A0A2K6KAB1_RHIBE Loading...

Glycosyltransferase 8 domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A2K6KAB1, Species RHIBE (Rhinopithecus bieti, Black snub-nosed monkey), Gene GLT8D2, Length 349 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
1M57.6Low67.3Low218 Ų218126.1 Ų126.1100%1.07464%0.638SS**  0-41.70-81.2-173-91.800114.3L3 R5M1-L3 PolarHBondContact O-N 3.37Å; M1-R5 PolarHBondContact O-N 3.47Å
2A57.9Low68.6Low76 Ų76124.4 Ų124.463%0.62863%0.631SS**Hα-helixtrans-66.1-34.4-178.300000115.1R5 K6A2-R5 PolarHBondContact O-N 3.47Å; A2-K6 PolarHBondContact O-N 3.21Å
3L59.1Low70.1Confident128 Ų128125.5 Ų125.567%0.6763%0.629SS**Hα-helixtrans-69.3-42.1179.5-167.971.2000112.5M1 R5 K6 I7M1-L3 PolarHBondContact O-N 3.37Å; L3-R5 VanDerWaalsContact C-N 3.29Å; L3-R5 PolarHBondContact O-N 3.4Å; L3-K6 PolarHBondContact O-N 3.48Å; L3-I7 HydrophobicContact CG-CD1 4.16Å; L3-I7 WeakPolarHBondContact O-CG1 3.44Å; L3-I7 PolarHBondContact O-N 3.05Å
4L57.7Low70.9Confident124 Ų124123.5 Ų123.565%0.64962%0.621SS**Hα-helixtrans-62.6-36.7175.9-121.583.6000111.9I7 N8L4-I7 PolarHBondContact O-N 3.21Å; L4-N8 WeakPolarHBondContact O-CB 3.31Å; L4-N8 PolarHBondContact O-N 3.03Å
5R62.4Low71.8Confident193 Ų193122.4 Ų122.473%0.72862%0.617SS**Hα-helixtrans-64.9-40.9175-110.9-179.5179.6177.9-0112.2M1 A2 L3 Q9M1-R5 PolarHBondContact O-N 3.47Å; A2-R5 PolarHBondContact O-N 3.47Å; L3-R5 VanDerWaalsContact C-N 3.29Å; L3-R5 PolarHBondContact O-N 3.4Å; R5-Q9 VanDerWaalsContact O-CG 3.31Å; R5-Q9 WeakPolarHBondContact O-CG 3.4Å; R5-Q9 PolarHBondContact O-N 2.97Å
6K64.1Low72.9Confident142 Ų142120.3 Ų120.362%0.61761%0.606SS**Hα-helixtrans-66.9-41.7175.8-77-171.8175.3-173.50112.2A2 L3 Q9 V10A2-K6 PolarHBondContact O-N 3.21Å; L3-K6 PolarHBondContact O-N 3.48Å; K6-Q9 PolarHBondContact O-N 3Å; K6-V10 WeakPolarHBondContact O-CG2 3.36Å; K6-V10 PolarHBondContact O-N 3.28Å
7I70.9Confident73.6Confident85 Ų85117.1 Ų117.144%0.43659%0.594SS.*Hα-helixtrans-64.5-42.9177.3-66.6167.1000110.6L3 L4 Q9 V10 L11L3-I7 HydrophobicContact CG-CD1 4.16Å; L3-I7 WeakPolarHBondContact O-CG1 3.44Å; L3-I7 PolarHBondContact O-N 3.05Å; L4-I7 PolarHBondContact O-N 3.21Å; I7-Q9 VanDerWaalsContact C-N 3.33Å; I7-Q9 PolarHBondContact O-N 3.43Å; I7-V10 PolarHBondContact O-N 2.95Å; I7-L11 HydrophobicContact CG2-CD1 3.92Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 2.97Å
8N73.5Confident74Confident103 Ų103115.1 Ų115.155%0.55159%0.589SS**Hα-helixtrans-65.3-33.8175.5-83.15.2000113.1L4 L12L4-N8 WeakPolarHBondContact O-CB 3.31Å; L4-N8 PolarHBondContact O-N 3.03Å; N8-L12 VanDerWaalsContact O-CB 3.23Å; N8-L12 WeakPolarHBondContact O-CB 3.5Å; N8-L12 PolarHBondContact O-N 3.29Å
9Q75.6Confident74.4Confident130 Ų130113.8 Ų113.861%0.60758%0.583SS**Hα-helixtrans-68.3-38.7174.9-78.3176.1-24.900112.4R5 K6 I7 F13R5-Q9 VanDerWaalsContact O-CG 3.31Å; R5-Q9 WeakPolarHBondContact O-CG 3.4Å; R5-Q9 PolarHBondContact O-N 2.97Å; K6-Q9 PolarHBondContact O-N 3Å; I7-Q9 VanDerWaalsContact C-N 3.33Å; I7-Q9 PolarHBondContact O-N 3.43Å; Q9-F13 WeakPolarHBondContact O-CB 3.44Å; Q9-F13 PolarHBondContact O-N 3.29Å
10V80.7Confident74.7Confident88 Ų88111.8 Ų111.853%0.53358%0.578SS.*Hα-helixtrans-68.4-43.2176.2172.90000111.2K6 I7 F13 L14K6-V10 WeakPolarHBondContact O-CG2 3.36Å; K6-V10 PolarHBondContact O-N 3.28Å; I7-V10 PolarHBondContact O-N 2.95Å; V10-F13 PolarHBondContact O-N 3.44Å; V10-L14 HydrophobicContact CG1-CD1 4.07Å; V10-L14 WeakPolarHBondContact O-CB 3.38Å; V10-L14 WeakPolarHBondContact O-CG 3.23Å; V10-L14 PolarHBondContact O-N 2.96Å
11L80.8Confident74.8Confident100 Ų100109.8 Ų109.852%0.52457%0.571SS.*Hα-helixtrans-63.6-40.8176.1-75.5165.7000112I7 L14 L15I7-L11 HydrophobicContact CG2-CD1 3.92Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 2.97Å; L11-L14 PolarHBondContact O-N 2.97Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 PolarHBondContact O-N 3.45Å
12L82.8Confident75.7Confident106 Ų106104.4 Ų104.456%0.55555%0.546SS*.Hα-helixtrans-65-42176-174.566.2000111.5N8 L15 I16N8-L12 VanDerWaalsContact O-CB 3.23Å; N8-L12 WeakPolarHBondContact O-CB 3.5Å; N8-L12 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.46Å; L12-I16 HydrophobicContact CG-CD1 4.12Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å; L12-I16 PolarHBondContact O-N 3.43Å
13F87.6Confident76.6Confident139 Ų139105.1 Ų105.161%0.6154%0.539SS*.Hα-helixtrans-62.8-45.7175.9-178.3-98.8000111.8Q9 V10 L15 I16 V17Q9-F13 WeakPolarHBondContact O-CB 3.44Å; Q9-F13 PolarHBondContact O-N 3.29Å; V10-F13 PolarHBondContact O-N 3.44Å; F13-L15 VanDerWaalsContact C-N 3.33Å; F13-L15 PolarHBondContact O-N 2.91Å; F13-I16 PolarHBondContact O-N 3.43Å; F13-V17 HydrophobicContact CD1-CG2 4.24Å; F13-V17 HydrophobicContact CE1-CG2 3.86Å; F13-V17 HydrophobicContact CE2-CG2 4.46Å; F13-V17 HydrophobicContact CZ-CG2 3.98Å; F13-V17 WeakPolarHBondContact O-CG2 3.43Å; F13-V17 PolarHBondContact O-N 3.33Å
14L81.9Confident77.4Confident97 Ų97105.8 Ų105.851%0.50853%0.533SS..Hα-helixtrans-59-45.6175.4-78.4165.8000111.1V10 L11 I16 V17 T18V10-L14 HydrophobicContact CG1-CD1 4.07Å; V10-L14 WeakPolarHBondContact O-CB 3.38Å; V10-L14 WeakPolarHBondContact O-CG 3.23Å; V10-L14 PolarHBondContact O-N 2.96Å; L11-L14 PolarHBondContact O-N 2.97Å; L14-I16 VanDerWaalsContact C-N 3.33Å; L14-I16 PolarHBondContact O-N 2.91Å; L14-V17 PolarHBondContact O-N 3.25Å; L14-T18 PolarHBondContact O-N 3.02Å; L14-T18 PolarHBondContact O-OG1 3.28Å
15L85.1Confident78Confident107 Ų107107 Ų10756%0.5653%0.533SS*.Hα-helixtrans-63.1-39.2180-161.9134.4000112.2L11 L12 F13 T18 L19L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 3.46Å; F13-L15 VanDerWaalsContact C-N 3.33Å; F13-L15 PolarHBondContact O-N 2.91Å; L15-T18 PolarHBondContact O-N 3.35Å; L15-L19 HydrophobicContact CD2-CD1 4.11Å; L15-L19 WeakPolarHBondContact O-CB 3.25Å; L15-L19 PolarHBondContact O-N 2.93Å
16I87.9Confident78.3Confident88 Ų88105.6 Ų105.645%0.45153%0.532SS..Hα-helixtrans-63.3-45.8173.9-68.7165.1000110.7L12 F13 L14 T18 L19 C20L12-I16 HydrophobicContact CG-CD1 4.12Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å; L12-I16 PolarHBondContact O-N 3.43Å; F13-I16 PolarHBondContact O-N 3.43Å; L14-I16 VanDerWaalsContact C-N 3.33Å; L14-I16 PolarHBondContact O-N 2.91Å; I16-T18 PolarHBondContact O-N 2.94Å; I16-L19 PolarHBondContact O-N 3.28Å; I16-C20 WeakPolarHBondContact O-CB 3.26Å; I16-C20 PolarHBondContact O-N 3.19Å; I16-C20 PolarHBondContact O-SG 3.48Å
17V85.5Confident78.2Confident66 Ų66103 Ų10340%0.453%0.529SS..Hα-helixtrans-61-44.5178172.60000111F13 L14 L19 C20 V21F13-V17 HydrophobicContact CD1-CG2 4.24Å; F13-V17 HydrophobicContact CE1-CG2 3.86Å; F13-V17 HydrophobicContact CE2-CG2 4.46Å; F13-V17 HydrophobicContact CZ-CG2 3.98Å; F13-V17 WeakPolarHBondContact O-CG2 3.43Å; F13-V17 PolarHBondContact O-N 3.33Å; L14-V17 PolarHBondContact O-N 3.25Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 2.85Å; V17-C20 PolarHBondContact O-N 3.41Å; V17-V21 WeakPolarHBondContact O-CG2 3.35Å; V17-V21 PolarHBondContact O-N 2.99Å
18T81.1Confident77.3Confident81 Ų81104.6 Ų104.650%0.49753%0.534SS..Hα-helixtrans-62.4-41.6177.8-33.90000111.4L14 L15 I16 V21 I22L14-T18 PolarHBondContact O-N 3.02Å; L14-T18 PolarHBondContact O-OG1 3.28Å; L15-T18 PolarHBondContact O-N 3.35Å; I16-T18 PolarHBondContact O-N 2.94Å; T18-V21 PolarHBondContact O-N 3.47Å; T18-I22 HydrophobicContact CG2-CD1 4.33Å; T18-I22 VanDerWaalsContact O-CG1 3.25Å; T18-I22 WeakPolarHBondContact O-CG1 3.37Å; T18-I22 PolarHBondContact O-N 2.78Å
19L81.9Confident76Confident92 Ų92109.1 Ų109.148%0.48255%0.549SS..Hα-helixtrans-66.6-40.1177.5-128.4131.7000111.7L15 I16 V17 I22 L23L15-L19 HydrophobicContact CD2-CD1 4.11Å; L15-L19 WeakPolarHBondContact O-CB 3.25Å; L15-L19 PolarHBondContact O-N 2.93Å; I16-L19 PolarHBondContact O-N 3.28Å; V17-L19 VanDerWaalsContact C-N 3.33Å; V17-L19 PolarHBondContact O-N 2.85Å; L19-I22 PolarHBondContact O-N 2.79Å; L19-L23 HydrophobicContact CD2-CD1 3.93Å; L19-L23 HydrophobicContact CD2-CG 4.43Å; L19-L23 WeakPolarHBondContact O-CB 3.44Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.36Å
20C79.4Confident74.4Confident72 Ų72106 Ų10649%0.48655%0.552SS.*Hα-helixtrans-62.8-40.5173.5-72.40000111.9I16 V17 L23 Y24I16-C20 WeakPolarHBondContact O-CB 3.26Å; I16-C20 PolarHBondContact O-N 3.19Å; I16-C20 PolarHBondContact O-SG 3.48Å; V17-C20 PolarHBondContact O-N 3.41Å; C20-L23 PolarHBondContact O-N 2.96Å; C20-Y24 WeakPolarHBondContact O-CB 3.34Å; C20-Y24 PolarHBondContact O-N 2.9Å
21V76.9Confident72.2Confident71 Ų71106.9 Ų106.943%0.4356%0.557SS.*Hα-helixtrans-66.8-40.9175.9171.10000111.4V17 T18 Y24 K25V17-V21 WeakPolarHBondContact O-CG2 3.35Å; V17-V21 PolarHBondContact O-N 2.99Å; T18-V21 PolarHBondContact O-N 3.47Å; V21-Y24 PolarHBondContact O-N 3.47Å; V21-K25 WeakPolarHBondContact O-CB 3.17Å; V21-K25 WeakPolarHBondContact O-CG 3.25Å; V21-K25 PolarHBondContact O-N 2.86Å
22I77.1Confident70Confident105 Ų105109.4 Ų109.454%0.53858%0.576SS.*Hα-helixtrans-65.4-44.1176.4-68.2164.9000110.6T18 L19 K25 K26T18-I22 HydrophobicContact CG2-CD1 4.33Å; T18-I22 VanDerWaalsContact O-CG1 3.25Å; T18-I22 WeakPolarHBondContact O-CG1 3.37Å; T18-I22 PolarHBondContact O-N 2.78Å; L19-I22 PolarHBondContact O-N 2.79Å; I22-K25 PolarHBondContact O-N 3.33Å; I22-K26 VanDerWaalsContact O-CB 3.31Å; I22-K26 WeakPolarHBondContact O-CB 3.41Å; I22-K26 PolarHBondContact O-N 2.89Å
23L75.8Confident67.5Low91 Ų91109.4 Ų109.448%0.47659%0.585SS.*Hα-helixtrans-66-41.7176.6-73.2170.2000111.7L19 C20 K26 V27L19-L23 HydrophobicContact CD2-CD1 3.93Å; L19-L23 HydrophobicContact CD2-CG 4.43Å; L19-L23 WeakPolarHBondContact O-CB 3.44Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.36Å; C20-L23 PolarHBondContact O-N 2.96Å; L23-K26 PolarHBondContact O-N 3.39Å; L23-V27 WeakPolarHBondContact O-CB 3.31Å; L23-V27 VanDerWaalsContact O-CG2 3.25Å; L23-V27 WeakPolarHBondContact O-CG2 3.42Å; L23-V27 PolarHBondContact O-N 3.32Å
24Y77.4Confident65.2Low141 Ų141111.7 Ų111.755%0.55360%0.595SS**Hα-helixtrans-59.6-48.9174.3179.4-98000111.2C20 V21 K26 V27 H28C20-Y24 WeakPolarHBondContact O-CB 3.34Å; C20-Y24 PolarHBondContact O-N 2.9Å; V21-Y24 PolarHBondContact O-N 3.47Å; Y24-K26 VanDerWaalsContact C-N 3.3Å; Y24-K26 PolarHBondContact O-N 2.84Å; Y24-V27 PolarHBondContact O-N 3.2Å; Y24-H28 AromaticContact CE2-CD2 3.77Å; Y24-H28 AromaticContact CE2-CE1 3.94Å; Y24-H28 AromaticContact CE2-NE2 3.61Å; Y24-H28 AromaticContact CZ-CD2 3.52Å; Y24-H28 AromaticContact CZ-NE2 3.77Å; Y24-H28 WeakPolarHBondContact O-CB 3.27Å; Y24-H28 PolarHBondContact O-N 2.88Å; Y24-H28 PolarHBondContact OH-CD2 3.44Å
25K70.1Confident62.9Low150 Ų150114.8 Ų114.865%0.65261%0.612SS**Hα-helixtrans-60.1-39.2174.5-78.1-170.6174.5-1710112.1V21 I22 K29V21-K25 WeakPolarHBondContact O-CB 3.17Å; V21-K25 WeakPolarHBondContact O-CG 3.25Å; V21-K25 PolarHBondContact O-N 2.86Å; I22-K25 PolarHBondContact O-N 3.33Å; K25-K29 VanDerWaalsContact O-CB 3.27Å; K25-K29 WeakPolarHBondContact O-CB 3.25Å; K25-K29 PolarHBondContact O-N 3.48Å
26K69Low60.7Low163 Ų163117.5 Ų117.571%0.70963%0.627SS**Hα-helixtrans-70.6-36.6179.6-167.8173.6-179.1177.80112.7I22 L23 Y24I22-K26 VanDerWaalsContact O-CB 3.31Å; I22-K26 WeakPolarHBondContact O-CB 3.41Å; I22-K26 PolarHBondContact O-N 2.89Å; L23-K26 PolarHBondContact O-N 3.39Å; Y24-K26 VanDerWaalsContact C-N 3.3Å; Y24-K26 PolarHBondContact O-N 2.84Å
27V61.9Low58.2Low89 Ų89117.8 Ų117.854%0.53964%0.642SS.*Hα-helixtrans-76.2-36.6178.2172.70000111.3L23 Y24 T31L23-V27 WeakPolarHBondContact O-CB 3.31Å; L23-V27 VanDerWaalsContact O-CG2 3.25Å; L23-V27 WeakPolarHBondContact O-CG2 3.42Å; L23-V27 PolarHBondContact O-N 3.32Å; Y24-V27 PolarHBondContact O-N 3.2Å; V27-T31 PolarHBondContact O-OG1 3.49Å
28H51.3Low56.2Low118 Ų118123 Ų12355%0.54667%0.668SS.*Hα-helixtrans-84.7-10177.8-80.127.6000114.7Y24 G30Y24-H28 AromaticContact CE2-CD2 3.77Å; Y24-H28 AromaticContact CE2-CE1 3.94Å; Y24-H28 AromaticContact CE2-NE2 3.61Å; Y24-H28 AromaticContact CZ-CD2 3.52Å; Y24-H28 AromaticContact CZ-NE2 3.77Å; Y24-H28 WeakPolarHBondContact O-CB 3.27Å; Y24-H28 PolarHBondContact O-N 2.88Å; Y24-H28 PolarHBondContact OH-CD2 3.44Å; H28-G30 PolarHBondContact O-N 3.37Å
29K46.4Very low54Low198 Ų198126 Ų12686%0.86168%0.681SS**THydrogen-bonded Turntrans-80.5-2.1168.3-150.5174.7-173.6-176.10113.2K25K25-K29 VanDerWaalsContact O-CB 3.27Å; K25-K29 WeakPolarHBondContact O-CB 3.25Å; K25-K29 PolarHBondContact O-N 3.48Å
30G42.6Very low52.1Low65 Ų65131 Ų13167%0.6770%0.702SS**SBendtrans-122.99.8-17400000116.4H28H28-G30 PolarHBondContact O-N 3.37Å
31T33.2Very low50.2Low106 Ų106132.1 Ų132.165%0.6571%0.711SS**  trans-13879.2-179-340000111.1V27V27-T31 PolarHBondContact O-OG1 3.49Å
32V34.4Very low48.4Very low152 Ų152137.6 Ų137.692%0.92173%0.731SS**  trans-96.3100.5159.81770000106.4
33S32Very low46.5Very low106 Ų106138 Ų13874%0.74174%0.739SS**  trans-95.9125.3168.7-160.50000108.2N35S33-N35 PolarHBondContact O-N 3.01Å
34K39Very low44.9Very low187 Ų187139.5 Ų139.581%0.81375%0.754SS**  trans-39.1127.6166.4-111.4170.4171174.80111.4
35N32.4Very low43.3Very low162 Ų162140.6 Ų140.687%0.86676%0.764SS**  trans-157.6130.9144.6-89.5-24.5000109.2S33S33-N35 PolarHBondContact O-N 3.01Å
36D39Very low42.2Very low165 Ų165142.5 Ų142.588%0.88278%0.775SS**  trans-64.4126.6-177.4-58.4-53.7000112.1
37A35.3Very low41.5Very low93 Ų93142.1 Ų142.177%0.76978%0.78SS**  trans-170.3128.414700000108.3D39A37-D39 PolarHBondContact O-N 3.13Å; A37-D39 VanDerWaalsContact O-N 3.13Å
38D43.6Very low41.5Very low177 Ų177144.7 Ų144.795%0.94779%0.786SS**  trans-50.6110.5177.6-64.9-46.4000112.1
39D35.1Very low42.9Very low144 Ų144145.1 Ų145.177%0.7779%0.789SS**  trans-150.4106.8156.1-15813.6000106.2A37 S41A37-D39 PolarHBondContact O-N 3.13Å; A37-D39 VanDerWaalsContact O-N 3.13Å; D39-S41 PolarHBondContact O-N 2.78Å
40E42.1Very low45.2Very low196 Ų196138.7 Ų138.792%0.91676%0.762SS**  trans-67.174.6172.4-77.1178.7156.900108.5E42E40-E42 PolarHBondContact O-N 3.19Å
41S38.9Very low47.8Very low96 Ų96135.6 Ų135.667%0.67173%0.73SS**  trans-79.393.8161.672.20000106.8D39 T43D39-S41 PolarHBondContact O-N 2.78Å; S41-T43 PolarHBondContact O-N 2.93Å
42E40Very low50.9Low186 Ų186130.6 Ų130.687%0.86970%0.699SS**  trans-46.2109.4161.7-73.6178167.600107.5E40E40-E42 PolarHBondContact O-N 3.19Å
43T37.2Very low54Low113 Ų113123.3 Ų123.369%0.69366%0.655SS**  trans-50.3131159.942.20000106.3S41 E45S41-T43 PolarHBondContact O-N 2.93Å; T43-E45 PolarHBondContact O-N 2.79Å
44P41.8Very low57.2Low122 Ų122118.3 Ų118.379%0.79262%0.62SS**  trans-58.5109.8174.816.9-17.9000105.6E46P44-E46 PolarHBondContact O-N 3.5Å
45E44.8Very low60Low165 Ų165109.4 Ų109.477%0.77158%0.581SS**  trans-47.6117.4166.6-73.9179.3160.600104.4T43 L47T43-E45 PolarHBondContact O-N 2.79Å; E45-L47 PolarHBondContact O-N 2.93Å
46E46.3Very low63.1Low189 Ų189102 Ų10288%0.88354%0.542SS*.  trans-56.997.5161.4-78.1-177.4162.500103.5P44 E48P44-E46 PolarHBondContact O-N 3.5Å; E46-E48 PolarHBondContact O-N 3.33Å
47L54.2Low65.9Low155 Ų15594.1 Ų94.181%0.81250%0.5SS*.  trans-51.3109.1178-77.3164.6000105.2E45 E49E45-L47 PolarHBondContact O-N 2.93Å; L47-E49 PolarHBondContact O-N 2.92Å
48E61.6Low68.7Low143 Ų14390.6 Ų90.667%0.66847%0.471SS*.  trans-50.5122.1176.9-76.1-176.1167.900107E46 E50 N79E46-E48 PolarHBondContact O-N 3.33Å; E48-E50 VanDerWaalsContact C-N 3.35Å; E48-E50 PolarHBondContact O-N 2.7Å; E48-N79 HydrophobicContact CB-CB 4.18Å
49E81.7Confident70.9Confident127 Ų12784.4 Ų84.459%0.59344%0.444SS*.  trans-63.399.8-176.1-172.1174.3179.400108.1L47 I51 Y169L47-E49 PolarHBondContact O-N 2.92Å; E49-I51 PolarHBondContact O-N 3.41Å; E49-Y169 HydrophobicContact CG-CE1 4.48Å; E49-Y169 WeakPolarHBondContact OE1-CE1 3.45Å
