG1-CD1 3.76Å; V76-I81 HydrophobicContact CG1-CG1 4.05Å
77S58.4Low70.1Confident77 Ų7776.4 Ų76.454%0.53846%0.455SS..  trans-60.8123.4176.2179.30000110.4K79 S80S77-K79 PolarHBondContact O-N 2.77Å; S77-S80 WeakPolarHBondContact O-CB 3.34Å; S77-S80 PolarHBondContact O-N 2.94Å; S77-S80 PolarHBondContact O-OG 3.02Å
78R64.3Low70.9Confident189 Ų18982.2 Ų82.271%0.71347%0.474SS*.G310 helixtrans-58.2-37.5-177.2-60.7-178.3-171.497.12.7112.4V76 S80 I81 R82V76-R78 PolarHBondContact O-N 2.58Å; R78-S80 PolarHBondContact O-N 2.67Å; R78-I81 PolarHBondContact O-N 2.93Å; R78-I81 VanDerWaalsContact O-N 3.17Å; R78-R82 PolarHBondContact O-N 2.62Å
79K62.1Low71.8Confident163 Ų16373.5 Ų73.571%0.70944%0.442SS*.G310 helixtrans-66.8-18.4177.4-68.5-171.5177.4-174.80113.6S77 I81S77-K79 PolarHBondContact O-N 2.77Å; K79-I81 VanDerWaalsContact C-N 3.32Å
80S67.4Low73.2Confident70 Ų7072.1 Ų72.149%0.4944%0.439SS..G310 helixtrans-81.7-12.7176.174.20000113S77 R78 V141S77-S80 WeakPolarHBondContact O-CB 3.34Å; S77-S80 PolarHBondContact O-N 2.94Å; S77-S80 PolarHBondContact O-OG 3.02Å; R78-S80 PolarHBondContact O-N 2.67Å; S80-V141 WeakPolarHBondContact O-CG1 3.39Å
81I75.5Confident74.8Confident35 Ų3567.1 Ų67.118%0.17940%0.398CS..THydrogen-bonded Turntrans-100.5-50.7178.5-57.5174000110.4L69 V76 R78 K79 Y140 V141L69-I81 HydrophobicContact CD1-CB 4.07Å; L69-I81 HydrophobicContact CD1-CD1 3.36Å; L69-I81 HydrophobicContact CD1-CG1 4.3Å; L69-I81 HydrophobicContact CD1-CG2 3.69Å; L69-I81 HydrophobicContact CD2-CG2 4.13Å; L69-I81 HydrophobicContact CG-CG2 4.41Å; V76-I81 HydrophobicContact CG1-CD1 3.76Å; V76-I81 HydrophobicContact CG1-CG1 4.05Å; R78-I81 PolarHBondContact O-N 2.93Å; R78-I81 VanDerWaalsContact O-N 3.17Å; K79-I81 VanDerWaalsContact C-N 3.32Å; I81-Y140 HydrophobicContact CG2-CD1 4.45Å; I81-Y140 HydrophobicContact CG2-CE1 3.96Å; I81-Y140 WeakPolarHBondContact O-CA 3.33Å; I81-Y140 VanDerWaalsContact O-CD1 3.22Å; I81-Y140 WeakPolarHBondContact O-CD1 3.43Å; I81-V141 HydrophobicContact CB-CG2 4.45Å; I81-V141 HydrophobicContact CG2-CG2 3.71Å; I81-V141 PolarHBondContact O-N 2.8Å
82R86Confident76.8Confident22 Ų2268.5 Ų68.58%0.08340%0.404CS..BIsolated β-bridgetrans-142.9138176.264.9-172.8-66.8179.84.1110.9R68 R78 D84 G139 Y140R68-R82 PolarHBondContact O-NH1 3.4Å; R78-R82 PolarHBondContact O-N 2.62Å; R82-D84 WeakPolarHBondContact CB-OD1 3.43Å; R82-D84 IonicContact CZ-OD1 2.83Å; R82-D84 IonicContact CZ-OD2 2.67Å; R82-D84 IonicContact NE-OD1 3.83Å; R82-D84 PolarHBondContact NE-OD1 3.09Å; R82-D84 IonicContact NE-OD2 3.23Å; R82-D84 VanDerWaalsContact NH2-CG 3.34Å; R82-D84 IonicContact NH2-OD1 3.24Å; R82-D84 PolarHBondContact NH2-OD1 3.07Å; R82-D84 IonicContact NH2-OD2 2.81Å; R82-D84 PolarHBondContact NH2-OD2 3.25Å; R82-G139 WeakPolarHBondContact CA-O 3.32Å; R82-Y140 HydrophobicContact CB-CD1 3.89Å; R82-Y140 HydrophobicContact CB-CD2 4.08Å; R82-Y140 HydrophobicContact CB-CE1 4.12Å; R82-Y140 HydrophobicContact CB-CE2 4.31Å; R82-Y140 HydrophobicContact CB-CG 3.87Å
83G87.8Confident79Confident23 Ų2367 Ų6724%0.23739%0.386CS..  trans-108.714.7-176.700000114.7P134 G139G83-P134 WeakPolarHBondContact O-CD 3.48Å; G83-G139 PolarHBondContact N-O 2.91Å
84D92.4Very high80.9Confident3 Ų372.8 Ų72.82%0.01640%0.4CS..  trans-96.1158.7-176.365.6-41.3000113.6G67 R82 I86 C132 Y133G67-D84 PolarHBondContact N-O 3.02Å; R82-D84 WeakPolarHBondContact CB-OD1 3.43Å; R82-D84 IonicContact CZ-OD1 2.83Å; R82-D84 IonicContact CZ-OD2 2.67Å; R82-D84 IonicContact NE-OD1 3.83Å; R82-D84 PolarHBondContact NE-OD1 3.09Å; R82-D84 IonicContact NE-OD2 3.23Å; R82-D84 VanDerWaalsContact NH2-CG 3.34Å; R82-D84 IonicContact NH2-OD1 3.24Å; R82-D84 PolarHBondContact NH2-OD1 3.07Å; R82-D84 IonicContact NH2-OD2 2.81Å; R82-D84 PolarHBondContact NH2-OD2 3.25Å; D84-I86 WeakPolarHBondContact OD2-CG2 3.22Å; D84-C132 CarbonylContact C-O 3.51Å; D84-C132 VanDerWaalsContact CA-O 3.22Å; D84-C132 WeakPolarHBondContact CA-O 3.4Å; D84-C132 WeakPolarHBondContact CB-O 3.44Å; D84-Y133 HydrophobicContact CB-CD1 3.9Å; D84-Y133 HydrophobicContact CB-CD2 3.77Å; D84-Y133 HydrophobicContact CB-CE1 3.78Å; D84-Y133 HydrophobicContact CB-CE2 3.62Å; D84-Y133 HydrophobicContact CB-CG 3.88Å
85Q96.1Very high82.9Confident50 Ų5068.5 Ų68.523%0.23438%0.378CS..EExtended strand (participates in β ladder)trans-106.3140.5168.4-53.3173.7-62.100108.5H59 L64 Q65 A131 C132H59-Q85 PolarHBondContact NE2-OE1 3.23Å; L64-Q85 HydrophobicContact CB-CB 3.85Å; L64-Q85 HydrophobicContact CD2-CB 4.37Å; Q65-Q85 CarbonylContact O-C 3.6Å; Q65-Q85 VanDerWaalsContact O-CA 3.27Å; Q65-Q85 WeakPolarHBondContact O-CA 3.44Å; Q85-A131 CarbonylContact O-C 3.59Å; Q85-A131 WeakPolarHBondContact O-CA 3.36Å; Q85-C132 PolarHBondContact N-O 2.8Å; Q85-C132 PolarHBondContact O-N 3.11Å
86I96.9Very high85Confident18 Ų1864.6 Ų64.69%0.09234%0.337CS..EExtended strand (participates in β ladder)trans-132.4153.7-174.669.1175.8000113.2Q65 D84 M129 V130 A131Q65-I86 PolarHBondContact N-O 3.42Å; Q65-I86 PolarHBondContact O-N 3.06Å; D84-I86 WeakPolarHBondContact OD2-CG2 3.22Å; I86-M129 HydrophobicContact CB-CG 4.01Å; I86-M129 HydrophobicContact CB-SD 4.44Å; I86-M129 HydrophobicContact CD1-CG 4.24Å; I86-M129 HydrophobicContact CD1-SD 3.96Å; I86-M129 HydrophobicContact CG2-CG 4.07Å; I86-M129 HydrophobicContact CG2-SD 4.03Å; I86-V130 CarbonylContact C-O 3.49Å; I86-V130 WeakPolarHBondContact CA-O 3.3Å; I86-A131 HydrophobicContact CG2-CB 3.98Å
87A97Very high86.9Confident12 Ų1266.9 Ų66.910%0.09934%0.343CS..EExtended strand (participates in β ladder)trans-133.3146.2164.900000109.6L64 M129 V130L64-A87 HydrophobicContact CD1-CB 4.05Å; L64-A87 HydrophobicContact CG-CB 4.21Å; A87-M129 WeakPolarHBondContact O-CA 3.36Å; A87-V130 PolarHBondContact N-O 3.02Å; A87-V130 PolarHBondContact O-N 3.2Å
88W97.1Very high88.8Confident130 Ų13064 Ų6449%0.49232%0.324SS..EExtended strand (participates in β ladder)trans-105.8115.1176.4-69.593.8000110.1K127 A128 M129 W219W88-K127 HydrophobicContact CE3-CB 4.01Å; W88-K127 WeakPolarHBondContact CZ3-O 3.49Å; W88-A128 CarbonylContact C-O 3.55Å; W88-A128 WeakPolarHBondContact CA-O 3.2Å; W88-M129 HydrophobicContact CD2-CB 4.3Å; W88-M129 HydrophobicContact CD2-CG 4.48Å; W88-M129 HydrophobicContact CE3-CB 3.96Å; W88-M129 HydrophobicContact CH2-CB 3.99Å; W88-M129 HydrophobicContact CH2-CG 4.37Å; W88-M129 HydrophobicContact CH2-SD 4.35Å; W88-M129 HydrophobicContact CZ2-CB 4.26Å; W88-M129 HydrophobicContact CZ2-CG 4.16Å; W88-M129 HydrophobicContact CZ2-SD 4.05Å; W88-M129 HydrophobicContact CZ3-CB 3.81Å; W88-W219 HydrophobicContact CH2-CE3 4.21Å; W88-W219 HydrophobicContact CH2-CH2 4.13Å; W88-W219 AromaticContact CH2-CZ3 3.41Å; W88-W219 HydrophobicContact CH2-CZ3 3.41Å; W88-W219 VanDerWaalsContact CH2-CZ3 3.41Å; W88-W219 HydrophobicContact CZ2-CZ3 4.49Å; W88-W219 HydrophobicContact CZ3-CE3 4.33Å; W88-W219 AromaticContact CZ3-CZ3 3.72Å; W88-W219 HydrophobicContact CZ3-CZ3 3.72Å
89V96.7Very high90.4Very high9 Ų955 Ų556%0.05529%0.29CS..EExtended strand (participates in β ladder)trans-120140.3-178.3-590000110.9M58 I99 K127 A128 V130M58-V89 HydrophobicContact CE-CG1 4.14Å; M58-V89 HydrophobicContact SD-CG1 4.06Å; V89-I99 HydrophobicContact CG2-CG2 4.05Å; V89-K127 WeakPolarHBondContact O-CB 3.25Å; V89-A128 HydrophobicContact CG2-CB 3.87Å; V89-A128 PolarHBondContact N-O 3.26Å; V89-A128 PolarHBondContact O-N 3.24Å; V89-V130 HydrophobicContact CG2-CG2 3.87Å
90S94.7Very high92.1Very high43 Ų4348.9 Ų48.930%0.30127%0.268SS..  trans-82.6-24.1174.960.90000112.6A92 E93S90-A92 PolarHBondContact OG-N 2.98Å; S90-E93 WeakPolarHBondContact CB-OE1 3.44Å; S90-E93 VanDerWaalsContact N-CD 3.34Å; S90-E93 PolarHBondContact N-OE1 3.34Å; S90-E93 PolarHBondContact N-OE2 3.02Å; S90-E93 PolarHBondContact OG-OE1 2.9Å; S90-E93 PolarHBondContact OG-OE2 3.4Å
91G91.8Very high93.6Very high7 Ų749 Ų497%0.07226%0.26CS..SBendtrans89.31.6-169.700000113E93 S100G91-E93 PolarHBondContact N-OE2 3.29Å; G91-S100 WeakPolarHBondContact O-CB 3.48Å; G91-S100 PolarHBondContact O-OG 2.87Å
92A93.3Very high94.6Very high90 Ų9047.3 Ų47.374%0.74425%0.251SS*.  trans-99.2-9.1174.500000112.5S90S90-A92 PolarHBondContact OG-N 2.98Å
93E93.3Very high95.2Very high65 Ų6546.3 Ų46.330%0.30425%0.248SC..SBendtrans-68146.7177.4-56.882.2-179.600110.9S90 G91 G95 C96S90-E93 WeakPolarHBondContact CB-OE1 3.44Å; S90-E93 VanDerWaalsContact N-CD 3.34Å; S90-E93 PolarHBondContact N-OE1 3.34Å; S90-E93 PolarHBondContact N-OE2 3.02Å; S90-E93 PolarHBondContact OG-OE1 2.9Å; S90-E93 PolarHBondContact OG-OE2 3.4Å; G91-E93 PolarHBondContact N-OE2 3.29Å; E93-G95 PolarHBondContact O-N 2.89Å; E93-C96 HydrophobicContact CB-CB 4.41Å; E93-C96 VanDerWaalsContact O-CB 3.31Å; E93-C96 WeakPolarHBondContact O-CB 3.43Å; E93-C96 PolarHBondContact O-N 3.38Å; E93-C96 VanDerWaalsContact O-N 3.11Å
94R91Very high95.6Very high243 Ų24349.1 Ų49.192%0.91726%0.257SS*.THydrogen-bonded Turntrans-58.2133.8173.8-176.1-172.8-66.4-173-0.5109.6C96R94-C96 VanDerWaalsContact C-N 3.32Å
95G90.9Very high95.7Very high35 Ų3549.6 Ų49.636%0.36126%0.259SS..THydrogen-bonded Turntrans82.19.1-178.400000114Q54 E93 E97Q54-G95 VanDerWaalsContact CG-O 3.25Å; Q54-G95 WeakPolarHBondContact CG-O 3.43Å; Q54-G95 PolarHBondContact NE2-O 3.05Å; Q54-G95 PolarHBondContact OE1-O 3.17Å; E93-G95 PolarHBondContact O-N 2.89Å; G95-E97 WeakPolarHBondContact CA-OE2 3.45Å; G95-E97 PolarHBondContact N-OE1 2.74Å; G95-E97 PolarHBondContact N-OE2 3.01Å
96C95.7Very high95.7Very high6 Ų647.4 Ų47.44%0.04125%0.249CC..  trans-109.617.7174.3-63.90000113Q54 M58 E93 R94 A98 I99 S100Q54-C96 VanDerWaalsContact OE1-CA 3.28Å; M58-C96 WeakPolarHBondContact CE-SG 3.35Å; E93-C96 HydrophobicContact CB-CB 4.41Å; E93-C96 VanDerWaalsContact O-CB 3.31Å; E93-C96 WeakPolarHBondContact O-CB 3.43Å; E93-C96 PolarHBondContact O-N 3.38Å; E93-C96 VanDerWaalsContact O-N 3.11Å; R94-C96 VanDerWaalsContact C-N 3.32Å; C96-A98 PolarHBondContact O-N 3.21Å; C96-I99 HydrophobicContact CB-CB 4.45Å; C96-I99 CarbonylContact O-C 3.6Å; C96-I99 PolarHBondContact O-N 2.84Å; C96-S100 WeakPolarHBondContact O-CB 3.39Å; C96-S100 PolarHBondContact O-N 3Å
97E97.4Very high95.7Very high114 Ų11448.6 Ų48.653%0.53326%0.256SS..Hα-helixtrans-60.5-42.1-173.2-60.376.4-168.300112.9Q54 G95 S100 F101Q54-E97 VanDerWaalsContact NE2-N 3.13Å; Q54-E97 PolarHBondContact NE2-OE2 2.7Å; G95-E97 WeakPolarHBondContact CA-OE2 3.45Å; G95-E97 PolarHBondContact N-OE1 2.74Å; G95-E97 PolarHBondContact N-OE2 3.01Å; E97-S100 VanDerWaalsContact O-CB 3.32Å; E97-S100 WeakPolarHBondContact O-CB 3.38Å; E97-S100 PolarHBondContact O-N 3.48Å; E97-F101 PolarHBondContact O-N 2.84Å
98A97.9Very high95.5Very high16 Ų1655.3 Ų55.313%0.13228%0.279CS..Hα-helixtrans-70.7-38.8176.500000111.6A50 V51 Q54 C96 S100 F101 L102A50-A98 HydrophobicContact CB-CB 3.85Å; V51-A98 HydrophobicContact CG2-CB 3.91Å; Q54-A98 HydrophobicContact CG-CB 4.44Å; Q54-A98 VanDerWaalsContact NE2-N 3.14Å; C96-A98 PolarHBondContact O-N 3.21Å; A98-S100 VanDerWaalsContact C-N 3.3Å; A98-S100 PolarHBondContact O-N 2.84Å; A98-F101 WeakPolarHBondContact O-CB 3.45Å; A98-F101 PolarHBondContact O-N 3.33Å; A98-L102 PolarHBondContact O-N 3.01Å
99I98.1Very high95.3Very high0 Ų049.1 Ų49.10%026%0.255CS..Hα-helixtrans-60.8-43.1171.8-66.2166.4000110V51 Q54 V55 M58 V89 C96 F101 L102 L103 I216V51-I99 HydrophobicContact CG1-CG1 4.04Å; Q54-I99 HydrophobicContact CB-CD1 4.08Å; Q54-I99 HydrophobicContact CB-CG1 4.39Å; V55-I99 HydrophobicContact CG2-CD1 4.14Å; M58-I99 HydrophobicContact CE-CD1 3.28Å; M58-I99 HydrophobicContact SD-CD1 4.25Å; V89-I99 HydrophobicContact CG2-CG2 4.05Å; C96-I99 HydrophobicContact CB-CB 4.45Å; C96-I99 CarbonylContact O-C 3.6Å; C96-I99 PolarHBondContact O-N 2.84Å; I99-F101 VanDerWaalsContact C-N 3.33Å; I99-F101 PolarHBondContact O-N 3.21Å; I99-L102 WeakPolarHBondContact O-CB 3.24Å; I99-L102 PolarHBondContact O-N 3.41Å; I99-L103 HydrophobicContact CG2-CD1 4.05Å; I99-L103 HydrophobicContact CG2-CG 4.24Å; I99-L103 WeakPolarHBondContact O-CB 3.42Å; I99-L103 VanDerWaalsContact O-CG 3.23Å; I99-L103 WeakPolarHBondContact O-CG 3.3Å; I99-L103 PolarHBondContact O-N 3.33Å; I99-I216 HydrophobicContact CG1-CD1 4.06Å
100S97.9Very high95.2Very high35 Ų3548.8 Ų48.825%0.24525%0.253CS..Hα-helixtrans-58.3-45.2175.7-157.20000111.6G91 C96 E97 A98 L103 N104G91-S100 WeakPolarHBondContact O-CB 3.48Å; G91-S100 PolarHBondContact O-OG 2.87Å; C96-S100 WeakPolarHBondContact O-CB 3.39Å; C96-S100 PolarHBondContact O-N 3Å; E97-S100 VanDerWaalsContact O-CB 3.32Å; E97-S100 WeakPolarHBondContact O-CB 3.38Å; E97-S100 PolarHBondContact O-N 3.48Å; A98-S100 VanDerWaalsContact C-N 3.3Å; A98-S100 PolarHBondContact O-N 2.84Å; S100-L103 PolarHBondContact O-N 3.5Å; S100-N104 WeakPolarHBondContact O-CB 3.44Å; S100-N104 VanDerWaalsContact O-CG 3.29Å; S100-N104 PolarHBondContact O-N 2.97Å; S100-N104 PolarHBondContact O-ND2 3.33Å
101F97.2Very high95.1Very high73 Ų7350.1 Ų50.132%0.3226%0.263SS..Hα-helixtrans-58.8-49.3175.1179.5-96.4000112.1I11 L43 E97 A98 I99 L103 N104 L105I11-F101 HydrophobicContact CD1-CD2 4.42Å; I11-F101 HydrophobicContact CD1-CE2 4.13Å; I11-F101 HydrophobicContact CD1-CZ 4.21Å; I11-F101 HydrophobicContact CG2-CE1 4.3Å; I11-F101 HydrophobicContact CG2-CE2 4.47Å; I11-F101 HydrophobicContact CG2-CZ 3.77Å; L43-F101 HydrophobicContact CD2-CD1 4.42Å; L43-F101 HydrophobicContact CD2-CE1 4.07Å; E97-F101 PolarHBondContact O-N 2.84Å; A98-F101 WeakPolarHBondContact O-CB 3.45Å; A98-F101 PolarHBondContact O-N 3.33Å; I99-F101 VanDerWaalsContact C-N 3.33Å; I99-F101 PolarHBondContact O-N 3.21Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-L103 PolarHBondContact O-N 2.8Å; F101-N104 PolarHBondContact O-N 3.33Å; F101-L105 PolarHBondContact O-N 3.2Å; F101-L105 VanDerWaalsContact O-N 3.07Å