50E93.6Very high73.6Confident63 Ų6380.4 Ų80.429%0.29444%0.437SS..  trans-61.8119.4178.8-176.5-176.2-117.600108.8E48 P52 N79 L81 H149E48-E50 VanDerWaalsContact C-N 3.35Å; E48-E50 PolarHBondContact O-N 2.7Å; E50-P52 WeakPolarHBondContact O-CD 3.41Å; E50-N79 CarbonylContact C-O 3.54Å; E50-N79 WeakPolarHBondContact CA-O 3.43Å; E50-L81 HydrophobicContact CG-CB 3.52Å; E50-L81 WeakPolarHBondContact OE1-CB 3.5Å; E50-L81 WeakPolarHBondContact OE2-CD2 3.38Å; E50-H149 IonicContact OE2-CE1 3.94Å; E50-H149 PolarHBondContact OE2-CE1 3.03Å; E50-H149 VanDerWaalsContact OE2-CE1 3.22Å; E50-H149 IonicContact OE2-NE2 3.75Å
51I97.9Very high76Confident1 Ų174.3 Ų74.31%0.00541%0.405CS..EExtended strand (participates in β ladder)trans-87.4108.7179.5-60.5-176.5000109.3E49 V53 A78 N79 I80 L81 I153 Q166 Y169E49-I51 PolarHBondContact O-N 3.41Å; I51-V53 HydrophobicContact CG2-CG2 4.2Å; I51-V53 PolarHBondContact O-N 3.35Å; I51-A78 HydrophobicContact CD1-CB 3.77Å; I51-N79 PolarHBondContact N-O 3.35Å; I51-I80 WeakPolarHBondContact O-CA 3.5Å; I51-L81 PolarHBondContact O-N 2.85Å; I51-I153 HydrophobicContact CG2-CD1 4.14Å; I51-Q166 HydrophobicContact CD1-CB 3.9Å; I51-Q166 HydrophobicContact CD1-CG 4.12Å; I51-Y169 HydrophobicContact CD1-CD1 4.33Å; I51-Y169 HydrophobicContact CD1-CG 4.26Å; I51-Y169 HydrophobicContact CG1-CD1 4.12Å; I51-Y169 HydrophobicContact CG1-CE1 4.47Å; I51-Y169 HydrophobicContact CG1-CG 4.19Å; I51-Y169 HydrophobicContact CG2-CD2 3.67Å; I51-Y169 HydrophobicContact CG2-CE2 4.2Å; I51-Y169 HydrophobicContact CG2-CG 3.89Å
52P98.5Very high78.7Confident0 Ų069.8 Ų69.80%037%0.373CS..EExtended strand (participates in β ladder)trans-81.2118.3178.732.3-36.7000111.3E50 L81 Y83 H149 K151 V152 I153 Y169E50-P52 WeakPolarHBondContact O-CD 3.41Å; P52-L81 WeakPolarHBondContact CA-O 3.43Å; P52-Y83 HydrophobicContact CB-CD2 4.11Å; P52-Y83 HydrophobicContact CB-CE2 3.88Å; P52-H149 HydrophobicContact CB-CB 4.34Å; P52-H149 HydrophobicContact CG-CB 3.75Å; P52-K151 WeakPolarHBondContact CG-O 3.32Å; P52-V152 HydrophobicContact CB-CB 4.41Å; P52-V152 HydrophobicContact CB-CG1 4.03Å; P52-V152 HydrophobicContact CG-CB 4.01Å; P52-V152 HydrophobicContact CG-CG1 3.66Å; P52-I153 PolarHBondContact O-N 2.97Å; P52-Y169 HydrophobicContact CG-CE2 4.45Å
53V98.8Very high81.4Confident0 Ų060.9 Ų60.90%033%0.332CS..EExtended strand (participates in β ladder)trans-111.8118.8176.5-179.20000109.8I51 I72 I80 L81 F82 Y83 I153 L155 I165I51-V53 HydrophobicContact CG2-CG2 4.2Å; I51-V53 PolarHBondContact O-N 3.35Å; V53-I72 HydrophobicContact CG1-CD1 4.21Å; V53-I80 HydrophobicContact CB-CG2 4.25Å; V53-I80 HydrophobicContact CG2-CG2 3.83Å; V53-L81 PolarHBondContact N-O 2.74Å; V53-F82 HydrophobicContact CB-CD1 4.03Å; V53-F82 HydrophobicContact CB-CE1 4.22Å; V53-F82 HydrophobicContact CG1-CD1 4.2Å; V53-F82 HydrophobicContact CG1-CE1 4.24Å; V53-F82 CarbonylContact O-C 3.59Å; V53-F82 WeakPolarHBondContact O-CA 3.3Å; V53-Y83 PolarHBondContact O-N 3.22Å; V53-I153 CarbonylContact C-O 3.54Å; V53-I153 HydrophobicContact CG2-CB 4.45Å; V53-L155 HydrophobicContact CG1-CD1 4.12Å; V53-I165 HydrophobicContact CG2-CG1 4.43Å
54V98.9Very high84.3Confident0 Ų055.5 Ų55.50%030%0.299CS..EExtended strand (participates in β ladder)trans-98.6123.1179.6-171.50000109.7Y83 V85 L142 I146 V152 I153 Y154 L155V54-Y83 WeakPolarHBondContact CA-O 3.37Å; V54-V85 HydrophobicContact CG1-CG2 3.72Å; V54-L142 HydrophobicContact CB-CD2 4.24Å; V54-L142 HydrophobicContact CG1-CD2 3.91Å; V54-L142 HydrophobicContact CG2-CD2 4.29Å; V54-I146 HydrophobicContact CG2-CG1 4Å; V54-V152 HydrophobicContact CG2-CB 4.33Å; V54-V152 HydrophobicContact CG2-CG2 4.25Å; V54-I153 PolarHBondContact N-O 3.24Å; V54-Y154 HydrophobicContact CB-CD2 4.15Å; V54-Y154 HydrophobicContact CG1-CD2 4.04Å; V54-Y154 WeakPolarHBondContact O-CA 3.3Å; V54-L155 PolarHBondContact O-N 2.83Å; V54-L155 VanDerWaalsContact O-N 3.07Å
55I98.6Very high87Confident0 Ų049.7 Ų49.70%026%0.261CS..EExtended strand (participates in β ladder)trans-138.3143.2177.9-164172.8000110.8T65 A68 I69 Y83 V84 V85 D157I55-T65 HydrophobicContact CB-CG2 4.47Å; I55-T65 HydrophobicContact CD1-CG2 3.91Å; I55-T65 HydrophobicContact CG1-CG2 3.98Å; I55-T65 HydrophobicContact CG2-CG2 3.78Å; I55-A68 HydrophobicContact CD1-CB 3.5Å; I55-I69 HydrophobicContact CD1-CG1 4.39Å; I55-I69 HydrophobicContact CG2-CD1 3.95Å; I55-I69 HydrophobicContact CG2-CG1 3.96Å; I55-Y83 PolarHBondContact N-O 2.98Å; I55-V84 HydrophobicContact CG2-CG2 4.31Å; I55-V84 WeakPolarHBondContact O-CA 3.44Å; I55-V85 PolarHBondContact O-N 2.81Å; I55-D157 HydrophobicContact CG1-CB 4.43Å
56C98.3Very high89.5Confident7 Ų741.9 Ų41.95%0.04723%0.225CC..EExtended strand (participates in β ladder)trans-92.5145.6-179.8-660000111.7T65 V85 L135C56-T65 WeakPolarHBondContact O-CG2 3.47Å; C56-T65 PolarHBondContact O-OG1 2.88Å; C56-V85 CarbonylContact C-O 3.56Å; C56-V85 WeakPolarHBondContact CA-O 3.21Å; C56-L135 HydrophobicContact CB-CB 4.06Å; C56-L135 HydrophobicContact CB-CD1 4.29Å
57A97Very high92Very high0 Ų032.9 Ų32.90%018%0.183CC..  trans-123.376.8178.100000111.4M62 T65 V84 V85 I94A57-M62 HydrophobicContact CB-CE 4.48Å; A57-M62 HydrophobicContact CB-CG 4.46Å; A57-T65 WeakPolarHBondContact CA-OG1 3.37Å; A57-T65 HydrophobicContact CB-CG2 4.03Å; A57-V84 HydrophobicContact CB-CG1 3.77Å; A57-V85 PolarHBondContact N-O 2.9Å; A57-I94 HydrophobicContact CB-CD1 3.53Å; A57-I94 HydrophobicContact CB-CG1 3.72Å
58A93.2Very high94.1Very high18 Ų1825.5 Ų25.515%0.14914%0.144CC..  trans-65.9144.4173.800000110.8G60 R61 M62 L135A58-G60 PolarHBondContact O-N 3.22Å; A58-G60 VanDerWaalsContact O-N 3.08Å; A58-R61 HydrophobicContact CB-CB 4.22Å; A58-R61 CarbonylContact O-C 3.59Å; A58-R61 PolarHBondContact O-N 3.48Å; A58-M62 PolarHBondContact O-N 3.05Å; A58-L135 HydrophobicContact CB-CD1 3.97Å
59A90.9Very high95.9Very high48 Ų4818.7 Ų18.740%0.39711%0.112SC..THydrogen-bonded Turntrans-53-37.9-173.500000114.4T90 R93A59-T90 HydrophobicContact CB-CG2 3.67Å; A59-R93 PolarHBondContact O-NH1 2.75Å
60G90.8Very high96.7Very high59 Ų5912.9 Ų12.961%0.6089%0.085SC*.THydrogen-bonded Turntrans-90.7-6.2178.400000115A58A58-G60 PolarHBondContact O-N 3.22Å; A58-G60 VanDerWaalsContact O-N 3.08Å
61R92.8Very high97Very high69 Ų699.9 Ų9.926%0.267%0.071SC..THydrogen-bonded Turntrans-121.510.3-178.4-61.2176.960.2154.1-1.5112.8A58 G63 A64 T65 D157 D158 W321A58-R61 HydrophobicContact CB-CB 4.22Å; A58-R61 CarbonylContact O-C 3.59Å; A58-R61 PolarHBondContact O-N 3.48Å; R61-G63 PolarHBondContact O-N 3.05Å; R61-A64 HydrophobicContact CB-CB 4.48Å; R61-A64 WeakPolarHBondContact O-CA 3.47Å; R61-A64 WeakPolarHBondContact O-CB 3.15Å; R61-A64 PolarHBondContact O-N 3.44Å; R61-T65 PolarHBondContact O-N 3.38Å; R61-T65 PolarHBondContact O-OG1 3.4Å; R61-D157 IonicContact CZ-OD1 3.75Å; R61-D157 IonicContact CZ-OD2 3.82Å; R61-D157 VanDerWaalsContact NE-CG 3.3Å; R61-D157 IonicContact NE-OD1 3.09Å; R61-D157 PolarHBondContact NE-OD1 3.03Å; R61-D157 IonicContact NE-OD2 3.96Å; R61-D157 PolarHBondContact NE-OD2 2.94Å; R61-D157 IonicContact NH2-OD1 3.97Å; R61-D157 PolarHBondContact NH2-OD1 3.03Å; R61-D157 IonicContact NH2-OD2 2.84Å; R61-D158 IonicContact CZ-OD2 2.6Å; R61-D158 IonicContact NH1-OD2 2.75Å; R61-D158 IonicContact NH2-OD1 3.05Å; R61-D158 PolarHBondContact NH2-OD1 2.95Å; R61-D158 IonicContact NH2-OD2 2.72Å; R61-D158 PolarHBondContact NH2-OD2 3.22Å; R61-W321 HydrophobicContact CG-CZ2 4.44Å
62M95.7Very high97Very high0 Ų09.9 Ų9.90%07%0.071CC..Hα-helixtrans-60.8-33.3-174.5-171172.9-60.200112.7A57 A58 A64 T65 M66 R93 I94 W97A57-M62 HydrophobicContact CB-CE 4.48Å; A57-M62 HydrophobicContact CB-CG 4.46Å; A58-M62 PolarHBondContact O-N 3.05Å; M62-A64 PolarHBondContact O-N 2.88Å; M62-T65 WeakPolarHBondContact O-CB 3.28Å; M62-T65 PolarHBondContact O-N 3.45Å; M62-M66 HydrophobicContact CG-CE 3.65Å; M62-M66 WeakPolarHBondContact O-CG 3.49Å; M62-M66 PolarHBondContact O-N 3.2Å; M62-M66 HydrophobicContact SD-CE 4.23Å; M62-R93 HydrophobicContact CE-CB 4.15Å; M62-R93 HydrophobicContact CE-CG 4.2Å; M62-R93 HydrophobicContact SD-CB 4.16Å; M62-R93 HydrophobicContact SD-CG 3.73Å; M62-I94 HydrophobicContact CE-CD1 4.34Å; M62-I94 HydrophobicContact CE-CG1 3.42Å; M62-I94 VanDerWaalsContact CE-CG1 3.42Å; M62-I94 HydrophobicContact SD-CG1 3.94Å; M62-W97 HydrophobicContact CB-CE3 4.16Å; M62-W97 HydrophobicContact CB-CH2 4.39Å; M62-W97 HydrophobicContact CB-CZ3 3.66Å; M62-W97 HydrophobicContact CG-CD2 4.43Å; M62-W97 HydrophobicContact CG-CE3 3.57Å; M62-W97 HydrophobicContact CG-CZ3 3.62Å; M62-W97 HydrophobicContact SD-CE3 3.52Å; M62-W97 VanDerWaalsContact SD-CE3 3.52Å; M62-W97 HydrophobicContact SD-CZ3 3.95Å
63G97.1Very high97Very high0 Ų014.5 Ų14.50%09%0.089CC..Hα-helixtrans-64.3-28.2173.400000113.2R61 M66 A67 W97R61-G63 PolarHBondContact O-N 3.05Å; G63-M66 PolarHBondContact O-N 3.31Å; G63-A67 PolarHBondContact O-N 3.06Å; G63-W97 VanDerWaalsContact N-CH2 3.3Å
64A97.4Very high97Very high0 Ų017.4 Ų17.40%011%0.11CC..Hα-helixtrans-70.3-45.2172.800000112.4R61 M62 M66 A67 A68 D157 W321 W331R61-A64 HydrophobicContact CB-CB 4.48Å; R61-A64 WeakPolarHBondContact O-CA 3.47Å; R61-A64 WeakPolarHBondContact O-CB 3.15Å; R61-A64 PolarHBondContact O-N 3.44Å; M62-A64 PolarHBondContact O-N 2.88Å; A64-M66 VanDerWaalsContact C-N 3.27Å; A64-M66 PolarHBondContact O-N 2.71Å; A64-A67 PolarHBondContact O-N 3.12Å; A64-A67 VanDerWaalsContact O-N 3.17Å; A64-A68 PolarHBondContact O-N 3.2Å; A64-D157 CarbonylContact C-O 3.6Å; A64-D157 VanDerWaalsContact CB-O 3.26Å; A64-D157 WeakPolarHBondContact CB-O 3.48Å; A64-W321 HydrophobicContact CB-CD2 4.47Å; A64-W321 HydrophobicContact CB-CE3 3.94Å; A64-W321 HydrophobicContact CB-CH2 3.38Å; A64-W321 HydrophobicContact CB-CZ2 4.02Å; A64-W321 HydrophobicContact CB-CZ3 3.38Å; A64-W331 VanDerWaalsContact CA-CZ2 3.49Å; A64-W331 HydrophobicContact CB-CH2 3.73Å; A64-W331 HydrophobicContact CB-CZ2 3.66Å
65T98.4Very high97Very high0 Ų019.9 Ų19.90%012%0.123CC..Hα-helixtrans-53.5-45.5170-44.90000111.9I55 C56 A57 R61 M62 A68 I69 V84I55-T65 HydrophobicContact CB-CG2 4.47Å; I55-T65 HydrophobicContact CD1-CG2 3.91Å; I55-T65 HydrophobicContact CG1-CG2 3.98Å; I55-T65 HydrophobicContact CG2-CG2 3.78Å; C56-T65 WeakPolarHBondContact O-CG2 3.47Å; C56-T65 PolarHBondContact O-OG1 2.88Å; A57-T65 WeakPolarHBondContact CA-OG1 3.37Å; A57-T65 HydrophobicContact CB-CG2 4.03Å; R61-T65 PolarHBondContact O-N 3.38Å; R61-T65 PolarHBondContact O-OG1 3.4Å; M62-T65 WeakPolarHBondContact O-CB 3.28Å; M62-T65 PolarHBondContact O-N 3.45Å; T65-A68 PolarHBondContact O-N 3.49Å; T65-I69 HydrophobicContact CG2-CD1 3.88Å; T65-I69 HydrophobicContact CG2-CG1 4.46Å; T65-I69 WeakPolarHBondContact O-CB 3.44Å; T65-I69 VanDerWaalsContact O-CG1 3.27Å; T65-I69 WeakPolarHBondContact O-CG1 3.45Å; T65-I69 PolarHBondContact O-N 3.3Å; T65-V84 HydrophobicContact CG2-CG1 4.21Å
66M98.6Very high96.9Very high0 Ų020.8 Ų20.80%013%0.128CC..Hα-helixtrans-68.8-36.2-178.6-58.8-53.1159.300112.3M62 G63 A64 I69 N70 I94 W97 I98 L103 V336M62-M66 HydrophobicContact CG-CE 3.65Å; M62-M66 WeakPolarHBondContact O-CG 3.49Å; M62-M66 PolarHBondContact O-N 3.2Å; M62-M66 HydrophobicContact SD-CE 4.23Å; G63-M66 PolarHBondContact O-N 3.31Å; A64-M66 VanDerWaalsContact C-N 3.27Å; A64-M66 PolarHBondContact O-N 2.71Å; M66-I69 HydrophobicContact SD-CD1 4.44Å; M66-N70 WeakPolarHBondContact O-CB 3.44Å; M66-N70 PolarHBondContact O-N 3.26Å; M66-I94 HydrophobicContact CE-CG2 4.45Å; M66-W97 HydrophobicContact CE-CB 3.94Å; M66-W97 HydrophobicContact CE-CD2 4.35Å; M66-W97 HydrophobicContact CE-CG 4.09Å; M66-W97 HydrophobicContact CG-CD2 3.89Å; M66-W97 HydrophobicContact CG-CG 3.94Å; M66-W97 HydrophobicContact CG-CZ2 4.21Å; M66-W97 HydrophobicContact SD-CG 4.34Å; M66-I98 HydrophobicContact CE-CG1 4.07Å; M66-I98 HydrophobicContact SD-CG1 3.86Å; M66-L103 HydrophobicContact CB-CD1 4.06Å; M66-L103 HydrophobicContact CG-CD1 4.44Å; M66-L103 HydrophobicContact SD-CD1 3.86Å; M66-V336 HydrophobicContact CB-CB 3.84Å; M66-V336 HydrophobicContact CB-CG1 4.49Å; M66-V336 HydrophobicContact CB-CG2 4.06Å
67A98.5Very high96.8Very high0 Ų028.7 Ų28.70%017%0.17CC..Hα-helixtrans-64.8-45.6174.200000111.6G63 A64 N70 S71 I160 W331 W334G63-A67 PolarHBondContact O-N 3.06Å; A64-A67 PolarHBondContact O-N 3.12Å; A64-A67 VanDerWaalsContact O-N 3.17Å; A67-N70 PolarHBondContact O-N 3.3Å; A67-S71 PolarHBondContact O-N 3.46Å; A67-I160 HydrophobicContact CB-CD1 4.4Å; A67-W331 HydrophobicContact CB-CD2 4.48Å; A67-W331 HydrophobicContact CB-CH2 4.15Å; A67-W331 HydrophobicContact CB-CZ2 3.72Å; A67-W334 WeakPolarHBondContact CA-O 3.31Å; A67-W334 HydrophobicContact CB-CB 4.46Å
68A98.8Very high96.8Very high0 Ų029.6 Ų29.60%018%0.178CC..Hα-helixtrans-60.1-50.6175.800000111.7I55 A64 T65 N70 S71 I72 V159I55-A68 HydrophobicContact CD1-CB 3.5Å; A64-A68 PolarHBondContact O-N 3.2Å; T65-A68 PolarHBondContact O-N 3.49Å; A68-N70 VanDerWaalsContact C-N 3.31Å; A68-N70 PolarHBondContact O-N 3Å; A68-S71 PolarHBondContact O-N 2.82Å; A68-S71 PolarHBondContact O-OG 3.27Å; A68-I72 WeakPolarHBondContact O-CD1 3.33Å; A68-I72 VanDerWaalsContact O-CG1 3.29Å; A68-I72 WeakPolarHBondContact O-CG1 3.46Å; A68-I72 PolarHBondContact O-N 3.4Å; A68-V159 HydrophobicContact CB-CG2 4.08Å; A68-V159 WeakPolarHBondContact CB-O 3.36Å
69I98.9Very high97Very high0 Ų031 Ų310%018%0.183CC..Hα-helixtrans-55.6-46.7175.4-71.4170.3000110.9I55 T65 M66 S71 I72 Y73 F82 V84 L103 I106I55-I69 HydrophobicContact CD1-CG1 4.39Å; I55-I69 HydrophobicContact CG2-CD1 3.95Å; I55-I69 HydrophobicContact CG2-CG1 3.96Å; T65-I69 HydrophobicContact CG2-CD1 3.88Å; T65-I69 HydrophobicContact CG2-CG1 4.46Å; T65-I69 WeakPolarHBondContact O-CB 3.44Å; T65-I69 VanDerWaalsContact O-CG1 3.27Å; T65-I69 WeakPolarHBondContact O-CG1 3.45Å; T65-I69 PolarHBondContact O-N 3.3Å; M66-I69 HydrophobicContact SD-CD1 4.44Å; I69-S71 VanDerWaalsContact C-N 3.34Å; I69-S71 PolarHBondContact O-N 3.02Å; I69-I72 PolarHBondContact O-N 2.96Å; I69-Y73 WeakPolarHBondContact O-CB 3.2Å; I69-Y73 PolarHBondContact O-N 3.02Å; I69-F82 HydrophobicContact CB-CE1 4.4Å; I69-F82 HydrophobicContact CG1-CD1 4.04Å; I69-F82 HydrophobicContact CG1-CE1 4.2Å; I69-F82 HydrophobicContact CG2-CD1 4.33Å; I69-F82 HydrophobicContact CG2-CD2 4.3Å; I69-F82 HydrophobicContact CG2-CE1 4.13Å; I69-F82 HydrophobicContact CG2-CE2 4.09Å; I69-F82 HydrophobicContact CG2-CG 4.41Å; I69-F82 HydrophobicContact CG2-CZ 3.99Å; I69-V84 HydrophobicContact CD1-CG2 3.84Å; I69-L103 HydrophobicContact CB-CD1 4.39Å; I69-L103 HydrophobicContact CG2-CD1 3.99Å; I69-L103 HydrophobicContact CG2-CD2 4.12Å; I69-I106 HydrophobicContact CG2-CD1 3.61Å
70N98.8Very high97.3Very high5 Ų529.1 Ų29.13%0.02717%0.166CC..Hα-helixtrans-62.6-40.5-179.9-176.457.7000112.3M66 A67 A68 S74 K102 L103 W334 V336M66-N70 WeakPolarHBondContact O-CB 3.44Å; M66-N70 PolarHBondContact O-N 3.26Å; A67-N70 PolarHBondContact O-N 3.3Å; A68-N70 VanDerWaalsContact C-N 3.31Å; A68-N70 PolarHBondContact O-N 3Å; N70-S74 VanDerWaalsContact O-CB 3.27Å; N70-S74 WeakPolarHBondContact O-CB 3.42Å; N70-S74 PolarHBondContact O-N 3.14Å; N70-S74 VanDerWaalsContact O-N 3.09Å; N70-S74 PolarHBondContact O-OG 3.12Å; N70-K102 VanDerWaalsContact CG-CE 3.4Å; N70-K102 VanDerWaalsContact ND2-CE 3.31Å; N70-K102 WeakPolarHBondContact ND2-CE 3.37Å; N70-K102 PolarHBondContact ND2-NZ 3.47Å; N70-K102 WeakPolarHBondContact OD1-CE 3.48Å; N70-K102 PolarHBondContact OD1-NZ 2.89Å; N70-L103 HydrophobicContact CB-CD2 3.9Å; N70-W334 PolarHBondContact ND2-O 3.3Å; N70-V336 HydrophobicContact CB-CG2 3.68Å
71S98.8Very high97.7Very high0 Ų026.5 Ų26.50%014%0.138CC..Hα-helixtrans-65-38.617673.50000112.5A67 A68 I69 N75 V161A67-S71 PolarHBondContact O-N 3.46Å; A68-S71 PolarHBondContact O-N 2.82Å; A68-S71 PolarHBondContact O-OG 3.27Å; I69-S71 VanDerWaalsContact C-N 3.34Å; I69-S71 PolarHBondContact O-N 3.02Å; S71-N75 WeakPolarHBondContact O-CB 3.12Å; S71-N75 PolarHBondContact O-N 2.81Å; S71-N75 PolarHBondContact O-ND2 3.03Å; S71-V161 WeakPolarHBondContact CB-O 3.46Å; S71-V161 PolarHBondContact OG-N 2.85Å