102L97.8Very high95Very high0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-55.2-49.1174.5169.368.7000111.4L42 L43 V51 A98 I99 N104 L105 I106 Y158 I216L42-L102 HydrophobicContact CD2-CD1 4.15Å; L43-L102 HydrophobicContact CD1-CB 4.21Å; L43-L102 HydrophobicContact CD1-CD1 3.92Å; L43-L102 HydrophobicContact CD2-CD1 4.28Å; L43-L102 HydrophobicContact CG-CD1 4.26Å; V51-L102 HydrophobicContact CG1-CD2 4.12Å; V51-L102 HydrophobicContact CG2-CB 4.25Å; A98-L102 PolarHBondContact O-N 3.01Å; I99-L102 WeakPolarHBondContact O-CB 3.24Å; I99-L102 PolarHBondContact O-N 3.41Å; L102-N104 VanDerWaalsContact C-N 3.34Å; L102-N104 PolarHBondContact O-N 2.97Å; L102-L105 WeakPolarHBondContact O-CB 3.42Å; L102-L105 PolarHBondContact O-N 2.8Å; L102-L105 VanDerWaalsContact O-N 3.13Å; L102-I106 HydrophobicContact CD1-CD1 3.87Å; L102-I106 HydrophobicContact CD1-CG1 4.14Å; L102-I106 HydrophobicContact CG-CD1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.48Å; L102-I106 PolarHBondContact O-N 2.8Å; L102-Y158 HydrophobicContact CD1-CD1 4.07Å; L102-Y158 HydrophobicContact CD1-CD2 3.78Å; L102-Y158 HydrophobicContact CD1-CE1 4.29Å; L102-Y158 HydrophobicContact CD1-CE2 4.05Å; L102-Y158 HydrophobicContact CD1-CG 3.79Å; L102-Y158 HydrophobicContact CD2-CD1 3.43Å; L102-Y158 VanDerWaalsContact CD2-CD1 3.43Å; L102-Y158 HydrophobicContact CD2-CE1 4.04Å; L102-Y158 HydrophobicContact CD2-CG 3.71Å; L102-Y158 HydrophobicContact CG-CD1 4.41Å; L102-Y158 HydrophobicContact CG-CG 4.41Å; L102-I216 HydrophobicContact CD2-CD1 3.95Å
103L97.8Very high94.9Very high1 Ų146 Ų461%0.00523%0.227CC..Hα-helixtrans-60.9-43.4-178.3-70.1179.2000112I99 S100 F101 L105 I106 D107 A128 V218I99-L103 HydrophobicContact CG2-CD1 4.05Å; I99-L103 HydrophobicContact CG2-CG 4.24Å; I99-L103 WeakPolarHBondContact O-CB 3.42Å; I99-L103 VanDerWaalsContact O-CG 3.23Å; I99-L103 WeakPolarHBondContact O-CG 3.3Å; I99-L103 PolarHBondContact O-N 3.33Å; S100-L103 PolarHBondContact O-N 3.5Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-L103 PolarHBondContact O-N 2.8Å; L103-L105 VanDerWaalsContact C-N 3.28Å; L103-L105 PolarHBondContact O-N 2.91Å; L103-I106 PolarHBondContact O-N 3.16Å; L103-D107 WeakPolarHBondContact O-CB 3.31Å; L103-D107 PolarHBondContact O-N 2.98Å; L103-A128 HydrophobicContact CD1-CB 3.97Å; L103-A128 HydrophobicContact CD2-CB 3.92Å; L103-A128 HydrophobicContact CG-CB 4.47Å; L103-V218 HydrophobicContact CD2-CG1 3.55Å
104N95.9Very high94.6Very high81 Ų8143.3 Ų43.343%0.43322%0.215SC..Hα-helixtrans-63-34.6176.2-72.8-42.3000112.4S100 F101 L102 R108S100-N104 WeakPolarHBondContact O-CB 3.44Å; S100-N104 VanDerWaalsContact O-CG 3.29Å; S100-N104 PolarHBondContact O-N 2.97Å; S100-N104 PolarHBondContact O-ND2 3.33Å; F101-N104 PolarHBondContact O-N 3.33Å; L102-N104 VanDerWaalsContact C-N 3.34Å; L102-N104 PolarHBondContact O-N 2.97Å; N104-R108 WeakPolarHBondContact O-CG 3.38Å; N104-R108 PolarHBondContact O-N 3.39Å; N104-R108 VanDerWaalsContact O-N 3.1Å
105L95.6Very high94.2Very high13 Ų1335.9 Ų35.97%0.06820%0.201CC..Hα-helixtrans-68.4-46.6176.2-169.970.8000111.4V14 L19 L42 L43 F101 L102 L103 D107 R108 L109V14-L105 HydrophobicContact CB-CD1 4.28Å; L19-L105 HydrophobicContact CD1-CD1 3.82Å; L19-L105 HydrophobicContact CD2-CD1 3.93Å; L19-L105 HydrophobicContact CD2-CG 4.37Å; L19-L105 HydrophobicContact CG-CD1 4.38Å; L42-L105 HydrophobicContact CD1-CD2 4.06Å; L42-L105 HydrophobicContact CD2-CD2 4.12Å; L42-L105 HydrophobicContact CG-CD2 3.85Å; L43-L105 HydrophobicContact CD2-CD2 3.36Å; F101-L105 PolarHBondContact O-N 3.2Å; F101-L105 VanDerWaalsContact O-N 3.07Å; L102-L105 WeakPolarHBondContact O-CB 3.42Å; L102-L105 PolarHBondContact O-N 2.8Å; L102-L105 VanDerWaalsContact O-N 3.13Å; L103-L105 VanDerWaalsContact C-N 3.28Å; L103-L105 PolarHBondContact O-N 2.91Å; L105-D107 VanDerWaalsContact C-N 3.3Å; L105-D107 PolarHBondContact O-N 3.06Å; L105-R108 PolarHBondContact O-N 3.3Å; L105-L109 WeakPolarHBondContact O-CB 3.21Å; L105-L109 PolarHBondContact O-N 3.42Å
106I96.4Very high93.8Very high4 Ų441 Ų412%0.02121%0.209CC..Hα-helixtrans-61.8-41.5175.7-58171.8000109.9L102 L103 R108 L109 I110 C156 L193 V218 Y220L102-I106 HydrophobicContact CD1-CD1 3.87Å; L102-I106 HydrophobicContact CD1-CG1 4.14Å; L102-I106 HydrophobicContact CG-CD1 3.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.48Å; L102-I106 PolarHBondContact O-N 2.8Å; L103-I106 PolarHBondContact O-N 3.16Å; I106-R108 VanDerWaalsContact C-N 3.34Å; I106-R108 PolarHBondContact O-N 3.24Å; I106-L109 WeakPolarHBondContact O-CB 3.2Å; I106-L109 PolarHBondContact O-N 2.61Å; I106-I110 HydrophobicContact CG2-CG1 4.1Å; I106-I110 WeakPolarHBondContact O-CG1 3.02Å; I106-I110 PolarHBondContact O-N 2.92Å; I106-C156 HydrophobicContact CG2-CB 4.12Å; I106-L193 HydrophobicContact CD1-CD1 3.91Å; I106-L193 HydrophobicContact CG1-CD1 4.24Å; I106-L193 HydrophobicContact CG1-CD2 4.31Å; I106-V218 HydrophobicContact CG2-CG2 4.47Å; I106-Y220 HydrophobicContact CG2-CE2 3.83Å; I106-Y220 VanDerWaalsContact CG2-OH 3.25Å; I106-Y220 WeakPolarHBondContact CG2-OH 3.4Å
107D95.4Very high92.8Very high43 Ų4342.9 Ų42.923%0.2322%0.219CC..Hα-helixtrans-58.8-43.6177.6-73.6-26.6000112.1L103 L105 S111 R125 Y220L103-D107 WeakPolarHBondContact O-CB 3.31Å; L103-D107 PolarHBondContact O-N 2.98Å; L105-D107 VanDerWaalsContact C-N 3.3Å; L105-D107 PolarHBondContact O-N 3.06Å; D107-S111 VanDerWaalsContact O-CB 3.29Å; D107-S111 WeakPolarHBondContact O-CB 3.5Å; D107-S111 PolarHBondContact O-N 3.04Å; D107-R125 VanDerWaalsContact CG-NE 3.3Å; D107-R125 WeakPolarHBondContact OD1-CD 3.38Å; D107-R125 IonicContact OD1-CZ 3.27Å; D107-R125 IonicContact OD1-NE 2.65Å; D107-R125 PolarHBondContact OD1-NE 2.9Å; D107-R125 IonicContact OD1-NH2 2.8Å; D107-R125 IonicContact OD2-CZ 4Å; D107-R125 IonicContact OD2-NE 3.95Å; D107-R125 PolarHBondContact OD2-NE 2.94Å; D107-R125 IonicContact OD2-NH2 3.91Å; D107-R125 PolarHBondContact OD2-NH2 2.7Å; D107-Y220 WeakPolarHBondContact CA-OH 3.34Å; D107-Y220 PolarHBondContact N-OH 3.15Å; D107-Y220 VanDerWaalsContact OD1-CE1 3.28Å; D107-Y220 WeakPolarHBondContact OD1-CE1 3.34Å; D107-Y220 VanDerWaalsContact OD1-CZ 3.29Å; D107-Y220 PolarHBondContact OD1-OH 3.37Å
108R93.6Very high91.5Very high153 Ų15340.4 Ų40.458%0.57722%0.224SC*.Hα-helixtrans-63.6-46.3175-72.4173.5-171.2-92.71.1111.6L19 N104 L105 I106 I110 S111 V112L19-R108 HydrophobicContact CD1-CB 3.93Å; N104-R108 WeakPolarHBondContact O-CG 3.38Å; N104-R108 PolarHBondContact O-N 3.39Å; N104-R108 VanDerWaalsContact O-N 3.1Å; L105-R108 PolarHBondContact O-N 3.3Å; I106-R108 VanDerWaalsContact C-N 3.34Å; I106-R108 PolarHBondContact O-N 3.24Å; R108-I110 PolarHBondContact O-N 2.93Å; R108-S111 WeakPolarHBondContact O-CB 3.46Å; R108-S111 PolarHBondContact O-N 3.43Å; R108-V112 WeakPolarHBondContact O-CG2 3.38Å; R108-V112 PolarHBondContact O-N 3.45Å; R108-V112 VanDerWaalsContact O-N 3.12Å
109L93.8Very high90.1Very high0 Ų040.3 Ų40.30%022%0.221CC..Hα-helixtrans-60.2-45.6180-175.960.5000112L19 L22 A23 L27 L105 I106 V112 C113 L193 I195L19-L109 HydrophobicContact CB-CD1 4.49Å; L19-L109 HydrophobicContact CD2-CD1 4.21Å; L22-L109 HydrophobicContact CB-CD1 4.47Å; L22-L109 HydrophobicContact CD2-CD1 4.07Å; L22-L109 HydrophobicContact CD2-CD2 4.35Å; L22-L109 HydrophobicContact CG-CD1 4.28Å; A23-L109 HydrophobicContact CB-CD1 4.19Å; L27-L109 HydrophobicContact CD1-CD1 3.52Å; L27-L109 HydrophobicContact CD1-CD2 3.66Å; L27-L109 HydrophobicContact CD1-CG 3.57Å; L105-L109 WeakPolarHBondContact O-CB 3.21Å; L105-L109 PolarHBondContact O-N 3.42Å; I106-L109 WeakPolarHBondContact O-CB 3.2Å; I106-L109 PolarHBondContact O-N 2.61Å; L109-V112 PolarHBondContact O-N 3.28Å; L109-C113 PolarHBondContact O-N 2.87Å; L109-C113 VanDerWaalsContact O-N 3.1Å; L109-C113 PolarHBondContact O-SG 3.21Å; L109-L193 HydrophobicContact CD2-CD2 3.76Å; L109-I195 HydrophobicContact CD2-CD1 4.39Å
110I94.4Very high88.5Confident3 Ų348.6 Ų48.62%0.01526%0.257CS..Hα-helixtrans-69.6-35.5177.9-64.3-56.6000111.7I106 R108 V112 C113 A114 I122 L154 I195 Y220I106-I110 HydrophobicContact CG2-CG1 4.1Å; I106-I110 WeakPolarHBondContact O-CG1 3.02Å; I106-I110 PolarHBondContact O-N 2.92Å; R108-I110 PolarHBondContact O-N 2.93Å; I110-V112 VanDerWaalsContact C-N 3.31Å; I110-V112 PolarHBondContact O-N 3.36Å; I110-C113 WeakPolarHBondContact O-CB 3.39Å; I110-C113 PolarHBondContact O-N 3.23Å; I110-C113 VanDerWaalsContact O-N 3.15Å; I110-A114 WeakPolarHBondContact O-CB 3.4Å; I110-A114 PolarHBondContact O-N 3.16Å; I110-I122 HydrophobicContact CG2-CG2 4Å; I110-L154 HydrophobicContact CD1-CD1 4.04Å; I110-L154 HydrophobicContact CG2-CD1 4.32Å; I110-I195 HydrophobicContact CD1-CD1 4.01Å; I110-I195 HydrophobicContact CD1-CG2 4.44Å; I110-Y220 HydrophobicContact CB-CD1 4.21Å; I110-Y220 HydrophobicContact CB-CE1 3.93Å; I110-Y220 HydrophobicContact CB-CE2 4.3Å; I110-Y220 HydrophobicContact CG1-CD1 4.49Å; I110-Y220 HydrophobicContact CG1-CD2 4Å; I110-Y220 HydrophobicContact CG1-CE1 4.16Å; I110-Y220 HydrophobicContact CG1-CE2 3.61Å; I110-Y220 HydrophobicContact CG1-CG 4.43Å; I110-Y220 HydrophobicContact CG2-CD1 3.62Å; I110-Y220 HydrophobicContact CG2-CD2 4.27Å; I110-Y220 HydrophobicContact CG2-CE1 3.86Å; I110-Y220 HydrophobicContact CG2-CE2 4.46Å; I110-Y220 HydrophobicContact CG2-CG 3.86Å
111S91.9Very high87.4Confident71 Ų7147.6 Ų47.650%0.49725%0.251SS..Hα-helixtrans-59.3-41.8174.3-176.70000112.2D107 R108 S115D107-S111 VanDerWaalsContact O-CB 3.29Å; D107-S111 WeakPolarHBondContact O-CB 3.5Å; D107-S111 PolarHBondContact O-N 3.04Å; R108-S111 WeakPolarHBondContact O-CB 3.46Å; R108-S111 PolarHBondContact O-N 3.43Å; S111-S115 WeakPolarHBondContact O-CB 3.4Å; S111-S115 PolarHBondContact O-N 2.95Å; S111-S115 VanDerWaalsContact O-N 3.09Å; S111-S115 PolarHBondContact O-OG 3.25Å
112V90.2Very high86.9Confident9 Ų945.2 Ų45.26%0.05524%0.241CC..Hα-helixtrans-63.8-45.6173.2179.80000110.8Y16 E20 A23 R108 L109 I110 S115 R116Y16-V112 HydrophobicContact CE2-CG2 4.4Å; E20-V112 HydrophobicContact CB-CG1 4.42Å; E20-V112 HydrophobicContact CG-CG1 4.19Å; A23-V112 HydrophobicContact CB-CB 4.1Å; A23-V112 HydrophobicContact CB-CG1 3.68Å; R108-V112 WeakPolarHBondContact O-CG2 3.38Å; R108-V112 PolarHBondContact O-N 3.45Å; R108-V112 VanDerWaalsContact O-N 3.12Å; L109-V112 PolarHBondContact O-N 3.28Å; I110-V112 VanDerWaalsContact C-N 3.31Å; I110-V112 PolarHBondContact O-N 3.36Å; V112-S115 PolarHBondContact O-N 3.09Å; V112-R116 VanDerWaalsContact O-CG 3.25Å; V112-R116 WeakPolarHBondContact O-CG 3.12Å; V112-R116 PolarHBondContact O-N 3.19Å
113C89.5Confident86.1Confident1 Ų154.7 Ų54.71%0.00728%0.277CS..Hα-helixtrans-59.5-49.9178.6-65.30000112.2I28 L109 I110 S115 R116 L117I28-C113 HydrophobicContact CG1-CB 4.31Å; L109-C113 PolarHBondContact O-N 2.87Å; L109-C113 VanDerWaalsContact O-N 3.1Å; L109-C113 PolarHBondContact O-SG 3.21Å; I110-C113 WeakPolarHBondContact O-CB 3.39Å; I110-C113 PolarHBondContact O-N 3.23Å; I110-C113 VanDerWaalsContact O-N 3.15Å; C113-S115 VanDerWaalsContact C-N 3.35Å; C113-S115 PolarHBondContact O-N 2.76Å; C113-R116 PolarHBondContact O-N 3.27Å; C113-R116 VanDerWaalsContact O-N 3.16Å; C113-L117 WeakPolarHBondContact O-CB 3.3Å; C113-L117 WeakPolarHBondContact O-CG 3.21Å; C113-L117 PolarHBondContact O-N 3.17Å
114A87.3Confident85.7Confident8 Ų858.5 Ų58.57%0.06630%0.295CS..Hα-helixtrans-59.9-44.1-17900000111.8I110 R116 L117 D119 I122I110-A114 WeakPolarHBondContact O-CB 3.4Å; I110-A114 PolarHBondContact O-N 3.16Å; A114-R116 PolarHBondContact O-N 3.39Å; A114-L117 PolarHBondContact O-N 2.97Å; A114-D119 CarbonylContact O-C 3.59Å; A114-D119 PolarHBondContact O-N 3.38Å; A114-I122 HydrophobicContact CB-CB 4.04Å; A114-I122 HydrophobicContact CB-CD1 4.38Å
115S83.9Confident85.7Confident87 Ų8757.6 Ų57.661%0.60829%0.285SS*.Hα-helixtrans-59.4-36.1177.7-60.90000112.5S111 V112 C113S111-S115 WeakPolarHBondContact O-CB 3.4Å; S111-S115 PolarHBondContact O-N 2.95Å; S111-S115 VanDerWaalsContact O-N 3.09Å; S111-S115 PolarHBondContact O-OG 3.25Å; V112-S115 PolarHBondContact O-N 3.09Å; C113-S115 VanDerWaalsContact C-N 3.35Å; C113-S115 PolarHBondContact O-N 2.76Å
116R81.8Confident85.7Confident144 Ų14457.8 Ų57.854%0.54329%0.288SS..Hα-helixtrans-89.4-29.1-174.7-64.8-71.8-169.4175.23.3113.5E20 L24 I28 V112 C113 A114 G118E20-R116 IonicContact OE1-CZ 3.83Å; E20-R116 IonicContact OE1-NE 3.95Å; E20-R116 IonicContact OE1-NH2 3.87Å; E20-R116 PolarHBondContact OE1-NH2 2.86Å; L24-R116 HydrophobicContact CD2-CB 4.03Å; L24-R116 HydrophobicContact CD2-CG 3.55Å; I28-R116 HydrophobicContact CD1-CB 3.57Å; I28-R116 HydrophobicContact CD1-CG 4.36Å; V112-R116 VanDerWaalsContact O-CG 3.25Å; V112-R116 WeakPolarHBondContact O-CG 3.12Å; V112-R116 PolarHBondContact O-N 3.19Å; C113-R116 PolarHBondContact O-N 3.27Å; C113-R116 VanDerWaalsContact O-N 3.16Å; A114-R116 PolarHBondContact O-N 3.39Å; R116-G118 PolarHBondContact O-N 3.47Å
117L75.9Confident85.8Confident45 Ų4563 Ų6324%0.23631%0.31CS..THydrogen-bonded Turntrans-73.3-0171.9-72.5170.1000113.1I28 L32 C113 A114 D119 W197I28-L117 HydrophobicContact CG1-CD2 4.48Å; I28-L117 HydrophobicContact CG1-CG 4.26Å; I28-L117 HydrophobicContact CG2-CD2 3.77Å; I28-L117 HydrophobicContact CG2-CG 4.42Å; L32-L117 HydrophobicContact CD1-CD2 4.15Å; L32-L117 HydrophobicContact CD2-CD2 4.02Å; L32-L117 HydrophobicContact CG-CD2 4.2Å; C113-L117 WeakPolarHBondContact O-CB 3.3Å; C113-L117 WeakPolarHBondContact O-CG 3.21Å; C113-L117 PolarHBondContact O-N 3.17Å; A114-L117 PolarHBondContact O-N 2.97Å; L117-D119 HydrophobicContact CB-CB 3.96Å; L117-D119 PolarHBondContact O-N 3.29Å; L117-W197 HydrophobicContact CD1-CH2 4.21Å
118G69.7Low85.9Confident62 Ų6260.9 Ų60.964%0.63930%0.299SS*.THydrogen-bonded Turntrans69.914.1-172.700000112.8R116 K120R116-G118 PolarHBondContact O-N 3.47Å; G118-K120 PolarHBondContact O-N 3.49Å
119D67.8Low86.2Confident14 Ų1454.3 Ų54.38%0.07528%0.275CS..  trans-100.967.9-164.7-159.1-14.5000110.2A114 L117 A121 I122 R153A114-D119 CarbonylContact O-C 3.59Å; A114-D119 PolarHBondContact O-N 3.38Å; L117-D119 HydrophobicContact CB-CB 3.96Å; L117-D119 PolarHBondContact O-N 3.29Å; D119-A121 PolarHBondContact O-N 3.06Å; D119-I122 PolarHBondContact O-N 2.81Å; D119-R153 IonicContact OD1-CZ 3.23Å; D119-R153 IonicContact OD1-NE 3.64Å; D119-R153 IonicContact OD1-NH2 3.86Å; D119-R153 IonicContact OD2-CZ 2.68Å; D119-R153 IonicContact OD2-NE 3.65Å; D119-R153 PolarHBondContact OD2-NE 3.1Å; D119-R153 IonicContact OD2-NH1 2.79Å; D119-R153 IonicContact OD2-NH2 2.94Å; D119-R153 PolarHBondContact OD2-NH2 3.39Å
120K64.6Low86.4Confident173 Ų17354.3 Ų54.375%0.75228%0.275SS*.THydrogen-bonded Turntrans-66.81.1179.2-63.1-175.8-179.21790113.4G118 R123G118-K120 PolarHBondContact O-N 3.49Å; K120-R123 PolarHBondContact O-NE 3.26Å
121A74.5Confident86.6Confident15 Ų1554.3 Ų54.312%0.12428%0.276CS..THydrogen-bonded Turntrans-84.2-19.6-179.300000112.7D119 R123 S223D119-A121 PolarHBondContact O-N 3.06Å; A121-R123 PolarHBondContact O-N 3.41Å; A121-R123 VanDerWaalsContact O-N 3.16Å; A121-S223 WeakPolarHBondContact O-CB 3.44Å; A121-S223 PolarHBondContact O-N 2.75Å; A121-S223 PolarHBondContact O-OG 3.21Å
122I86.1Confident86.9Confident23 Ų2351 Ų5112%0.11825%0.252CS..EExtended strand (participates in β ladder)trans-79.1103.5177.1-57.4178.5000110.4I110 A114 D119 L154 Y220 F221I110-I122 HydrophobicContact CG2-CG2 4Å; A114-I122 HydrophobicContact CB-CB 4.04Å; A114-I122 HydrophobicContact CB-CD1 4.38Å; D119-I122 PolarHBondContact O-N 2.81Å; I122-L154 HydrophobicContact CD1-CD1 3.85Å; I122-L154 HydrophobicContact CD1-CG 4.38Å; I122-Y220 HydrophobicContact CG2-CD1 3.92Å; I122-Y220 HydrophobicContact CG2-CG 4.27Å; I122-F221 WeakPolarHBondContact CA-O 3.48Å
123R80.9Confident87.2Confident199 Ų19951.1 Ų51.175%0.75125%0.252SS*.EExtended strand (participates in β ladder)trans-130.7-25.1-175-62.1-175.1-179.3-170.2-0.3115K120 A121K120-R123 PolarHBondContact O-NE 3.26Å; A121-R123 PolarHBondContact O-N 3.41Å; A121-R123 VanDerWaalsContact O-N 3.16Å
124E90.4Very high87.5Confident80 Ų8053.5 Ų53.537%0.37427%0.267SS..EExtended strand (participates in β ladder)trans-127.6153.4179.160.3176.4-158.600110.1F221 R226 K230E124-F221 HydrophobicContact CG-CB 3.96Å; E124-F221 HydrophobicContact CG-CD2 3.88Å; E124-F221 HydrophobicContact CG-CG 4.31Å; E124-F221 WeakPolarHBondContact O-CD2 3.35Å; E124-F221 PolarHBondContact O-N 3.5Å; E124-R226 VanDerWaalsContact OE1-CG 3.3Å; E124-R226 WeakPolarHBondContact OE1-CG 3.31Å; E124-R226 IonicContact OE1-NE 3.73Å; E124-K230 IonicContact OE1-NZ 2.7Å; E124-K230 PolarHBondContact OE1-NZ 2.59Å; E124-K230 IonicContact OE2-NZ 2.76Å
125R95.4Very high87.8Confident63 Ų6353.2 Ų53.224%0.23827%0.265CS..EExtended strand (participates in β ladder)trans-129.9165.1168.362.2154.1172.482.66.3110.9D107 W219 Y220D107-R125 VanDerWaalsContact CG-NE 3.3Å; D107-R125 WeakPolarHBondContact OD1-CD 3.38Å; D107-R125 IonicContact OD1-CZ 3.27Å; D107-R125 IonicContact OD1-NE 2.65Å; D107-R125 PolarHBondContact OD1-NE 2.9Å; D107-R125 IonicContact OD1-NH2 2.8Å; D107-R125 IonicContact OD2-CZ 4Å; D107-R125 IonicContact OD2-NE 3.95Å; D107-R125 PolarHBondContact OD2-NE 2.94Å; D107-R125 IonicContact OD2-NH2 3.91Å; D107-R125 PolarHBondContact OD2-NH2 2.7Å; R125-W219 CarbonylContact C-O 3.56Å; R125-W219 WeakPolarHBondContact CA-O 3.23Å; R125-W219 VanDerWaalsContact CB-O 3.28Å; R125-W219 WeakPolarHBondContact CB-O 3.5Å; R125-Y220 HydrophobicContact CB-CD1 3.7Å; R125-Y220 HydrophobicContact CB-CD2 4.47Å; R125-Y220 HydrophobicContact CB-CE1 3.79Å; R125-Y220 HydrophobicContact CB-CG 4.05Å; R125-Y220 HydrophobicContact CG-CD1 4.42Å; R125-Y220 HydrophobicContact CG-CE1 4.03Å
126S96.9Very high88.3Confident17 Ų1756.7 Ų56.712%0.11928%0.277CS..PPolyproline II helixtrans-65.7167.2172.568.10000111.8W219 F221S126-W219 PolarHBondContact N-O 2.83Å; S126-W219 PolarHBondContact OG-N 3.05Å; S126-W219 VanDerWaalsContact OG-N 3.07Å; S126-F221 VanDerWaalsContact N-CE2 3.34Å
127K97.4Very high89Confident112 Ų11251.1 Ų51.149%0.48727%0.265SS..PPolyproline II helixtrans-56.6156.9152.7-71.4-169.3-178.8-168.80109.6W88 V89 M129W88-K127 HydrophobicContact CE3-CB 4.01Å; W88-K127 WeakPolarHBondContact CZ3-O 3.49Å; V89-K127 WeakPolarHBondContact O-CB 3.25Å; K127-M129 PolarHBondContact O-N 3.1Å
128A98.3Very high89.9Confident0 Ų049.7 Ų49.70%026%0.259CS..EExtended strand (participates in β ladder)trans-74.8125.9175.300000110.1W88 V89 L103 I216 T217 V218W88-A128 CarbonylContact C-O 3.55Å; W88-A128 WeakPolarHBondContact CA-O 3.2Å; V89-A128 HydrophobicContact CG2-CB 3.87Å; V89-A128 PolarHBondContact N-O 3.26Å; V89-A128 PolarHBondContact O-N 3.24Å; L103-A128 HydrophobicContact CD1-CB 3.97Å; L103-A128 HydrophobicContact CD2-CB 3.92Å; L103-A128 HydrophobicContact CG-CB 4.47Å; A128-I216 HydrophobicContact CB-CG2 3.8Å; A128-T217 WeakPolarHBondContact CA-O 3.46Å; A128-V218 HydrophobicContact CB-CG1 3.86Å
129M98.4Very high91.1Very high15 Ų1547.6 Ų47.67%0.07424%0.237CC..EExtended strand (participates in β ladder)trans-89.4100.9169.5-172.1-176.375.400108.1I86 A87 W88 K127 A131 I216 T217 W219I86-M129 HydrophobicContact CB-CG 4.01Å; I86-M129 HydrophobicContact CB-SD 4.44Å; I86-M129 HydrophobicContact CD1-CG 4.24Å; I86-M129 HydrophobicContact CD1-SD 3.96Å; I86-M129 HydrophobicContact CG2-CG 4.07Å; I86-M129 HydrophobicContact CG2-SD 4.03Å; A87-M129 WeakPolarHBondContact O-CA 3.36Å; W88-M129 HydrophobicContact CD2-CB 4.3Å; W88-M129 HydrophobicContact CD2-CG 4.48Å; W88-M129 HydrophobicContact CE3-CB 3.96Å; W88-M129 HydrophobicContact CH2-CB 3.99Å; W88-M129 HydrophobicContact CH2-CG 4.37Å; W88-M129 HydrophobicContact CH2-SD 4.35Å; W88-M129 HydrophobicContact CZ2-CB 4.26Å; W88-M129 HydrophobicContact CZ2-CG 4.16Å; W88-M129 HydrophobicContact CZ2-SD 4.05Å; W88-M129 HydrophobicContact CZ3-CB 3.81Å; K127-M129 PolarHBondContact O-N 3.1Å; M129-A131 HydrophobicContact CE-CB 4.45Å; M129-I216 WeakPolarHBondContact O-CA 3.29Å; M129-T217 PolarHBondContact N-O 3.43Å; M129-T217 PolarHBondContact O-N 3.04Å; M129-W219 HydrophobicContact CB-CH2 4.15Å; M129-W219 HydrophobicContact CB-CZ3 3.94Å; M129-W219 HydrophobicContact CE-CH2 3.7Å; M129-W219 HydrophobicContact CE-CZ2 4.43Å; M129-W219 HydrophobicContact SD-CH2 3.78Å; M129-W219 HydrophobicContact SD-CZ3 4.38Å
130V98.6Very high92.4Very high0 Ų048.5 Ų48.50%024%0.24CC..EExtended strand (participates in β ladder)trans-75.6126.6167.9179.90000107.1V55 M58 I86 A87 V89 I216V55-V130 HydrophobicContact CB-CG1 4.29Å; V55-V130 HydrophobicContact CG1-CG1 3.66Å; V55-V130 HydrophobicContact CG2-CG1 3.86Å; V55-V130 HydrophobicContact CG2-CG2 4.49Å; M58-V130 HydrophobicContact SD-CG2 4.23Å; I86-V130 CarbonylContact C-O 3.49Å; I86-V130 WeakPolarHBondContact CA-O 3.3Å; A87-V130 PolarHBondContact N-O 3.02Å; A87-V130 PolarHBondContact O-N 3.2Å; V89-V130 HydrophobicContact CG2-CG2 3.87Å; V130-I216 HydrophobicContact CG2-CG1 4.28Å
131A98.2Very high93.9Very high3 Ų343.6 Ų43.63%0.02522%0.224CC..EExtended strand (participates in β ladder)trans-126.9140.7-178.200000111.5Q85 I86 M129 Y214 A215Q85-A131 CarbonylContact O-C 3.59Å; Q85-A131 WeakPolarHBondContact O-CA 3.36Å; I86-A131 HydrophobicContact CG2-CB 3.98Å; M129-A131 HydrophobicContact CE-CB 4.45Å; A131-Y214 VanDerWaalsContact O-CA 3.31Å; A131-Y214 WeakPolarHBondContact O-CA 3.33Å; A131-A215 PolarHBondContact N-O 3.39Å; A131-A215 PolarHBondContact O-N 3.05Å
132C98.4Very high95Very high0 Ų047.9 Ų47.90%024%0.24CC..EExtended strand (participates in β ladder)trans-124.5119.8172.6176.50000109.1H59 L64 D84 Q85 R213 Y214H59-C132 PolarHBondContact CE1-SG 3.46Å; L64-C132 HydrophobicContact CD2-CB 3.39Å; D84-C132 CarbonylContact C-O 3.51Å; D84-C132 VanDerWaalsContact CA-O 3.22Å; D84-C132 WeakPolarHBondContact CA-O 3.4Å; D84-C132 WeakPolarHBondContact CB-O 3.44Å; Q85-C132 PolarHBondContact N-O 2.8Å; Q85-C132 PolarHBondContact O-N 3.11Å; C132-R213 WeakPolarHBondContact CA-O 3.42Å; C132-Y214 HydrophobicContact CB-CD1 3.79Å; C132-Y214 HydrophobicContact CB-CE1 3.68Å; C132-Y214 VanDerWaalsContact SG-CE1 3.54Å
133Y97.6Very high95.5Very high12 Ų1248.4 Ų48.45%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-94.1111.6163.4-65.7-108.8000106.5D84 G135 A138 V206 T212 R213D84-Y133 HydrophobicContact CB-CD1 3.9Å; D84-Y133 HydrophobicContact CB-CD2 3.77Å; D84-Y133 HydrophobicContact CB-CE1 3.78Å; D84-Y133 HydrophobicContact CB-CE2 3.62Å; D84-Y133 HydrophobicContact CB-CG 3.88Å; Y133-G135 PolarHBondContact O-N 3.18Å; Y133-A138 HydrophobicContact CD1-CB 4.29Å; Y133-V206 HydrophobicContact CD1-CG1 4.36Å; Y133-V206 HydrophobicContact CE1-CB 4.28Å; Y133-V206 HydrophobicContact CE1-CG1 3.99Å; Y133-T212 WeakPolarHBondContact O-CA 3.4Å; Y133-R213 PolarHBondContact N-O 3.47Å; Y133-R213 PolarHBondContact O-N 3.22Å
134P95.6Very high96.2Very high51 Ų5140.6 Ų40.633%0.33122%0.216SC..EExtended strand (participates in β ladder)trans-77.715.8-16732.5-37.8000114.3G83G83-P134 WeakPolarHBondContact O-CD 3.48Å
135G94.4Very high96.5Very high3 Ų337.4 Ų37.43%0.03120%0.202CC..SBendtrans84.2-150.9-171.800000112.9Y133 G137 A138 S209Y133-G135 PolarHBondContact O-N 3.18Å; G135-G137 PolarHBondContact O-N 3.49Å; G135-G137 VanDerWaalsContact O-N 3.17Å; G135-A138 WeakPolarHBondContact O-CB 3.35Å; G135-A138 PolarHBondContact O-N 2.96Å; G135-S209 CarbonylContact C-O 3.54Å; G135-S209 VanDerWaalsContact CA-O 3.23Å; G135-S209 WeakPolarHBondContact CA-O 3.36Å
136N94.1Very high96.6Very high159 Ų15934.6 Ų34.685%0.8519%0.192SC*.THydrogen-bonded Turntrans54.832178-59.1-42.1000115A138 S209N136-A138 VanDerWaalsContact C-N 3.29Å; N136-A138 PolarHBondContact O-N 3.33Å; N136-S209 PolarHBondContact N-O 2.86Å
137G95.3Very high96.4Very high28 Ų2836.1 Ų36.129%0.28920%0.201SC..THydrogen-bonded Turntrans78.110.2-178.600000114.2G135 G139 S209G135-G137 PolarHBondContact O-N 3.49Å; G135-G137 VanDerWaalsContact O-N 3.17Å; G137-G139 PolarHBondContact O-N 3.32Å; G137-S209 WeakPolarHBondContact CA-O 3.47Å; G137-S209 PolarHBondContact N-O 2.97Å
138A94.3Very high96.2Very high15 Ų1536.7 Ų36.712%0.12421%0.209CC..EExtended strand (participates in β ladder)trans-57.9131.9174.700000110.7Y133 G135 N136 S209Y133-A138 HydrophobicContact CD1-CB 4.29Å; G135-A138 WeakPolarHBondContact O-CB 3.35Å; G135-A138 PolarHBondContact O-N 2.96Å; N136-A138 VanDerWaalsContact C-N 3.29Å; N136-A138 PolarHBondContact O-N 3.33Å; A138-S209 PolarHBondContact N-O 2.65Å; A138-S209 WeakPolarHBondContact O-CB 3.4Å; A138-S209 PolarHBondContact O-N 2.92Å
139G95.4Very high95.9Very high17 Ų1745.1 Ų45.118%0.17524%0.241CC..EExtended strand (participates in β ladder)trans-150-169.2179.500000111.1R82 G83 G137 V206R82-G139 WeakPolarHBondContact CA-O 3.32Å; G83-G139 PolarHBondContact N-O 2.91Å; G137-G139 PolarHBondContact O-N 3.32Å; G139-V206 WeakPolarHBondContact CA-O 3.31Å
140Y96.5Very high95.6Very high34 Ų3446.4 Ų46.413%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-137.7117.9174-161.9-19.1000107.7L69 I81 R82 H143 E205 V206L69-Y140 HydrophobicContact CD2-CE1 4.48Å; L69-Y140 WeakPolarHBondContact CD2-OH 3.43Å; I81-Y140 HydrophobicContact CG2-CD1 4.45Å; I81-Y140 HydrophobicContact CG2-CE1 3.96Å; I81-Y140 WeakPolarHBondContact O-CA 3.33Å; I81-Y140 VanDerWaalsContact O-CD1 3.22Å; I81-Y140 WeakPolarHBondContact O-CD1 3.43Å; R82-Y140 HydrophobicContact CB-CD1 3.89Å; R82-Y140 HydrophobicContact CB-CD2 4.08Å; R82-Y140 HydrophobicContact CB-CE1 4.12Å; R82-Y140 HydrophobicContact CB-CE2 4.31Å; R82-Y140 HydrophobicContact CB-CG 3.87Å; Y140-H143 AromaticContact CD1-CE1 3.72Å; Y140-H143 AromaticContact CD1-ND1 3.58Å; Y140-H143 AromaticContact CD2-CE1 3.52Å; Y140-H143 AromaticContact CE1-CE1 3.73Å; Y140-H143 AromaticContact CE1-CG 3.95Å; Y140-H143 AromaticContact CE1-ND1 3.55Å; Y140-H143 AromaticContact CE2-CE1 3.5Å; Y140-H143 AromaticContact CE2-NE2 3.59Å; Y140-H143 AromaticContact CG-CE1 3.63Å; Y140-H143 AromaticContact CG-ND1 3.94Å; Y140-H143 AromaticContact CZ-CD2 3.99Å; Y140-H143 AromaticContact CZ-CE1 3.61Å; Y140-H143 AromaticContact CZ-ND1 3.84Å; Y140-H143 AromaticContact CZ-NE2 3.67Å; Y140-E205 CarbonylContact O-C 3.53Å; Y140-E205 WeakPolarHBondContact O-CA 3.46Å; Y140-E205 WeakPolarHBondContact O-CB 3.4Å; Y140-V206 PolarHBondContact N-O 3.07Å; Y140-V206 PolarHBondContact O-N 2.78Å
141V95.7Very high95.4Very high69 Ų6946.4 Ų46.442%0.41825%0.248SC..EExtended strand (participates in β ladder)trans-53.3157.1176.2-56.10000112.2S80 I81 H143S80-V141 WeakPolarHBondContact O-CG1 3.39Å; I81-V141 HydrophobicContact CB-CG2 4.45Å; I81-V141 HydrophobicContact CG2-CG2 3.71Å; I81-V141 PolarHBondContact O-N 2.8Å; V141-H143 PolarHBondContact O-N 2.89Å; V141-H143 PolarHBondContact O-ND1 2.9Å
142K96.7Very high95.3Very high105 Ų10548.7 Ų48.746%0.45726%0.256SS..EExtended strand (participates in β ladder)trans-54124.8177.4-171173.7178.4168.40112.1F176 H204 E205K142-F176 HydrophobicContact CD-CD2 3.82Å; K142-F176 HydrophobicContact CD-CE2 3.67Å; K142-F176 HydrophobicContact CD-CG 4.49Å; K142-F176 HydrophobicContact CD-CZ 4.25Å; K142-F176 HydrophobicContact CG-CD2 4.24Å; K142-F176 HydrophobicContact CG-CE2 4.1Å; K142-F176 VanDerWaalsContact NZ-CG 3.29Å; K142-H204 CarbonylContact C-O 3.55Å; K142-H204 VanDerWaalsContact CA-O 3.29Å; K142-H204 WeakPolarHBondContact CA-O 3.29Å; K142-E205 HydrophobicContact CB-CB 4.07Å
143H96.4Very high95.1Very high35 Ų3552.3 Ų52.316%0.16227%0.27CS..EExtended strand (participates in β ladder)trans-148173.1179.963.5-75.9000111.5Y140 V141 D145 P203 H204Y140-H143 AromaticContact CD1-CE1 3.72Å; Y140-H143 AromaticContact CD1-ND1 3.58Å; Y140-H143 AromaticContact CD2-CE1 3.52Å; Y140-H143 AromaticContact CE1-CE1 3.73Å; Y140-H143 AromaticContact CE1-CG 3.95Å; Y140-H143 AromaticContact CE1-ND1 3.55Å; Y140-H143 AromaticContact CE2-CE1 3.5Å; Y140-H143 AromaticContact CE2-NE2 3.59Å; Y140-H143 AromaticContact CG-CE1 3.63Å; Y140-H143 AromaticContact CG-ND1 3.94Å; Y140-H143 AromaticContact CZ-CD2 3.99Å; Y140-H143 AromaticContact CZ-CE1 3.61Å; Y140-H143 AromaticContact CZ-ND1 3.84Å; Y140-H143 AromaticContact CZ-NE2 3.67Å; V141-H143 PolarHBondContact O-N 2.89Å; V141-H143 PolarHBondContact O-ND1 2.9Å; H143-D145 IonicContact NE2-OD1 3.71Å; H143-P203 CarbonylContact O-C 3.5Å; H143-P203 VanDerWaalsContact O-CA 3.27Å; H143-P203 WeakPolarHBondContact O-CA 3.49Å; H143-H204 AromaticContact CD2-NE2 3.97Å; H143-H204 AromaticContact CE1-CD2 3.74Å; H143-H204 AromaticContact CE1-NE2 3.57Å; H143-H204 PolarHBondContact N-O 3.3Å; H143-H204 PolarHBondContact ND1-O 3.42Å; H143-H204 AromaticContact NE2-CD2 3.94Å; H143-H204 AromaticContact NE2-CE1 3.98Å; H143-H204 AromaticContact NE2-NE2 3.28Å; H143-H204 PolarHBondContact NE2-NE2 2.89Å; H143-H204 PolarHBondContact O-N 2.91Å