72I98.8Very high98Very high1 Ų123.2 Ų23.21%0.00513%0.126CC..Hα-helixtrans-68-53.7177.4-63.8157.1000110V53 A68 I69 S74 N75 T76 I80 F82 L155 V161 I165V53-I72 HydrophobicContact CG1-CD1 4.21Å; A68-I72 WeakPolarHBondContact O-CD1 3.33Å; A68-I72 VanDerWaalsContact O-CG1 3.29Å; A68-I72 WeakPolarHBondContact O-CG1 3.46Å; A68-I72 PolarHBondContact O-N 3.4Å; I69-I72 PolarHBondContact O-N 2.96Å; I72-S74 VanDerWaalsContact C-N 3.27Å; I72-S74 PolarHBondContact O-N 3.24Å; I72-N75 PolarHBondContact O-N 3.23Å; I72-T76 WeakPolarHBondContact O-CG2 3.09Å; I72-I80 HydrophobicContact CG2-CD1 3.68Å; I72-F82 HydrophobicContact CB-CE1 4.1Å; I72-F82 HydrophobicContact CB-CZ 4.06Å; I72-F82 HydrophobicContact CD1-CE1 4.07Å; I72-F82 HydrophobicContact CG2-CE1 3.9Å; I72-F82 HydrophobicContact CG2-CZ 3.81Å; I72-L155 HydrophobicContact CD1-CD1 3.5Å; I72-L155 HydrophobicContact CG1-CD1 4.27Å; I72-V161 HydrophobicContact CD1-CG2 4.23Å; I72-V161 HydrophobicContact CG1-CB 3.73Å; I72-V161 HydrophobicContact CG1-CG1 4.32Å; I72-V161 HydrophobicContact CG1-CG2 3.51Å; I72-I165 HydrophobicContact CG2-CB 4.17Å; I72-I165 HydrophobicContact CG2-CG1 4.18Å; I72-I165 HydrophobicContact CG2-CG2 4.16Å
73Y98.4Very high98.1Very high97 Ų9723.4 Ų23.438%0.3813%0.127SC..Hα-helixtrans-62.8-31.9-175179.9-102.8000113.2I69 F82 I106I69-Y73 WeakPolarHBondContact O-CB 3.2Å; I69-Y73 PolarHBondContact O-N 3.02Å; Y73-F82 HydrophobicContact CD2-CE2 4.4Å; Y73-I106 HydrophobicContact CD1-CG2 3.97Å; Y73-I106 HydrophobicContact CD2-CB 4.32Å; Y73-I106 HydrophobicContact CD2-CG2 3.65Å; Y73-I106 HydrophobicContact CE1-CG2 4.2Å; Y73-I106 HydrophobicContact CE2-CB 4.41Å; Y73-I106 HydrophobicContact CE2-CG2 3.88Å; Y73-I106 HydrophobicContact CG-CG2 3.68Å
74S98.3Very high98.2Very high62 Ų6223.4 Ų23.443%0.43413%0.127SC..Hα-helixtrans-85.9-13.9-176.7-52.80000114.2N70 I72 W334N70-S74 VanDerWaalsContact O-CB 3.27Å; N70-S74 WeakPolarHBondContact O-CB 3.42Å; N70-S74 PolarHBondContact O-N 3.14Å; N70-S74 VanDerWaalsContact O-N 3.09Å; N70-S74 PolarHBondContact O-OG 3.12Å; I72-S74 VanDerWaalsContact C-N 3.27Å; I72-S74 PolarHBondContact O-N 3.24Å; S74-W334 VanDerWaalsContact CB-CZ3 3.46Å
75N98.3Very high98.3Very high52 Ų5223.4 Ų23.428%0.27813%0.127SC..THydrogen-bonded Turntrans-111.119-173.9-70.7-50.6000113.1S71 I72 V161 D164 W334S71-N75 WeakPolarHBondContact O-CB 3.12Å; S71-N75 PolarHBondContact O-N 2.81Å; S71-N75 PolarHBondContact O-ND2 3.03Å; I72-N75 PolarHBondContact O-N 3.23Å; N75-V161 PolarHBondContact ND2-O 3.04Å; N75-D164 WeakPolarHBondContact O-CA 3.27Å; N75-W334 WeakPolarHBondContact ND2-CH2 3.2Å; N75-W334 WeakPolarHBondContact ND2-CZ2 3.35Å
76T97.8Very high98.2Very high18 Ų1823.4 Ų23.411%0.1113%0.127CC..  trans-151.4147.5179.3-175.20000110.7I72 A78 I80 D164 I165I72-T76 WeakPolarHBondContact O-CG2 3.09Å; T76-A78 VanDerWaalsContact OG1-CB 3.29Å; T76-A78 WeakPolarHBondContact OG1-CB 3.22Å; T76-A78 PolarHBondContact OG1-N 3.28Å; T76-I80 HydrophobicContact CG2-CD1 3.28Å; T76-I80 HydrophobicContact CG2-CG1 4.23Å; T76-D164 VanDerWaalsContact CB-OD1 3.29Å; T76-D164 WeakPolarHBondContact CB-OD1 3.44Å; T76-D164 PolarHBondContact OG1-OD1 3.03Å; T76-I165 HydrophobicContact CG2-CG2 3.93Å
77D96.4Very high98.2Very high173 Ų17325.3 Ų25.393%0.92514%0.137SC*.  trans-95.7-0.5169.5-65.5-42.4000111.6
78A96.4Very high98.1Very high20 Ų2034.3 Ų34.317%0.16517%0.17CC..SBendtrans-69.3145.7-179.400000112.1I51 T76 I80 Q166I51-A78 HydrophobicContact CD1-CB 3.77Å; T76-A78 VanDerWaalsContact OG1-CB 3.29Å; T76-A78 WeakPolarHBondContact OG1-CB 3.22Å; T76-A78 PolarHBondContact OG1-N 3.28Å; A78-I80 PolarHBondContact O-N 2.97Å; A78-I80 VanDerWaalsContact O-N 3.08Å; A78-Q166 HydrophobicContact CB-CB 4.21Å
79N96.9Very high98Very high46 Ų4640.6 Ų40.625%0.24620%0.204CC..  trans-70.3104.2173.5-177.316.5000110.5E48 E50 I51 N107E48-N79 HydrophobicContact CB-CB 4.18Å; E50-N79 CarbonylContact C-O 3.54Å; E50-N79 WeakPolarHBondContact CA-O 3.43Å; I51-N79 PolarHBondContact N-O 3.35Å; N79-N107 PolarHBondContact OD1-ND2 3.3Å
80I98Very high97.8Very high9 Ų941 Ų415%0.04621%0.206CC..EExtended strand (participates in β ladder)trans-102.5138.8-178.8-60.7156.9000110.9I51 V53 I72 T76 A78 F82 N107 I165I51-I80 WeakPolarHBondContact O-CA 3.5Å; V53-I80 HydrophobicContact CB-CG2 4.25Å; V53-I80 HydrophobicContact CG2-CG2 3.83Å; I72-I80 HydrophobicContact CG2-CD1 3.68Å; T76-I80 HydrophobicContact CG2-CD1 3.28Å; T76-I80 HydrophobicContact CG2-CG1 4.23Å; A78-I80 PolarHBondContact O-N 2.97Å; A78-I80 VanDerWaalsContact O-N 3.08Å; I80-F82 HydrophobicContact CB-CE2 4.17Å; I80-F82 HydrophobicContact CB-CZ 4.39Å; I80-F82 HydrophobicContact CD1-CE2 4.47Å; I80-F82 HydrophobicContact CD1-CZ 4.14Å; I80-F82 HydrophobicContact CG2-CD1 4.14Å; I80-F82 HydrophobicContact CG2-CD2 3.86Å; I80-F82 HydrophobicContact CG2-CE1 3.89Å; I80-F82 HydrophobicContact CG2-CE2 3.59Å; I80-F82 HydrophobicContact CG2-CG 4.13Å; I80-F82 HydrophobicContact CG2-CZ 3.62Å; I80-N107 WeakPolarHBondContact O-CB 3.43Å; I80-I165 HydrophobicContact CD1-CG2 4.02Å; I80-I165 HydrophobicContact CG1-CG2 4.16Å
81L98.4Very high97.8Very high5 Ų542.5 Ų42.53%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-111.9115.1161.8176.364.4000111.4E50 I51 P52 V53 Y83 N107 K109E50-L81 HydrophobicContact CG-CB 3.52Å; E50-L81 WeakPolarHBondContact OE1-CB 3.5Å; E50-L81 WeakPolarHBondContact OE2-CD2 3.38Å; I51-L81 PolarHBondContact O-N 2.85Å; P52-L81 WeakPolarHBondContact CA-O 3.43Å; V53-L81 PolarHBondContact N-O 2.74Å; L81-Y83 HydrophobicContact CD2-CD2 4.35Å; L81-Y83 HydrophobicContact CD2-CE2 3.48Å; L81-Y83 VanDerWaalsContact CD2-CE2 3.48Å; L81-Y83 HydrophobicContact CG-CD2 4.27Å; L81-Y83 HydrophobicContact CG-CE2 3.86Å; L81-N107 HydrophobicContact CD1-CB 4.21Å; L81-K109 HydrophobicContact CD1-CD 4.36Å; L81-K109 HydrophobicContact CD1-CG 4.21Å; L81-K109 HydrophobicContact CD2-CD 3.98Å; L81-K109 VanDerWaalsContact CD2-NZ 3.28Å
82F98.8Very high97.7Very high0 Ų047 Ų470%024%0.242CC..EExtended strand (participates in β ladder)trans-83.1122.2176-66.4-79.3000111.8V53 I69 I72 Y73 I80 V84 I106 N107 F108 K109V53-F82 HydrophobicContact CB-CD1 4.03Å; V53-F82 HydrophobicContact CB-CE1 4.22Å; V53-F82 HydrophobicContact CG1-CD1 4.2Å; V53-F82 HydrophobicContact CG1-CE1 4.24Å; V53-F82 CarbonylContact O-C 3.59Å; V53-F82 WeakPolarHBondContact O-CA 3.3Å; I69-F82 HydrophobicContact CB-CE1 4.4Å; I69-F82 HydrophobicContact CG1-CD1 4.04Å; I69-F82 HydrophobicContact CG1-CE1 4.2Å; I69-F82 HydrophobicContact CG2-CD1 4.33Å; I69-F82 HydrophobicContact CG2-CD2 4.3Å; I69-F82 HydrophobicContact CG2-CE1 4.13Å; I69-F82 HydrophobicContact CG2-CE2 4.09Å; I69-F82 HydrophobicContact CG2-CG 4.41Å; I69-F82 HydrophobicContact CG2-CZ 3.99Å; I72-F82 HydrophobicContact CB-CE1 4.1Å; I72-F82 HydrophobicContact CB-CZ 4.06Å; I72-F82 HydrophobicContact CD1-CE1 4.07Å; I72-F82 HydrophobicContact CG2-CE1 3.9Å; I72-F82 HydrophobicContact CG2-CZ 3.81Å; Y73-F82 HydrophobicContact CD2-CE2 4.4Å; I80-F82 HydrophobicContact CB-CE2 4.17Å; I80-F82 HydrophobicContact CB-CZ 4.39Å; I80-F82 HydrophobicContact CD1-CE2 4.47Å; I80-F82 HydrophobicContact CD1-CZ 4.14Å; I80-F82 HydrophobicContact CG2-CD1 4.14Å; I80-F82 HydrophobicContact CG2-CD2 3.86Å; I80-F82 HydrophobicContact CG2-CE1 3.89Å; I80-F82 HydrophobicContact CG2-CE2 3.59Å; I80-F82 HydrophobicContact CG2-CG 4.13Å; I80-F82 HydrophobicContact CG2-CZ 3.62Å; F82-V84 HydrophobicContact CB-CG2 4.19Å; F82-I106 HydrophobicContact CD2-CB 4.22Å; F82-I106 HydrophobicContact CD2-CD1 3.97Å; F82-I106 HydrophobicContact CD2-CG1 4.36Å; F82-I106 HydrophobicContact CE2-CB 4.32Å; F82-I106 HydrophobicContact CE2-CD1 4.47Å; F82-N107 PolarHBondContact N-O 3.15Å; F82-F108 HydrophobicContact CB-CB 4.04Å; F82-F108 CarbonylContact O-C 3.54Å; F82-F108 WeakPolarHBondContact O-CA 3.27Å; F82-K109 PolarHBondContact O-N 3.03Å
83Y98.8Very high97.6Very high4 Ų449.5 Ų49.52%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-95.997.1165.7-74.6-87.1000109.6P52 V53 V54 I55 L81 V85 K109 V111 I146 Q148 H149P52-Y83 HydrophobicContact CB-CD2 4.11Å; P52-Y83 HydrophobicContact CB-CE2 3.88Å; V53-Y83 PolarHBondContact O-N 3.22Å; V54-Y83 WeakPolarHBondContact CA-O 3.37Å; I55-Y83 PolarHBondContact N-O 2.98Å; L81-Y83 HydrophobicContact CD2-CD2 4.35Å; L81-Y83 HydrophobicContact CD2-CE2 3.48Å; L81-Y83 VanDerWaalsContact CD2-CE2 3.48Å; L81-Y83 HydrophobicContact CG-CD2 4.27Å; L81-Y83 HydrophobicContact CG-CE2 3.86Å; Y83-V85 PolarHBondContact O-N 2.88Å; Y83-K109 CarbonylContact C-O 3.59Å; Y83-K109 WeakPolarHBondContact CA-O 3.47Å; Y83-K109 HydrophobicContact CD1-CB 3.92Å; Y83-K109 HydrophobicContact CD1-CD 4.39Å; Y83-K109 HydrophobicContact CE1-CB 4.02Å; Y83-K109 HydrophobicContact CE1-CD 3.63Å; Y83-K109 HydrophobicContact CE1-CG 4.44Å; Y83-K109 PolarHBondContact OH-NZ 3.12Å; Y83-V111 HydrophobicContact CD1-CG2 3.75Å; Y83-I146 HydrophobicContact CD1-CD1 3.22Å; Y83-I146 HydrophobicContact CD1-CG1 4.31Å; Y83-I146 HydrophobicContact CD2-CD1 4.31Å; Y83-I146 HydrophobicContact CD2-CG2 4.29Å; Y83-I146 HydrophobicContact CE1-CD1 3.66Å; Y83-I146 HydrophobicContact CE1-CG2 4.09Å; Y83-I146 HydrophobicContact CE2-CG2 3.88Å; Y83-I146 HydrophobicContact CG-CD1 3.55Å; Y83-I146 HydrophobicContact CG-CG1 4.29Å; Y83-Q148 PolarHBondContact OH-OE1 3.13Å; Y83-H149 AromaticContact CE2-CD2 3.72Å; Y83-H149 AromaticContact CE2-NE2 3.51Å; Y83-H149 AromaticContact CZ-CD2 3.9Å; Y83-H149 AromaticContact CZ-NE2 3.69Å; Y83-H149 PolarHBondContact OH-CD2 3.24Å; Y83-H149 PolarHBondContact OH-NE2 2.95Å
84V98.8Very high97.6Very high0 Ų044.9 Ų44.90%023%0.233CC..EExtended strand (participates in β ladder)trans-90.8105.9-178.4-168.10000109.6I55 A57 T65 I69 F82 I94 I98 K109 I110 V111I55-V84 HydrophobicContact CG2-CG2 4.31Å; I55-V84 WeakPolarHBondContact O-CA 3.44Å; A57-V84 HydrophobicContact CB-CG1 3.77Å; T65-V84 HydrophobicContact CG2-CG1 4.21Å; I69-V84 HydrophobicContact CD1-CG2 3.84Å; F82-V84 HydrophobicContact CB-CG2 4.19Å; V84-I94 HydrophobicContact CB-CG2 4.06Å; V84-I94 HydrophobicContact CG1-CD1 4.34Å; V84-I94 HydrophobicContact CG1-CG2 3.54Å; V84-I98 HydrophobicContact CG2-CD1 4.22Å; V84-K109 PolarHBondContact N-O 3.14Å; V84-I110 WeakPolarHBondContact O-CA 3.45Å; V84-V111 PolarHBondContact O-N 2.93Å
85V98.8Very high97.6Very high0 Ų047.7 Ų47.70%023%0.234CC..EExtended strand (participates in β ladder)trans-92.9123-172.9-169.60000110.5V54 I55 C56 A57 Y83 V111 F113 L135 V138V54-V85 HydrophobicContact CG1-CG2 3.72Å; I55-V85 PolarHBondContact O-N 2.81Å; C56-V85 CarbonylContact C-O 3.56Å; C56-V85 WeakPolarHBondContact CA-O 3.21Å; A57-V85 PolarHBondContact N-O 2.9Å; Y83-V85 PolarHBondContact O-N 2.88Å; V85-V111 WeakPolarHBondContact CA-O 3.34Å; V85-V111 HydrophobicContact CG2-CB 4.25Å; V85-F113 HydrophobicContact CG1-CB 3.75Å; V85-L135 HydrophobicContact CG1-CD2 4.33Å; V85-V138 HydrophobicContact CB-CG1 4.27Å; V85-V138 HydrophobicContact CG1-CG1 4.05Å; V85-V138 HydrophobicContact CG1-CG2 3.75Å; V85-V138 HydrophobicContact CG2-CG1 4.08Å
86G98.3Very high97.6Very high0 Ų051.1 Ų51.10%025%0.247CC..EExtended strand (participates in β ladder)trans-134.6172.7-179.900000112.9V111 F113G86-V111 PolarHBondContact N-O 3.36Å; G86-F113 PolarHBondContact O-N 2.91Å
87L97.8Very high97.6Very high40 Ų4050.4 Ų50.421%0.20924%0.242CC..  trans-84.6157.5166.4-61.3179.1000109.9N89 T90 L91 F113 P115 P134 L135L87-N89 WeakPolarHBondContact CB-OD1 3.49Å; L87-N89 PolarHBondContact O-N 3.47Å; L87-T90 PolarHBondContact N-OG1 3.47Å; L87-T90 PolarHBondContact O-N 3.1Å; L87-T90 PolarHBondContact O-OG1 3.03Å; L87-L91 WeakPolarHBondContact O-CD2 3.49Å; L87-L91 WeakPolarHBondContact O-CG 3.25Å; L87-L91 PolarHBondContact O-N 3.36Å; L87-F113 HydrophobicContact CD2-CD1 4.35Å; L87-F113 WeakPolarHBondContact CD2-O 3.29Å; L87-P115 HydrophobicContact CD2-CG 4.42Å; L87-P134 HydrophobicContact CD2-CB 4.33Å; L87-L135 HydrophobicContact CD2-CD2 4.16Å; L87-L135 HydrophobicContact CG-CD2 4.38Å; L87-L135 HydrophobicContact CG-CG 4.43Å
88R97.1Very high97.7Very high188 Ų18842.1 Ų42.171%0.70920%0.198SC*.THydrogen-bonded Turntrans-47.2-41.5-177.7-169.2171179.5122-3.6114.6T90 E112R88-T90 VanDerWaalsContact C-N 3.27Å; R88-T90 PolarHBondContact O-N 3.23Å; R88-E112 HydrophobicContact CB-CG 4.42Å; R88-E112 WeakPolarHBondContact CB-OE1 3.45Å
89N95.2Very high97.8Very high133 Ų13345 Ų4571%0.71121%0.207SC*.THydrogen-bonded Turntrans-75.4-10.7-179.564.8-29.6000114.3L87L87-N89 WeakPolarHBondContact CB-OD1 3.49Å; L87-N89 PolarHBondContact O-N 3.47Å
90T95.9Very high97.8Very high7 Ų748.9 Ų48.94%0.04322%0.224CC..THydrogen-bonded Turntrans-102.8-18-178.659.30000113.9A59 L87 R88 T92 R93 I94A59-T90 HydrophobicContact CB-CG2 3.67Å; L87-T90 PolarHBondContact N-OG1 3.47Å; L87-T90 PolarHBondContact O-N 3.1Å; L87-T90 PolarHBondContact O-OG1 3.03Å; R88-T90 VanDerWaalsContact C-N 3.27Å; R88-T90 PolarHBondContact O-N 3.23Å; T90-T92 PolarHBondContact O-N 2.96Å; T90-R93 WeakPolarHBondContact O-CB 3.43Å; T90-R93 PolarHBondContact O-N 3.23Å; T90-I94 WeakPolarHBondContact O-CG1 3.38Å; T90-I94 PolarHBondContact O-N 2.96Å
91L97.8Very high97.7Very high37 Ų3749.3 Ų49.319%0.19423%0.228CC..Hα-helixtrans-57.1-45.4-170.4-51.4-175.4000113L87 R93 I94 R95 I110 E112L87-L91 WeakPolarHBondContact O-CD2 3.49Å; L87-L91 WeakPolarHBondContact O-CG 3.25Å; L87-L91 PolarHBondContact O-N 3.36Å; L91-R93 VanDerWaalsContact C-N 3.28Å; L91-R93 PolarHBondContact O-N 3.11Å; L91-I94 PolarHBondContact O-N 2.91Å; L91-R95 PolarHBondContact O-N 3.1Å; L91-I110 HydrophobicContact CB-CG2 4.03Å; L91-I110 HydrophobicContact CD2-CG2 3.65Å; L91-I110 HydrophobicContact CG-CG2 4.26Å; L91-E112 HydrophobicContact CD1-CB 3.93Å; L91-E112 HydrophobicContact CD1-CG 4.22Å
92T97.4Very high97.6Very high94 Ų9453.9 Ų53.958%0.57725%0.248SC*.Hα-helixtrans-63.4-35.5178-53.50000112.1T90 K96T90-T92 PolarHBondContact O-N 2.96Å; T92-K96 HydrophobicContact CG2-CD 4.27Å; T92-K96 WeakPolarHBondContact O-CB 3.36Å; T92-K96 WeakPolarHBondContact O-CG 2.9Å; T92-K96 PolarHBondContact O-N 3.36Å
93R96.9Very high97.6Very high55 Ų5554 Ų5421%0.20825%0.248CC..Hα-helixtrans-72.1-41.3179.1-171.3-179.5171-159.5-7111.1A59 M62 T90 L91 R95 K96 W97 D338A59-R93 PolarHBondContact O-NH1 2.75Å; M62-R93 HydrophobicContact CE-CB 4.15Å; M62-R93 HydrophobicContact CE-CG 4.2Å; M62-R93 HydrophobicContact SD-CB 4.16Å; M62-R93 HydrophobicContact SD-CG 3.73Å; T90-R93 WeakPolarHBondContact O-CB 3.43Å; T90-R93 PolarHBondContact O-N 3.23Å; L91-R93 VanDerWaalsContact C-N 3.28Å; L91-R93 PolarHBondContact O-N 3.11Å; R93-R95 VanDerWaalsContact C-N 3.34Å; R93-R95 PolarHBondContact O-N 3.15Å; R93-K96 PolarHBondContact O-N 2.87Å; R93-W97 WeakPolarHBondContact O-CB 3.26Å; R93-W97 PolarHBondContact O-N 3.06Å; R93-D338 IonicContact CZ-OD2 3.77Å; R93-D338 IonicContact NE-OD2 3.67Å; R93-D338 IonicContact NH2-OD2 3.05Å; R93-D338 PolarHBondContact NH2-OD2 3.24Å
94I98.1Very high97.5Very high0 Ų061 Ų610%027%0.274CS..Hα-helixtrans-54.2-54.1173.3-65.2166.4000109.5A57 M62 M66 V84 T90 L91 K96 W97 I98 I110A57-I94 HydrophobicContact CB-CD1 3.53Å; A57-I94 HydrophobicContact CB-CG1 3.72Å; M62-I94 HydrophobicContact CE-CD1 4.34Å; M62-I94 HydrophobicContact CE-CG1 3.42Å; M62-I94 VanDerWaalsContact CE-CG1 3.42Å; M62-I94 HydrophobicContact SD-CG1 3.94Å; M66-I94 HydrophobicContact CE-CG2 4.45Å; V84-I94 HydrophobicContact CB-CG2 4.06Å; V84-I94 HydrophobicContact CG1-CD1 4.34Å; V84-I94 HydrophobicContact CG1-CG2 3.54Å; T90-I94 WeakPolarHBondContact O-CG1 3.38Å; T90-I94 PolarHBondContact O-N 2.96Å; L91-I94 PolarHBondContact O-N 2.91Å; I94-K96 PolarHBondContact O-N 3.21Å; I94-W97 PolarHBondContact O-N 3.35Å; I94-I98 HydrophobicContact CG2-CD1 3.98Å; I94-I98 WeakPolarHBondContact O-CG1 3.35Å; I94-I98 PolarHBondContact O-N 2.98Å; I94-I98 VanDerWaalsContact O-N 3.13Å; I94-I110 HydrophobicContact CB-CD1 4.15Å; I94-I110 HydrophobicContact CG2-CD1 3.83Å; I94-I110 HydrophobicContact CG2-CG1 3.94Å