144V97.2Very high95.1Very high34 Ų3451.8 Ų51.821%0.20627%0.268CS..  trans-115.3136.7168.2173.80000106.3P147 D199 R200 P203V144-P147 HydrophobicContact CB-CB 4.26Å; V144-P147 HydrophobicContact CG1-CB 4.33Å; V144-P147 WeakPolarHBondContact O-CD 3.39Å; V144-D199 VanDerWaalsContact CG1-C 3.48Å; V144-R200 HydrophobicContact CG1-CG 4.21Å; V144-P203 HydrophobicContact CG2-CB 4.09Å; V144-P203 HydrophobicContact CG2-CG 4Å
145D96.7Very high95.2Very high14 Ų1449.4 Ų49.48%0.07525%0.253CS..SBendtrans-65.3-52.4-179.4-97.6-20.8000110.4H143 P147 R152 T155 S198 H204 W219H143-D145 IonicContact NE2-OD1 3.71Å; D145-P147 VanDerWaalsContact C-CD 3.42Å; D145-P147 WeakPolarHBondContact O-CD 3.44Å; D145-R152 PolarHBondContact O-NH1 2.88Å; D145-R152 PolarHBondContact O-NH2 3.44Å; D145-R152 IonicContact OD1-NH1 2.81Å; D145-T155 WeakPolarHBondContact OD2-CB 3.44Å; D145-T155 VanDerWaalsContact OD2-CG2 3.24Å; D145-T155 WeakPolarHBondContact OD2-CG2 3.34Å; D145-T155 PolarHBondContact OD2-OG1 3.07Å; D145-S198 WeakPolarHBondContact CB-O 3.41Å; D145-S198 PolarHBondContact N-O 3.03Å; D145-H204 IonicContact OD2-CE1 2.64Å; D145-W219 PolarHBondContact OD2-NE1 3.27Å
146N96.2Very high95.4Very high4 Ų449.3 Ų49.32%0.02125%0.251CS..SBendtrans-113.475179.7-173.410000112.2N148 R149 D150 R152 S198 E225N146-N148 VanDerWaalsContact C-N 3.33Å; N146-R149 WeakPolarHBondContact OD1-CA 3.36Å; N146-R149 PolarHBondContact OD1-N 2.88Å; N146-D150 PolarHBondContact OD1-N 2.92Å; N146-D150 PolarHBondContact OD1-OD1 2.8Å; N146-R152 HydrophobicContact CB-CB 4.05Å; N146-R152 WeakPolarHBondContact CB-O 3.48Å; N146-R152 PolarHBondContact ND2-O 2.8Å; N146-S198 PolarHBondContact N-O 2.9Å; N146-E225 PolarHBondContact ND2-OE1 3.1Å
147P93.8Very high95.7Very high48 Ų4842.5 Ų42.531%0.31222%0.215SC..THydrogen-bonded Turntrans-76.7-21.9-178.630.1-34000113.2V144 D145 R200V144-P147 HydrophobicContact CB-CB 4.26Å; V144-P147 HydrophobicContact CG1-CB 4.33Å; V144-P147 WeakPolarHBondContact O-CD 3.39Å; D145-P147 VanDerWaalsContact C-CD 3.42Å; D145-P147 WeakPolarHBondContact O-CD 3.44Å; P147-R200 PolarHBondContact O-NE 2.9Å; P147-R200 PolarHBondContact O-NH2 2.55Å; P147-R200 VanDerWaalsContact O-NH2 3.12Å
148N92.1Very high95.8Very high125 Ų12541.1 Ų41.167%0.66820%0.201SC*.THydrogen-bonded Turntrans-12320.8-167.1-63.4-33.4000113.4N146 D150N146-N148 VanDerWaalsContact C-N 3.33Å; N148-D150 PolarHBondContact O-N 2.85Å
149R92.3Very high96.1Very high177 Ų17740.4 Ų40.467%0.66820%0.195SC*.  trans55.849.8176-59.3-176.3-177.7177.7-0.8113.6N146 G151 E225 R232N146-R149 WeakPolarHBondContact OD1-CA 3.36Å; N146-R149 PolarHBondContact OD1-N 2.88Å; R149-G151 PolarHBondContact O-N 3.15Å; R149-E225 WeakPolarHBondContact CA-OE1 3.31Å; R149-E225 HydrophobicContact CB-CG 3.98Å; R149-E225 WeakPolarHBondContact O-CG 3.24Å; R149-R232 PolarHBondContact O-NH2 3.47Å
150D92.8Very high96.2Very high42 Ų4239.7 Ų39.723%0.22519%0.187CC..  trans-79.33.5-178.771.314.3000114.8N146 N148 R152 R226N146-D150 PolarHBondContact OD1-N 2.92Å; N146-D150 PolarHBondContact OD1-OD1 2.8Å; N148-D150 PolarHBondContact O-N 2.85Å; D150-R152 WeakPolarHBondContact OD1-CB 3.33Å; D150-R152 VanDerWaalsContact OD1-CG 3.3Å; D150-R152 WeakPolarHBondContact OD1-CG 3.28Å; D150-R152 PolarHBondContact OD1-N 3.42Å; D150-R152 IonicContact OD1-NE 2.75Å; D150-R152 PolarHBondContact OD1-NE 2.87Å; D150-R152 VanDerWaalsContact OD1-NE 3.09Å; D150-R152 IonicContact OD2-CZ 3.85Å; D150-R152 VanDerWaalsContact OD2-CZ 3.23Å; D150-R152 IonicContact OD2-NE 4Å; D150-R152 PolarHBondContact OD2-NE 3.48Å; D150-R152 IonicContact OD2-NH2 2.87Å; D150-R152 PolarHBondContact OD2-NH2 2.9Å; D150-R226 WeakPolarHBondContact O-CD 3.3Å; D150-R226 PolarHBondContact O-NH1 3.12Å
151G94.3Very high96.3Very high0 Ų038.4 Ų38.40%018%0.182CC..SBendtrans103.5-18.3-179.100000114R149 R153 F221 D222 E225R149-G151 PolarHBondContact O-N 3.15Å; G151-R153 PolarHBondContact O-N 3.32Å; G151-F221 CarbonylContact O-C 3.57Å; G151-F221 WeakPolarHBondContact O-CA 3.14Å; G151-D222 PolarHBondContact O-N 2.8Å; G151-E225 VanDerWaalsContact CA-OE1 3.25Å; G151-E225 WeakPolarHBondContact CA-OE1 3.34Å; G151-E225 PolarHBondContact N-OE1 3.01Å
152R95.9Very high96.4Very high51 Ų5139 Ų3919%0.19218%0.179CC..EExtended strand (participates in β ladder)trans-66.9119.1-178.5-71-179.8-75.8164.1-11.1110.4D145 N146 D150 S198 W219 F221D145-R152 PolarHBondContact O-NH1 2.88Å; D145-R152 PolarHBondContact O-NH2 3.44Å; D145-R152 IonicContact OD1-NH1 2.81Å; N146-R152 HydrophobicContact CB-CB 4.05Å; N146-R152 WeakPolarHBondContact CB-O 3.48Å; N146-R152 PolarHBondContact ND2-O 2.8Å; D150-R152 WeakPolarHBondContact OD1-CB 3.33Å; D150-R152 VanDerWaalsContact OD1-CG 3.3Å; D150-R152 WeakPolarHBondContact OD1-CG 3.28Å; D150-R152 PolarHBondContact OD1-N 3.42Å; D150-R152 IonicContact OD1-NE 2.75Å; D150-R152 PolarHBondContact OD1-NE 2.87Å; D150-R152 VanDerWaalsContact OD1-NE 3.09Å; D150-R152 IonicContact OD2-CZ 3.85Å; D150-R152 VanDerWaalsContact OD2-CZ 3.23Å; D150-R152 IonicContact OD2-NE 4Å; D150-R152 PolarHBondContact OD2-NE 3.48Å; D150-R152 IonicContact OD2-NH2 2.87Å; D150-R152 PolarHBondContact OD2-NH2 2.9Å; R152-S198 WeakPolarHBondContact O-CB 3.27Å; R152-W219 HydrophobicContact CB-CB 4.3Å; R152-W219 VanDerWaalsContact CD-CG 3.48Å; R152-W219 HydrophobicContact CG-CB 3.73Å; R152-W219 HydrophobicContact CG-CG 4.03Å; R152-F221 HydrophobicContact CB-CE1 4.47Å; R152-F221 HydrophobicContact CG-CD1 3.84Å; R152-F221 HydrophobicContact CG-CE1 3.37Å; R152-F221 HydrophobicContact CG-CZ 4.23Å
153R94.5Very high96.5Very high76 Ų7641.4 Ų41.429%0.28720%0.197SC..EExtended strand (participates in β ladder)trans-108.9-47.3-173.9-173.9166.4-178.7111.8-0.3112.7D119 G151 W197 S198 Y220 D222D119-R153 IonicContact OD1-CZ 3.23Å; D119-R153 IonicContact OD1-NE 3.64Å; D119-R153 IonicContact OD1-NH2 3.86Å; D119-R153 IonicContact OD2-CZ 2.68Å; D119-R153 IonicContact OD2-NE 3.65Å; D119-R153 PolarHBondContact OD2-NE 3.1Å; D119-R153 IonicContact OD2-NH1 2.79Å; D119-R153 IonicContact OD2-NH2 2.94Å; D119-R153 PolarHBondContact OD2-NH2 3.39Å; G151-R153 PolarHBondContact O-N 3.32Å; R153-W197 HydrophobicContact CG-CE3 4.38Å; R153-W197 HydrophobicContact CG-CZ3 4.24Å; R153-W197 WeakPolarHBondContact O-CA 3.46Å; R153-S198 PolarHBondContact O-N 2.91Å; R153-S198 PolarHBondContact O-OG 3.36Å; R153-Y220 PolarHBondContact N-O 3.38Å; R153-D222 HydrophobicContact CB-CB 4.24Å; R153-D222 IonicContact CZ-OD2 3.01Å; R153-D222 IonicContact NH1-OD2 3.76Å; R153-D222 PolarHBondContact NH1-OD2 2.81Å
154L96.7Very high96.6Very high1 Ų140.8 Ų40.81%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-120.1133.1176.2-64.4172.4000110.1L31 I110 I122 I195 W197 S198 W219 Y220L31-L154 HydrophobicContact CD1-CD2 4.35Å; L31-L154 HydrophobicContact CD2-CD2 4.46Å; I110-L154 HydrophobicContact CD1-CD1 4.04Å; I110-L154 HydrophobicContact CG2-CD1 4.32Å; I122-L154 HydrophobicContact CD1-CD1 3.85Å; I122-L154 HydrophobicContact CD1-CG 4.38Å; L154-I195 HydrophobicContact CD2-CG2 4.3Å; L154-W197 HydrophobicContact CD2-CD2 4.11Å; L154-W197 HydrophobicContact CD2-CE3 3.43Å; L154-W197 VanDerWaalsContact CD2-CE3 3.43Å; L154-W197 HydrophobicContact CD2-CH2 4.26Å; L154-W197 HydrophobicContact CD2-CZ3 3.52Å; L154-W197 HydrophobicContact CG-CE3 4.39Å; L154-W197 HydrophobicContact CG-CZ3 4.28Å; L154-S198 WeakPolarHBondContact CA-OG 3.25Å; L154-S198 PolarHBondContact N-OG 2.87Å; L154-W219 CarbonylContact O-C 3.59Å; L154-W219 WeakPolarHBondContact O-CA 3.5Å; L154-Y220 PolarHBondContact N-O 3.39Å; L154-Y220 PolarHBondContact O-N 3.12Å
155T98.5Very high96.6Very high1 Ų141.5 Ų41.51%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-100.2124168.1-55.70000108D145 I157 I195 F196 S198 T217 W219D145-T155 WeakPolarHBondContact OD2-CB 3.44Å; D145-T155 VanDerWaalsContact OD2-CG2 3.24Å; D145-T155 WeakPolarHBondContact OD2-CG2 3.34Å; D145-T155 PolarHBondContact OD2-OG1 3.07Å; T155-I157 HydrophobicContact CG2-CD1 4.25Å; T155-I157 HydrophobicContact CG2-CG1 3.94Å; T155-I195 VanDerWaalsContact O-CA 3.31Å; T155-I195 WeakPolarHBondContact O-CA 3.3Å; T155-F196 VanDerWaalsContact CB-CZ 3.45Å; T155-F196 HydrophobicContact CG2-CD1 4.46Å; T155-F196 HydrophobicContact CG2-CE1 3.61Å; T155-F196 HydrophobicContact CG2-CE2 4.18Å; T155-F196 HydrophobicContact CG2-CZ 3.44Å; T155-F196 VanDerWaalsContact CG2-CZ 3.44Å; T155-F196 PolarHBondContact N-O 3.16Å; T155-F196 PolarHBondContact O-N 2.82Å; T155-S198 PolarHBondContact N-OG 3.27Å; T155-S198 WeakPolarHBondContact OG1-CB 3.31Å; T155-S198 PolarHBondContact OG1-OG 3.43Å; T155-T217 HydrophobicContact CG2-CG2 3.81Å; T155-W219 PolarHBondContact OG1-NE1 3.44Å
156C98.7Very high96.5Very high1 Ų142.4 Ų42.41%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-114.9123.7174.1-59.90000109.3I106 L193 L194 T217 V218 Y220I106-C156 HydrophobicContact CG2-CB 4.12Å; C156-L193 HydrophobicContact CB-CD1 4.29Å; C156-L194 CarbonylContact C-O 3.44Å; C156-L194 VanDerWaalsContact CA-O 3.3Å; C156-L194 WeakPolarHBondContact CA-O 3.28Å; C156-T217 CarbonylContact O-C 3.45Å; C156-T217 VanDerWaalsContact O-CA 3.31Å; C156-T217 WeakPolarHBondContact O-CA 3.36Å; C156-V218 HydrophobicContact CB-CG2 3.81Å; C156-V218 PolarHBondContact N-O 3.22Å; C156-V218 PolarHBondContact O-N 2.9Å; C156-Y220 HydrophobicContact CB-CE2 4.34Å
157I98.9Very high96.6Very high15 Ų1551.7 Ų51.78%0.07724%0.243CC..EExtended strand (participates in β ladder)trans-122121.7-179.7-50.9-176.6000109.2T155 Y159 L173 L193 L194 F196 A215 I216 T217T155-I157 HydrophobicContact CG2-CD1 4.25Å; T155-I157 HydrophobicContact CG2-CG1 3.94Å; I157-Y159 HydrophobicContact CG2-CD1 4.11Å; I157-Y159 HydrophobicContact CG2-CE1 3.61Å; I157-Y159 HydrophobicContact CG2-CE2 4.25Å; I157-L173 HydrophobicContact CD1-CD2 4.49Å; I157-L193 CarbonylContact O-C 3.51Å; I157-L193 WeakPolarHBondContact O-CA 3.48Å; I157-L194 HydrophobicContact CB-CB 4.44Å; I157-L194 HydrophobicContact CD1-CD2 4.43Å; I157-L194 PolarHBondContact N-O 3.39Å; I157-L194 PolarHBondContact O-N 2.93Å; I157-F196 HydrophobicContact CD1-CE1 3.82Å; I157-F196 HydrophobicContact CD1-CZ 4.35Å; I157-F196 HydrophobicContact CG1-CE1 4.24Å; I157-A215 HydrophobicContact CG2-CB 3.87Å; I157-I216 CarbonylContact C-O 3.6Å; I157-I216 WeakPolarHBondContact CA-O 3.48Å; I157-T217 HydrophobicContact CG1-CG2 4.07Å
158Y98.9Very high96.8Very high0 Ų055.6 Ų55.60%026%0.257CS..EExtended strand (participates in β ladder)trans-102.3127.2171.1-174.8-105.9000110.4L42 L43 G48 V51 L102 L160 D191 R192 L193 A215 I216L42-Y158 HydrophobicContact CB-CE2 4.31Å; L42-Y158 HydrophobicContact CD2-CD2 4.3Å; L42-Y158 HydrophobicContact CD2-CE2 4.29Å; L43-Y158 HydrophobicContact CD1-CE1 4.28Å; L43-Y158 HydrophobicContact CD1-CE2 4.42Å; L43-Y158 WeakPolarHBondContact CD1-OH 3.5Å; L43-Y158 HydrophobicContact CG-CE2 4.26Å; G48-Y158 WeakPolarHBondContact CA-OH 3.33Å; V51-Y158 HydrophobicContact CB-CE1 4.49Å; V51-Y158 HydrophobicContact CG1-CE1 4.27Å; L102-Y158 HydrophobicContact CD1-CD1 4.07Å; L102-Y158 HydrophobicContact CD1-CD2 3.78Å; L102-Y158 HydrophobicContact CD1-CE1 4.29Å; L102-Y158 HydrophobicContact CD1-CE2 4.05Å; L102-Y158 HydrophobicContact CD1-CG 3.79Å; L102-Y158 HydrophobicContact CD2-CD1 3.43Å; L102-Y158 VanDerWaalsContact CD2-CD1 3.43Å; L102-Y158 HydrophobicContact CD2-CE1 4.04Å; L102-Y158 HydrophobicContact CD2-CG 3.71Å; L102-Y158 HydrophobicContact CG-CD1 4.41Å; L102-Y158 HydrophobicContact CG-CG 4.41Å; Y158-L160 HydrophobicContact CD1-CD2 3.8Å; Y158-L160 HydrophobicContact CD1-CG 4.11Å; Y158-L160 HydrophobicContact CE1-CD2 3.45Å; Y158-L160 VanDerWaalsContact CE1-CD2 3.45Å; Y158-L160 HydrophobicContact CE1-CG 4.2Å; Y158-D191 VanDerWaalsContact CE2-OD1 3.27Å; Y158-D191 WeakPolarHBondContact CE2-OD1 3.38Å; Y158-D191 VanDerWaalsContact CZ-OD1 3.3Å; Y158-D191 WeakPolarHBondContact OH-CA 3.44Å; Y158-D191 PolarHBondContact OH-OD1 3.1Å; Y158-R192 CarbonylContact C-O 3.57Å; Y158-R192 WeakPolarHBondContact CA-O 3.41Å; Y158-L193 HydrophobicContact CD2-CB 4.34Å; Y158-A215 CarbonylContact O-C 3.49Å; Y158-A215 WeakPolarHBondContact O-CA 3.44Å; Y158-I216 PolarHBondContact N-O 3.24Å; Y158-I216 PolarHBondContact O-N 3.05Å
159Y98.9Very high97.1Very high0 Ų051.9 Ų51.90%024%0.236CC..EExtended strand (participates in β ladder)trans-102.9144.9-176.6-65.2-65.6000112.1I157 L173 I186 P188 L189 D191 R192 L194 A215I157-Y159 HydrophobicContact CG2-CD1 4.11Å; I157-Y159 HydrophobicContact CG2-CE1 3.61Å; I157-Y159 HydrophobicContact CG2-CE2 4.25Å; Y159-L173 WeakPolarHBondContact OH-CD2 3.39Å; Y159-I186 HydrophobicContact CE2-CG2 4.24Å; Y159-P188 HydrophobicContact CD1-CB 3.44Å; Y159-P188 VanDerWaalsContact CD1-CB 3.44Å; Y159-P188 HydrophobicContact CE1-CB 3.71Å; Y159-P188 HydrophobicContact CG-CB 3.95Å; Y159-L189 WeakPolarHBondContact CB-O 3.32Å; Y159-D191 PolarHBondContact O-N 3.04Å; Y159-R192 HydrophobicContact CD2-CB 4.02Å; Y159-R192 HydrophobicContact CD2-CG 3.92Å; Y159-R192 HydrophobicContact CE2-CG 4.5Å; Y159-R192 PolarHBondContact N-O 3.32Å; Y159-L194 HydrophobicContact CE2-CB 3.99Å; Y159-L194 HydrophobicContact CE2-CD2 4.35Å; Y159-A215 HydrophobicContact CD1-CB 3.96Å; Y159-A215 HydrophobicContact CE1-CB 4.15Å
160L98.9Very high97.4Very high1 Ų144 Ų441%0.00521%0.209CC..  trans-125.412.3-165.8-66.2160.1000113.3V51 L52 V55 Y158 K162 I216V51-L160 HydrophobicContact CB-CD2 3.96Å; V51-L160 HydrophobicContact CG1-CD2 3.65Å; L52-L160 HydrophobicContact CB-CB 4.49Å; L52-L160 HydrophobicContact CB-CD2 4.13Å; L52-L160 HydrophobicContact CD1-CB 4Å; V55-L160 HydrophobicContact CB-CD1 4.08Å; V55-L160 HydrophobicContact CG1-CD1 4.13Å; V55-L160 HydrophobicContact CG2-CD1 3.73Å; Y158-L160 HydrophobicContact CD1-CD2 3.8Å; Y158-L160 HydrophobicContact CD1-CG 4.11Å; Y158-L160 HydrophobicContact CE1-CD2 3.45Å; Y158-L160 VanDerWaalsContact CE1-CD2 3.45Å; Y158-L160 HydrophobicContact CE1-CG 4.2Å; L160-K162 PolarHBondContact O-N 2.98Å; L160-I216 HydrophobicContact CD1-CD1 4.06Å; L160-I216 HydrophobicContact CD1-CG1 3.91Å
161N98.8Very high97.6Very high7 Ų742 Ų424%0.03720%0.199CC..BIsolated β-bridgetrans-96.997.3-163.4-45.9-74.3000111.7W164 P188 F190 R213 Y214N161-W164 HydrophobicContact CB-CB 4.21Å; N161-W164 HydrophobicContact CB-CD2 4.09Å; N161-W164 HydrophobicContact CB-CE3 3.53Å; N161-W164 HydrophobicContact CB-CG 4.42Å; N161-W164 HydrophobicContact CB-CZ3 4.2Å; N161-P188 WeakPolarHBondContact CB-O 3.2Å; N161-P188 PolarHBondContact ND2-O 2.9Å; N161-F190 WeakPolarHBondContact O-CB 3.28Å; N161-F190 PolarHBondContact O-N 3.43Å; N161-R213 WeakPolarHBondContact OD1-CA 3.48Å; N161-Y214 PolarHBondContact ND2-O 2.77Å; N161-Y214 PolarHBondContact OD1-N 3.19Å; N161-Y214 PolarHBondContact OD1-O 2.84Å
162K98.3Very high97.8Very high82 Ų8242.6 Ų42.636%0.35720%0.202SC..THydrogen-bonded Turntrans-64143.3178.3-67.8-162.9179.7-153.20110.6D45 S49 L52 L160 W164 F190D45-K162 IonicContact OD1-NZ 3.96Å; D45-K162 PolarHBondContact OD1-NZ 2.89Å; D45-K162 IonicContact OD2-NZ 2.92Å; S49-K162 WeakPolarHBondContact OG-CE 3.32Å; S49-K162 PolarHBondContact OG-NZ 2.83Å; L52-K162 HydrophobicContact CD2-CD 4.45Å; L52-K162 HydrophobicContact CD2-CG 4.21Å; L160-K162 PolarHBondContact O-N 2.98Å; K162-W164 PolarHBondContact O-N 3.23Å; K162-W164 VanDerWaalsContact O-N 3.16Å; K162-F190 HydrophobicContact CD-CD2 4.48Å; K162-F190 HydrophobicContact CD-CE2 4.47Å; K162-F190 HydrophobicContact CG-CB 4.07Å; K162-F190 HydrophobicContact CG-CD1 4.26Å; K162-F190 HydrophobicContact CG-CD2 3.59Å; K162-F190 HydrophobicContact CG-CE2 4.04Å; K162-F190 HydrophobicContact CG-CG 3.72Å
163N97.6Very high98Very high156 Ų15640.2 Ų40.283%0.83419%0.194SC*.THydrogen-bonded Turntrans53.235.7175.6-53-38.7000113.8N165N163-N165 PolarHBondContact O-N 2.84Å
164W98.4Very high98.2Very high21 Ų2140 Ų408%0.0819%0.193CC..  trans-72.2113.4-177-167.4-90.4000112.5N161 K162 P166 H169 G170 P188 L189 S209 T212 R213N161-W164 HydrophobicContact CB-CB 4.21Å; N161-W164 HydrophobicContact CB-CD2 4.09Å; N161-W164 HydrophobicContact CB-CE3 3.53Å; N161-W164 HydrophobicContact CB-CG 4.42Å; N161-W164 HydrophobicContact CB-CZ3 4.2Å; K162-W164 PolarHBondContact O-N 3.23Å; K162-W164 VanDerWaalsContact O-N 3.16Å; W164-P166 WeakPolarHBondContact O-CD 3.45Å; W164-H169 HydrophobicContact CD2-CB 3.98Å; W164-H169 AromaticContact CD2-ND1 3.91Å; W164-H169 HydrophobicContact CE3-CB 4.19Å; W164-H169 AromaticContact CE3-ND1 3.83Å; W164-H169 HydrophobicContact CH2-CB 3.7Å; W164-H169 HydrophobicContact CZ2-CB 3.43Å; W164-H169 VanDerWaalsContact CZ2-CB 3.43Å; W164-H169 HydrophobicContact CZ3-CB 4.08Å; W164-G170 WeakPolarHBondContact CZ2-O 3.23Å; W164-G170 PolarHBondContact NE1-O 3.43Å; W164-P188 HydrophobicContact CD2-CG 4.04Å; W164-P188 HydrophobicContact CG-CG 4.13Å; W164-P188 HydrophobicContact CZ2-CG 4.17Å; W164-L189 HydrophobicContact CB-CD2 4.21Å; W164-S209 WeakPolarHBondContact CH2-OG 3.08Å; W164-T212 WeakPolarHBondContact CZ3-O 3.42Å; W164-R213 HydrophobicContact CH2-CB 3.63Å; W164-R213 HydrophobicContact CH2-CG 4.25Å; W164-R213 HydrophobicContact CZ2-CB 4.33Å; W164-R213 HydrophobicContact CZ3-CB 4.08Å
165N97.8Very high98.3Very high49 Ų4940 Ų4026%0.26219%0.192SC..  trans-97.6108.5170-175.9-11.3000110.4N163 K167 E168 H169N163-N165 PolarHBondContact O-N 2.84Å; N165-K167 PolarHBondContact O-N 3.33Å; N165-K167 WeakPolarHBondContact OD1-CB 3.16Å; N165-K167 PolarHBondContact OD1-N 3.47Å; N165-E168 HydrophobicContact CB-CB 4.23Å; N165-E168 PolarHBondContact ND2-OE1 2.67Å; N165-E168 PolarHBondContact ND2-OE2 3.26Å; N165-E168 PolarHBondContact O-N 2.85Å; N165-H169 PolarHBondContact N-ND1 3.16Å; N165-H169 WeakPolarHBondContact O-CB 3.46Å; N165-H169 PolarHBondContact O-N 3.23Å
166P95.3Very high98.2Very high34 Ų3442.1 Ų42.122%0.22120%0.202CC..Hα-helixtrans-66.5-21-177.828.7-36.8000113.9W164 G170 V172 K187W164-P166 WeakPolarHBondContact O-CD 3.45Å; P166-G170 WeakPolarHBondContact O-CA 3.4Å; P166-G170 PolarHBondContact O-N 2.81Å; P166-G170 VanDerWaalsContact O-N 3.11Å; P166-V172 HydrophobicContact CB-CG2 3.86Å; P166-K187 HydrophobicContact CB-CG 4.36Å; P166-K187 HydrophobicContact CG-CD 3.92Å; P166-K187 HydrophobicContact CG-CG 4.14Å
167K97.1Very high98.1Very high199 Ų19942.5 Ų42.587%0.86520%0.204SC*.Hα-helixtrans-72.4-34.4176.4-66.5-176.8176.3-178.80111.9N165N165-K167 PolarHBondContact O-N 3.33Å; N165-K167 WeakPolarHBondContact OD1-CB 3.16Å; N165-K167 PolarHBondContact OD1-N 3.47Å
168E97.6Very high97.9Very high129 Ų12948 Ų4860%0.60323%0.229SC*.Hα-helixtrans-93.3-45.2-178.4-70.1164.2-171.800111.2N165N165-E168 HydrophobicContact CB-CB 4.23Å; N165-E168 PolarHBondContact ND2-OE1 2.67Å; N165-E168 PolarHBondContact ND2-OE2 3.26Å; N165-E168 PolarHBondContact O-N 2.85Å
169H98.5Very high97.5Very high48 Ų4851.9 Ų51.922%0.22227%0.27CS..Hα-helixtrans-94-14.3-172.1-54.3155.5000113.8W164 N165 G171 Y210W164-H169 HydrophobicContact CD2-CB 3.98Å; W164-H169 AromaticContact CD2-ND1 3.91Å; W164-H169 HydrophobicContact CE3-CB 4.19Å; W164-H169 AromaticContact CE3-ND1 3.83Å; W164-H169 HydrophobicContact CH2-CB 3.7Å; W164-H169 HydrophobicContact CZ2-CB 3.43Å; W164-H169 VanDerWaalsContact CZ2-CB 3.43Å; W164-H169 HydrophobicContact CZ3-CB 4.08Å; N165-H169 PolarHBondContact N-ND1 3.16Å; N165-H169 WeakPolarHBondContact O-CB 3.46Å; N165-H169 PolarHBondContact O-N 3.23Å; H169-G171 PolarHBondContact O-N 2.75Å; H169-Y210 PolarHBondContact O-N 3.32Å
170G98.4Very high97.1Very high11 Ų1157 Ų5711%0.11329%0.292CS..BIsolated β-bridgetrans62-132.5-174.800000112.6W164 P166 V172W164-G170 WeakPolarHBondContact CZ2-O 3.23Å; W164-G170 PolarHBondContact NE1-O 3.43Å; P166-G170 WeakPolarHBondContact O-CA 3.4Å; P166-G170 PolarHBondContact O-N 2.81Å; P166-G170 VanDerWaalsContact O-N 3.11Å; G170-V172 PolarHBondContact O-N 3.03Å
171G98.1Very high96.8Very high0 Ų063.3 Ų63.30%034%0.336CS..  trans67.815.816900000116H169 Q207 P208 R213H169-G171 PolarHBondContact O-N 2.75Å; G171-Q207 WeakPolarHBondContact CA-O 3.36Å; G171-P208 PolarHBondContact N-O 3.39Å; G171-R213 PolarHBondContact O-NE 2.96Å
172V98.7Very high96.6Very high12 Ų1266.9 Ų66.97%0.07335%0.35CS..  trans-64.9133178.4173.70000109.8P166 G170 D185 Q207P166-V172 HydrophobicContact CB-CG2 3.86Å; G170-V172 PolarHBondContact O-N 3.03Å; V172-D185 HydrophobicContact CG1-CB 3.67Å; V172-Q207 WeakPolarHBondContact O-CB 3.13Å; V172-Q207 PolarHBondContact O-N 3.32Å
173L98.8Very high96.5Very high2 Ų266.4 Ų66.41%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-82.3118.2165.817982.3000108I157 Y159 I175 I186 L194 H204 E205 V206I157-L173 HydrophobicContact CD1-CD2 4.49Å; Y159-L173 WeakPolarHBondContact OH-CD2 3.39Å; L173-I175 HydrophobicContact CD2-CD1 4.2Å; L173-I175 HydrophobicContact CD2-CG1 4.14Å; L173-I175 HydrophobicContact CG-CG1 4.38Å; L173-I186 HydrophobicContact CB-CB 4.32Å; L173-I186 PolarHBondContact N-O 2.83Å; L173-I186 PolarHBondContact O-N 2.85Å; L173-L194 HydrophobicContact CD2-CD2 3.23Å; L173-H204 HydrophobicContact CD1-CB 4.37Å; L173-E205 CarbonylContact C-O 3.46Å; L173-E205 WeakPolarHBondContact CA-O 3.27Å; L173-V206 HydrophobicContact CD1-CG2 3.76Å
174R98.8Very high96.5Very high71 Ų7159.4 Ų59.427%0.26832%0.318SS..EExtended strand (participates in β ladder)trans-105.1120178.4173.8168.4-74.7174.70.5109.9F176 V183 A184 D185 H204 E205 Q207R174-F176 VanDerWaalsContact CD-CZ 3.48Å; R174-F176 HydrophobicContact CG-CD2 4.39Å; R174-F176 HydrophobicContact CG-CE1 4.15Å; R174-F176 HydrophobicContact CG-CE2 3.78Å; R174-F176 HydrophobicContact CG-CZ 3.64Å; R174-V183 HydrophobicContact CG-CG1 3.3Å; R174-A184 WeakPolarHBondContact CA-O 3.35Å; R174-D185 WeakPolarHBondContact CB-OD1 3.38Å; R174-D185 WeakPolarHBondContact CG-OD1 3.44Å; R174-D185 IonicContact CZ-OD1 3.5Å; R174-D185 IonicContact CZ-OD2 3.68Å; R174-D185 IonicContact NE-OD1 2.74Å; R174-D185 PolarHBondContact NE-OD1 2.86Å; R174-D185 IonicContact NE-OD2 3.7Å; R174-D185 IonicContact NH2-OD1 3.39Å; R174-D185 PolarHBondContact NH2-OD1 2.82Å; R174-D185 IonicContact NH2-OD2 2.8Å; R174-D185 PolarHBondContact NH2-OD2 2.86Å; R174-H204 CarbonylContact O-C 3.07Å; R174-H204 WeakPolarHBondContact O-CA 3.35Å; R174-H204 WeakPolarHBondContact O-CB 3.22Å; R174-E205 HydrophobicContact CB-CG 3.9Å; R174-E205 HydrophobicContact CG-CG 4.46Å; R174-E205 PolarHBondContact N-O 2.8Å; R174-E205 PolarHBondContact O-N 3.44Å; R174-Q207 VanDerWaalsContact NH1-NE2 3.16Å; R174-Q207 VanDerWaalsContact NH2-NE2 3.18Å
175I98.6Very high96.5Very high0 Ų062.2 Ų62.20%033%0.334CS..EExtended strand (participates in β ladder)trans-103.9138.6177.3-53.9173.1000108.7F36 L173 P177 V183 A184 I186 L194 N202 H204F36-I175 HydrophobicContact CB-CD1 4.32Å; F36-I175 HydrophobicContact CD1-CD1 4.47Å; F36-I175 HydrophobicContact CD2-CD1 4.5Å; F36-I175 HydrophobicContact CG-CD1 4.18Å; L173-I175 HydrophobicContact CD2-CD1 4.2Å; L173-I175 HydrophobicContact CD2-CG1 4.14Å; L173-I175 HydrophobicContact CG-CG1 4.38Å; I175-P177 HydrophobicContact CG2-CG 4.13Å; I175-P177 WeakPolarHBondContact O-CD 3.48Å; I175-V183 WeakPolarHBondContact O-CG1 3.34Å; I175-A184 HydrophobicContact CB-CB 4.35Å; I175-A184 PolarHBondContact N-O 3.34Å; I175-A184 PolarHBondContact O-N 3.28Å; I175-I186 HydrophobicContact CD1-CG1 4.1Å; I175-L194 HydrophobicContact CD1-CD2 4.47Å; I175-N202 HydrophobicContact CG2-CB 3.93Å; I175-H204 HydrophobicContact CB-CB 4.42Å; I175-H204 HydrophobicContact CG1-CB 4.01Å
176F98Very high96.5Very high47 Ų4760.1 Ų60.121%0.20632%0.323CS..  trans-116.276.3178.8-56.8-94.2000110K142 R174 E178 V183 P203 E205K142-F176 HydrophobicContact CD-CD2 3.82Å; K142-F176 HydrophobicContact CD-CE2 3.67Å; K142-F176 HydrophobicContact CD-CG 4.49Å; K142-F176 HydrophobicContact CD-CZ 4.25Å; K142-F176 HydrophobicContact CG-CD2 4.24Å; K142-F176 HydrophobicContact CG-CE2 4.1Å; K142-F176 VanDerWaalsContact NZ-CG 3.29Å; R174-F176 VanDerWaalsContact CD-CZ 3.48Å; R174-F176 HydrophobicContact CG-CD2 4.39Å; R174-F176 HydrophobicContact CG-CE1 4.15Å; R174-F176 HydrophobicContact CG-CE2 3.78Å; R174-F176 HydrophobicContact CG-CZ 3.64Å; F176-E178 PolarHBondContact O-N 2.81Å; F176-V183 HydrophobicContact CD1-CG1 4.18Å; F176-V183 HydrophobicContact CD1-CG2 3.72Å; F176-V183 HydrophobicContact CE1-CG1 4.17Å; F176-V183 HydrophobicContact CE1-CG2 4.07Å; F176-P203 WeakPolarHBondContact CD2-O 3.47Å; F176-P203 PolarHBondContact N-O 3.26Å; F176-P203 WeakPolarHBondContact O-CD 3.47Å; F176-E205 HydrophobicContact CE2-CG 3.92Å; F176-E205 HydrophobicContact CZ-CG 4.36Å
177P96.1Very high96.7Very high8 Ų863.2 Ų63.25%0.05233%0.333CS..  trans-58.6129.3-172.3-22.934.4000112.2F36 I175 G179 K180 Y182 R201F36-P177 HydrophobicContact CD1-CG 4.47Å; F36-P177 HydrophobicContact CE1-CG 4.07Å; I175-P177 HydrophobicContact CG2-CG 4.13Å; I175-P177 WeakPolarHBondContact O-CD 3.48Å; P177-G179 PolarHBondContact O-N 3.5Å; P177-K180 HydrophobicContact CB-CB 4.05Å; P177-K180 HydrophobicContact CB-CG 3.73Å; P177-K180 PolarHBondContact O-N 3.47Å; P177-K180 VanDerWaalsContact O-N 3.15Å; P177-Y182 HydrophobicContact CG-CD2 4.5Å; P177-Y182 HydrophobicContact CG-CE2 3.79Å; P177-R201 WeakPolarHBondContact CA-O 3.22Å
178E93.5Very high96.8Very high130 Ų13053.8 Ų53.861%0.60729%0.292SS*.THydrogen-bonded Turntrans-61.2134.4-176.6-171174.2-152.100111.1F176 K180 R201F176-E178 PolarHBondContact O-N 2.81Å; E178-K180 PolarHBondContact O-N 2.96Å; E178-R201 PolarHBondContact N-O 3.31Å
179G91.6Very high96.8Very high83 Ų8349.9 Ų49.986%0.85628%0.275SS*.THydrogen-bonded Turntrans709.5-17900000114.9P177P177-G179 PolarHBondContact O-N 3.5Å
180K91.4Very high96.8Very high107 Ų10749.4 Ų49.447%0.46527%0.272SS..  trans-106.4145.3173-54.5-59.3-174.91760110.6P177 E178 Y182P177-K180 HydrophobicContact CB-CB 4.05Å; P177-K180 HydrophobicContact CB-CG 3.73Å; P177-K180 PolarHBondContact O-N 3.47Å; P177-K180 VanDerWaalsContact O-N 3.15Å; E178-K180 PolarHBondContact O-N 2.96Å; K180-Y182 VanDerWaalsContact C-N 3.3Å; K180-Y182 HydrophobicContact CB-CD1 3.85Å; K180-Y182 HydrophobicContact CB-CE1 3.67Å; K180-Y182 HydrophobicContact CB-CG 4.47Å; K180-Y182 HydrophobicContact CD-CE1 4.1Å; K180-Y182 HydrophobicContact CG-CD1 4.5Å; K180-Y182 HydrophobicContact CG-CE1 3.82Å
181S91.9Very high96.9Very high133 Ų13349.1 Ų49.193%0.9327%0.268SS*.SBendtrans-80.1-12.717754.60000113.6
182Y93.3Very high96.9Very high83 Ų8349.7 Ų49.733%0.32527%0.27SS..  trans-99.6158.5-178.469.3-97000111.8F36 P177 K180 A184F36-Y182 HydrophobicContact CE1-CE2 4.22Å; P177-Y182 HydrophobicContact CG-CD2 4.5Å; P177-Y182 HydrophobicContact CG-CE2 3.79Å; K180-Y182 VanDerWaalsContact C-N 3.3Å; K180-Y182 HydrophobicContact CB-CD1 3.85Å; K180-Y182 HydrophobicContact CB-CE1 3.67Å; K180-Y182 HydrophobicContact CB-CG 4.47Å; K180-Y182 HydrophobicContact CD-CE1 4.1Å; K180-Y182 HydrophobicContact CG-CD1 4.5Å; K180-Y182 HydrophobicContact CG-CE1 3.82Å; Y182-A184 HydrophobicContact CE2-CB 4.43Å
183V96.6Very high96.9Very high71 Ų7149.2 Ų49.243%0.4327%0.267SS..  trans-113.9140.8169.41750000107.5R174 I175 F176R174-V183 HydrophobicContact CG-CG1 3.3Å; I175-V183 WeakPolarHBondContact O-CG1 3.34Å; F176-V183 HydrophobicContact CD1-CG1 4.18Å; F176-V183 HydrophobicContact CD1-CG2 3.72Å; F176-V183 HydrophobicContact CE1-CG1 4.17Å; F176-V183 HydrophobicContact CE1-CG2 4.07Å