95R98.2Very high97.4Very high121 Ų12166.5 Ų66.546%0.45730%0.3SS..Hα-helixtrans-54.8-54179.1-177174.5-75-89.22.5112L91 R93 W97 I98 E99 I110L91-R95 PolarHBondContact O-N 3.1Å; R93-R95 VanDerWaalsContact C-N 3.34Å; R93-R95 PolarHBondContact O-N 3.15Å; R95-W97 VanDerWaalsContact C-N 3.3Å; R95-W97 PolarHBondContact O-N 2.82Å; R95-I98 PolarHBondContact O-N 3.33Å; R95-E99 VanDerWaalsContact CD-OE1 3.3Å; R95-E99 WeakPolarHBondContact CD-OE1 3.47Å; R95-E99 HydrophobicContact CG-CG 4.2Å; R95-E99 WeakPolarHBondContact CG-OE1 3.42Å; R95-E99 WeakPolarHBondContact CG-OE2 3.32Å; R95-E99 IonicContact CZ-OE1 4Å; R95-E99 IonicContact NH1-OE1 3.75Å; R95-E99 PolarHBondContact NH1-OE1 2.87Å; R95-E99 WeakPolarHBondContact O-CB 3.4Å; R95-E99 WeakPolarHBondContact O-CG 3.39Å; R95-E99 PolarHBondContact O-N 3.43Å; R95-I110 HydrophobicContact CB-CD1 3.53Å; R95-I110 HydrophobicContact CG-CD1 4.35Å
96K97.7Very high97.4Very high123 Ų12366.9 Ų66.954%0.53530%0.302SS..Hα-helixtrans-59.9-40-178.5-76.3-178.7176.6-171.70112.3T92 R93 I94 H100T92-K96 HydrophobicContact CG2-CD 4.27Å; T92-K96 WeakPolarHBondContact O-CB 3.36Å; T92-K96 WeakPolarHBondContact O-CG 2.9Å; T92-K96 PolarHBondContact O-N 3.36Å; R93-K96 PolarHBondContact O-N 2.87Å; I94-K96 PolarHBondContact O-N 3.21Å; K96-H100 VanDerWaalsContact O-CB 3.29Å; K96-H100 WeakPolarHBondContact O-CB 3.36Å; K96-H100 PolarHBondContact O-N 2.96Å; K96-H100 PolarHBondContact O-ND1 3.35Å
97W98.1Very high97.4Very high3 Ų371 Ų711%0.01132%0.324CS..Hα-helixtrans-64.4-46.1179.6-158.5-35.5000111.3M62 G63 M66 R93 I94 R95 S101 V336 P337 D338 P339 F343M62-W97 HydrophobicContact CB-CE3 4.16Å; M62-W97 HydrophobicContact CB-CH2 4.39Å; M62-W97 HydrophobicContact CB-CZ3 3.66Å; M62-W97 HydrophobicContact CG-CD2 4.43Å; M62-W97 HydrophobicContact CG-CE3 3.57Å; M62-W97 HydrophobicContact CG-CZ3 3.62Å; M62-W97 HydrophobicContact SD-CE3 3.52Å; M62-W97 VanDerWaalsContact SD-CE3 3.52Å; M62-W97 HydrophobicContact SD-CZ3 3.95Å; G63-W97 VanDerWaalsContact N-CH2 3.3Å; M66-W97 HydrophobicContact CE-CB 3.94Å; M66-W97 HydrophobicContact CE-CD2 4.35Å; M66-W97 HydrophobicContact CE-CG 4.09Å; M66-W97 HydrophobicContact CG-CD2 3.89Å; M66-W97 HydrophobicContact CG-CG 3.94Å; M66-W97 HydrophobicContact CG-CZ2 4.21Å; M66-W97 HydrophobicContact SD-CG 4.34Å; R93-W97 WeakPolarHBondContact O-CB 3.26Å; R93-W97 PolarHBondContact O-N 3.06Å; I94-W97 PolarHBondContact O-N 3.35Å; R95-W97 VanDerWaalsContact C-N 3.3Å; R95-W97 PolarHBondContact O-N 2.82Å; W97-S101 WeakPolarHBondContact O-CB 3.31Å; W97-S101 PolarHBondContact O-N 2.65Å; W97-S101 PolarHBondContact O-OG 3.4Å; W97-V336 WeakPolarHBondContact CZ2-O 3.38Å; W97-V336 PolarHBondContact NE1-O 2.69Å; W97-P337 PolarHBondContact NE1-O 2.88Å; W97-P337 VanDerWaalsContact NE1-O 3.09Å; W97-D338 HydrophobicContact CD2-CB 4.42Å; W97-D338 VanDerWaalsContact CE2-CA 3.46Å; W97-D338 HydrophobicContact CE3-CB 4.41Å; W97-D338 HydrophobicContact CH2-CB 3.52Å; W97-D338 VanDerWaalsContact CZ2-CA 3.43Å; W97-D338 HydrophobicContact CZ2-CB 3.43Å; W97-D338 VanDerWaalsContact CZ2-CB 3.43Å; W97-D338 HydrophobicContact CZ3-CB 3.99Å; W97-D338 VanDerWaalsContact CZ3-CG 3.49Å; W97-D338 WeakPolarHBondContact CZ3-OD2 3.36Å; W97-P339 VanDerWaalsContact CD1-CD 3.47Å; W97-P339 HydrophobicContact CG-CG 4.47Å; W97-F343 HydrophobicContact CH2-CB 3.53Å; W97-F343 HydrophobicContact CH2-CD1 4.44Å; W97-F343 HydrophobicContact CH2-CG 4.05Å; W97-F343 HydrophobicContact CZ2-CB 4.45Å; W97-F343 HydrophobicContact CZ3-CB 4.21Å
98I98.4Very high97.4Very high0 Ų071.3 Ų71.30%032%0.324CS..Hα-helixtrans-62.7-54.1177.5-64169.3000110.1M66 V84 I94 R95 H100 S101 L103 R104 I106 F108M66-I98 HydrophobicContact CE-CG1 4.07Å; M66-I98 HydrophobicContact SD-CG1 3.86Å; V84-I98 HydrophobicContact CG2-CD1 4.22Å; I94-I98 HydrophobicContact CG2-CD1 3.98Å; I94-I98 WeakPolarHBondContact O-CG1 3.35Å; I94-I98 PolarHBondContact O-N 2.98Å; I94-I98 VanDerWaalsContact O-N 3.13Å; R95-I98 PolarHBondContact O-N 3.33Å; I98-H100 VanDerWaalsContact C-N 3.28Å; I98-H100 PolarHBondContact O-N 3.34Å; I98-S101 PolarHBondContact O-N 3.1Å; I98-S101 PolarHBondContact O-OG 3.2Å; I98-L103 HydrophobicContact CG2-CB 4.17Å; I98-L103 WeakPolarHBondContact CG2-O 3.42Å; I98-L103 CarbonylContact O-C 3.22Å; I98-R104 WeakPolarHBondContact O-CA 3.33Å; I98-R104 PolarHBondContact O-N 2.96Å; I98-I106 HydrophobicContact CD1-CD1 4.44Å; I98-I106 HydrophobicContact CG2-CD1 3.89Å; I98-I106 HydrophobicContact CG2-CG1 3.97Å; I98-F108 HydrophobicContact CB-CE1 4.39Å; I98-F108 HydrophobicContact CB-CZ 4.31Å; I98-F108 HydrophobicContact CD1-CD2 3.79Å; I98-F108 HydrophobicContact CD1-CE2 3.98Å; I98-F108 HydrophobicContact CD1-CG 4.09Å; I98-F108 HydrophobicContact CD1-CZ 4.41Å; I98-F108 HydrophobicContact CG2-CD1 3.82Å; I98-F108 HydrophobicContact CG2-CE1 3.55Å; I98-F108 HydrophobicContact CG2-CG 4.44Å; I98-F108 HydrophobicContact CG2-CZ 3.96Å
99E97.7Very high97.5Very high79 Ų7966.6 Ų66.637%0.36931%0.309SS..Hα-helixtrans-63.6-27.3-175.9-70.5171.8179.900113.7R95R95-E99 VanDerWaalsContact CD-OE1 3.3Å; R95-E99 WeakPolarHBondContact CD-OE1 3.47Å; R95-E99 HydrophobicContact CG-CG 4.2Å; R95-E99 WeakPolarHBondContact CG-OE1 3.42Å; R95-E99 WeakPolarHBondContact CG-OE2 3.32Å; R95-E99 IonicContact CZ-OE1 4Å; R95-E99 IonicContact NH1-OE1 3.75Å; R95-E99 PolarHBondContact NH1-OE1 2.87Å; R95-E99 WeakPolarHBondContact O-CB 3.4Å; R95-E99 WeakPolarHBondContact O-CG 3.39Å; R95-E99 PolarHBondContact O-N 3.43Å
100H97.1Very high97.6Very high128 Ų12862.2 Ų62.259%0.59329%0.285SS*.THydrogen-bonded Turntrans-11126-177.4-55.678.6000113K96 I98 P339K96-H100 VanDerWaalsContact O-CB 3.29Å; K96-H100 WeakPolarHBondContact O-CB 3.36Å; K96-H100 PolarHBondContact O-N 2.96Å; K96-H100 PolarHBondContact O-ND1 3.35Å; I98-H100 VanDerWaalsContact C-N 3.28Å; I98-H100 PolarHBondContact O-N 3.34Å; H100-P339 HydrophobicContact CB-CB 4.39Å; H100-P339 HydrophobicContact CB-CG 4.17Å
101S97Very high97.7Very high18 Ų1862.9 Ų62.913%0.12629%0.289CS..SBendtrans-132.3-172.1174.471.90000111.4W97 I98 L103 R104W97-S101 WeakPolarHBondContact O-CB 3.31Å; W97-S101 PolarHBondContact O-N 2.65Å; W97-S101 PolarHBondContact O-OG 3.4Å; I98-S101 PolarHBondContact O-N 3.1Å; I98-S101 PolarHBondContact O-OG 3.2Å; S101-L103 PolarHBondContact O-N 2.66Å; S101-L103 PolarHBondContact OG-N 3.49Å; S101-R104 PolarHBondContact O-N 2.98Å
102K96.1Very high97.8Very high102 Ų10264.9 Ų64.944%0.44330%0.297SS..THydrogen-bonded Turntrans-64.2-13172.663.5176.2177.7174.60113.6N70 R104 V336N70-K102 VanDerWaalsContact CG-CE 3.4Å; N70-K102 VanDerWaalsContact ND2-CE 3.31Å; N70-K102 WeakPolarHBondContact ND2-CE 3.37Å; N70-K102 PolarHBondContact ND2-NZ 3.47Å; N70-K102 WeakPolarHBondContact OD1-CE 3.48Å; N70-K102 PolarHBondContact OD1-NZ 2.89Å; K102-R104 VanDerWaalsContact C-N 3.29Å; K102-R104 PolarHBondContact O-N 3.26Å; K102-V336 HydrophobicContact CG-CG1 4.39Å
103L98.1Very high97.8Very high1 Ų160.6 Ų60.61%0.00527%0.271CS..THydrogen-bonded Turntrans-83.23.6178.3-62.2-178.5000114M66 I69 N70 I98 S101 E105 I106 V336M66-L103 HydrophobicContact CB-CD1 4.06Å; M66-L103 HydrophobicContact CG-CD1 4.44Å; M66-L103 HydrophobicContact SD-CD1 3.86Å; I69-L103 HydrophobicContact CB-CD1 4.39Å; I69-L103 HydrophobicContact CG2-CD1 3.99Å; I69-L103 HydrophobicContact CG2-CD2 4.12Å; N70-L103 HydrophobicContact CB-CD2 3.9Å; I98-L103 HydrophobicContact CG2-CB 4.17Å; I98-L103 WeakPolarHBondContact CG2-O 3.42Å; I98-L103 CarbonylContact O-C 3.22Å; S101-L103 PolarHBondContact O-N 2.66Å; S101-L103 PolarHBondContact OG-N 3.49Å; L103-E105 PolarHBondContact O-N 3.45Å; L103-I106 HydrophobicContact CB-CD1 4.29Å; L103-I106 HydrophobicContact CB-CG2 4.38Å; L103-I106 HydrophobicContact CD2-CG2 4.24Å; L103-I106 WeakPolarHBondContact O-CG1 3.48Å; L103-I106 WeakPolarHBondContact O-CG2 3.24Å; L103-I106 PolarHBondContact O-N 2.73Å; L103-I106 VanDerWaalsContact O-N 3.14Å; L103-V336 HydrophobicContact CD1-CG1 4.43Å; L103-V336 HydrophobicContact CD1-CG2 4.1Å; L103-V336 HydrophobicContact CG-CG1 4.43Å; L103-V336 HydrophobicContact CG-CG2 4.24Å
104R97.3Very high97.8Very high151 Ų15161.9 Ų61.957%0.5728%0.282SS*.THydrogen-bonded Turntrans-59.3-21.3-17470180-173.6-85-8.6115.2I98 S101 K102I98-R104 WeakPolarHBondContact O-CA 3.33Å; I98-R104 PolarHBondContact O-N 2.96Å; S101-R104 PolarHBondContact O-N 2.98Å; K102-R104 VanDerWaalsContact C-N 3.29Å; K102-R104 PolarHBondContact O-N 3.26Å
105E96.6Very high97.7Very high117 Ų11764.5 Ų64.555%0.54730%0.299SS..THydrogen-bonded Turntrans-94.7-1.8-176.8-51.5-60.5155.800113.1L103L103-E105 PolarHBondContact O-N 3.45Å
106I98Very high97.6Very high8 Ų864.3 Ų64.34%0.04130%0.304CS..SBendtrans-72.9150.3179.676.3-177.7000111.1I69 Y73 F82 I98 L103 F108I69-I106 HydrophobicContact CG2-CD1 3.61Å; Y73-I106 HydrophobicContact CD1-CG2 3.97Å; Y73-I106 HydrophobicContact CD2-CB 4.32Å; Y73-I106 HydrophobicContact CD2-CG2 3.65Å; Y73-I106 HydrophobicContact CE1-CG2 4.2Å; Y73-I106 HydrophobicContact CE2-CB 4.41Å; Y73-I106 HydrophobicContact CE2-CG2 3.88Å; Y73-I106 HydrophobicContact CG-CG2 3.68Å; F82-I106 HydrophobicContact CD2-CB 4.22Å; F82-I106 HydrophobicContact CD2-CD1 3.97Å; F82-I106 HydrophobicContact CD2-CG1 4.36Å; F82-I106 HydrophobicContact CE2-CB 4.32Å; F82-I106 HydrophobicContact CE2-CD1 4.47Å; I98-I106 HydrophobicContact CD1-CD1 4.44Å; I98-I106 HydrophobicContact CG2-CD1 3.89Å; I98-I106 HydrophobicContact CG2-CG1 3.97Å; L103-I106 HydrophobicContact CB-CD1 4.29Å; L103-I106 HydrophobicContact CB-CG2 4.38Å; L103-I106 HydrophobicContact CD2-CG2 4.24Å; L103-I106 WeakPolarHBondContact O-CG1 3.48Å; L103-I106 WeakPolarHBondContact O-CG2 3.24Å; L103-I106 PolarHBondContact O-N 2.73Å; L103-I106 VanDerWaalsContact O-N 3.14Å; I106-F108 HydrophobicContact CD1-CB 4.32Å; I106-F108 HydrophobicContact CD1-CD1 4.47Å; I106-F108 HydrophobicContact CG1-CB 4.24Å; I106-F108 HydrophobicContact CG1-CD1 3.89Å; I106-F108 HydrophobicContact CG1-CG 4.42Å
107N98.1Very high97.5Very high87 Ų8761.2 Ų61.247%0.46530%0.295SS..  trans-80.9121.3166.6-64.1-41.2000109.8N79 I80 L81 F82N79-N107 PolarHBondContact OD1-ND2 3.3Å; I80-N107 WeakPolarHBondContact O-CB 3.43Å; L81-N107 HydrophobicContact CD1-CB 4.21Å; F82-N107 PolarHBondContact N-O 3.15Å
108F98.6Very high97.4Very high45 Ų4561.6 Ų61.620%0.19730%0.298CS..EExtended strand (participates in β ladder)trans-146.4153.3179.774.1-78.2000114.4F82 I98 I106 I110F82-F108 HydrophobicContact CB-CB 4.04Å; F82-F108 CarbonylContact O-C 3.54Å; F82-F108 WeakPolarHBondContact O-CA 3.27Å; I98-F108 HydrophobicContact CB-CE1 4.39Å; I98-F108 HydrophobicContact CB-CZ 4.31Å; I98-F108 HydrophobicContact CD1-CD2 3.79Å; I98-F108 HydrophobicContact CD1-CE2 3.98Å; I98-F108 HydrophobicContact CD1-CG 4.09Å; I98-F108 HydrophobicContact CD1-CZ 4.41Å; I98-F108 HydrophobicContact CG2-CD1 3.82Å; I98-F108 HydrophobicContact CG2-CE1 3.55Å; I98-F108 HydrophobicContact CG2-CG 4.44Å; I98-F108 HydrophobicContact CG2-CZ 3.96Å; I106-F108 HydrophobicContact CD1-CB 4.32Å; I106-F108 HydrophobicContact CD1-CD1 4.47Å; I106-F108 HydrophobicContact CG1-CB 4.24Å; I106-F108 HydrophobicContact CG1-CD1 3.89Å; I106-F108 HydrophobicContact CG1-CG 4.42Å; F108-I110 HydrophobicContact CD2-CD1 4.44Å; F108-I110 HydrophobicContact CD2-CG1 3.9Å; F108-I110 HydrophobicContact CE2-CD1 3.86Å; F108-I110 HydrophobicContact CE2-CG1 3.81Å
109K98.6Very high97.2Very high90 Ų9069.4 Ų69.439%0.39133%0.332SS..EExtended strand (participates in β ladder)trans-124.4131167.8-72.1170.3-168.4159.90108.8L81 F82 Y83 V84L81-K109 HydrophobicContact CD1-CD 4.36Å; L81-K109 HydrophobicContact CD1-CG 4.21Å; L81-K109 HydrophobicContact CD2-CD 3.98Å; L81-K109 VanDerWaalsContact CD2-NZ 3.28Å; F82-K109 PolarHBondContact O-N 3.03Å; Y83-K109 CarbonylContact C-O 3.59Å; Y83-K109 WeakPolarHBondContact CA-O 3.47Å; Y83-K109 HydrophobicContact CD1-CB 3.92Å; Y83-K109 HydrophobicContact CD1-CD 4.39Å; Y83-K109 HydrophobicContact CE1-CB 4.02Å; Y83-K109 HydrophobicContact CE1-CD 3.63Å; Y83-K109 HydrophobicContact CE1-CG 4.44Å; Y83-K109 PolarHBondContact OH-NZ 3.12Å; V84-K109 PolarHBondContact N-O 3.14Å
110I98.6Very high97Very high40 Ų4068.3 Ų68.321%0.20534%0.341CS..EExtended strand (participates in β ladder)trans-89.4128.2172.2-64.1175.1000108.7V84 L91 I94 R95 F108V84-I110 WeakPolarHBondContact O-CA 3.45Å; L91-I110 HydrophobicContact CB-CG2 4.03Å; L91-I110 HydrophobicContact CD2-CG2 3.65Å; L91-I110 HydrophobicContact CG-CG2 4.26Å; I94-I110 HydrophobicContact CB-CD1 4.15Å; I94-I110 HydrophobicContact CG2-CD1 3.83Å; I94-I110 HydrophobicContact CG2-CG1 3.94Å; R95-I110 HydrophobicContact CB-CD1 3.53Å; R95-I110 HydrophobicContact CG-CD1 4.35Å; F108-I110 HydrophobicContact CD2-CD1 4.44Å; F108-I110 HydrophobicContact CD2-CG1 3.9Å; F108-I110 HydrophobicContact CE2-CD1 3.86Å; F108-I110 HydrophobicContact CE2-CG1 3.81Å
111V98.4Very high96.9Very high22 Ų2263.6 Ų63.613%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-116.8127.3-179.7-176.40000109.9Y83 V84 V85 G86 L145 I146Y83-V111 HydrophobicContact CD1-CG2 3.75Å; V84-V111 PolarHBondContact O-N 2.93Å; V85-V111 WeakPolarHBondContact CA-O 3.34Å; V85-V111 HydrophobicContact CG2-CB 4.25Å; G86-V111 PolarHBondContact N-O 3.36Å; V111-L145 HydrophobicContact CG1-CB 4.27Å; V111-L145 HydrophobicContact CG1-CD2 4.04Å; V111-I146 HydrophobicContact CG2-CD1 4.1Å
112E98.1Very high96.6Very high79 Ų7964.5 Ų64.537%0.36932%0.322SS..EExtended strand (participates in β ladder)trans-78.6123.3171.8-173-179.9165.200110.1R88 L91R88-E112 HydrophobicContact CB-CG 4.42Å; R88-E112 WeakPolarHBondContact CB-OE1 3.45Å; L91-E112 HydrophobicContact CD1-CB 3.93Å; L91-E112 HydrophobicContact CD1-CG 4.22Å
113F98.3Very high96.1Very high4 Ų462.4 Ų62.42%0.01831%0.312CS..  trans-93.7116.1165-176.2-110.6000110V85 G86 L87 P115 V117 L118 P134 L135 V138 Y141 L145V85-F113 HydrophobicContact CG1-CB 3.75Å; G86-F113 PolarHBondContact O-N 2.91Å; L87-F113 HydrophobicContact CD2-CD1 4.35Å; L87-F113 WeakPolarHBondContact CD2-O 3.29Å; F113-P115 VanDerWaalsContact O-CD 3.27Å; F113-P115 WeakPolarHBondContact O-CD 3.06Å; F113-V117 HydrophobicContact CE2-CG2 3.94Å; F113-V117 HydrophobicContact CZ-CG2 3.71Å; F113-L118 HydrophobicContact CE1-CD1 3.85Å; F113-L118 HydrophobicContact CE1-CG 4.37Å; F113-L118 HydrophobicContact CZ-CD1 4.13Å; F113-L118 HydrophobicContact CZ-CD2 4.3Å; F113-L118 HydrophobicContact CZ-CG 4.23Å; F113-P134 HydrophobicContact CD1-CB 4.36Å; F113-P134 HydrophobicContact CE1-CB 4.11Å; F113-P134 VanDerWaalsContact CE1-O 3.3Å; F113-P134 WeakPolarHBondContact CE1-O 3.36Å; F113-L135 HydrophobicContact CB-CD2 3.91Å; F113-L135 HydrophobicContact CD1-CD2 4.08Å; F113-L135 HydrophobicContact CG-CD2 4.31Å; F113-V138 HydrophobicContact CB-CG2 4.11Å; F113-V138 HydrophobicContact CD1-CG2 4.07Å; F113-V138 HydrophobicContact CD2-CG2 3.82Å; F113-V138 HydrophobicContact CE1-CG2 4.46Å; F113-V138 HydrophobicContact CE2-CG2 4.23Å; F113-V138 HydrophobicContact CG-CG2 3.72Å; F113-Y141 AromaticContact CE2-CD2 3.68Å; F113-Y141 HydrophobicContact CE2-CD2 3.68Å; F113-Y141 HydrophobicContact CE2-CE2 4.26Å; F113-Y141 HydrophobicContact CE2-CG 4.22Å; F113-Y141 AromaticContact CZ-CD2 3.97Å; F113-Y141 HydrophobicContact CZ-CD2 3.97Å; F113-Y141 HydrophobicContact CZ-CE2 4.13Å; F113-L145 HydrophobicContact CD2-CD1 4.11Å; F113-L145 HydrophobicContact CD2-CD2 4.32Å
114N97.4Very high95.2Very high82 Ų8267.6 Ų67.644%0.43935%0.346SS..  trans-85.2108.3176.3-177-8.6000110.4M116 V117N114-M116 PolarHBondContact O-N 3.45Å; N114-M116 VanDerWaalsContact OD1-CB 3.22Å; N114-M116 WeakPolarHBondContact OD1-CB 3.19Å; N114-M116 VanDerWaalsContact OD1-CG 3.26Å; N114-M116 WeakPolarHBondContact OD1-CG 3.27Å; N114-M116 PolarHBondContact OD1-N 3.37Å; N114-V117 WeakPolarHBondContact O-CG2 3.46Å; N114-V117 PolarHBondContact O-N 3.31Å
115P95.8Very high94.3Very high55 Ų5564.9 Ų64.936%0.35734%0.342SS..G310 helixtrans-66.8-11.2-175.929.6-36.6000113.5L87 F113 V117 L118 P134L87-P115 HydrophobicContact CD2-CG 4.42Å; F113-P115 VanDerWaalsContact O-CD 3.27Å; F113-P115 WeakPolarHBondContact O-CD 3.06Å; P115-V117 PolarHBondContact O-N 3.06Å; P115-V117 VanDerWaalsContact O-N 3.15Å; P115-L118 VanDerWaalsContact O-CB 3.32Å; P115-L118 WeakPolarHBondContact O-CB 3.4Å; P115-L118 PolarHBondContact O-N 2.73Å; P115-P134 HydrophobicContact CB-CB 3.95Å; P115-P134 HydrophobicContact CB-CG 4.12Å
116M95.9Very high93.3Very high117 Ų11760.7 Ų60.758%0.57633%0.326SS*.G310 helixtrans-59.2-25175.8-69.3-58.1-58.400113.2N114 L118 K119N114-M116 PolarHBondContact O-N 3.45Å; N114-M116 VanDerWaalsContact OD1-CB 3.22Å; N114-M116 WeakPolarHBondContact OD1-CB 3.19Å; N114-M116 VanDerWaalsContact OD1-CG 3.26Å; N114-M116 WeakPolarHBondContact OD1-CG 3.27Å; N114-M116 PolarHBondContact OD1-N 3.37Å; M116-L118 PolarHBondContact O-N 2.71Å; M116-L118 VanDerWaalsContact O-N 3.14Å; M116-K119 HydrophobicContact CE-CD 3.78Å; M116-K119 VanDerWaalsContact O-CB 3.31Å; M116-K119 WeakPolarHBondContact O-CB 3.29Å; M116-K119 PolarHBondContact O-N 3.16Å; M116-K119 VanDerWaalsContact O-N 3.12Å
117V96.3Very high92.2Very high57 Ų5763.7 Ų63.735%0.34535%0.348SS..G310 helixtrans-61.1-21.1173.9-560000112.3F113 N114 P115 K121 Y141F113-V117 HydrophobicContact CE2-CG2 3.94Å; F113-V117 HydrophobicContact CZ-CG2 3.71Å; N114-V117 WeakPolarHBondContact O-CG2 3.46Å; N114-V117 PolarHBondContact O-N 3.31Å; P115-V117 PolarHBondContact O-N 3.06Å; P115-V117 VanDerWaalsContact O-N 3.15Å; V117-K121 WeakPolarHBondContact O-CD 3.45Å; V117-K121 VanDerWaalsContact O-CE 3.32Å; V117-K121 WeakPolarHBondContact O-CE 3.4Å; V117-K121 PolarHBondContact O-NZ 3.01Å; V117-Y141 HydrophobicContact CB-CE1 4.45Å; V117-Y141 HydrophobicContact CG2-CE1 4.22Å; V117-Y141 HydrophobicContact CG2-CE2 4.05Å
118L96Very high91Very high12 Ų1262.5 Ų62.56%0.06334%0.337CS..G310 helixtrans-90.5-6.1-179-54173.8000113.3F113 P115 M116 G120 K121 I122 P134 F137 Y141 M251F113-L118 HydrophobicContact CE1-CD1 3.85Å; F113-L118 HydrophobicContact CE1-CG 4.37Å; F113-L118 HydrophobicContact CZ-CD1 4.13Å; F113-L118 HydrophobicContact CZ-CD2 4.3Å; F113-L118 HydrophobicContact CZ-CG 4.23Å; P115-L118 VanDerWaalsContact O-CB 3.32Å; P115-L118 WeakPolarHBondContact O-CB 3.4Å; P115-L118 PolarHBondContact O-N 2.73Å; M116-L118 PolarHBondContact O-N 2.71Å; M116-L118 VanDerWaalsContact O-N 3.14Å; L118-G120 PolarHBondContact O-N 3.19Å; L118-K121 WeakPolarHBondContact O-CB 3.33Å; L118-K121 PolarHBondContact O-N 3.02Å; L118-I122 HydrophobicContact CB-CD1 3.7Å; L118-I122 HydrophobicContact CB-CG1 4.22Å; L118-I122 HydrophobicContact CD1-CD1 3.73Å; L118-I122 HydrophobicContact CD2-CD1 4.22Å; L118-I122 HydrophobicContact CG-CD1 4.08Å; L118-P134 HydrophobicContact CD1-CB 3.89Å; L118-F137 HydrophobicContact CD1-CB 4.21Å; L118-F137 HydrophobicContact CD1-CD2 3.94Å; L118-F137 HydrophobicContact CD1-CG 4.26Å; L118-F137 HydrophobicContact CD2-CB 3.67Å; L118-F137 HydrophobicContact CD2-CD1 4.43Å; L118-F137 HydrophobicContact CD2-CD2 4.37Å; L118-F137 HydrophobicContact CD2-CG 3.9Å; L118-Y141 HydrophobicContact CD2-CE2 3.82Å; L118-M251 HydrophobicContact CD2-CE 4.05Å
119K94.6Very high90Very high163 Ų16364.2 Ų64.271%0.70935%0.352SS*.THydrogen-bonded Turntrans-57.6124.1-177.8-176.4176.6177.9-179.50110.7M116 K121M116-K119 HydrophobicContact CE-CD 3.78Å; M116-K119 VanDerWaalsContact O-CB 3.31Å; M116-K119 WeakPolarHBondContact O-CB 3.29Å; M116-K119 PolarHBondContact O-N 3.16Å; M116-K119 VanDerWaalsContact O-N 3.12Å; K119-K121 PolarHBondContact O-N 2.8Å
120G93.4Very high88.9Confident56 Ų5665.1 Ų65.158%0.57736%0.358SS*.THydrogen-bonded Turntrans73.27.3-178.700000114.9L118L118-G120 PolarHBondContact O-N 3.19Å
121K94.4Very high88Confident30 Ų3065.3 Ų65.313%0.1336%0.359CS..THydrogen-bonded Turntrans-110.8-11.2179-54.3-177.7-174.5152.70112.7V117 L118 K119 E248 M251 Q252V117-K121 WeakPolarHBondContact O-CD 3.45Å; V117-K121 VanDerWaalsContact O-CE 3.32Å; V117-K121 WeakPolarHBondContact O-CE 3.4Å; V117-K121 PolarHBondContact O-NZ 3.01Å; L118-K121 WeakPolarHBondContact O-CB 3.33Å; L118-K121 PolarHBondContact O-N 3.02Å; K119-K121 PolarHBondContact O-N 2.8Å; K121-E248 HydrophobicContact CD-CB 4.36Å; K121-E248 HydrophobicContact CD-CG 4.14Å; K121-E248 IonicContact NZ-OE1 3.95Å; K121-E248 PolarHBondContact NZ-OE1 2.72Å; K121-E248 IonicContact NZ-OE2 2.97Å; K121-M251 HydrophobicContact CB-CB 4.01Å; K121-M251 HydrophobicContact CB-CE 3.77Å; K121-M251 HydrophobicContact CB-SD 4.38Å; K121-M251 CarbonylContact O-C 3.52Å; K121-M251 WeakPolarHBondContact O-CB 3.46Å; K121-Q252 HydrophobicContact CB-CG 4.49Å; K121-Q252 HydrophobicContact CG-CG 3.92Å
122I90.2Very high87.3Confident36 Ų3665.9 Ų65.919%0.18536%0.361CS..SBendtrans-114.9128.3179.7-62.3179.1000108.9L118 L132 F137 M251L118-I122 HydrophobicContact CB-CD1 3.7Å; L118-I122 HydrophobicContact CB-CG1 4.22Å; L118-I122 HydrophobicContact CD1-CD1 3.73Å; L118-I122 HydrophobicContact CD2-CD1 4.22Å; L118-I122 HydrophobicContact CG-CD1 4.08Å; I122-L132 HydrophobicContact CG2-CD2 3.66Å; I122-F137 HydrophobicContact CD1-CD2 3.71Å; I122-F137 HydrophobicContact CD1-CE1 4.17Å; I122-F137 HydrophobicContact CD1-CE2 3.28Å; I122-F137 HydrophobicContact CD1-CG 4.32Å; I122-F137 HydrophobicContact CD1-CZ 3.53Å; I122-F137 HydrophobicContact CG1-CE1 4.28Å; I122-F137 HydrophobicContact CG1-CE2 4.17Å; I122-F137 HydrophobicContact CG1-CZ 3.9Å; I122-M251 HydrophobicContact CD1-CE 4.41Å; I122-M251 HydrophobicContact CG1-CE 3.75Å
123R84.9Confident86.9Confident58 Ų5867.1 Ų67.122%0.21937%0.367CS..  trans-76.9120.4176.3-155.5-165.2172.5-121.9-7.1108.7D125 V255 N258R123-D125 VanDerWaalsContact CD-OD1 3.29Å; R123-D125 WeakPolarHBondContact CD-OD1 3.33Å; R123-D125 WeakPolarHBondContact CG-OD1 3.4Å; R123-D125 IonicContact CZ-OD1 2.95Å; R123-D125 IonicContact CZ-OD2 3.87Å; R123-D125 IonicContact NE-OD1 3.56Å; R123-D125 PolarHBondContact NE-OD1 2.83Å; R123-D125 IonicContact NE-OD2 3.67Å; R123-D125 PolarHBondContact NH1-O 3.49Å; R123-D125 IonicContact NH1-OD1 3.5Å; R123-D125 PolarHBondContact NH1-OD1 2.95Å; R123-D125 VanDerWaalsContact NH1-OD1 3.12Å; R123-D125 IonicContact NH1-OD2 2.65Å; R123-D125 PolarHBondContact NH1-OD2 3.42Å; R123-D125 VanDerWaalsContact NH2-CG 3.3Å; R123-D125 IonicContact NH2-OD1 2.85Å; R123-D125 PolarHBondContact NH2-OD1 3.06Å; R123-D125 IonicContact NH2-OD2 2.52Å; R123-D125 PolarHBondContact NH2-OD2 3.35Å; R123-V255 HydrophobicContact CB-CG2 4.38Å; R123-N258 VanDerWaalsContact CZ-CG 3.43Å; R123-N258 PolarHBondContact NH1-OD1 3.38Å
124P79.6Confident86.7Confident111 Ų11168.4 Ų68.472%0.72138%0.376SS*.SBendtrans-76.4-24.8-171.128.8-34.5000113.9S126P124-S126 VanDerWaalsContact C-N 3.26Å; P124-S126 PolarHBondContact O-N 2.94Å
125D77.9Confident86.6Confident94 Ų9464.9 Ų64.950%0.50336%0.357SS..  trans-92.541-177.663.9-21.2000112.5R123R123-D125 VanDerWaalsContact CD-OD1 3.29Å; R123-D125 WeakPolarHBondContact CD-OD1 3.33Å; R123-D125 WeakPolarHBondContact CG-OD1 3.4Å; R123-D125 IonicContact CZ-OD1 2.95Å; R123-D125 IonicContact CZ-OD2 3.87Å; R123-D125 IonicContact NE-OD1 3.56Å; R123-D125 PolarHBondContact NE-OD1 2.83Å; R123-D125 IonicContact NE-OD2 3.67Å; R123-D125 PolarHBondContact NH1-O 3.49Å; R123-D125 IonicContact NH1-OD1 3.5Å; R123-D125 PolarHBondContact NH1-OD1 2.95Å; R123-D125 VanDerWaalsContact NH1-OD1 3.12Å; R123-D125 IonicContact NH1-OD2 2.65Å; R123-D125 PolarHBondContact NH1-OD2 3.42Å; R123-D125 VanDerWaalsContact NH2-CG 3.3Å; R123-D125 IonicContact NH2-OD1 2.85Å; R123-D125 PolarHBondContact NH2-OD1 3.06Å; R123-D125 IonicContact NH2-OD2 2.52Å; R123-D125 PolarHBondContact NH2-OD2 3.35Å
126S76.8Confident86.5Confident28 Ų2863.9 Ų63.920%0.19635%0.349CS..  trans-67.9138170.7178.70000110.5P124 R128P124-S126 VanDerWaalsContact C-N 3.26Å; P124-S126 PolarHBondContact O-N 2.94Å; S126-R128 PolarHBondContact O-N 3Å; S126-R128 PolarHBondContact OG-N 2.77Å; S126-R128 VanDerWaalsContact OG-N 3.14Å; S126-R128 PolarHBondContact OG-O 2.84Å
127S73.8Confident86.5Confident72 Ų7258.4 Ų58.450%0.50332%0.321SS..SBendtrans-66.2-13.5171.259.80000113.5P129 S262S127-P129 WeakPolarHBondContact O-CD 3.49Å; S127-S262 WeakPolarHBondContact OG-CB 3.44Å; S127-S262 PolarHBondContact OG-OG 3.12Å
128R73.3Confident86.6Confident62 Ų6255.7 Ų55.723%0.23431%0.305CS..  trans-122.772.5179.1-63.7-137.9-62.3-145.58.8110S126 E130 L131 L264 G265 G266S126-R128 PolarHBondContact O-N 3Å; S126-R128 PolarHBondContact OG-N 2.77Å; S126-R128 VanDerWaalsContact OG-N 3.14Å; S126-R128 PolarHBondContact OG-O 2.84Å; R128-E130 VanDerWaalsContact CA-OE2 3.29Å; R128-E130 WeakPolarHBondContact CA-OE2 3.43Å; R128-E130 VanDerWaalsContact CB-OE1 3.3Å; R128-E130 WeakPolarHBondContact CB-OE1 3.19Å; R128-E130 WeakPolarHBondContact CD-OE1 3.31Å; R128-E130 PolarHBondContact O-N 2.85Å; R128-L131 HydrophobicContact CB-CD1 3.92Å; R128-L131 HydrophobicContact CB-CG 4.03Å; R128-L131 WeakPolarHBondContact O-CB 3.43Å; R128-L131 PolarHBondContact O-N 3.19Å; R128-L131 VanDerWaalsContact O-N 3.09Å; R128-L264 PolarHBondContact NH1-O 3.4Å; R128-L264 VanDerWaalsContact NH1-O 3.15Å; R128-G265 PolarHBondContact NH2-O 2.82Å; R128-G266 PolarHBondContact NE-O 2.87Å; R128-G266 VanDerWaalsContact NE-O 3.15Å; R128-G266 PolarHBondContact NH2-O 2.97Å
129P78.8Confident86.6Confident81 Ų8155.7 Ų55.753%0.52630%0.304SS..G310 helixtrans-61.4-27.1-176.225.5-35.1000113.3S127 L131 L132S127-P129 WeakPolarHBondContact O-CD 3.49Å; P129-L131 PolarHBondContact O-N 2.67Å; P129-L132 WeakPolarHBondContact O-CB 3.44Å; P129-L132 PolarHBondContact O-N 3.32Å
130E75.5Confident86.8Confident108 Ų10848 Ų4851%0.50527%0.27SS..G310 helixtrans-59.9-25174.571.5-75178.900113R128 L132 Q133R128-E130 VanDerWaalsContact CA-OE2 3.29Å; R128-E130 WeakPolarHBondContact CA-OE2 3.43Å; R128-E130 VanDerWaalsContact CB-OE1 3.3Å; R128-E130 WeakPolarHBondContact CB-OE1 3.19Å; R128-E130 WeakPolarHBondContact CD-OE1 3.31Å; R128-E130 PolarHBondContact O-N 2.85Å; E130-L132 VanDerWaalsContact C-N 3.32Å; E130-Q133 WeakPolarHBondContact O-CG 3.45Å
131L78.8Confident87.1Confident44 Ų4445.5 Ų45.523%0.2324%0.244CC..G310 helixtrans-84.1-7177.4-59.5-173.6000113.5R128 P129 Q133 N136 G266 V268R128-L131 HydrophobicContact CB-CD1 3.92Å; R128-L131 HydrophobicContact CB-CG 4.03Å; R128-L131 WeakPolarHBondContact O-CB 3.43Å; R128-L131 PolarHBondContact O-N 3.19Å; R128-L131 VanDerWaalsContact O-N 3.09Å; P129-L131 PolarHBondContact O-N 2.67Å; L131-Q133 VanDerWaalsContact C-N 3.26Å; L131-Q133 PolarHBondContact O-N 2.94Å; L131-N136 PolarHBondContact O-ND2 3.26Å; L131-G266 WeakPolarHBondContact CD1-O 3.49Å; L131-V268 HydrophobicContact CB-CG2 4.18Å
132L84.6Confident87.3Confident34 Ų3444.1 Ų44.118%0.17824%0.238CC..G310 helixtrans-84.72.5179.9-54.8-176.7000113.4I122 P129 E130 V268I122-L132 HydrophobicContact CG2-CD2 3.66Å; P129-L132 WeakPolarHBondContact O-CB 3.44Å; P129-L132 PolarHBondContact O-N 3.32Å; E130-L132 VanDerWaalsContact C-N 3.32Å; L132-V268 HydrophobicContact CD2-CB 4.32Å; L132-V268 HydrophobicContact CD2-CG1 4Å; L132-V268 HydrophobicContact CD2-CG2 3.84Å
133Q89.2Confident87.6Confident106 Ų10642.5 Ų42.550%0.49523%0.23SC..  trans-55.2127.2175.9-68.4-61.4-39.100110.3E130 L131 L135 N136E130-Q133 WeakPolarHBondContact O-CG 3.45Å; L131-Q133 VanDerWaalsContact C-N 3.26Å; L131-Q133 PolarHBondContact O-N 2.94Å; Q133-L135 PolarHBondContact O-N 2.78Å; Q133-L135 VanDerWaalsContact O-N 3.1Å; Q133-N136 VanDerWaalsContact O-CB 3.3Å; Q133-N136 WeakPolarHBondContact O-CB 3.38Å; Q133-N136 PolarHBondContact O-N 3.05Å
134P93.8Very high88.1Confident30 Ų3044.7 Ų44.720%0.19525%0.245CC..G310 helixtrans-55.2-35.5-172.7-30.435.7000114.5L87 F113 P115 L118 N136 F137L87-P134 HydrophobicContact CD2-CB 4.33Å; F113-P134 HydrophobicContact CD1-CB 4.36Å; F113-P134 HydrophobicContact CE1-CB 4.11Å; F113-P134 VanDerWaalsContact CE1-O 3.3Å; F113-P134 WeakPolarHBondContact CE1-O 3.36Å; P115-P134 HydrophobicContact CB-CB 3.95Å; P115-P134 HydrophobicContact CB-CG 4.12Å; L118-P134 HydrophobicContact CD1-CB 3.89Å; P134-N136 PolarHBondContact O-N 3.43Å; P134-F137 PolarHBondContact O-N 3.35Å; P134-F137 VanDerWaalsContact O-N 3.07Å
135L95.6Very high89Confident9 Ų941 Ų415%0.04722%0.219CC..G310 helixtrans-66.9-19.8-178.3-64.1-179.8000113.4C56 A58 V85 L87 F113 Q133 F137 V138C56-L135 HydrophobicContact CB-CB 4.06Å; C56-L135 HydrophobicContact CB-CD1 4.29Å; A58-L135 HydrophobicContact CB-CD1 3.97Å; V85-L135 HydrophobicContact CG1-CD2 4.33Å; L87-L135 HydrophobicContact CD2-CD2 4.16Å; L87-L135 HydrophobicContact CG-CD2 4.38Å; L87-L135 HydrophobicContact CG-CG 4.43Å; F113-L135 HydrophobicContact CB-CD2 3.91Å; F113-L135 HydrophobicContact CD1-CD2 4.08Å; F113-L135 HydrophobicContact CG-CD2 4.31Å; Q133-L135 PolarHBondContact O-N 2.78Å; Q133-L135 VanDerWaalsContact O-N 3.1Å; L135-F137 PolarHBondContact O-N 2.77Å; L135-F137 VanDerWaalsContact O-N 3.11Å; L135-V138 HydrophobicContact CB-CG2 4.44Å; L135-V138 HydrophobicContact CD2-CG2 3.86Å; L135-V138 WeakPolarHBondContact O-CB 3.34Å; L135-V138 WeakPolarHBondContact O-CG2 3.43Å; L135-V138 PolarHBondContact O-N 3.18Å; L135-V138 VanDerWaalsContact O-N 3.13Å
136N93.2Very high89.9Confident34 Ų3436.6 Ų36.618%0.18220%0.196CC..G310 helixtrans-62.7-18.4172.2-67.2-18.1000112.8L131 Q133 P134 R139L131-N136 PolarHBondContact O-ND2 3.26Å; Q133-N136 VanDerWaalsContact O-CB 3.3Å; Q133-N136 WeakPolarHBondContact O-CB 3.38Å; Q133-N136 PolarHBondContact O-N 3.05Å; P134-N136 PolarHBondContact O-N 3.43Å; N136-R139 PolarHBondContact O-NH1 3.14Å
137F96.5Very high90.6Very high1 Ų140.6 Ų40.60%0.00421%0.211CC..G310 helixtrans-96.7-4.9-179.7-61.4-86.8000113L118 I122 P134 L135 R139 F140 Y141 M251 V268 A269L118-F137 HydrophobicContact CD1-CB 4.21Å; L118-F137 HydrophobicContact CD1-CD2 3.94Å; L118-F137 HydrophobicContact CD1-CG 4.26Å; L118-F137 HydrophobicContact CD2-CB 3.67Å; L118-F137 HydrophobicContact CD2-CD1 4.43Å; L118-F137 HydrophobicContact CD2-CD2 4.37Å; L118-F137 HydrophobicContact CD2-CG 3.9Å; I122-F137 HydrophobicContact CD1-CD2 3.71Å; I122-F137 HydrophobicContact CD1-CE1 4.17Å; I122-F137 HydrophobicContact CD1-CE2 3.28Å; I122-F137 HydrophobicContact CD1-CG 4.32Å; I122-F137 HydrophobicContact CD1-CZ 3.53Å; I122-F137 HydrophobicContact CG1-CE1 4.28Å; I122-F137 HydrophobicContact CG1-CE2 4.17Å; I122-F137 HydrophobicContact CG1-CZ 3.9Å; P134-F137 PolarHBondContact O-N 3.35Å; P134-F137 VanDerWaalsContact O-N 3.07Å; L135-F137 PolarHBondContact O-N 2.77Å; L135-F137 VanDerWaalsContact O-N 3.11Å; F137-R139 PolarHBondContact O-N 2.93Å; F137-F140 HydrophobicContact CD1-CD2 4.28Å; F137-F140 AromaticContact CD1-CE2 3.83Å; F137-F140 HydrophobicContact CD1-CE2 3.83Å; F137-F140 HydrophobicContact CD1-CZ 4.11Å; F137-F140 HydrophobicContact CE1-CE2 4.4Å; F137-F140 WeakPolarHBondContact O-CB 3.36Å; F137-F140 PolarHBondContact O-N 3Å; F137-Y141 HydrophobicContact CB-CE2 4.33Å; F137-Y141 WeakPolarHBondContact O-CD2 3.36Å; F137-M251 HydrophobicContact CD1-CE 3.51Å; F137-M251 HydrophobicContact CD1-SD 4.25Å; F137-M251 HydrophobicContact CE1-CE 3.58Å; F137-M251 HydrophobicContact CG-CE 4.36Å; F137-M251 HydrophobicContact CZ-CE 4.46Å; F137-V268 HydrophobicContact CE1-CG1 4.2Å; F137-V268 HydrophobicContact CZ-CB 4.38Å; F137-V268 HydrophobicContact CZ-CG1 3.75Å; F137-A269 HydrophobicContact CD1-CB 4.29Å; F137-A269 HydrophobicContact CE1-CB 4.13Å
138V97.8Very high91.6Very high0 Ų043.2 Ų43.20%022%0.215CC..G310 helixtrans-53.7-38.6178.8163.90000111.6V85 F113 L135 F140 Y141 L142 L145 Y154V85-V138 HydrophobicContact CB-CG1 4.27Å; V85-V138 HydrophobicContact CG1-CG1 4.05Å; V85-V138 HydrophobicContact CG1-CG2 3.75Å; V85-V138 HydrophobicContact CG2-CG1 4.08Å; F113-V138 HydrophobicContact CB-CG2 4.11Å; F113-V138 HydrophobicContact CD1-CG2 4.07Å; F113-V138 HydrophobicContact CD2-CG2 3.82Å; F113-V138 HydrophobicContact CE1-CG2 4.46Å; F113-V138 HydrophobicContact CE2-CG2 4.23Å; F113-V138 HydrophobicContact CG-CG2 3.72Å; L135-V138 HydrophobicContact CB-CG2 4.44Å; L135-V138 HydrophobicContact CD2-CG2 3.86Å; L135-V138 WeakPolarHBondContact O-CB 3.34Å; L135-V138 WeakPolarHBondContact O-CG2 3.43Å; L135-V138 PolarHBondContact O-N 3.18Å; L135-V138 VanDerWaalsContact O-N 3.13Å; V138-F140 PolarHBondContact O-N 3.4Å; V138-Y141 PolarHBondContact O-N 2.95Å; V138-L142 HydrophobicContact CG1-CD2 4.5Å; V138-L142 PolarHBondContact O-N 3.13Å; V138-L145 HydrophobicContact CG1-CD1 3.81Å; V138-Y154 HydrophobicContact CG1-CE2 4.2Å