184A97.9Very high96.9Very high10 Ų1049.1 Ų49.18%0.08327%0.267CS..EExtended strand (participates in β ladder)trans-109.4118.8-179.300000111F36 R174 I175 Y182F36-A184 HydrophobicContact CE1-CB 3.71Å; F36-A184 HydrophobicContact CE2-CB 4.07Å; F36-A184 HydrophobicContact CZ-CB 3.32Å; R174-A184 WeakPolarHBondContact CA-O 3.35Å; I175-A184 HydrophobicContact CB-CB 4.35Å; I175-A184 PolarHBondContact N-O 3.34Å; I175-A184 PolarHBondContact O-N 3.28Å; Y182-A184 HydrophobicContact CE2-CB 4.43Å
185D98.5Very high96.9Very high80 Ų8045.7 Ų45.743%0.42825%0.254SS..EExtended strand (participates in β ladder)trans-99.9111.3178.2-81-6.9000110.6V172 R174V172-D185 HydrophobicContact CG1-CB 3.67Å; R174-D185 WeakPolarHBondContact CB-OD1 3.38Å; R174-D185 WeakPolarHBondContact CG-OD1 3.44Å; R174-D185 IonicContact CZ-OD1 3.5Å; R174-D185 IonicContact CZ-OD2 3.68Å; R174-D185 IonicContact NE-OD1 2.74Å; R174-D185 PolarHBondContact NE-OD1 2.86Å; R174-D185 IonicContact NE-OD2 3.7Å; R174-D185 IonicContact NH2-OD1 3.39Å; R174-D185 PolarHBondContact NH2-OD1 2.82Å; R174-D185 IonicContact NH2-OD2 2.8Å; R174-D185 PolarHBondContact NH2-OD2 2.86Å
186I98.6Very high96.9Very high4 Ų445.7 Ų45.72%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-103111.3-179.6-45.9-56.8000109.5F36 Y38 Y159 L173 I175 L194F36-I186 HydrophobicContact CD2-CD1 4.34Å; F36-I186 HydrophobicContact CE2-CD1 3.97Å; Y38-I186 HydrophobicContact CD1-CD1 3.97Å; Y38-I186 HydrophobicContact CE1-CD1 4.21Å; Y159-I186 HydrophobicContact CE2-CG2 4.24Å; L173-I186 HydrophobicContact CB-CB 4.32Å; L173-I186 PolarHBondContact N-O 2.83Å; L173-I186 PolarHBondContact O-N 2.85Å; I175-I186 HydrophobicContact CD1-CG1 4.1Å; I186-L194 HydrophobicContact CG1-CD1 4.28Å; I186-L194 HydrophobicContact CG1-CD2 4.45Å; I186-L194 HydrophobicContact CG2-CD1 4.36Å; I186-L194 HydrophobicContact CG2-CD2 4.25Å
187K98.7Very high96.8Very high100 Ų10044 Ų4444%0.43525%0.246SC..  trans-68.7135.6173-58.6173.1-171.5177.80109.4P166 L189 R192P166-K187 HydrophobicContact CB-CG 4.36Å; P166-K187 HydrophobicContact CG-CD 3.92Å; P166-K187 HydrophobicContact CG-CG 4.14Å; K187-L189 HydrophobicContact CB-CD1 4.37Å; K187-L189 HydrophobicContact CB-CD2 3.68Å; K187-L189 HydrophobicContact CB-CG 3.74Å; K187-L189 HydrophobicContact CD-CD2 4.31Å; K187-L189 PolarHBondContact O-N 3.25Å; K187-R192 WeakPolarHBondContact O-CD 3.49Å; K187-R192 PolarHBondContact O-NH1 3.1Å
188P98.7Very high96.9Very high0 Ų043.7 Ų43.70%024%0.244CC..  trans-81.855-17937.3-39.4000111.2Y159 N161 W164 R213Y159-P188 HydrophobicContact CD1-CB 3.44Å; Y159-P188 VanDerWaalsContact CD1-CB 3.44Å; Y159-P188 HydrophobicContact CE1-CB 3.71Å; Y159-P188 HydrophobicContact CG-CB 3.95Å; N161-P188 WeakPolarHBondContact CB-O 3.2Å; N161-P188 PolarHBondContact ND2-O 2.9Å; W164-P188 HydrophobicContact CD2-CG 4.04Å; W164-P188 HydrophobicContact CG-CG 4.13Å; W164-P188 HydrophobicContact CZ2-CG 4.17Å; P188-R213 HydrophobicContact CB-CG 4.34Å; P188-R213 HydrophobicContact CG-CG 4.34Å
189L98.9Very high97Very high47 Ų4739.8 Ų39.825%0.24623%0.227CC..BIsolated β-bridgetrans-68.3148-173.5-55.1-176.4000111.7Y159 W164 K187 D191 R192Y159-L189 WeakPolarHBondContact CB-O 3.32Å; W164-L189 HydrophobicContact CB-CD2 4.21Å; K187-L189 HydrophobicContact CB-CD1 4.37Å; K187-L189 HydrophobicContact CB-CD2 3.68Å; K187-L189 HydrophobicContact CB-CG 3.74Å; K187-L189 HydrophobicContact CD-CD2 4.31Å; K187-L189 PolarHBondContact O-N 3.25Å; L189-D191 PolarHBondContact O-N 2.75Å; L189-R192 HydrophobicContact CB-CB 4.42Å; L189-R192 WeakPolarHBondContact O-CB 3.01Å; L189-R192 PolarHBondContact O-N 3.24Å
190F98.9Very high97.3Very high38 Ų3843 Ų4317%0.16721%0.214CC..THydrogen-bonded Turntrans-52.6138.4170.6176.9-102.8000112.3G48 L52 N161 K162 R192G48-F190 VanDerWaalsContact C-CZ 3.45Å; L52-F190 HydrophobicContact CD2-CE2 4.5Å; N161-F190 WeakPolarHBondContact O-CB 3.28Å; N161-F190 PolarHBondContact O-N 3.43Å; K162-F190 HydrophobicContact CD-CD2 4.48Å; K162-F190 HydrophobicContact CD-CE2 4.47Å; K162-F190 HydrophobicContact CG-CB 4.07Å; K162-F190 HydrophobicContact CG-CD1 4.26Å; K162-F190 HydrophobicContact CG-CD2 3.59Å; K162-F190 HydrophobicContact CG-CE2 4.04Å; K162-F190 HydrophobicContact CG-CG 3.72Å; F190-R192 PolarHBondContact O-N 2.55Å
191D98.6Very high97.5Very high5 Ų542.1 Ų42.13%0.02721%0.207CC..THydrogen-bonded Turntrans60.327.4177.9-161.827.8000114.8G41 L42 L43 G44 Y158 Y159 L189G41-D191 WeakPolarHBondContact CA-OD2 3.47Å; G41-D191 PolarHBondContact N-O 3.02Å; L42-D191 PolarHBondContact N-O 3.31Å; L42-D191 PolarHBondContact N-OD1 3.45Å; L42-D191 PolarHBondContact N-OD2 2.95Å; L42-D191 VanDerWaalsContact N-OD2 3.15Å; L43-D191 WeakPolarHBondContact CB-OD1 3.32Å; L43-D191 PolarHBondContact N-OD1 3.39Å; L43-D191 PolarHBondContact N-OD2 2.85Å; G44-D191 WeakPolarHBondContact CA-OD2 3.48Å; G44-D191 PolarHBondContact N-OD2 3.19Å; Y158-D191 VanDerWaalsContact CE2-OD1 3.27Å; Y158-D191 WeakPolarHBondContact CE2-OD1 3.38Å; Y158-D191 VanDerWaalsContact CZ-OD1 3.3Å; Y158-D191 WeakPolarHBondContact OH-CA 3.44Å; Y158-D191 PolarHBondContact OH-OD1 3.1Å; Y159-D191 PolarHBondContact O-N 3.04Å; L189-D191 PolarHBondContact O-N 2.75Å
192R98.8Very high97.8Very high13 Ų1335.8 Ų35.85%0.04916%0.163CC..EExtended strand (participates in β ladder)trans-96.6124.9171.4176175.8-70.8-155.1-17.5110.8Y38 V39 D40 Y158 Y159 K187 L189 F190Y38-R192 HydrophobicContact CD2-CG 4.45Å; V39-R192 CarbonylContact O-C 3.55Å; V39-R192 VanDerWaalsContact O-CA 3.31Å; V39-R192 WeakPolarHBondContact O-CA 3.25Å; D40-R192 VanDerWaalsContact CG-NH2 3.27Å; D40-R192 WeakPolarHBondContact OD1-CB 3.43Å; D40-R192 IonicContact OD1-CZ 3.09Å; D40-R192 IonicContact OD1-NE 3.75Å; D40-R192 PolarHBondContact OD1-NE 2.61Å; D40-R192 IonicContact OD1-NH2 3.78Å; D40-R192 PolarHBondContact OD1-NH2 3.1Å; D40-R192 IonicContact OD2-CZ 2.93Å; D40-R192 IonicContact OD2-NE 3.93Å; D40-R192 IonicContact OD2-NH2 3.6Å; D40-R192 PolarHBondContact OD2-NH2 2.97Å; Y158-R192 CarbonylContact C-O 3.57Å; Y158-R192 WeakPolarHBondContact CA-O 3.41Å; Y159-R192 HydrophobicContact CD2-CB 4.02Å; Y159-R192 HydrophobicContact CD2-CG 3.92Å; Y159-R192 HydrophobicContact CE2-CG 4.5Å; Y159-R192 PolarHBondContact N-O 3.32Å; K187-R192 WeakPolarHBondContact O-CD 3.49Å; K187-R192 PolarHBondContact O-NH1 3.1Å; L189-R192 HydrophobicContact CB-CB 4.42Å; L189-R192 WeakPolarHBondContact O-CB 3.01Å; L189-R192 PolarHBondContact O-N 3.24Å; F190-R192 PolarHBondContact O-N 2.55Å
193L98.8Very high98Very high1 Ų133.1 Ų33.11%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-97.4125.5163.3177.466.4000109.8Y38 V39 L42 I106 L109 C156 I157 Y158 I195Y38-L193 CarbonylContact C-O 3.55Å; Y38-L193 WeakPolarHBondContact CA-O 3.44Å; Y38-L193 WeakPolarHBondContact CB-O 3.49Å; V39-L193 PolarHBondContact N-O 3.41Å; V39-L193 PolarHBondContact O-N 3.48Å; L42-L193 HydrophobicContact CD2-CB 3.86Å; L42-L193 HydrophobicContact CD2-CD2 3.79Å; L42-L193 HydrophobicContact CD2-CG 4.33Å; I106-L193 HydrophobicContact CD1-CD1 3.91Å; I106-L193 HydrophobicContact CG1-CD1 4.24Å; I106-L193 HydrophobicContact CG1-CD2 4.31Å; L109-L193 HydrophobicContact CD2-CD2 3.76Å; C156-L193 HydrophobicContact CB-CD1 4.29Å; I157-L193 CarbonylContact O-C 3.51Å; I157-L193 WeakPolarHBondContact O-CA 3.48Å; Y158-L193 HydrophobicContact CD2-CB 4.34Å; L193-I195 HydrophobicContact CD1-CG1 4.47Å; L193-I195 HydrophobicContact CD2-CD1 3.99Å; L193-I195 HydrophobicContact CD2-CG1 4.21Å; L193-I195 HydrophobicContact CG-CD1 4.39Å; L193-I195 HydrophobicContact CG-CG1 4.06Å
194L98.8Very high98.1Very high0 Ų030.1 Ų30.10%014%0.137CC..EExtended strand (participates in β ladder)trans-108.7136.5170.2171.171.2000109.2F36 C156 I157 Y159 L173 I175 I186 F196F36-L194 HydrophobicContact CD2-CD1 4.41Å; C156-L194 CarbonylContact C-O 3.44Å; C156-L194 VanDerWaalsContact CA-O 3.3Å; C156-L194 WeakPolarHBondContact CA-O 3.28Å; I157-L194 HydrophobicContact CB-CB 4.44Å; I157-L194 HydrophobicContact CD1-CD2 4.43Å; I157-L194 PolarHBondContact N-O 3.39Å; I157-L194 PolarHBondContact O-N 2.93Å; Y159-L194 HydrophobicContact CE2-CB 3.99Å; Y159-L194 HydrophobicContact CE2-CD2 4.35Å; L173-L194 HydrophobicContact CD2-CD2 3.23Å; I175-L194 HydrophobicContact CD1-CD2 4.47Å; I186-L194 HydrophobicContact CG1-CD1 4.28Å; I186-L194 HydrophobicContact CG1-CD2 4.45Å; I186-L194 HydrophobicContact CG2-CD1 4.36Å; I186-L194 HydrophobicContact CG2-CD2 4.25Å; L194-F196 HydrophobicContact CD2-CD1 3.93Å; L194-F196 HydrophobicContact CD2-CE1 4.02Å; L194-F196 HydrophobicContact CG-CD1 3.97Å; L194-F196 HydrophobicContact CG-CE1 4.46Å
195I98.4Very high98.2Very high0 Ų031.9 Ų31.90%014%0.144CC..EExtended strand (participates in β ladder)trans-130132.1175.2-51.6176.2000108.7L27 L31 F36 C37 L109 I110 L154 T155 L193L27-I195 HydrophobicContact CD1-CD1 3.98Å; L27-I195 HydrophobicContact CD2-CD1 4.02Å; L31-I195 HydrophobicContact CD1-CG2 4.25Å; L31-I195 HydrophobicContact CD2-CG2 4.25Å; F36-I195 CarbonylContact C-O 3.53Å; F36-I195 VanDerWaalsContact CA-O 3.22Å; F36-I195 WeakPolarHBondContact CA-O 3.43Å; C37-I195 PolarHBondContact N-O 3.1Å; C37-I195 PolarHBondContact O-N 2.89Å; L109-I195 HydrophobicContact CD2-CD1 4.39Å; I110-I195 HydrophobicContact CD1-CD1 4.01Å; I110-I195 HydrophobicContact CD1-CG2 4.44Å; L154-I195 HydrophobicContact CD2-CG2 4.3Å; T155-I195 VanDerWaalsContact O-CA 3.31Å; T155-I195 WeakPolarHBondContact O-CA 3.3Å; L193-I195 HydrophobicContact CD1-CG1 4.47Å; L193-I195 HydrophobicContact CD2-CD1 3.99Å; L193-I195 HydrophobicContact CD2-CG1 4.21Å; L193-I195 HydrophobicContact CG-CD1 4.39Å; L193-I195 HydrophobicContact CG-CG1 4.06Å
196F98.1Very high98.2Very high0 Ų028.6 Ų28.60%013%0.127CC..EExtended strand (participates in β ladder)trans-149.7159.5175.762.8-87.2000112.1F36 T155 I157 L194 S198 N202 H204F36-F196 HydrophobicContact CB-CB 3.52Å; T155-F196 VanDerWaalsContact CB-CZ 3.45Å; T155-F196 HydrophobicContact CG2-CD1 4.46Å; T155-F196 HydrophobicContact CG2-CE1 3.61Å; T155-F196 HydrophobicContact CG2-CE2 4.18Å; T155-F196 HydrophobicContact CG2-CZ 3.44Å; T155-F196 VanDerWaalsContact CG2-CZ 3.44Å; T155-F196 PolarHBondContact N-O 3.16Å; T155-F196 PolarHBondContact O-N 2.82Å; I157-F196 HydrophobicContact CD1-CE1 3.82Å; I157-F196 HydrophobicContact CD1-CZ 4.35Å; I157-F196 HydrophobicContact CG1-CE1 4.24Å; L194-F196 HydrophobicContact CD2-CD1 3.93Å; L194-F196 HydrophobicContact CD2-CE1 4.02Å; L194-F196 HydrophobicContact CG-CD1 3.97Å; L194-F196 HydrophobicContact CG-CE1 4.46Å; F196-S198 PolarHBondContact O-N 2.81Å; F196-N202 HydrophobicContact CD2-CB 3.84Å; F196-H204 AromaticContact CE2-CE1 3.51Å; F196-H204 AromaticContact CE2-ND1 3.66Å; F196-H204 AromaticContact CZ-CE1 3.64Å; F196-H204 AromaticContact CZ-ND1 3.98Å; F196-H204 AromaticContact CZ-NE2 3.91Å
197W97.1Very high98.1Very high11 Ų1130.6 Ų30.64%0.04214%0.136CC..EExtended strand (participates in β ladder)trans-64.5126.5173-56.1113.8000110.8L31 G35 L117 R153 L154 D199 R201 N202L31-W197 HydrophobicContact CB-CZ2 3.95Å; L31-W197 PolarHBondContact O-NE1 3.19Å; G35-W197 VanDerWaalsContact O-CD1 3.26Å; G35-W197 PolarHBondContact O-N 3.3Å; L117-W197 HydrophobicContact CD1-CH2 4.21Å; R153-W197 HydrophobicContact CG-CE3 4.38Å; R153-W197 HydrophobicContact CG-CZ3 4.24Å; R153-W197 WeakPolarHBondContact O-CA 3.46Å; L154-W197 HydrophobicContact CD2-CD2 4.11Å; L154-W197 HydrophobicContact CD2-CE3 3.43Å; L154-W197 VanDerWaalsContact CD2-CE3 3.43Å; L154-W197 HydrophobicContact CD2-CH2 4.26Å; L154-W197 HydrophobicContact CD2-CZ3 3.52Å; L154-W197 HydrophobicContact CG-CE3 4.39Å; L154-W197 HydrophobicContact CG-CZ3 4.28Å; W197-D199 VanDerWaalsContact C-N 3.26Å; W197-D199 PolarHBondContact O-N 2.72Å; W197-R201 HydrophobicContact CB-CB 4.48Å; W197-R201 VanDerWaalsContact CE2-NH1 3.32Å; W197-N202 WeakPolarHBondContact CB-ND2 3.38Å; W197-N202 PolarHBondContact N-ND2 3Å; W197-N202 VanDerWaalsContact N-ND2 3.19Å; W197-N202 PolarHBondContact O-ND2 2.97Å
198S97.4Very high98.1Very high1 Ų128.8 Ų28.81%0.00713%0.134CC..SBendtrans-72.4-17.1-175.7-54.90000113.9D145 N146 R152 R153 L154 T155 F196D145-S198 WeakPolarHBondContact CB-O 3.41Å; D145-S198 PolarHBondContact N-O 3.03Å; N146-S198 PolarHBondContact N-O 2.9Å; R152-S198 WeakPolarHBondContact O-CB 3.27Å; R153-S198 PolarHBondContact O-N 2.91Å; R153-S198 PolarHBondContact O-OG 3.36Å; L154-S198 WeakPolarHBondContact CA-OG 3.25Å; L154-S198 PolarHBondContact N-OG 2.87Å; T155-S198 PolarHBondContact N-OG 3.27Å; T155-S198 WeakPolarHBondContact OG1-CB 3.31Å; T155-S198 PolarHBondContact OG1-OG 3.43Å; F196-S198 PolarHBondContact O-N 2.81Å
199D96.6Very high98Very high49 Ų4928.8 Ų28.826%0.26213%0.134SC..SBendtrans-81.1-168.6-175.570.221.9000113.2V144 W197 R201 N202V144-D199 VanDerWaalsContact CG1-C 3.48Å; W197-D199 VanDerWaalsContact C-N 3.26Å; W197-D199 PolarHBondContact O-N 2.72Å; D199-R201 VanDerWaalsContact CG-NE 3.29Å; D199-R201 PolarHBondContact O-N 2.89Å; D199-R201 VanDerWaalsContact OD1-CB 3.25Å; D199-R201 WeakPolarHBondContact OD1-CB 3.4Å; D199-R201 VanDerWaalsContact OD1-CG 3.27Å; D199-R201 WeakPolarHBondContact OD1-CG 3.29Å; D199-R201 IonicContact OD1-CZ 2.8Å; D199-R201 PolarHBondContact OD1-N 2.86Å; D199-R201 IonicContact OD1-NE 3.98Å; D199-R201 PolarHBondContact OD1-NE 2.76Å; D199-R201 IonicContact OD1-NH2 3.81Å; D199-R201 IonicContact OD2-CZ 2.75Å; D199-R201 VanDerWaalsContact OD2-CZ 3.23Å; D199-R201 IonicContact OD2-NE 3.37Å; D199-R201 PolarHBondContact OD2-NE 3.15Å; D199-R201 IonicContact OD2-NH2 3.04Å; D199-R201 PolarHBondContact OD2-NH2 3.18Å; D199-N202 PolarHBondContact O-N 2.8Å; D199-N202 VanDerWaalsContact O-N 3.13Å
200R96.8Very high98Very high149 Ų14933.6 Ų33.656%0.56215%0.15SC*.THydrogen-bonded Turntrans-61.2-8.5-175.1-63.5-173.5-177-171.3-0.7114.8V144 P147 N202 P203V144-R200 HydrophobicContact CG1-CG 4.21Å; P147-R200 PolarHBondContact O-NE 2.9Å; P147-R200 PolarHBondContact O-NH2 2.55Å; P147-R200 VanDerWaalsContact O-NH2 3.12Å; R200-N202 PolarHBondContact O-N 3.36Å; R200-P203 VanDerWaalsContact O-CD 3.27Å; R200-P203 WeakPolarHBondContact O-CD 3.49Å