139R97.1Very high92.7Very high13 Ų1341.3 Ų41.35%0.04921%0.209CC..G310 helixtrans-57.4-17.5177.165.3-170.973.8119.6-14.3114.8N136 F137 Y154 D156 I231 W238 M273N136-R139 PolarHBondContact O-NH1 3.14Å; F137-R139 PolarHBondContact O-N 2.93Å; R139-Y154 HydrophobicContact CB-CD1 4.16Å; R139-Y154 HydrophobicContact CB-CD2 4.37Å; R139-Y154 HydrophobicContact CB-CE1 3.9Å; R139-Y154 HydrophobicContact CB-CE2 4.1Å; R139-Y154 HydrophobicContact CB-CG 4.38Å; R139-Y154 PolarHBondContact NE-OH 3.1Å; R139-Y154 PolarHBondContact NH2-OH 2.88Å; R139-D156 IonicContact CZ-OD1 3.22Å; R139-D156 IonicContact NE-OD1 2.66Å; R139-D156 IonicContact NH2-OD1 2.65Å; R139-D156 PolarHBondContact NH2-OD1 3.18Å; R139-D156 IonicContact NH2-OD2 2.82Å; R139-I231 HydrophobicContact CB-CD1 3.94Å; R139-W238 WeakPolarHBondContact O-CH2 3.49Å; R139-M273 HydrophobicContact CG-SD 3.91Å
140F98.4Very high93.5Very high0 Ų044.3 Ų44.30%022%0.216CC..G310 helixtrans-83.6-23.9175.7-63.47.9000112.3F137 V138 T244 L247 M251 A269 P272 M273F137-F140 HydrophobicContact CD1-CD2 4.28Å; F137-F140 AromaticContact CD1-CE2 3.83Å; F137-F140 HydrophobicContact CD1-CE2 3.83Å; F137-F140 HydrophobicContact CD1-CZ 4.11Å; F137-F140 HydrophobicContact CE1-CE2 4.4Å; F137-F140 WeakPolarHBondContact O-CB 3.36Å; F137-F140 PolarHBondContact O-N 3Å; V138-F140 PolarHBondContact O-N 3.4Å; F140-T244 WeakPolarHBondContact O-CB 3.32Å; F140-T244 VanDerWaalsContact O-CG2 3.26Å; F140-T244 WeakPolarHBondContact O-CG2 3.49Å; F140-T244 PolarHBondContact O-OG1 2.99Å; F140-L247 HydrophobicContact CB-CB 4.5Å; F140-L247 HydrophobicContact CB-CD1 3.78Å; F140-L247 HydrophobicContact CD1-CD1 3.87Å; F140-L247 HydrophobicContact CD2-CB 3.84Å; F140-L247 HydrophobicContact CD2-CD1 4.24Å; F140-L247 HydrophobicContact CE2-CB 4.26Å; F140-L247 HydrophobicContact CG-CB 4.17Å; F140-L247 HydrophobicContact CG-CD1 3.7Å; F140-L247 HydrophobicContact CG-CG 4.44Å; F140-M251 HydrophobicContact CD2-CG 4.44Å; F140-M251 HydrophobicContact CD2-SD 3.57Å; F140-M251 VanDerWaalsContact CD2-SD 3.57Å; F140-M251 HydrophobicContact CE2-CE 4.45Å; F140-M251 HydrophobicContact CE2-CG 3.86Å; F140-M251 HydrophobicContact CE2-SD 3.46Å; F140-M251 WeakPolarHBondContact CE2-SD 3.18Å; F140-A269 HydrophobicContact CE1-CB 4.17Å; F140-A269 WeakPolarHBondContact CE1-O 3.4Å; F140-A269 HydrophobicContact CZ-CB 4Å; F140-A269 WeakPolarHBondContact CZ-O 3.13Å; F140-P272 HydrophobicContact CE1-CG 4.46Å; F140-P272 HydrophobicContact CE2-CB 4.44Å; F140-P272 HydrophobicContact CE2-CG 3.69Å; F140-P272 HydrophobicContact CZ-CB 4.42Å; F140-P272 HydrophobicContact CZ-CG 3.41Å; F140-P272 VanDerWaalsContact CZ-CG 3.41Å; F140-M273 HydrophobicContact CD1-CG 4.09Å; F140-M273 HydrophobicContact CD1-SD 4.07Å; F140-M273 HydrophobicContact CE1-CG 3.5Å; F140-M273 HydrophobicContact CE1-SD 3.62Å; F140-M273 HydrophobicContact CZ-CG 4.21Å
141Y98.4Very high94.6Very high5 Ų541.2 Ų41.22%0.0220%0.201CC..SBendtrans-110.212.3-169.9-58.7-79.4000112.3F113 V117 L118 F137 V138 P143 L144 L145 T244 E248F113-Y141 AromaticContact CE2-CD2 3.68Å; F113-Y141 HydrophobicContact CE2-CD2 3.68Å; F113-Y141 HydrophobicContact CE2-CE2 4.26Å; F113-Y141 HydrophobicContact CE2-CG 4.22Å; F113-Y141 AromaticContact CZ-CD2 3.97Å; F113-Y141 HydrophobicContact CZ-CD2 3.97Å; F113-Y141 HydrophobicContact CZ-CE2 4.13Å; V117-Y141 HydrophobicContact CB-CE1 4.45Å; V117-Y141 HydrophobicContact CG2-CE1 4.22Å; V117-Y141 HydrophobicContact CG2-CE2 4.05Å; L118-Y141 HydrophobicContact CD2-CE2 3.82Å; F137-Y141 HydrophobicContact CB-CE2 4.33Å; F137-Y141 WeakPolarHBondContact O-CD2 3.36Å; V138-Y141 PolarHBondContact O-N 2.95Å; Y141-P143 VanDerWaalsContact C-CD 3.47Å; Y141-P143 VanDerWaalsContact C-N 3.28Å; Y141-P143 VanDerWaalsContact O-N 3.12Å; Y141-L144 HydrophobicContact CD1-CD1 3.94Å; Y141-L144 WeakPolarHBondContact O-CA 3.46Å; Y141-L144 PolarHBondContact O-N 3.03Å; Y141-L145 WeakPolarHBondContact O-CG 3.34Å; Y141-L145 PolarHBondContact O-N 3.19Å; Y141-T244 HydrophobicContact CD1-CG2 3.66Å; Y141-T244 HydrophobicContact CE1-CG2 3.9Å; Y141-E248 HydrophobicContact CE1-CG 4.36Å; Y141-E248 WeakPolarHBondContact CE1-OE1 3.35Å; Y141-E248 PolarHBondContact OH-OE1 3.15Å
142L98.4Very high95.5Very high0 Ų039.1 Ų39.10%019%0.19CC..Hα-helixtrans-44.9-48.2-179-61173000112V54 V138 L144 L145 I146 V152 Y154 A233 M235V54-L142 HydrophobicContact CB-CD2 4.24Å; V54-L142 HydrophobicContact CG1-CD2 3.91Å; V54-L142 HydrophobicContact CG2-CD2 4.29Å; V138-L142 HydrophobicContact CG1-CD2 4.5Å; V138-L142 PolarHBondContact O-N 3.13Å; L142-L144 VanDerWaalsContact C-N 3.27Å; L142-L144 PolarHBondContact O-N 3.19Å; L142-L145 PolarHBondContact O-N 3.39Å; L142-I146 PolarHBondContact O-N 3.04Å; L142-V152 HydrophobicContact CD1-CG2 4.39Å; L142-Y154 HydrophobicContact CD2-CD2 3.82Å; L142-Y154 HydrophobicContact CD2-CG 4.4Å; L142-A233 HydrophobicContact CD1-CB 4.19Å; L142-M235 HydrophobicContact CB-CE 3.46Å; L142-M235 VanDerWaalsContact CB-CE 3.46Å; L142-M235 HydrophobicContact CB-SD 4.21Å; L142-M235 WeakPolarHBondContact O-CE 3.33Å
143P97.4Very high96.2Very high3 Ų337.5 Ų37.52%0.01918%0.182CC..Hα-helixtrans-79-8.4-176.2-9.124.7000114.9Y141 H147 M235 W238 K239Y141-P143 VanDerWaalsContact C-CD 3.47Å; Y141-P143 VanDerWaalsContact C-N 3.28Å; Y141-P143 VanDerWaalsContact O-N 3.12Å; P143-H147 PolarHBondContact O-CD2 2.95Å; P143-M235 HydrophobicContact CB-CE 3.61Å; P143-M235 HydrophobicContact CG-CE 3.47Å; P143-M235 VanDerWaalsContact CG-CE 3.47Å; P143-M235 HydrophobicContact CG-SD 4.46Å; P143-W238 HydrophobicContact CG-CB 4.01Å; P143-W238 HydrophobicContact CG-CD2 4.32Å; P143-W238 HydrophobicContact CG-CG 3.67Å; P143-K239 HydrophobicContact CB-CD 3.96Å; P143-K239 HydrophobicContact CB-CG 3.53Å; P143-K239 HydrophobicContact CG-CG 4.32Å
144L96.4Very high96.7Very high103 Ų10332.6 Ų32.654%0.53916%0.159SC..Hα-helixtrans-94.1-16.2172.6-55.6-171000112Y141 L142 H147 T244Y141-L144 HydrophobicContact CD1-CD1 3.94Å; Y141-L144 WeakPolarHBondContact O-CA 3.46Å; Y141-L144 PolarHBondContact O-N 3.03Å; L142-L144 VanDerWaalsContact C-N 3.27Å; L142-L144 PolarHBondContact O-N 3.19Å; L144-H147 PolarHBondContact O-CE1 2.85Å; L144-H147 PolarHBondContact O-NE2 2.95Å; L144-T244 HydrophobicContact CD1-CG2 4.14Å
145L97.1Very high96.9Very high35 Ų3531.2 Ų31.218%0.18315%0.149CC..Hα-helixtrans-97.5-41.5178-65172.8000110.3V111 F113 V138 Y141 L142V111-L145 HydrophobicContact CG1-CB 4.27Å; V111-L145 HydrophobicContact CG1-CD2 4.04Å; F113-L145 HydrophobicContact CD2-CD1 4.11Å; F113-L145 HydrophobicContact CD2-CD2 4.32Å; V138-L145 HydrophobicContact CG1-CD1 3.81Å; Y141-L145 WeakPolarHBondContact O-CG 3.34Å; Y141-L145 PolarHBondContact O-N 3.19Å; L142-L145 PolarHBondContact O-N 3.39Å
146I96.8Very high97Very high1 Ų132.1 Ų32.11%0.00515%0.154CC..  trans-117.2111.4-174.4-45.1-47000108.9V54 Y83 V111 L142 V152V54-I146 HydrophobicContact CG2-CG1 4Å; Y83-I146 HydrophobicContact CD1-CD1 3.22Å; Y83-I146 HydrophobicContact CD1-CG1 4.31Å; Y83-I146 HydrophobicContact CD2-CD1 4.31Å; Y83-I146 HydrophobicContact CD2-CG2 4.29Å; Y83-I146 HydrophobicContact CE1-CD1 3.66Å; Y83-I146 HydrophobicContact CE1-CG2 4.09Å; Y83-I146 HydrophobicContact CE2-CG2 3.88Å; Y83-I146 HydrophobicContact CG-CD1 3.55Å; Y83-I146 HydrophobicContact CG-CG1 4.29Å; V111-I146 HydrophobicContact CG2-CD1 4.1Å; L142-I146 PolarHBondContact O-N 3.04Å; I146-V152 HydrophobicContact CG2-CG1 4.28Å
147H92.9Very high97.2Very high112 Ų11231.1 Ų31.152%0.51915%0.149SC..  trans-107.4-19.7-171.1-59.997000113.6P143 L144P143-H147 PolarHBondContact O-CD2 2.95Å; L144-H147 PolarHBondContact O-CE1 2.85Å; L144-H147 PolarHBondContact O-NE2 2.95Å
148Q93.4Very high97.2Very high126 Ų12631.3 Ų31.359%0.58915%0.15SC*.SBendtrans-85.8-11.9-168.8-62.678.917.200113.9Y83Y83-Q148 PolarHBondContact OH-OE1 3.13Å
149H96.3Very high97.2Very high23 Ų2331.3 Ų31.311%0.10615%0.15CC..  trans-120.3140.9-172.2-57.8-84.2000111.7E50 P52 Y83 V152 M235E50-H149 IonicContact OE2-CE1 3.94Å; E50-H149 PolarHBondContact OE2-CE1 3.03Å; E50-H149 VanDerWaalsContact OE2-CE1 3.22Å; E50-H149 IonicContact OE2-NE2 3.75Å; P52-H149 HydrophobicContact CB-CB 4.34Å; P52-H149 HydrophobicContact CG-CB 3.75Å; Y83-H149 AromaticContact CE2-CD2 3.72Å; Y83-H149 AromaticContact CE2-NE2 3.51Å; Y83-H149 AromaticContact CZ-CD2 3.9Å; Y83-H149 AromaticContact CZ-NE2 3.69Å; Y83-H149 PolarHBondContact OH-CD2 3.24Å; Y83-H149 PolarHBondContact OH-NE2 2.95Å; H149-V152 HydrophobicContact CB-CG1 3.94Å; H149-M235 VanDerWaalsContact O-CB 3.3Å; H149-M235 WeakPolarHBondContact O-CB 3.29Å; H149-M235 WeakPolarHBondContact O-CG 3.39Å
150E96.3Very high97.3Very high143 Ų14330.7 Ų30.767%0.66815%0.148SC*.SBendtrans-81-27.5174.7-59.7-164.3152.200112.5N234 M235E150-N234 CarbonylContact O-C 3.59Å; E150-N234 WeakPolarHBondContact O-CA 3.39Å; E150-N234 PolarHBondContact O-OD1 2.86Å; E150-M235 WeakPolarHBondContact O-CB 3.42Å; E150-M235 PolarHBondContact O-N 2.98Å
151K97.8Very high97.3Very high44 Ų4430.7 Ų30.719%0.19115%0.148CC..EExtended strand (participates in β ladder)trans-137.6137.3179.4-174178.363.2175.10109.8P52 Y169 V232 A233P52-K151 WeakPolarHBondContact CG-O 3.32Å; K151-Y169 HydrophobicContact CB-CE2 4.16Å; K151-Y169 HydrophobicContact CD-CE2 4.26Å; K151-Y169 VanDerWaalsContact CE-CE2 3.42Å; K151-Y169 VanDerWaalsContact CE-O 3.24Å; K151-Y169 WeakPolarHBondContact CE-O 3.29Å; K151-Y169 HydrophobicContact CG-CE2 3.98Å; K151-Y169 PolarHBondContact NZ-O 3.42Å; K151-Y169 PolarHBondContact O-OH 3.04Å; K151-V232 HydrophobicContact CD-CG1 4.09Å; K151-V232 HydrophobicContact CG-CG1 4.17Å; K151-A233 CarbonylContact C-O 3.43Å; K151-A233 WeakPolarHBondContact CA-O 3.43Å
152V98.7Very high97.3Very high0 Ų033 Ų330%016%0.159CC..EExtended strand (participates in β ladder)trans-135.9155.7176.5-48.30000112.2P52 V54 L142 I146 H149 A233 M235P52-V152 HydrophobicContact CB-CB 4.41Å; P52-V152 HydrophobicContact CB-CG1 4.03Å; P52-V152 HydrophobicContact CG-CB 4.01Å; P52-V152 HydrophobicContact CG-CG1 3.66Å; V54-V152 HydrophobicContact CG2-CB 4.33Å; V54-V152 HydrophobicContact CG2-CG2 4.25Å; L142-V152 HydrophobicContact CD1-CG2 4.39Å; I146-V152 HydrophobicContact CG2-CG1 4.28Å; H149-V152 HydrophobicContact CB-CG1 3.94Å; V152-A233 HydrophobicContact CG2-CB 4.15Å; V152-A233 PolarHBondContact N-O 2.97Å; V152-A233 PolarHBondContact O-N 3.45Å; V152-M235 HydrophobicContact CB-SD 4.4Å; V152-M235 HydrophobicContact CG1-CG 3.82Å; V152-M235 HydrophobicContact CG1-SD 4.1Å; V152-M235 HydrophobicContact CG2-CE 4.35Å; V152-M235 HydrophobicContact CG2-CG 4.28Å; V152-M235 HydrophobicContact CG2-SD 3.52Å; V152-M235 VanDerWaalsContact CG2-SD 3.52Å
153I98.9Very high97.3Very high0 Ų033.6 Ų33.60%017%0.165CC..EExtended strand (participates in β ladder)trans-97.6133.4164.5-65.7164.8000108.3I51 P52 V53 V54 L155 I165 L168 Y169 I231 V232I51-I153 HydrophobicContact CG2-CD1 4.14Å; P52-I153 PolarHBondContact O-N 2.97Å; V53-I153 CarbonylContact C-O 3.54Å; V53-I153 HydrophobicContact CG2-CB 4.45Å; V54-I153 PolarHBondContact N-O 3.24Å; I153-L155 HydrophobicContact CG2-CD1 4.28Å; I153-L155 HydrophobicContact CG2-CD2 3.82Å; I153-L155 HydrophobicContact CG2-CG 3.77Å; I153-I165 HydrophobicContact CD1-CD1 4.05Å; I153-I165 HydrophobicContact CD1-CG1 3.75Å; I153-L168 HydrophobicContact CD1-CB 4.28Å; I153-L168 HydrophobicContact CD1-CD2 4.25Å; I153-L168 HydrophobicContact CD1-CG 4.16Å; I153-L168 HydrophobicContact CG1-CG 4.47Å; I153-L168 HydrophobicContact CG2-CD2 3.99Å; I153-Y169 HydrophobicContact CD1-CD2 4.03Å; I153-Y169 HydrophobicContact CD1-CG 4.45Å; I153-Y169 HydrophobicContact CG1-CD2 4.07Å; I153-I231 CarbonylContact C-O 3.57Å; I153-I231 WeakPolarHBondContact CA-O 3.2Å; I153-V232 HydrophobicContact CG1-CG2 4.48Å
154Y98.9Very high97.3Very high3 Ų336 Ų361%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-112.6133.8165.2171.9-86.6000109.5V54 V138 R139 L142 D156 V230 I231V54-Y154 HydrophobicContact CB-CD2 4.15Å; V54-Y154 HydrophobicContact CG1-CD2 4.04Å; V54-Y154 WeakPolarHBondContact O-CA 3.3Å; V138-Y154 HydrophobicContact CG1-CE2 4.2Å; R139-Y154 HydrophobicContact CB-CD1 4.16Å; R139-Y154 HydrophobicContact CB-CD2 4.37Å; R139-Y154 HydrophobicContact CB-CE1 3.9Å; R139-Y154 HydrophobicContact CB-CE2 4.1Å; R139-Y154 HydrophobicContact CB-CG 4.38Å; R139-Y154 PolarHBondContact NE-OH 3.1Å; R139-Y154 PolarHBondContact NH2-OH 2.88Å; L142-Y154 HydrophobicContact CD2-CD2 3.82Å; L142-Y154 HydrophobicContact CD2-CG 4.4Å; Y154-D156 WeakPolarHBondContact CE1-OD1 3.46Å; Y154-D156 PolarHBondContact OH-OD1 3.33Å; Y154-V230 WeakPolarHBondContact O-CA 3.38Å; Y154-I231 HydrophobicContact CD1-CD1 3.78Å; Y154-I231 HydrophobicContact CD1-CG1 4.01Å; Y154-I231 HydrophobicContact CG-CD1 4.3Å; Y154-I231 PolarHBondContact N-O 3.3Å; Y154-I231 PolarHBondContact O-N 3.36Å
155L98.8Very high97.4Very high0 Ų031 Ų310%015%0.151CC..EExtended strand (participates in β ladder)trans-127.2139.7176.8-59175.3000110.7V53 V54 I72 I153 V159 V161 I165 L168 G229 V230 L311V53-L155 HydrophobicContact CG1-CD1 4.12Å; V54-L155 PolarHBondContact O-N 2.83Å; V54-L155 VanDerWaalsContact O-N 3.07Å; I72-L155 HydrophobicContact CD1-CD1 3.5Å; I72-L155 HydrophobicContact CG1-CD1 4.27Å; I153-L155 HydrophobicContact CG2-CD1 4.28Å; I153-L155 HydrophobicContact CG2-CD2 3.82Å; I153-L155 HydrophobicContact CG2-CG 3.77Å; L155-V159 HydrophobicContact CB-CG2 4.22Å; L155-V159 HydrophobicContact CD1-CG2 4.46Å; L155-V161 HydrophobicContact CD1-CG2 4.17Å; L155-I165 HydrophobicContact CD1-CD1 4.41Å; L155-L168 HydrophobicContact CD2-CD2 4.37Å; L155-G229 CarbonylContact C-O 3.46Å; L155-G229 WeakPolarHBondContact CA-O 3.28Å; L155-V230 HydrophobicContact CD2-CB 4.24Å; L155-V230 HydrophobicContact CD2-CG1 3.85Å; L155-V230 HydrophobicContact CD2-CG2 3.89Å; L155-L311 HydrophobicContact CD2-CD1 3.88Å
156D97.6Very high97.4Very high29 Ų2933.3 Ų33.316%0.15516%0.161CC..  trans-65.9157.7163.9-80.2-7.3000110.3R139 Y154 D158 V159 G229 H313R139-D156 IonicContact CZ-OD1 3.22Å; R139-D156 IonicContact NE-OD1 2.66Å; R139-D156 IonicContact NH2-OD1 2.65Å; R139-D156 PolarHBondContact NH2-OD1 3.18Å; R139-D156 IonicContact NH2-OD2 2.82Å; Y154-D156 WeakPolarHBondContact CE1-OD1 3.46Å; Y154-D156 PolarHBondContact OH-OD1 3.33Å; D156-D158 VanDerWaalsContact C-N 3.33Å; D156-D158 WeakPolarHBondContact CB-OD1 3.3Å; D156-D158 PolarHBondContact O-N 2.89Å; D156-V159 WeakPolarHBondContact O-CG2 3.42Å; D156-G229 PolarHBondContact N-O 3.01Å; D156-G229 VanDerWaalsContact OD2-CA 3.24Å; D156-G229 WeakPolarHBondContact OD2-CA 3.12Å; D156-H313 IonicContact OD2-CE1 3.44Å; D156-H313 IonicContact OD2-NE2 3.31Å
157D96.6Very high97.5Very high12 Ų1237.6 Ų37.66%0.06418%0.181CC..THydrogen-bonded Turntrans-82.1-7.6-172.873.146.7000114.4I55 R61 A64I55-D157 HydrophobicContact CG1-CB 4.43Å; R61-D157 IonicContact CZ-OD1 3.75Å; R61-D157 IonicContact CZ-OD2 3.82Å; R61-D157 VanDerWaalsContact NE-CG 3.3Å; R61-D157 IonicContact NE-OD1 3.09Å; R61-D157 PolarHBondContact NE-OD1 3.03Å; R61-D157 IonicContact NE-OD2 3.96Å; R61-D157 PolarHBondContact NE-OD2 2.94Å; R61-D157 IonicContact NH2-OD1 3.97Å; R61-D157 PolarHBondContact NH2-OD1 3.03Å; R61-D157 IonicContact NH2-OD2 2.84Å; A64-D157 CarbonylContact C-O 3.6Å; A64-D157 VanDerWaalsContact CB-O 3.26Å; A64-D157 WeakPolarHBondContact CB-O 3.48Å