201R96.6Very high97.9Very high89 Ų8933.8 Ų33.834%0.33616%0.156SC..THydrogen-bonded Turntrans-62.4-28.2171.5-70.5173.9-77.5176.6-4.5112.6P177 E178 W197 D199P177-R201 WeakPolarHBondContact CA-O 3.22Å; E178-R201 PolarHBondContact N-O 3.31Å; W197-R201 HydrophobicContact CB-CB 4.48Å; W197-R201 VanDerWaalsContact CE2-NH1 3.32Å; D199-R201 VanDerWaalsContact CG-NE 3.29Å; D199-R201 PolarHBondContact O-N 2.89Å; D199-R201 VanDerWaalsContact OD1-CB 3.25Å; D199-R201 WeakPolarHBondContact OD1-CB 3.4Å; D199-R201 VanDerWaalsContact OD1-CG 3.27Å; D199-R201 WeakPolarHBondContact OD1-CG 3.29Å; D199-R201 IonicContact OD1-CZ 2.8Å; D199-R201 PolarHBondContact OD1-N 2.86Å; D199-R201 IonicContact OD1-NE 3.98Å; D199-R201 PolarHBondContact OD1-NE 2.76Å; D199-R201 IonicContact OD1-NH2 3.81Å; D199-R201 IonicContact OD2-CZ 2.75Å; D199-R201 VanDerWaalsContact OD2-CZ 3.23Å; D199-R201 IonicContact OD2-NE 3.37Å; D199-R201 PolarHBondContact OD2-NE 3.15Å; D199-R201 IonicContact OD2-NH2 3.04Å; D199-R201 PolarHBondContact OD2-NH2 3.18Å
202N97.9Very high97.9Very high1 Ų136.2 Ų36.21%0.00517%0.172CC..  trans-131.267.8-175.6-63.7-59.3000114.1G35 I175 F196 W197 D199 R200 H204G35-N202 PolarHBondContact O-ND2 3.43Å; I175-N202 HydrophobicContact CG2-CB 3.93Å; F196-N202 HydrophobicContact CD2-CB 3.84Å; W197-N202 WeakPolarHBondContact CB-ND2 3.38Å; W197-N202 PolarHBondContact N-ND2 3Å; W197-N202 VanDerWaalsContact N-ND2 3.19Å; W197-N202 PolarHBondContact O-ND2 2.97Å; D199-N202 PolarHBondContact O-N 2.8Å; D199-N202 VanDerWaalsContact O-N 3.13Å; R200-N202 PolarHBondContact O-N 3.36Å; N202-H204 PolarHBondContact O-N 2.89Å; N202-H204 PolarHBondContact O-ND1 3.13Å
203P98.3Very high97.9Very high27 Ų2735.9 Ų35.918%0.17517%0.17CC..  trans-56.2134.9162.5-18.831.3000109.8H143 V144 F176 R200H143-P203 CarbonylContact O-C 3.5Å; H143-P203 VanDerWaalsContact O-CA 3.27Å; H143-P203 WeakPolarHBondContact O-CA 3.49Å; V144-P203 HydrophobicContact CG2-CB 4.09Å; V144-P203 HydrophobicContact CG2-CG 4Å; F176-P203 WeakPolarHBondContact CD2-O 3.47Å; F176-P203 PolarHBondContact N-O 3.26Å; F176-P203 WeakPolarHBondContact O-CD 3.47Å; R200-P203 VanDerWaalsContact O-CD 3.27Å; R200-P203 WeakPolarHBondContact O-CD 3.49Å
204H98.7Very high97.9Very high7 Ų737.1 Ų37.13%0.03218%0.175CC..EExtended strand (participates in β ladder)trans-150.5157-175.459.7-87.4000112.6K142 H143 D145 L173 R174 I175 F196 N202K142-H204 CarbonylContact C-O 3.55Å; K142-H204 VanDerWaalsContact CA-O 3.29Å; K142-H204 WeakPolarHBondContact CA-O 3.29Å; H143-H204 AromaticContact CD2-NE2 3.97Å; H143-H204 AromaticContact CE1-CD2 3.74Å; H143-H204 AromaticContact CE1-NE2 3.57Å; H143-H204 PolarHBondContact N-O 3.3Å; H143-H204 PolarHBondContact ND1-O 3.42Å; H143-H204 AromaticContact NE2-CD2 3.94Å; H143-H204 AromaticContact NE2-CE1 3.98Å; H143-H204 AromaticContact NE2-NE2 3.28Å; H143-H204 PolarHBondContact NE2-NE2 2.89Å; H143-H204 PolarHBondContact O-N 2.91Å; D145-H204 IonicContact OD2-CE1 2.64Å; L173-H204 HydrophobicContact CD1-CB 4.37Å; R174-H204 CarbonylContact O-C 3.07Å; R174-H204 WeakPolarHBondContact O-CA 3.35Å; R174-H204 WeakPolarHBondContact O-CB 3.22Å; I175-H204 HydrophobicContact CB-CB 4.42Å; I175-H204 HydrophobicContact CG1-CB 4.01Å; F196-H204 AromaticContact CE2-CE1 3.51Å; F196-H204 AromaticContact CE2-ND1 3.66Å; F196-H204 AromaticContact CZ-CE1 3.64Å; F196-H204 AromaticContact CZ-ND1 3.98Å; F196-H204 AromaticContact CZ-NE2 3.91Å; N202-H204 PolarHBondContact O-N 2.89Å; N202-H204 PolarHBondContact O-ND1 3.13Å
205E98.4Very high97.9Very high48 Ų4837.3 Ų37.322%0.22418%0.176CC..EExtended strand (participates in β ladder)trans-134.8151.7177.268.9-170.4-169.600110.5Y140 K142 L173 R174 F176Y140-E205 CarbonylContact O-C 3.53Å; Y140-E205 WeakPolarHBondContact O-CA 3.46Å; Y140-E205 WeakPolarHBondContact O-CB 3.4Å; K142-E205 HydrophobicContact CB-CB 4.07Å; L173-E205 CarbonylContact C-O 3.46Å; L173-E205 WeakPolarHBondContact CA-O 3.27Å; R174-E205 HydrophobicContact CB-CG 3.9Å; R174-E205 HydrophobicContact CG-CG 4.46Å; R174-E205 PolarHBondContact N-O 2.8Å; R174-E205 PolarHBondContact O-N 3.44Å; F176-E205 HydrophobicContact CE2-CG 3.92Å; F176-E205 HydrophobicContact CZ-CG 4.36Å
206V98.4Very high98Very high11 Ų1137.5 Ų37.57%0.06718%0.178CC..EExtended strand (participates in β ladder)trans-99.5112.1166.5-179.70000107.1Y133 G139 Y140 L173Y133-V206 HydrophobicContact CD1-CG1 4.36Å; Y133-V206 HydrophobicContact CE1-CB 4.28Å; Y133-V206 HydrophobicContact CE1-CG1 3.99Å; G139-V206 WeakPolarHBondContact CA-O 3.31Å; Y140-V206 PolarHBondContact N-O 3.07Å; Y140-V206 PolarHBondContact O-N 2.78Å; L173-V206 HydrophobicContact CD1-CG2 3.76Å
207Q98.3Very high98Very high46 Ų4638 Ų3822%0.21518%0.18CC..EExtended strand (participates in β ladder)trans-61.2156.4175.5-67.5-171.3-19.400111.3G171 V172 R174 S209G171-Q207 WeakPolarHBondContact CA-O 3.36Å; V172-Q207 WeakPolarHBondContact O-CB 3.13Å; V172-Q207 PolarHBondContact O-N 3.32Å; R174-Q207 VanDerWaalsContact NH1-NE2 3.16Å; R174-Q207 VanDerWaalsContact NH2-NE2 3.18Å; Q207-S209 PolarHBondContact O-N 2.84Å
208P97.8Very high98.1Very high61 Ų6137.5 Ų37.540%0.39618%0.179SC..EExtended strand (participates in β ladder)trans-47.8125.5177.7-30.537000112.6G171 Y210G171-P208 PolarHBondContact N-O 3.39Å; P208-Y210 HydrophobicContact CB-CE2 4.08Å
209S97.2Very high98.1Very high0 Ų038.4 Ų38.40%018%0.182CC..EExtended strand (participates in β ladder)trans-96.6131.1174.2-164.50000109.5G135 N136 G137 A138 W164 Q207 S211 R213G135-S209 CarbonylContact C-O 3.54Å; G135-S209 VanDerWaalsContact CA-O 3.23Å; G135-S209 WeakPolarHBondContact CA-O 3.36Å; N136-S209 PolarHBondContact N-O 2.86Å; G137-S209 WeakPolarHBondContact CA-O 3.47Å; G137-S209 PolarHBondContact N-O 2.97Å; A138-S209 PolarHBondContact N-O 2.65Å; A138-S209 WeakPolarHBondContact O-CB 3.4Å; A138-S209 PolarHBondContact O-N 2.92Å; W164-S209 WeakPolarHBondContact CH2-OG 3.08Å; Q207-S209 PolarHBondContact O-N 2.84Å; S209-S211 PolarHBondContact OG-O 3.06Å; S209-R213 WeakPolarHBondContact OG-CB 3.45Å
210Y97.9Very high98.1Very high148 Ų14836.5 Ų36.558%0.5817%0.171SC*.SBendtrans-109.30.5178.3-59-75.2000112.9H169 P208H169-Y210 PolarHBondContact O-N 3.32Å; P208-Y210 HydrophobicContact CB-CE2 4.08Å
211S98.1Very high98Very high43 Ų4330.3 Ų30.330%0.30115%0.148SC..SBendtrans-129.8165.4168.7-169.30000109.9S209 R213S209-S211 PolarHBondContact OG-O 3.06Å; S211-R213 PolarHBondContact O-N 3.32Å
212T98.4Very high97.9Very high56 Ų5626.8 Ų26.834%0.34414%0.136SC..EExtended strand (participates in β ladder)trans-62.9116.8176.4-59.10000109.8Y133 W164 Y214Y133-T212 WeakPolarHBondContact O-CA 3.4Å; W164-T212 WeakPolarHBondContact CZ3-O 3.42Å; T212-Y214 HydrophobicContact CG2-CD2 4.29Å; T212-Y214 HydrophobicContact CG2-CE1 3.9Å; T212-Y214 HydrophobicContact CG2-CE2 3.63Å; T212-Y214 VanDerWaalsContact CG2-CZ 3.41Å
213R98.7Very high97.5Very high6 Ų628.5 Ų28.52%0.02315%0.148CC..EExtended strand (participates in β ladder)trans-117.7115.2-177.4173.7-169.4179.8-77.66.1110.5C132 Y133 N161 W164 G171 P188 S209 S211C132-R213 WeakPolarHBondContact CA-O 3.42Å; Y133-R213 PolarHBondContact N-O 3.47Å; Y133-R213 PolarHBondContact O-N 3.22Å; N161-R213 WeakPolarHBondContact OD1-CA 3.48Å; W164-R213 HydrophobicContact CH2-CB 3.63Å; W164-R213 HydrophobicContact CH2-CG 4.25Å; W164-R213 HydrophobicContact CZ2-CB 4.33Å; W164-R213 HydrophobicContact CZ3-CB 4.08Å; G171-R213 PolarHBondContact O-NE 2.96Å; P188-R213 HydrophobicContact CB-CG 4.34Å; P188-R213 HydrophobicContact CG-CG 4.34Å; S209-R213 WeakPolarHBondContact OG-CB 3.45Å; S211-R213 PolarHBondContact O-N 3.32Å
214Y98.9Very high97.2Very high27 Ų2733.7 Ų33.711%0.10617%0.17CC..EExtended strand (participates in β ladder)trans-98.8145.1175.4-60.7-63.4000112.5L52 V55 V56 H59 A131 C132 N161 T212L52-Y214 HydrophobicContact CD1-CD2 3.92Å; L52-Y214 HydrophobicContact CD1-CE2 4.37Å; V55-Y214 HydrophobicContact CG1-CD1 3.62Å; V55-Y214 HydrophobicContact CG1-CE1 4.16Å; V55-Y214 HydrophobicContact CG1-CG 3.84Å; V56-Y214 HydrophobicContact CG2-CD2 4.48Å; V56-Y214 HydrophobicContact CG2-CE2 3.77Å; H59-Y214 HydrophobicContact CB-CE1 4.09Å; H59-Y214 AromaticContact ND1-CE1 3.53Å; H59-Y214 AromaticContact ND1-CZ 3.58Å; H59-Y214 PolarHBondContact ND1-OH 2.8Å; A131-Y214 VanDerWaalsContact O-CA 3.31Å; A131-Y214 WeakPolarHBondContact O-CA 3.33Å; C132-Y214 HydrophobicContact CB-CD1 3.79Å; C132-Y214 HydrophobicContact CB-CE1 3.68Å; C132-Y214 VanDerWaalsContact SG-CE1 3.54Å; N161-Y214 PolarHBondContact ND2-O 2.77Å; N161-Y214 PolarHBondContact OD1-N 3.19Å; N161-Y214 PolarHBondContact OD1-O 2.84Å; T212-Y214 HydrophobicContact CG2-CD2 4.29Å; T212-Y214 HydrophobicContact CG2-CE1 3.9Å; T212-Y214 HydrophobicContact CG2-CE2 3.63Å; T212-Y214 VanDerWaalsContact CG2-CZ 3.41Å
215A98.8Very high96.9Very high3 Ų335.5 Ų35.53%0.02518%0.178CC..EExtended strand (participates in β ladder)trans-151.9152.6169.500000110.6A131 I157 Y158 Y159A131-A215 PolarHBondContact N-O 3.39Å; A131-A215 PolarHBondContact O-N 3.05Å; I157-A215 HydrophobicContact CG2-CB 3.87Å; Y158-A215 CarbonylContact O-C 3.49Å; Y158-A215 WeakPolarHBondContact O-CA 3.44Å; Y159-A215 HydrophobicContact CD1-CB 3.96Å; Y159-A215 HydrophobicContact CE1-CB 4.15Å
216I98.9Very high96.6Very high5 Ų536.6 Ų36.63%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-116.2123.5170.5-58177.4000107.8V51 V55 I99 L102 A128 M129 V130 I157 Y158 L160V51-I216 HydrophobicContact CG1-CD1 3.57Å; V55-I216 HydrophobicContact CG2-CD1 3.82Å; V55-I216 HydrophobicContact CG2-CG1 4.15Å; I99-I216 HydrophobicContact CG1-CD1 4.06Å; L102-I216 HydrophobicContact CD2-CD1 3.95Å; A128-I216 HydrophobicContact CB-CG2 3.8Å; M129-I216 WeakPolarHBondContact O-CA 3.29Å; V130-I216 HydrophobicContact CG2-CG1 4.28Å; I157-I216 CarbonylContact C-O 3.6Å; I157-I216 WeakPolarHBondContact CA-O 3.48Å; Y158-I216 PolarHBondContact N-O 3.24Å; Y158-I216 PolarHBondContact O-N 3.05Å; L160-I216 HydrophobicContact CD1-CD1 4.06Å; L160-I216 HydrophobicContact CD1-CG1 3.91Å
217T98.8Very high96.3Very high10 Ų1038.8 Ų38.86%0.06120%0.2CC..EExtended strand (participates in β ladder)trans-113.9135.4179.4-52.60000111.3A128 M129 T155 C156 I157 W219A128-T217 WeakPolarHBondContact CA-O 3.46Å; M129-T217 PolarHBondContact N-O 3.43Å; M129-T217 PolarHBondContact O-N 3.04Å; T155-T217 HydrophobicContact CG2-CG2 3.81Å; C156-T217 CarbonylContact O-C 3.45Å; C156-T217 VanDerWaalsContact O-CA 3.31Å; C156-T217 WeakPolarHBondContact O-CA 3.36Å; I157-T217 HydrophobicContact CG1-CG2 4.07Å; T217-W219 HydrophobicContact CG2-CD2 4.11Å; T217-W219 HydrophobicContact CG2-CE3 4.26Å; T217-W219 HydrophobicContact CG2-CH2 3.68Å; T217-W219 HydrophobicContact CG2-CZ2 3.49Å; T217-W219 VanDerWaalsContact CG2-CZ2 3.49Å; T217-W219 HydrophobicContact CG2-CZ3 4.03Å
218V98.5Very high96Very high1 Ų141.7 Ų41.71%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-127.9144.6164.6-70.80000110.3L103 I106 A128 C156 Y220L103-V218 HydrophobicContact CD2-CG1 3.55Å; I106-V218 HydrophobicContact CG2-CG2 4.47Å; A128-V218 HydrophobicContact CB-CG1 3.86Å; C156-V218 HydrophobicContact CB-CG2 3.81Å; C156-V218 PolarHBondContact N-O 3.22Å; C156-V218 PolarHBondContact O-N 2.9Å; V218-Y220 HydrophobicContact CG2-CE2 3.78Å
219W98.3Very high95.7Very high20 Ų2039.5 Ų39.58%0.07620%0.2CC..EExtended strand (participates in β ladder)trans-111.7128173.3-61.7-89.5000110.3W88 R125 S126 M129 D145 R152 L154 T155 T217W88-W219 HydrophobicContact CH2-CE3 4.21Å; W88-W219 HydrophobicContact CH2-CH2 4.13Å; W88-W219 AromaticContact CH2-CZ3 3.41Å; W88-W219 HydrophobicContact CH2-CZ3 3.41Å; W88-W219 VanDerWaalsContact CH2-CZ3 3.41Å; W88-W219 HydrophobicContact CZ2-CZ3 4.49Å; W88-W219 HydrophobicContact CZ3-CE3 4.33Å; W88-W219 AromaticContact CZ3-CZ3 3.72Å; W88-W219 HydrophobicContact CZ3-CZ3 3.72Å; R125-W219 CarbonylContact C-O 3.56Å; R125-W219 WeakPolarHBondContact CA-O 3.23Å; R125-W219 VanDerWaalsContact CB-O 3.28Å; R125-W219 WeakPolarHBondContact CB-O 3.5Å; S126-W219 PolarHBondContact N-O 2.83Å; S126-W219 PolarHBondContact OG-N 3.05Å; S126-W219 VanDerWaalsContact OG-N 3.07Å; M129-W219 HydrophobicContact CB-CH2 4.15Å; M129-W219 HydrophobicContact CB-CZ3 3.94Å; M129-W219 HydrophobicContact CE-CH2 3.7Å; M129-W219 HydrophobicContact CE-CZ2 4.43Å; M129-W219 HydrophobicContact SD-CH2 3.78Å; M129-W219 HydrophobicContact SD-CZ3 4.38Å; D145-W219 PolarHBondContact OD2-NE1 3.27Å; R152-W219 HydrophobicContact CB-CB 4.3Å; R152-W219 VanDerWaalsContact CD-CG 3.48Å; R152-W219 HydrophobicContact CG-CB 3.73Å; R152-W219 HydrophobicContact CG-CG 4.03Å; L154-W219 CarbonylContact O-C 3.59Å; L154-W219 WeakPolarHBondContact O-CA 3.5Å; T155-W219 PolarHBondContact OG1-NE1 3.44Å; T217-W219 HydrophobicContact CG2-CD2 4.11Å; T217-W219 HydrophobicContact CG2-CE3 4.26Å; T217-W219 HydrophobicContact CG2-CH2 3.68Å; T217-W219 HydrophobicContact CG2-CZ2 3.49Å; T217-W219 VanDerWaalsContact CG2-CZ2 3.49Å; T217-W219 HydrophobicContact CG2-CZ3 4.03Å
220Y97.1Very high95.3Very high9 Ų944 Ų444%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-92.2137172.7-71-94.1000109.8I106 D107 I110 I122 R125 R153 L154 C156 V218I106-Y220 HydrophobicContact CG2-CE2 3.83Å; I106-Y220 VanDerWaalsContact CG2-OH 3.25Å; I106-Y220 WeakPolarHBondContact CG2-OH 3.4Å; D107-Y220 WeakPolarHBondContact CA-OH 3.34Å; D107-Y220 PolarHBondContact N-OH 3.15Å; D107-Y220 VanDerWaalsContact OD1-CE1 3.28Å; D107-Y220 WeakPolarHBondContact OD1-CE1 3.34Å; D107-Y220 VanDerWaalsContact OD1-CZ 3.29Å; D107-Y220 PolarHBondContact OD1-OH 3.37Å; I110-Y220 HydrophobicContact CB-CD1 4.21Å; I110-Y220 HydrophobicContact CB-CE1 3.93Å; I110-Y220 HydrophobicContact CB-CE2 4.3Å; I110-Y220 HydrophobicContact CG1-CD1 4.49Å; I110-Y220 HydrophobicContact CG1-CD2 4Å; I110-Y220 HydrophobicContact CG1-CE1 4.16Å; I110-Y220 HydrophobicContact CG1-CE2 3.61Å; I110-Y220 HydrophobicContact CG1-CG 4.43Å; I110-Y220 HydrophobicContact CG2-CD1 3.62Å; I110-Y220 HydrophobicContact CG2-CD2 4.27Å; I110-Y220 HydrophobicContact CG2-CE1 3.86Å; I110-Y220 HydrophobicContact CG2-CE2 4.46Å; I110-Y220 HydrophobicContact CG2-CG 3.86Å; I122-Y220 HydrophobicContact CG2-CD1 3.92Å; I122-Y220 HydrophobicContact CG2-CG 4.27Å; R125-Y220 HydrophobicContact CB-CD1 3.7Å; R125-Y220 HydrophobicContact CB-CD2 4.47Å; R125-Y220 HydrophobicContact CB-CE1 3.79Å; R125-Y220 HydrophobicContact CB-CG 4.05Å; R125-Y220 HydrophobicContact CG-CD1 4.42Å; R125-Y220 HydrophobicContact CG-CE1 4.03Å; R153-Y220 PolarHBondContact N-O 3.38Å; L154-Y220 PolarHBondContact N-O 3.39Å; L154-Y220 PolarHBondContact O-N 3.12Å; C156-Y220 HydrophobicContact CB-CE2 4.34Å; V218-Y220 HydrophobicContact CG2-CE2 3.78Å