158D96.8Very high97.8Very high6 Ų632.3 Ų32.33%0.03216%0.156CC..THydrogen-bonded Turntrans-100.937.4179453.2000112.8R61 D156 H313 W314 K319 W321R61-D158 IonicContact CZ-OD2 2.6Å; R61-D158 IonicContact NH1-OD2 2.75Å; R61-D158 IonicContact NH2-OD1 3.05Å; R61-D158 PolarHBondContact NH2-OD1 2.95Å; R61-D158 IonicContact NH2-OD2 2.72Å; R61-D158 PolarHBondContact NH2-OD2 3.22Å; D156-D158 VanDerWaalsContact C-N 3.33Å; D156-D158 WeakPolarHBondContact CB-OD1 3.3Å; D156-D158 PolarHBondContact O-N 2.89Å; D158-H313 PolarHBondContact O-CD2 2.91Å; D158-H313 IonicContact OD1-CD2 2.82Å; D158-H313 PolarHBondContact OD1-CD2 3.12Å; D158-H313 IonicContact OD1-NE2 3.56Å; D158-H313 PolarHBondContact OD1-NE2 3.04Å; D158-H313 VanDerWaalsContact OD1-NE2 3.12Å; D158-W314 HydrophobicContact CB-CB 4.5Å; D158-W314 PolarHBondContact O-N 3.36Å; D158-K319 HydrophobicContact CB-CD 4.49Å; D158-K319 IonicContact OD2-NZ 3.09Å; D158-K319 PolarHBondContact OD2-NZ 3.11Å; D158-W321 HydrophobicContact CB-CH2 3.89Å; D158-W321 HydrophobicContact CB-CZ3 4.14Å
159V98.4Very high98Very high0 Ų026.9 Ų26.90%013%0.131CC..EExtended strand (participates in β ladder)trans-115.5152177-53.30000112.1A68 L155 D156 L311 L312 H313A68-V159 HydrophobicContact CB-CG2 4.08Å; A68-V159 WeakPolarHBondContact CB-O 3.36Å; L155-V159 HydrophobicContact CB-CG2 4.22Å; L155-V159 HydrophobicContact CD1-CG2 4.46Å; D156-V159 WeakPolarHBondContact O-CG2 3.42Å; V159-L311 HydrophobicContact CB-CD2 4.06Å; V159-L311 HydrophobicContact CB-CG 4.3Å; V159-L311 HydrophobicContact CG1-CD2 4Å; V159-L312 CarbonylContact C-O 3.47Å; V159-L312 WeakPolarHBondContact CA-O 3.5Å; V159-H313 HydrophobicContact CG1-CB 4.18Å
160I98.5Very high98.1Very high0 Ų030 Ų300%015%0.148CC..EExtended strand (participates in β ladder)trans-121.1126163.6-66.9-58.7000107.9A67 Q162 L311 L312 W314 W331 W334A67-I160 HydrophobicContact CB-CD1 4.4Å; I160-Q162 HydrophobicContact CG2-CG 4.17Å; I160-L311 CarbonylContact O-C 3.56Å; I160-L311 WeakPolarHBondContact O-CA 3.26Å; I160-L312 HydrophobicContact CB-CB 4.45Å; I160-L312 PolarHBondContact N-O 2.52Å; I160-L312 PolarHBondContact O-N 3.43Å; I160-W314 HydrophobicContact CB-CZ3 4.12Å; I160-W314 HydrophobicContact CG1-CH2 4.3Å; I160-W314 HydrophobicContact CG1-CZ3 3.79Å; I160-W331 HydrophobicContact CD1-CD2 4.16Å; I160-W331 HydrophobicContact CD1-CE3 3.61Å; I160-W331 HydrophobicContact CD1-CZ3 3.89Å; I160-W331 HydrophobicContact CG1-CD2 4.36Å; I160-W331 HydrophobicContact CG1-CE3 3.52Å; I160-W331 HydrophobicContact CG1-CZ3 3.97Å; I160-W334 HydrophobicContact CD1-CB 3.78Å; I160-W334 HydrophobicContact CD1-CG 3.94Å; I160-W334 HydrophobicContact CG2-CG 4.27Å
161V98.7Very high98.2Very high0 Ų024.3 Ų24.30%012%0.123CC..EExtended strand (participates in β ladder)trans-97.8120.6176.6178.40000108.7S71 I72 N75 L155 G163 I165 W288 L311S71-V161 WeakPolarHBondContact CB-O 3.46Å; S71-V161 PolarHBondContact OG-N 2.85Å; I72-V161 HydrophobicContact CD1-CG2 4.23Å; I72-V161 HydrophobicContact CG1-CB 3.73Å; I72-V161 HydrophobicContact CG1-CG1 4.32Å; I72-V161 HydrophobicContact CG1-CG2 3.51Å; N75-V161 PolarHBondContact ND2-O 3.04Å; L155-V161 HydrophobicContact CD1-CG2 4.17Å; V161-G163 VanDerWaalsContact CG1-O 3.28Å; V161-G163 WeakPolarHBondContact CG1-O 3.45Å; V161-I165 HydrophobicContact CG1-CD1 4.29Å; V161-W288 HydrophobicContact CG1-CH2 4.28Å; V161-W288 HydrophobicContact CG1-CZ3 3.84Å; V161-L311 HydrophobicContact CG2-CD1 3.91Å; V161-L311 HydrophobicContact CG2-CG 4.17Å
162Q98.3Very high98.2Very high54 Ų5428 Ų2825%0.25215%0.15SC..  trans-106.2-25.6179.8-55.5-173.8127.400112.2I160 L306 A309 K310I160-Q162 HydrophobicContact CG2-CG 4.17Å; Q162-L306 PolarHBondContact NE2-O 3.05Å; Q162-A309 PolarHBondContact NE2-O 3.16Å; Q162-K310 PolarHBondContact N-O 3.11Å
163G97.9Very high98.2Very high12 Ų1229.6 Ų29.612%0.12416%0.158CC..SBendtrans-91.5168.9177.100000113.3V161 I165 K310V161-G163 VanDerWaalsContact CG1-O 3.28Å; V161-G163 WeakPolarHBondContact CG1-O 3.45Å; G163-I165 PolarHBondContact O-N 3.15Å; G163-K310 PolarHBondContact N-O 2.58Å
164D98.3Very high98.1Very high52 Ų5232 Ų3228%0.27818%0.178SC..  trans-69.5113.5174.1-174.2-13.7000110.9N75 T76 Q166 E167 W288N75-D164 WeakPolarHBondContact O-CA 3.27Å; T76-D164 VanDerWaalsContact CB-OD1 3.29Å; T76-D164 WeakPolarHBondContact CB-OD1 3.44Å; T76-D164 PolarHBondContact OG1-OD1 3.03Å; D164-Q166 PolarHBondContact O-N 3.38Å; D164-Q166 WeakPolarHBondContact OD1-CB 3.32Å; D164-Q166 PolarHBondContact OD1-N 2.9Å; D164-E167 PolarHBondContact O-N 3.01Å; D164-W288 VanDerWaalsContact C-CH2 3.47Å; D164-W288 WeakPolarHBondContact O-CH2 3.26Å; D164-W288 WeakPolarHBondContact O-CZ2 3.22Å
165I98.4Very high98Very high0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-59.2-21.1-175.1-161.265.5000113.2V53 I72 T76 I80 I153 L155 V161 G163 E167 L168 Y169 W288V53-I165 HydrophobicContact CG2-CG1 4.43Å; I72-I165 HydrophobicContact CG2-CB 4.17Å; I72-I165 HydrophobicContact CG2-CG1 4.18Å; I72-I165 HydrophobicContact CG2-CG2 4.16Å; T76-I165 HydrophobicContact CG2-CG2 3.93Å; I80-I165 HydrophobicContact CD1-CG2 4.02Å; I80-I165 HydrophobicContact CG1-CG2 4.16Å; I153-I165 HydrophobicContact CD1-CD1 4.05Å; I153-I165 HydrophobicContact CD1-CG1 3.75Å; L155-I165 HydrophobicContact CD1-CD1 4.41Å; V161-I165 HydrophobicContact CG1-CD1 4.29Å; G163-I165 PolarHBondContact O-N 3.15Å; I165-E167 VanDerWaalsContact C-N 3.26Å; I165-E167 PolarHBondContact O-N 2.94Å; I165-L168 HydrophobicContact CD1-CB 4.21Å; I165-L168 HydrophobicContact CD1-CD2 3.79Å; I165-L168 WeakPolarHBondContact O-CB 3.47Å; I165-L168 PolarHBondContact O-N 3.39Å; I165-L168 VanDerWaalsContact O-N 3.15Å; I165-Y169 PolarHBondContact O-N 2.68Å; I165-W288 HydrophobicContact CD1-CH2 4.49Å; I165-W288 HydrophobicContact CD1-CZ3 4.02Å
166Q98.1Very high98Very high82 Ų8241.9 Ų41.938%0.38324%0.237SC..Hα-helixtrans-58.3-40174.5-178.416162.500111.5I51 A78 D164 L168 Y169 D170I51-Q166 HydrophobicContact CD1-CB 3.9Å; I51-Q166 HydrophobicContact CD1-CG 4.12Å; A78-Q166 HydrophobicContact CB-CB 4.21Å; D164-Q166 PolarHBondContact O-N 3.38Å; D164-Q166 WeakPolarHBondContact OD1-CB 3.32Å; D164-Q166 PolarHBondContact OD1-N 2.9Å; Q166-L168 VanDerWaalsContact C-N 3.28Å; Q166-L168 PolarHBondContact O-N 3.08Å; Q166-Y169 WeakPolarHBondContact O-CA 3.49Å; Q166-Y169 WeakPolarHBondContact O-CB 3.32Å; Q166-Y169 PolarHBondContact O-N 3.05Å; Q166-D170 VanDerWaalsContact O-CG 3.3Å; Q166-D170 PolarHBondContact O-N 2.83Å
167E98.2Very high98Very high92 Ų9242.6 Ų42.643%0.4324%0.239SC..Hα-helixtrans-63.5-35.9177.9-54.8-179.8-166.300112.6D164 I165 Y169 D170 W288 K310D164-E167 PolarHBondContact O-N 3.01Å; I165-E167 VanDerWaalsContact C-N 3.26Å; I165-E167 PolarHBondContact O-N 2.94Å; E167-Y169 VanDerWaalsContact C-N 3.35Å; E167-D170 PolarHBondContact O-N 3.29Å; E167-W288 HydrophobicContact CB-CZ2 3.87Å; E167-W288 HydrophobicContact CG-CZ2 4.47Å; E167-W288 PolarHBondContact OE2-NE1 3.02Å; E167-K310 IonicContact OE1-NZ 3.83Å; E167-K310 PolarHBondContact OE1-NZ 2.77Å; E167-K310 IonicContact OE2-NZ 3.07Å; E167-K310 PolarHBondContact OE2-NZ 3.47Å
168L98.5Very high98.1Very high0 Ų042 Ų420%024%0.236CC..Hα-helixtrans-66.3-42.8174.6-178.759.5000109.9I153 L155 I165 Q166 D170 T171 V230 V232 I284 W288I153-L168 HydrophobicContact CD1-CB 4.28Å; I153-L168 HydrophobicContact CD1-CD2 4.25Å; I153-L168 HydrophobicContact CD1-CG 4.16Å; I153-L168 HydrophobicContact CG1-CG 4.47Å; I153-L168 HydrophobicContact CG2-CD2 3.99Å; L155-L168 HydrophobicContact CD2-CD2 4.37Å; I165-L168 HydrophobicContact CD1-CB 4.21Å; I165-L168 HydrophobicContact CD1-CD2 3.79Å; I165-L168 WeakPolarHBondContact O-CB 3.47Å; I165-L168 PolarHBondContact O-N 3.39Å; I165-L168 VanDerWaalsContact O-N 3.15Å; Q166-L168 VanDerWaalsContact C-N 3.28Å; Q166-L168 PolarHBondContact O-N 3.08Å; L168-D170 VanDerWaalsContact C-N 3.26Å; L168-D170 PolarHBondContact O-N 3.19Å; L168-T171 VanDerWaalsContact O-CB 3.27Å; L168-T171 WeakPolarHBondContact O-CB 3.07Å; L168-T171 PolarHBondContact O-N 2.94Å; L168-T171 PolarHBondContact O-OG1 2.9Å; L168-V230 HydrophobicContact CD1-CG1 4.38Å; L168-V230 HydrophobicContact CD2-CG1 3.93Å; L168-V232 HydrophobicContact CD1-CG2 3.82Å; L168-V232 HydrophobicContact CG-CG2 3.98Å; L168-V232 WeakPolarHBondContact O-CG2 3.34Å; L168-I284 HydrophobicContact CD1-CD1 4.34Å; L168-I284 HydrophobicContact CD1-CG2 3.77Å; L168-W288 HydrophobicContact CB-CD2 3.81Å; L168-W288 HydrophobicContact CB-CE3 3.77Å; L168-W288 HydrophobicContact CB-CG 4.48Å; L168-W288 HydrophobicContact CB-CH2 4.09Å; L168-W288 HydrophobicContact CB-CZ2 4.13Å; L168-W288 HydrophobicContact CB-CZ3 3.89Å; L168-W288 HydrophobicContact CD1-CB 4.06Å; L168-W288 HydrophobicContact CD1-CD2 4.15Å; L168-W288 HydrophobicContact CD1-CE3 4.31Å; L168-W288 HydrophobicContact CD1-CG 4.05Å; L168-W288 HydrophobicContact CD2-CE3 3.87Å; L168-W288 HydrophobicContact CD2-CZ3 4.21Å; L168-W288 HydrophobicContact CG-CD2 4.36Å; L168-W288 HydrophobicContact CG-CE3 4.19Å
169Y98.4Very high98.2Very high12 Ų1241.8 Ų41.85%0.04724%0.235CC..Hα-helixtrans-59.3-39.2177.3-169.1-109.5000111.8E49 I51 P52 K151 I153 I165 Q166 E167 T171E49-Y169 HydrophobicContact CG-CE1 4.48Å; E49-Y169 WeakPolarHBondContact OE1-CE1 3.45Å; I51-Y169 HydrophobicContact CD1-CD1 4.33Å; I51-Y169 HydrophobicContact CD1-CG 4.26Å; I51-Y169 HydrophobicContact CG1-CD1 4.12Å; I51-Y169 HydrophobicContact CG1-CE1 4.47Å; I51-Y169 HydrophobicContact CG1-CG 4.19Å; I51-Y169 HydrophobicContact CG2-CD2 3.67Å; I51-Y169 HydrophobicContact CG2-CE2 4.2Å; I51-Y169 HydrophobicContact CG2-CG 3.89Å; P52-Y169 HydrophobicContact CG-CE2 4.45Å; K151-Y169 HydrophobicContact CB-CE2 4.16Å; K151-Y169 HydrophobicContact CD-CE2 4.26Å; K151-Y169 VanDerWaalsContact CE-CE2 3.42Å; K151-Y169 VanDerWaalsContact CE-O 3.24Å; K151-Y169 WeakPolarHBondContact CE-O 3.29Å; K151-Y169 HydrophobicContact CG-CE2 3.98Å; K151-Y169 PolarHBondContact NZ-O 3.42Å; K151-Y169 PolarHBondContact O-OH 3.04Å; I153-Y169 HydrophobicContact CD1-CD2 4.03Å; I153-Y169 HydrophobicContact CD1-CG 4.45Å; I153-Y169 HydrophobicContact CG1-CD2 4.07Å; I165-Y169 PolarHBondContact O-N 2.68Å; Q166-Y169 WeakPolarHBondContact O-CA 3.49Å; Q166-Y169 WeakPolarHBondContact O-CB 3.32Å; Q166-Y169 PolarHBondContact O-N 3.05Å; E167-Y169 VanDerWaalsContact C-N 3.35Å; Y169-T171 PolarHBondContact O-N 2.96Å; Y169-T171 VanDerWaalsContact O-N 3.16Å
170D97.6Very high98.2Very high88 Ų8841.8 Ų41.847%0.47124%0.235SC..THydrogen-bonded Turntrans-73.80.3-178.6-69.8-15.8000114.3Q166 E167 L168 T172Q166-D170 VanDerWaalsContact O-CG 3.3Å; Q166-D170 PolarHBondContact O-N 2.83Å; E167-D170 PolarHBondContact O-N 3.29Å; L168-D170 VanDerWaalsContact C-N 3.26Å; L168-D170 PolarHBondContact O-N 3.19Å; D170-T172 PolarHBondContact O-N 3.29Å
171T98.2Very high98.2Very high24 Ų2441.8 Ų41.815%0.14724%0.235CC..PPolyproline II helixtrans-50116.3172-61.80000110.4L168 Y169 L173 A180L168-T171 VanDerWaalsContact O-CB 3.27Å; L168-T171 WeakPolarHBondContact O-CB 3.07Å; L168-T171 PolarHBondContact O-N 2.94Å; L168-T171 PolarHBondContact O-OG1 2.9Å; Y169-T171 PolarHBondContact O-N 2.96Å; Y169-T171 VanDerWaalsContact O-N 3.16Å; T171-L173 PolarHBondContact O-N 3.37Å; T171-A180 HydrophobicContact CG2-CB 3.92Å
172T97.7Very high98Very high123 Ų12341.9 Ų41.976%0.75524%0.236SC*.PPolyproline II helixtrans-72.6125.2-179.8-61.80000110.2D170D170-T172 PolarHBondContact O-N 3.29Å
173L98.5Very high97.7Very high32 Ų3241.7 Ų41.717%0.16824%0.237CC..PPolyproline II helixtrans-94.6125.5174.5-58.9178000109.6T171 A180 N234 S282T171-L173 PolarHBondContact O-N 3.37Å; L173-A180 HydrophobicContact CD2-CB 3.52Å; L173-N234 HydrophobicContact CD1-CB 3.58Å; L173-S282 WeakPolarHBondContact CA-OG 3.39Å
174A98.3Very high97.2Very high51 Ų5141.2 Ų41.242%0.42123%0.231SC..PPolyproline II helixtrans-61.5154.8175.500000111G176 H177 S282A174-G176 PolarHBondContact O-N 3.14Å; A174-H177 WeakPolarHBondContact O-CB 3.13Å; A174-H177 PolarHBondContact O-N 3.03Å; A174-S282 PolarHBondContact N-OG 3.46Å
175L97.2Very high96.5Very high181 Ų18140.1 Ų40.195%0.94823%0.227SC*.THydrogen-bonded Turntrans-55.4126.2-179-177.665.2000111H177L175-H177 VanDerWaalsContact C-N 3.29Å; L175-H177 PolarHBondContact O-N 3.07Å
176G97.2Very high95.3Very high29 Ų2942.4 Ų42.430%0.29924%0.239SC..THydrogen-bonded Turntrans78.83.8-17800000114.8A174 Q241A174-G176 PolarHBondContact O-N 3.14Å; G176-Q241 PolarHBondContact O-NE2 2.66Å
177H98.6Very high93.4Very high44 Ų4443.1 Ų43.120%0.20425%0.246CC..  trans-90.8120.7170.1-67.7-174.9000110A174 L175 Y281 S282A174-H177 WeakPolarHBondContact O-CB 3.13Å; A174-H177 PolarHBondContact O-N 3.03Å; L175-H177 VanDerWaalsContact C-N 3.29Å; L175-H177 PolarHBondContact O-N 3.07Å; H177-Y281 PolarHBondContact CE1-O 3.02Å; H177-Y281 PolarHBondContact ND1-O 3.22Å; H177-Y281 VanDerWaalsContact ND1-O 3.12Å; H177-S282 PolarHBondContact ND1-N 3.22Å; H177-S282 PolarHBondContact ND1-OG 2.93Å
178A98.6Very high91.4Very high1 Ų140.4 Ų40.41%0.00824%0.236CC..  trans-85.5-9.7179.400000113.8A233 N234 E237 W238 I243 F277A178-A233 CarbonylContact O-C 3.57Å; A178-A233 WeakPolarHBondContact O-CA 3.46Å; A178-N234 PolarHBondContact O-N 2.72Å; A178-E237 HydrophobicContact CB-CB 4.1Å; A178-E237 HydrophobicContact CB-CG 3.96Å; A178-W238 HydrophobicContact CB-CB 4.11Å; A178-I243 HydrophobicContact CB-CD1 3.25Å; A178-F277 HydrophobicContact CB-CE1 4.28Å
179A98.6Very high89Confident0 Ų043 Ų430%025%0.254CS..EExtended strand (participates in β ladder)trans-154.4159.2-179.800000112.3F181 I231 V232 W238 F277 Y281 S282A179-F181 HydrophobicContact CB-CD2 4.49Å; A179-F181 HydrophobicContact CB-CE1 4.39Å; A179-F181 HydrophobicContact CB-CE2 3.64Å; A179-F181 HydrophobicContact CB-CZ 3.58Å; A179-I231 HydrophobicContact CB-CG2 3.96Å; A179-V232 CarbonylContact C-O 3.47Å; A179-V232 WeakPolarHBondContact CA-O 3.28Å; A179-W238 HydrophobicContact CB-CZ3 4.17Å; A179-F277 HydrophobicContact CB-CD1 4.34Å; A179-F277 HydrophobicContact CB-CE1 3.68Å; A179-F277 HydrophobicContact CB-CZ 4.08Å; A179-Y281 WeakPolarHBondContact O-CA 3.22Å; A179-Y281 WeakPolarHBondContact O-CB 3.47Å; A179-S282 PolarHBondContact O-N 3.05Å
180A98.7Very high86.5Confident0 Ų047.7 Ų47.70%030%0.295CS..EExtended strand (participates in β ladder)trans-114.614816100000111.6T171 L173 V232 S282 I284T171-A180 HydrophobicContact CG2-CB 3.92Å; L173-A180 HydrophobicContact CD2-CB 3.52Å; A180-V232 HydrophobicContact CB-CB 4.3Å; A180-V232 PolarHBondContact N-O 2.93Å; A180-V232 PolarHBondContact O-N 3.07Å; A180-S282 CarbonylContact C-O 3.51Å; A180-S282 WeakPolarHBondContact CA-O 3.26Å; A180-S282 VanDerWaalsContact CB-O 3.27Å; A180-S282 WeakPolarHBondContact CB-O 3.24Å; A180-I284 HydrophobicContact CB-CD1 4.35Å; A180-I284 HydrophobicContact CB-CG1 3.69Å