221F95.1Very high95.1Very high18 Ų1842.8 Ų42.88%0.07922%0.218CC..EExtended strand (participates in β ladder)trans-103.7137.8-172.4-61.1-79.2000112.5I122 E124 S126 G151 R152 S223 R226I122-F221 WeakPolarHBondContact CA-O 3.48Å; E124-F221 HydrophobicContact CG-CB 3.96Å; E124-F221 HydrophobicContact CG-CD2 3.88Å; E124-F221 HydrophobicContact CG-CG 4.31Å; E124-F221 WeakPolarHBondContact O-CD2 3.35Å; E124-F221 PolarHBondContact O-N 3.5Å; S126-F221 VanDerWaalsContact N-CE2 3.34Å; G151-F221 CarbonylContact O-C 3.57Å; G151-F221 WeakPolarHBondContact O-CA 3.14Å; R152-F221 HydrophobicContact CB-CE1 4.47Å; R152-F221 HydrophobicContact CG-CD1 3.84Å; R152-F221 HydrophobicContact CG-CE1 3.37Å; R152-F221 HydrophobicContact CG-CZ 4.23Å; F221-S223 PolarHBondContact O-N 3.48Å; F221-R226 HydrophobicContact CB-CB 4.34Å; F221-R226 HydrophobicContact CB-CG 4.35Å; F221-R226 HydrophobicContact CD1-CG 4.39Å; F221-R226 HydrophobicContact CG-CG 4.45Å
222D92.9Very high94.8Very high16 Ų1645.4 Ų45.49%0.08622%0.221CC..EExtended strand (participates in β ladder)trans-71.1117.6159.3-172.7-73.1000109.5G151 R153 E224 E225 R226G151-D222 PolarHBondContact O-N 2.8Å; R153-D222 HydrophobicContact CB-CB 4.24Å; R153-D222 IonicContact CZ-OD2 3.01Å; R153-D222 IonicContact NH1-OD2 3.76Å; R153-D222 PolarHBondContact NH1-OD2 2.81Å; D222-E224 VanDerWaalsContact C-N 3.28Å; D222-E224 PolarHBondContact O-N 3.09Å; D222-E224 PolarHBondContact OD1-N 3.03Å; D222-E225 HydrophobicContact CB-CB 3.99Å; D222-E225 PolarHBondContact OD1-N 3.42Å; D222-R226 WeakPolarHBondContact O-CB 3.46Å; D222-R226 PolarHBondContact O-N 3.35Å
223S90.8Very high94.2Very high36 Ų3649.6 Ų49.625%0.25223%0.234SC..Hα-helixtrans-60.3-36.8-174.4-65.80000112.9A121 F221 A227A121-S223 WeakPolarHBondContact O-CB 3.44Å; A121-S223 PolarHBondContact O-N 2.75Å; A121-S223 PolarHBondContact O-OG 3.21Å; F221-S223 PolarHBondContact O-N 3.48Å; S223-A227 VanDerWaalsContact O-CB 3.3Å; S223-A227 WeakPolarHBondContact O-CB 3.5Å; S223-A227 PolarHBondContact O-N 3.26Å
224E91.3Very high93.7Very high136 Ų13656.8 Ų56.864%0.63626%0.262SS*.Hα-helixtrans-75.5-50.7-177.3-66.8-175.4-174.300110.7D222 R226 A227 Q228D222-E224 VanDerWaalsContact C-N 3.28Å; D222-E224 PolarHBondContact O-N 3.09Å; D222-E224 PolarHBondContact OD1-N 3.03Å; E224-R226 PolarHBondContact O-N 3.36Å; E224-A227 PolarHBondContact O-N 3.39Å; E224-Q228 WeakPolarHBondContact O-CG 3.43Å; E224-Q228 PolarHBondContact O-N 2.81Å
225E92.3Very high93.2Very high45 Ų4559.4 Ų59.421%0.2128%0.278CS..Hα-helixtrans-60-39.7176.9-173-178.1111.100110.6N146 R149 G151 D222 Q228 A229N146-E225 PolarHBondContact ND2-OE1 3.1Å; R149-E225 WeakPolarHBondContact CA-OE1 3.31Å; R149-E225 HydrophobicContact CB-CG 3.98Å; R149-E225 WeakPolarHBondContact O-CG 3.24Å; G151-E225 VanDerWaalsContact CA-OE1 3.25Å; G151-E225 WeakPolarHBondContact CA-OE1 3.34Å; G151-E225 PolarHBondContact N-OE1 3.01Å; D222-E225 HydrophobicContact CB-CB 3.99Å; D222-E225 PolarHBondContact OD1-N 3.42Å; E225-Q228 PolarHBondContact O-N 2.84Å; E225-A229 WeakPolarHBondContact O-CB 3.17Å; E225-A229 PolarHBondContact O-N 3Å
226R92.2Very high92.5Very high71 Ų7164.7 Ų64.727%0.26831%0.305SS..Hα-helixtrans-64.8-42.8177.3-17457.8172.6167.44.2112.4E124 D150 F221 D222 E224 Q228 A229 K230E124-R226 VanDerWaalsContact OE1-CG 3.3Å; E124-R226 WeakPolarHBondContact OE1-CG 3.31Å; E124-R226 IonicContact OE1-NE 3.73Å; D150-R226 WeakPolarHBondContact O-CD 3.3Å; D150-R226 PolarHBondContact O-NH1 3.12Å; F221-R226 HydrophobicContact CB-CB 4.34Å; F221-R226 HydrophobicContact CB-CG 4.35Å; F221-R226 HydrophobicContact CD1-CG 4.39Å; F221-R226 HydrophobicContact CG-CG 4.45Å; D222-R226 WeakPolarHBondContact O-CB 3.46Å; D222-R226 PolarHBondContact O-N 3.35Å; E224-R226 PolarHBondContact O-N 3.36Å; R226-Q228 VanDerWaalsContact C-N 3.34Å; R226-A229 PolarHBondContact O-N 3.05Å; R226-K230 WeakPolarHBondContact O-CG 3.43Å; R226-K230 PolarHBondContact O-N 3.37Å
227A91.5Very high91.5Very high57 Ų5767 Ų6747%0.47132%0.319SS..Hα-helixtrans-62.6-42.3175.600000111.4S223 E224 K230 K231S223-A227 VanDerWaalsContact O-CB 3.3Å; S223-A227 WeakPolarHBondContact O-CB 3.5Å; S223-A227 PolarHBondContact O-N 3.26Å; E224-A227 PolarHBondContact O-N 3.39Å; A227-K230 PolarHBondContact O-N 2.8Å; A227-K231 PolarHBondContact O-N 3.38Å
228Q92.6Very high90.5Very high108 Ų10868.5 Ų68.551%0.50533%0.333SS..Hα-helixtrans-64.3-41.4175.3-66.1173.618.800111.8E224 E225 R226 K231 R232E224-Q228 WeakPolarHBondContact O-CG 3.43Å; E224-Q228 PolarHBondContact O-N 2.81Å; E225-Q228 PolarHBondContact O-N 2.84Å; R226-Q228 VanDerWaalsContact C-N 3.34Å; Q228-K231 WeakPolarHBondContact O-CB 3.45Å; Q228-K231 PolarHBondContact O-N 2.9Å; Q228-R232 WeakPolarHBondContact O-CG 3.32Å; Q228-R232 PolarHBondContact O-N 3.13Å
229A91.2Very high89.2Confident14 Ų1471.6 Ų71.612%0.11635%0.354CS..Hα-helixtrans-61.7-44.9176.100000112.2E225 R226 K231 R232 F233E225-A229 WeakPolarHBondContact O-CB 3.17Å; E225-A229 PolarHBondContact O-N 3Å; R226-A229 PolarHBondContact O-N 3.05Å; A229-K231 VanDerWaalsContact C-N 3.28Å; A229-K231 PolarHBondContact O-N 2.71Å; A229-R232 PolarHBondContact O-N 3.24Å; A229-F233 PolarHBondContact O-N 3.41Å
230K90.1Very high88Confident94 Ų9475.2 Ų75.241%0.40938%0.379SS..Hα-helixtrans-61.1-36.1174.2-72174.2-176167.40111.7E124 R226 A227 R234E124-K230 IonicContact OE1-NZ 2.7Å; E124-K230 PolarHBondContact OE1-NZ 2.59Å; E124-K230 IonicContact OE2-NZ 2.76Å; R226-K230 WeakPolarHBondContact O-CG 3.43Å; R226-K230 PolarHBondContact O-N 3.37Å; A227-K230 PolarHBondContact O-N 2.8Å; K230-R234 WeakPolarHBondContact O-CG 3.45Å; K230-R234 PolarHBondContact O-N 2.77Å; K230-R234 PolarHBondContact O-NE 3.28Å
231K91.9Very high86.4Confident124 Ų12481.7 Ų81.754%0.53941%0.409SS..Hα-helixtrans-66-53.1173.9-173.5179.5175.7-176.80111.4A227 Q228 A229 F233 R234 D235A227-K231 PolarHBondContact O-N 3.38Å; Q228-K231 WeakPolarHBondContact O-CB 3.45Å; Q228-K231 PolarHBondContact O-N 2.9Å; A229-K231 VanDerWaalsContact C-N 3.28Å; A229-K231 PolarHBondContact O-N 2.71Å; K231-F233 VanDerWaalsContact C-N 3.26Å; K231-F233 PolarHBondContact O-N 2.97Å; K231-R234 PolarHBondContact O-N 3.26Å; K231-D235 VanDerWaalsContact O-CG 3.28Å; K231-D235 PolarHBondContact O-N 3.4Å
232R91.6Very high84.7Confident98 Ų9887.3 Ų87.337%0.3744%0.436SS..Hα-helixtrans-53.9-42.8177.9-69.4-171.9-59-93.23.8112.3R149 Q228 A229 D235 L236R149-R232 PolarHBondContact O-NH2 3.47Å; Q228-R232 WeakPolarHBondContact O-CG 3.32Å; Q228-R232 PolarHBondContact O-N 3.13Å; A229-R232 PolarHBondContact O-N 3.24Å; R232-D235 PolarHBondContact O-N 3.23Å; R232-L236 WeakPolarHBondContact O-CB 3.38Å; R232-L236 WeakPolarHBondContact O-CD1 3.32Å; R232-L236 WeakPolarHBondContact O-CG 3.1Å; R232-L236 PolarHBondContact O-N 3.27Å
233F86.8Confident83Confident143 Ų14393.2 Ų93.263%0.62746%0.463SS*.Hα-helixtrans-62.8-44.7178-174.5-95.9000112.5A229 K231 D235 L236 T237A229-F233 PolarHBondContact O-N 3.41Å; K231-F233 VanDerWaalsContact C-N 3.26Å; K231-F233 PolarHBondContact O-N 2.97Å; F233-D235 PolarHBondContact O-N 3.36Å; F233-L236 PolarHBondContact O-N 2.88Å; F233-T237 HydrophobicContact CD1-CG2 4.27Å; F233-T237 HydrophobicContact CE1-CG2 3.8Å; F233-T237 HydrophobicContact CZ-CG2 3.94Å; F233-T237 PolarHBondContact O-N 2.99Å; F233-T237 PolarHBondContact O-OG1 2.96Å; F233-T237 VanDerWaalsContact O-OG1 3.14Å
234R87.9Confident81.2Confident157 Ų15793.6 Ų93.659%0.59247%0.473SS*.Hα-helixtrans-61.7-42.2176.7-75.3-177.9-67.4172.11.4112.4K230 K231 L236 T237 A238K230-R234 WeakPolarHBondContact O-CG 3.45Å; K230-R234 PolarHBondContact O-N 2.77Å; K230-R234 PolarHBondContact O-NE 3.28Å; K231-R234 PolarHBondContact O-N 3.26Å; R234-L236 VanDerWaalsContact C-N 3.35Å; R234-T237 WeakPolarHBondContact CA-OG1 3.32Å; R234-T237 PolarHBondContact O-N 3.46Å; R234-T237 PolarHBondContact O-OG1 2.89Å; R234-A238 WeakPolarHBondContact O-CB 3.49Å; R234-A238 PolarHBondContact O-N 2.83Å
235D87.9Confident79.4Confident83 Ų8391.1 Ų91.144%0.44447%0.47SS..Hα-helixtrans-66-39.2-179.6-60.4-17.1000111K231 R232 F233 S239K231-D235 VanDerWaalsContact O-CG 3.28Å; K231-D235 PolarHBondContact O-N 3.4Å; R232-D235 PolarHBondContact O-N 3.23Å; F233-D235 PolarHBondContact O-N 3.36Å; D235-S239 WeakPolarHBondContact O-CB 3.41Å; D235-S239 PolarHBondContact O-N 2.83Å; D235-S239 VanDerWaalsContact O-N 3.09Å; D235-S239 PolarHBondContact O-OG 2.68Å
236L83.9Confident77.5Confident114 Ų11493.5 Ų93.560%0.59749%0.492SS*.Hα-helixtrans-64-46174-82.9155.6000112.5R232 F233 R234 S239 T240R232-L236 WeakPolarHBondContact O-CB 3.38Å; R232-L236 WeakPolarHBondContact O-CD1 3.32Å; R232-L236 WeakPolarHBondContact O-CG 3.1Å; R232-L236 PolarHBondContact O-N 3.27Å; F233-L236 PolarHBondContact O-N 2.88Å; R234-L236 VanDerWaalsContact C-N 3.35Å; L236-S239 PolarHBondContact O-N 3.46Å; L236-T240 PolarHBondContact O-N 2.91Å; L236-T240 VanDerWaalsContact O-N 3.15Å; L236-T240 PolarHBondContact O-OG1 3.19Å
237T79.5Confident75.4Confident52 Ų5295 Ų9532%0.31951%0.514SS..Hα-helixtrans-65.1-43178.747.50000111.6F233 R234 S239 T240 E241F233-T237 HydrophobicContact CD1-CG2 4.27Å; F233-T237 HydrophobicContact CE1-CG2 3.8Å; F233-T237 HydrophobicContact CZ-CG2 3.94Å; F233-T237 PolarHBondContact O-N 2.99Å; F233-T237 PolarHBondContact O-OG1 2.96Å; F233-T237 VanDerWaalsContact O-OG1 3.14Å; R234-T237 WeakPolarHBondContact CA-OG1 3.32Å; R234-T237 PolarHBondContact O-N 3.46Å; R234-T237 PolarHBondContact O-OG1 2.89Å; T237-S239 VanDerWaalsContact C-N 3.35Å; T237-S239 PolarHBondContact O-N 3.46Å; T237-T240 PolarHBondContact O-N 2.92Å; T237-E241 WeakPolarHBondContact O-CG 3.25Å; T237-E241 PolarHBondContact O-N 3.2Å; T237-E241 VanDerWaalsContact O-N 3.1Å
238A77.6Confident73.1Confident43 Ų43100.3 Ų100.336%0.35555%0.547SS..Hα-helixtrans-64.1-38.4178.700000112.6R234 T240 E241 Q242R234-A238 WeakPolarHBondContact O-CB 3.49Å; R234-A238 PolarHBondContact O-N 2.83Å; A238-T240 VanDerWaalsContact C-N 3.34Å; A238-E241 PolarHBondContact O-N 2.81Å; A238-Q242 WeakPolarHBondContact O-CG 3.08Å; A238-Q242 PolarHBondContact O-N 3.4Å; A238-Q242 VanDerWaalsContact O-N 3.17Å
239S71.7Confident72.1Confident65 Ų6599.9 Ų99.946%0.45555%0.549SS..Hα-helixtrans-67.1-34.9176.9-57.10000112.4D235 L236 T237 Q243D235-S239 WeakPolarHBondContact O-CB 3.41Å; D235-S239 PolarHBondContact O-N 2.83Å; D235-S239 VanDerWaalsContact O-N 3.09Å; D235-S239 PolarHBondContact O-OG 2.68Å; L236-S239 PolarHBondContact O-N 3.46Å; T237-S239 VanDerWaalsContact C-N 3.35Å; T237-S239 PolarHBondContact O-N 3.46Å; S239-Q243 PolarHBondContact O-N 3.12Å
240T71.2Confident71.1Confident97 Ų97104.4 Ų104.460%0.59557%0.572SS**Hα-helixtrans-70.8-38.9178.5-51.20000111.3L236 T237 A238 Q243 G244L236-T240 PolarHBondContact O-N 2.91Å; L236-T240 VanDerWaalsContact O-N 3.15Å; L236-T240 PolarHBondContact O-OG1 3.19Å; T237-T240 PolarHBondContact O-N 2.92Å; A238-T240 VanDerWaalsContact C-N 3.34Å; T240-Q243 PolarHBondContact O-N 3.38Å; T240-G244 PolarHBondContact O-N 2.93Å; T240-G244 VanDerWaalsContact O-N 3.09Å
241E65.4Low70.1Confident144 Ų144105 Ų10567%0.67358%0.581SS**Hα-helixtrans-67.1-39.4176.9-71.5172.1179.500112.3T237 A238 G244 S245T237-E241 WeakPolarHBondContact O-CG 3.25Å; T237-E241 PolarHBondContact O-N 3.2Å; T237-E241 VanDerWaalsContact O-N 3.1Å; A238-E241 PolarHBondContact O-N 2.81Å; E241-G244 PolarHBondContact O-N 3.08Å; E241-S245 PolarHBondContact O-N 2.94Å; E241-S245 PolarHBondContact O-OG 3.11Å
242Q59.2Low68.8Low137 Ų137103.9 Ų103.964%0.6458%0.583SS**Hα-helixtrans-68-33.3176.6-75179.8-8.800113.6A238 S245 S246A238-Q242 WeakPolarHBondContact O-CG 3.08Å; A238-Q242 PolarHBondContact O-N 3.4Å; A238-Q242 VanDerWaalsContact O-N 3.17Å; Q242-S245 PolarHBondContact O-OG 2.99Å; Q242-S246 PolarHBondContact O-N 3.26Å; Q242-S246 PolarHBondContact O-OG 3.31Å
243Q56.7Low67.4Low140 Ų140104.3 Ų104.365%0.65460%0.597SS**Hα-helixtrans-73.3-34.2173.6-74.5-178.1-2.500112S239 T240 S246 S247S239-Q243 PolarHBondContact O-N 3.12Å; T240-Q243 PolarHBondContact O-N 3.38Å; Q243-S246 PolarHBondContact O-OG 2.8Å; Q243-S247 PolarHBondContact O-OG 3.45Å
244G53.2Low66.1Low44 Ų44101.7 Ų101.745%0.45460%0.595SS.*Hα-helixtrans-66.6-36.9173.700000113.5T240 E241 S248T240-G244 PolarHBondContact O-N 2.93Å; T240-G244 VanDerWaalsContact O-N 3.09Å; E241-G244 PolarHBondContact O-N 3.08Å; G244-S248 PolarHBondContact O-OG 3.25Å
245S52.9Low64.5Low84 Ų8497.7 Ų97.759%0.58760%0.595SS**Hα-helixtrans-80.4-19.6-179.167.50000114.7E241 Q242E241-S245 PolarHBondContact O-N 2.94Å; E241-S245 PolarHBondContact O-OG 3.11Å; Q242-S245 PolarHBondContact O-OG 2.99Å
246S52.6Low62.7Low95 Ų9598.8 Ų98.866%0.66461%0.606SS**THydrogen-bonded Turntrans-90.3-3.4176.246.20000113.3Q242 Q243Q242-S246 PolarHBondContact O-N 3.26Å; Q242-S246 PolarHBondContact O-OG 3.31Å; Q243-S246 PolarHBondContact O-OG 2.8Å
247S48.6Very low61Low103 Ų10397.6 Ų97.672%0.7261%0.607SS**  trans-104.88178.7-49.80000113.2Q243Q243-S247 PolarHBondContact O-OG 3.45Å
248S43Very low59.3Low167 Ų167101.7 Ų101.7100%1.16863%0.633SS**  trans-110.80-179.5-56.60000111.8G244G244-S248 PolarHBondContact O-OG 3.25Å

Retrieved 248 of 248 residues in 175.3 ms (Link to these results)

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