181F97.7Very high83.7Confident0 Ų051.8 Ų51.80%031%0.312CS..EExtended strand (participates in β ladder)trans-139.2163176.4-53.4-79000110A179 F226 P228 I231 M273 F277 Y281 S282 T283 I284A179-F181 HydrophobicContact CB-CD2 4.49Å; A179-F181 HydrophobicContact CB-CE1 4.39Å; A179-F181 HydrophobicContact CB-CE2 3.64Å; A179-F181 HydrophobicContact CB-CZ 3.58Å; F181-F226 HydrophobicContact CB-CB 3.75Å; F181-F226 HydrophobicContact CB-CD2 3.66Å; F181-F226 HydrophobicContact CB-CE2 4.42Å; F181-F226 HydrophobicContact CB-CG 3.75Å; F181-F226 AromaticContact CD1-CD2 3.75Å; F181-F226 HydrophobicContact CD1-CD2 3.75Å; F181-F226 AromaticContact CD1-CE2 3.8Å; F181-F226 HydrophobicContact CD1-CE2 3.8Å; F181-F226 HydrophobicContact CD2-CD1 4.22Å; F181-F226 AromaticContact CD2-CD2 3.84Å; F181-F226 HydrophobicContact CD2-CD2 3.84Å; F181-F226 HydrophobicContact CD2-CE1 4.14Å; F181-F226 AromaticContact CD2-CE2 3.78Å; F181-F226 HydrophobicContact CD2-CE2 3.78Å; F181-F226 HydrophobicContact CD2-CG 4.07Å; F181-F226 AromaticContact CD2-CZ 3.93Å; F181-F226 HydrophobicContact CD2-CZ 3.93Å; F181-F226 HydrophobicContact CE1-CD2 4.34Å; F181-F226 AromaticContact CE1-CE2 3.91Å; F181-F226 HydrophobicContact CE1-CE2 3.91Å; F181-F226 HydrophobicContact CE2-CD2 4.44Å; F181-F226 HydrophobicContact CE2-CE1 4.38Å; F181-F226 AromaticContact CE2-CE2 3.93Å; F181-F226 HydrophobicContact CE2-CE2 3.93Å; F181-F226 AromaticContact CE2-CZ 3.89Å; F181-F226 HydrophobicContact CE2-CZ 3.89Å; F181-F226 HydrophobicContact CG-CB 4.45Å; F181-F226 AromaticContact CG-CD2 3.46Å; F181-F226 HydrophobicContact CG-CD2 3.46Å; F181-F226 VanDerWaalsContact CG-CD2 3.46Å; F181-F226 AromaticContact CG-CE2 3.73Å; F181-F226 HydrophobicContact CG-CE2 3.73Å; F181-F226 AromaticContact CG-CG 3.91Å; F181-F226 HydrophobicContact CG-CG 3.91Å; F181-F226 HydrophobicContact CG-CZ 4.36Å; F181-F226 AromaticContact CZ-CE2 3.99Å; F181-F226 HydrophobicContact CZ-CE2 3.99Å; F181-F226 HydrophobicContact CZ-CZ 4.24Å; F181-P228 HydrophobicContact CE1-CB 4.48Å; F181-I231 HydrophobicContact CD1-CB 4.48Å; F181-I231 HydrophobicContact CD1-CG1 4.02Å; F181-I231 HydrophobicContact CD1-CG2 4.21Å; F181-I231 HydrophobicContact CE1-CB 4.16Å; F181-I231 HydrophobicContact CE1-CD1 3.92Å; F181-I231 HydrophobicContact CE1-CG1 3.67Å; F181-I231 HydrophobicContact CE1-CG2 3.61Å; F181-I231 HydrophobicContact CZ-CG2 4.13Å; F181-M273 HydrophobicContact CE1-CE 3.52Å; F181-M273 HydrophobicContact CZ-CE 3.67Å; F181-F277 HydrophobicContact CE2-CB 4.04Å; F181-F277 AromaticContact CE2-CD1 3.8Å; F181-F277 HydrophobicContact CE2-CD1 3.8Å; F181-F277 HydrophobicContact CE2-CD2 4.01Å; F181-F277 HydrophobicContact CE2-CE1 4.2Å; F181-F277 HydrophobicContact CE2-CE2 4.41Å; F181-F277 AromaticContact CE2-CG 3.68Å; F181-F277 HydrophobicContact CE2-CG 3.68Å; F181-F277 HydrophobicContact CE2-CZ 4.48Å; F181-F277 HydrophobicContact CZ-CD1 4.29Å; F181-F277 AromaticContact CZ-CD2 3.95Å; F181-F277 HydrophobicContact CZ-CD2 3.95Å; F181-F277 HydrophobicContact CZ-CE1 4.33Å; F181-F277 HydrophobicContact CZ-CE2 4Å; F181-F277 HydrophobicContact CZ-CG 4.1Å; F181-F277 HydrophobicContact CZ-CZ 4.18Å; F181-Y281 HydrophobicContact CB-CD2 4.03Å; F181-Y281 HydrophobicContact CB-CE2 4.32Å; F181-Y281 AromaticContact CD2-CD2 3.67Å; F181-Y281 HydrophobicContact CD2-CD2 3.67Å; F181-Y281 AromaticContact CD2-CG 3.74Å; F181-Y281 HydrophobicContact CD2-CG 3.74Å; F181-Y281 HydrophobicContact CE2-CG 4.38Å; F181-Y281 HydrophobicContact CG-CD2 4.35Å; F181-S282 PolarHBondContact N-O 3.24Å; F181-T283 WeakPolarHBondContact O-CA 3.18Å; F181-I284 PolarHBondContact O-N 3.03Å
182S94.4Very high81.5Confident3 Ų354.3 Ų54.32%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-92.1137.6164.3-174.20000110.4F226 N227 H289 R291S182-F226 CarbonylContact O-C 3.43Å; S182-F226 VanDerWaalsContact O-CA 3.24Å; S182-F226 WeakPolarHBondContact O-CA 3.26Å; S182-F226 VanDerWaalsContact O-CB 3.26Å; S182-F226 WeakPolarHBondContact O-CB 2.94Å; S182-N227 PolarHBondContact O-N 3.27Å; S182-H289 VanDerWaalsContact CB-ND1 3.3Å; S182-H289 WeakPolarHBondContact CB-ND1 3.33Å; S182-R291 PolarHBondContact OG-NH1 3.09Å
183D91.9Very high79.1Confident50 Ų5055.2 Ų55.227%0.26732%0.323SS..EExtended strand (participates in β ladder)trans-55.5148.4166.5-70.7-12.9000110.2S225 Y281 R291D183-S225 CarbonylContact C-O 3.57Å; D183-Y281 PolarHBondContact OD1-OH 2.99Å; D183-R291 PolarHBondContact O-NH1 3.37Å; D183-R291 PolarHBondContact O-NH2 3Å
184D88.6Confident76.8Confident1 Ų157.9 Ų57.91%0.00534%0.337CS..SBendtrans-126.517.8-177.1-160.535.9000112.5N201 S225 N227 R291 H292D184-N201 HydrophobicContact CB-CB 4.45Å; D184-N201 VanDerWaalsContact O-CB 3.29Å; D184-N201 WeakPolarHBondContact O-CB 3.44Å; D184-N201 PolarHBondContact OD2-ND2 2.84Å; D184-S225 PolarHBondContact N-O 2.76Å; D184-N227 HydrophobicContact CB-CB 4.06Å; D184-R291 VanDerWaalsContact OD1-CD 3.31Å; D184-R291 WeakPolarHBondContact OD1-CD 3.37Å; D184-R291 IonicContact OD1-CZ 2.66Å; D184-R291 IonicContact OD1-NE 2.75Å; D184-R291 PolarHBondContact OD1-NE 3.29Å; D184-R291 IonicContact OD1-NH2 3.99Å; D184-H292 IonicContact OD1-CE1 3.43Å; D184-H292 PolarHBondContact OD1-CE1 3.46Å; D184-H292 IonicContact OD1-NE2 3.62Å; D184-H292 PolarHBondContact OD1-NE2 3.34Å; D184-H292 IonicContact OD2-CE1 3.21Å
185C84.1Confident74.7Confident30 Ų3057.3 Ų57.320%0.20332%0.324CS..  trans-108.95.9178.672.50000113.8L187 C224C185-L187 PolarHBondContact O-N 2.87Å; C185-C224 HydrophobicContact CB-CB 3.85Å; C185-C224 WeakPolarHBondContact CB-SG 3.43Å; C185-C224 WeakPolarHBondContact SG-CB 3.37Å; C185-C224 CovalentContact SG-SG 2.01Å; C185-C224 PolarHBondContact SG-SG 3.24Å
186D71.4Confident72.4Confident47 Ų4754.8 Ų54.825%0.25131%0.311SS..PPolyproline II helixtrans-59.6120.1-176-53.4-41000110.4R291D186-R291 IonicContact OD2-NH2 3.4Å; D186-R291 PolarHBondContact OD2-NH2 3.11Å
187L60Low70.3Confident98 Ų9854.2 Ų54.251%0.51330%0.302SS..PPolyproline II helixtrans-80144.2160.1-74.9-179.8000108.6C185 S189 Q200C185-L187 PolarHBondContact O-N 2.87Å; L187-S189 PolarHBondContact O-N 3.07Å; L187-Q200 HydrophobicContact CD1-CG 4.33Å; L187-Q200 HydrophobicContact CD2-CG 3.67Å; L187-Q200 HydrophobicContact CG-CG 3.82Å
188P55.2Low68.1Low35 Ų3553.5 Ų53.523%0.22731%0.306CS..PPolyproline II helixtrans-48.6128.5158.9-20.128.1000108.2D192 R195 G198P188-D192 HydrophobicContact CB-CB 4.37Å; P188-R195 HydrophobicContact CB-CB 4.07Å; P188-R195 HydrophobicContact CB-CG 4.46Å; P188-R195 WeakPolarHBondContact CB-O 3.31Å; P188-R195 HydrophobicContact CG-CB 4.08Å; P188-R195 HydrophobicContact CG-CG 4Å; P188-R195 WeakPolarHBondContact CG-O 3.19Å; P188-G198 VanDerWaalsContact CD-CA 3.44Å
189S47.2Very low66.4Low53 Ų5355 Ų5537%0.37131%0.314SS..PPolyproline II helixtrans-59.8154.7169.775.70000108.5L187 Q191 D192L187-S189 PolarHBondContact O-N 3.07Å; S189-Q191 PolarHBondContact O-N 3.12Å; S189-Q191 PolarHBondContact OG-N 3.3Å; S189-D192 WeakPolarHBondContact CB-OD2 3.37Å; S189-D192 PolarHBondContact O-N 2.88Å; S189-D192 PolarHBondContact OG-N 3Å; S189-D192 VanDerWaalsContact OG-N 3.07Å; S189-D192 PolarHBondContact OG-OD2 2.91Å
190A46.3Very low65.2Low111 Ų11161 Ų6192%0.91734%0.342SS*.THydrogen-bonded Turntrans-59.2-11.4174.100000113.1
191Q40.1Very low64.5Low175 Ų17561.3 Ų61.382%0.81834%0.344SS*.THydrogen-bonded Turntrans-94.9-18.1174.6-66177.6-1400112.7S189 I193S189-Q191 PolarHBondContact O-N 3.12Å; S189-Q191 PolarHBondContact OG-N 3.3Å; Q191-I193 VanDerWaalsContact C-N 3.3Å; Q191-I193 PolarHBondContact O-N 3.09Å; Q191-I193 VanDerWaalsContact O-N 3.16Å
192D50.5Low64.2Low77 Ų7762.8 Ų62.841%0.41235%0.352SS..  trans-89.863.2175.5-67.5-48.1000111.3P188 S189 N194 R195P188-D192 HydrophobicContact CB-CB 4.37Å; S189-D192 WeakPolarHBondContact CB-OD2 3.37Å; S189-D192 PolarHBondContact O-N 2.88Å; S189-D192 PolarHBondContact OG-N 3Å; S189-D192 VanDerWaalsContact OG-N 3.07Å; S189-D192 PolarHBondContact OG-OD2 2.91Å; D192-N194 PolarHBondContact O-N 2.75Å; D192-R195 PolarHBondContact O-N 2.83Å; D192-R195 VanDerWaalsContact O-N 3.12Å
193I47.9Very low64.2Low142 Ų14262.7 Ų62.773%0.72835%0.352SS*.THydrogen-bonded Turntrans-57-16.6170.1-34.8175.6000111.1Q191Q191-I193 VanDerWaalsContact C-N 3.3Å; Q191-I193 PolarHBondContact O-N 3.09Å; Q191-I193 VanDerWaalsContact O-N 3.16Å
194N50.3Low64.1Low88 Ų8865 Ų6547%0.47136%0.362SS..THydrogen-bonded Turntrans-80.1-11.4-179.5-62.4-31.1000114.6D192D192-N194 PolarHBondContact O-N 2.75Å
195R53.5Low64.2Low38 Ų3865.3 Ų65.314%0.14337%0.365CS..BIsolated β-bridgetrans-117.197.3177.2-171.1-179.4174.9171.7-1.1108.5P188 D192 V197 Y301P188-R195 HydrophobicContact CB-CB 4.07Å; P188-R195 HydrophobicContact CB-CG 4.46Å; P188-R195 WeakPolarHBondContact CB-O 3.31Å; P188-R195 HydrophobicContact CG-CB 4.08Å; P188-R195 HydrophobicContact CG-CG 4Å; P188-R195 WeakPolarHBondContact CG-O 3.19Å; D192-R195 PolarHBondContact O-N 2.83Å; D192-R195 VanDerWaalsContact O-N 3.12Å; R195-V197 VanDerWaalsContact C-N 3.28Å; R195-V197 PolarHBondContact NE-O 2.82Å; R195-V197 PolarHBondContact O-N 3.31Å; R195-Y301 HydrophobicContact CG-CE1 4.15Å
196L49Very low64.5Low129 Ų12964.3 Ų64.368%0.67536%0.358SS*.  trans-83.7-1-179.4-78.3153000113.8R300L196-R300 HydrophobicContact CD1-CB 4.31Å
197V52.9Low65.6Low17 Ų1762.2 Ų62.210%0.10335%0.346CS..  trans-124.5100-178.1-172.80000109.9R195 L199 H292 A299R195-V197 VanDerWaalsContact C-N 3.28Å; R195-V197 PolarHBondContact NE-O 2.82Å; R195-V197 PolarHBondContact O-N 3.31Å; V197-L199 HydrophobicContact CG1-CD1 4.34Å; V197-H292 HydrophobicContact CG1-CB 4.02Å; V197-A299 HydrophobicContact CG2-CB 3.71Å
198G53.1Low67.2Low28 Ų2858.2 Ų58.229%0.28933%0.325SS..  trans-113.7120.9164.900000109.4P188P188-G198 VanDerWaalsContact CD-CA 3.44Å
199L63.7Low69Low34 Ų3458.4 Ų58.418%0.17832%0.322CS..  trans-109.7119170.3-68.7153.2000106.6V197 N201 W295V197-L199 HydrophobicContact CG1-CD1 4.34Å; L199-N201 PolarHBondContact O-N 3.01Å; L199-W295 HydrophobicContact CD1-CB 4.43Å; L199-W295 HydrophobicContact CD1-CD2 3.18Å; L199-W295 VanDerWaalsContact CD1-CE2 3.48Å; L199-W295 HydrophobicContact CD1-CE3 3.14Å; L199-W295 HydrophobicContact CD1-CG 3.77Å; L199-W295 HydrophobicContact CD1-CH2 3.65Å; L199-W295 HydrophobicContact CD1-CZ2 3.72Å; L199-W295 HydrophobicContact CD1-CZ3 3.37Å; L199-W295 HydrophobicContact CD2-CE3 3.89Å; L199-W295 HydrophobicContact CD2-CH2 4.16Å; L199-W295 HydrophobicContact CD2-CZ3 3.54Å; L199-W295 HydrophobicContact CG-CE3 4.13Å; L199-W295 HydrophobicContact CG-CH2 4.42Å; L199-W295 HydrophobicContact CG-CZ3 4.06Å
200Q71.8Confident71.3Confident125 Ų12565.2 Ų65.258%0.58434%0.339SS*.  trans-75.272.8169.7-72.5-173.5-21.500108.9L187 T202L187-Q200 HydrophobicContact CD1-CG 4.33Å; L187-Q200 HydrophobicContact CD2-CG 3.67Å; L187-Q200 HydrophobicContact CG-CG 3.82Å; Q200-T202 VanDerWaalsContact C-N 3.3Å; Q200-T202 PolarHBondContact O-N 2.99Å
201N85.4Confident73.6Confident7 Ų762.8 Ų62.84%0.03731%0.308CS..  trans-72.395.4172.3-64-29.5000107.3D184 L199 Y206 S225D184-N201 HydrophobicContact CB-CB 4.45Å; D184-N201 VanDerWaalsContact O-CB 3.29Å; D184-N201 WeakPolarHBondContact O-CB 3.44Å; D184-N201 PolarHBondContact OD2-ND2 2.84Å; L199-N201 PolarHBondContact O-N 3.01Å; N201-Y206 HydrophobicContact CB-CE2 4.02Å; N201-S225 WeakPolarHBondContact CB-OG 3.02Å; N201-S225 VanDerWaalsContact O-CB 3.23Å; N201-S225 WeakPolarHBondContact O-CB 3.3Å; N201-S225 PolarHBondContact O-N 3.17Å; N201-S225 PolarHBondContact O-OG 2.01Å
202T91.2Very high76.3Confident30 Ų3061.2 Ų61.218%0.18430%0.298CS..BIsolated β-bridgetrans-102.3168.9173.258.50000109.7Q200 M204 G205 Y206 P221 T223Q200-T202 VanDerWaalsContact C-N 3.3Å; Q200-T202 PolarHBondContact O-N 2.99Å; T202-M204 PolarHBondContact O-N 3.38Å; T202-G205 PolarHBondContact O-N 3.05Å; T202-Y206 WeakPolarHBondContact O-CD2 3.46Å; T202-P221 WeakPolarHBondContact CB-O 3.25Å; T202-P221 PolarHBondContact OG1-O 3.06Å; T202-T223 CarbonylContact C-O 3.59Å; T202-T223 WeakPolarHBondContact CA-O 3.37Å; T202-T223 VanDerWaalsContact CB-O 3.31Å; T202-T223 WeakPolarHBondContact CB-O 3.45Å
203Y93.5Very high78.5Confident2 Ų257.8 Ų57.81%0.00828%0.281CS..G310 helixtrans-56-26.4178.1-84.6-124000112.9G205 Y206 L207 Y209 I219 T223 C224 L274 H278Y203-G205 PolarHBondContact O-N 3.48Å; Y203-Y206 PolarHBondContact O-N 3.35Å; Y203-L207 HydrophobicContact CD1-CD1 3.72Å; Y203-L207 HydrophobicContact CE1-CD1 4.45Å; Y203-L207 PolarHBondContact O-N 2.79Å; Y203-Y209 WeakPolarHBondContact CB-OH 3.43Å; Y203-I219 HydrophobicContact CD1-CD1 4.34Å; Y203-I219 HydrophobicContact CD1-CG2 3.54Å; Y203-I219 HydrophobicContact CE1-CD1 3.94Å; Y203-I219 HydrophobicContact CE1-CG2 3.83Å; Y203-I219 HydrophobicContact CG-CG2 4.05Å; Y203-T223 HydrophobicContact CD2-CG2 4.02Å; Y203-T223 WeakPolarHBondContact CD2-O 3.37Å; Y203-T223 HydrophobicContact CE2-CG2 3.94Å; Y203-T223 PolarHBondContact N-O 2.82Å; Y203-C224 VanDerWaalsContact CE2-O 3.26Å; Y203-C224 WeakPolarHBondContact CE2-O 3.2Å; Y203-L274 HydrophobicContact CD1-CB 4.47Å; Y203-L274 HydrophobicContact CE1-CB 3.78Å; Y203-L274 WeakPolarHBondContact CE1-O 3.43Å; Y203-L274 HydrophobicContact CE2-CB 4.39Å; Y203-L274 HydrophobicContact CE2-CD2 4.1Å; Y203-L274 PolarHBondContact OH-O 2.9Å; Y203-H278 AromaticContact CZ-CD2 3.77Å
204M90.9Very high80.9Confident97 Ų9751 Ų5148%0.47825%0.246SC..G310 helixtrans-55.1-32.7172.1-174.162.690.100113.1T202 Y206 Y209 P221T202-M204 PolarHBondContact O-N 3.38Å; M204-Y206 VanDerWaalsContact C-N 3.29Å; M204-Y206 PolarHBondContact O-N 3.24Å; M204-Y209 HydrophobicContact SD-CD2 3.89Å; M204-P221 HydrophobicContact CB-CB 4.08Å; M204-P221 WeakPolarHBondContact CB-O 3.32Å; M204-P221 HydrophobicContact CE-CB 3.42Å; M204-P221 VanDerWaalsContact CE-CB 3.42Å; M204-P221 HydrophobicContact CE-CG 4.09Å; M204-P221 PolarHBondContact N-O 3.1Å; M204-P221 HydrophobicContact SD-CB 4.17Å
205G89.3Confident83.1Confident8 Ų852.6 Ų52.68%0.08225%0.249CC..G310 helixtrans-74.2-15.2178.700000114.4T202 Y203 G266T202-G205 PolarHBondContact O-N 3.05Å; Y203-G205 PolarHBondContact O-N 3.48Å; G205-G266 PolarHBondContact O-N 3.43Å; G205-G266 VanDerWaalsContact O-N 3.12Å
206Y92.1Very high85.2Confident10 Ų1055.7 Ų55.74%0.03927%0.268CS..THydrogen-bonded Turntrans-118.3-24.7-171.3-64.7-87.5000114N201 T202 Y203 M204 S225 Y260 S261 G265 T270 S271 L274N201-Y206 HydrophobicContact CB-CE2 4.02Å; T202-Y206 WeakPolarHBondContact O-CD2 3.46Å; Y203-Y206 PolarHBondContact O-N 3.35Å; M204-Y206 VanDerWaalsContact C-N 3.29Å; M204-Y206 PolarHBondContact O-N 3.24Å; Y206-S225 WeakPolarHBondContact CE2-OG 3.33Å; Y206-Y260 WeakPolarHBondContact O-CA 3.29Å; Y206-S261 PolarHBondContact O-N 3Å; Y206-G265 WeakPolarHBondContact CE1-O 3.49Å; Y206-T270 HydrophobicContact CD1-CG2 3.88Å; Y206-T270 HydrophobicContact CE1-CG2 3.58Å; Y206-S271 PolarHBondContact O-OG 3.21Å; Y206-L274 HydrophobicContact CD1-CD1 3.98Å; Y206-L274 HydrophobicContact CD2-CD1 3.52Å; Y206-L274 HydrophobicContact CE2-CD1 4.13Å; Y206-L274 HydrophobicContact CG-CD1 3.44Å; Y206-L274 VanDerWaalsContact CG-CD1 3.44Å
207L93.8Very high87.5Confident2 Ų252.1 Ų52.11%0.0125%0.25CC..BIsolated β-bridgetrans-122.1140.5-173.8-53.5-179.5000111.4Y203 Y209 I214 Y260 I275Y203-L207 HydrophobicContact CD1-CD1 3.72Å; Y203-L207 HydrophobicContact CE1-CD1 4.45Å; Y203-L207 PolarHBondContact O-N 2.79Å; L207-Y209 HydrophobicContact CB-CD2 4.44Å; L207-Y209 HydrophobicContact CB-CE2 4.06Å; L207-Y209 WeakPolarHBondContact O-CD2 3.43Å; L207-Y209 PolarHBondContact O-N 2.82Å; L207-I214 HydrophobicContact CB-CD1 4.23Å; L207-I214 HydrophobicContact CB-CG1 4.37Å; L207-I214 HydrophobicContact CB-CG2 3.84Å; L207-I214 HydrophobicContact CD1-CD1 4.37Å; L207-I214 HydrophobicContact CD1-CG2 4.28Å; L207-I214 HydrophobicContact CD2-CD1 4.17Å; L207-I214 HydrophobicContact CG-CD1 4.5Å; L207-Y260 HydrophobicContact CD2-CD1 4.02Å; L207-Y260 HydrophobicContact CD2-CE1 4.36Å; L207-I275 HydrophobicContact CD1-CD1 4.44Å; L207-I275 HydrophobicContact CD1-CG1 4.02Å; L207-I275 HydrophobicContact CD2-CD1 3.7Å; L207-I275 HydrophobicContact CD2-CG1 3.99Å
208D93Very high89.6Confident14 Ų1454.7 Ų54.78%0.07528%0.279CS..  trans-85.693.8175.6-173.2-7.6000110.8R210 K211 L259D208-R210 PolarHBondContact O-N 3.19Å; D208-R210 WeakPolarHBondContact OD1-CB 3.45Å; D208-R210 WeakPolarHBondContact OD1-CG 3.41Å; D208-R210 IonicContact OD1-CZ 3.44Å; D208-R210 PolarHBondContact OD1-N 2.82Å; D208-R210 IonicContact OD1-NE 3.12Å; D208-R210 PolarHBondContact OD1-NE 3.28Å; D208-R210 IonicContact OD1-NH2 3.07Å; D208-R210 IonicContact OD2-CZ 3.57Å; D208-R210 IonicContact OD2-NE 3.68Å; D208-R210 PolarHBondContact OD2-NE 3.38Å; D208-R210 IonicContact OD2-NH2 3.12Å; D208-R210 PolarHBondContact OD2-NH2 3.4Å; D208-K211 HydrophobicContact CB-CG 3.83Å; D208-K211 VanDerWaalsContact O-CB 3.3Å; D208-K211 WeakPolarHBondContact O-CB 3.41Å; D208-K211 WeakPolarHBondContact O-CG 3.32Å; D208-K211 PolarHBondContact O-N 3.34Å; D208-K211 VanDerWaalsContact OD2-CE 3.31Å; D208-K211 WeakPolarHBondContact OD2-CE 3.48Å; D208-L259 WeakPolarHBondContact CB-O 3.42Å; D208-L259 PolarHBondContact N-O 2.89Å
209Y94.1Very high91.7Very high39 Ų3954.1 Ų54.115%0.15327%0.27CS..THydrogen-bonded Turntrans-64.9-5.6178.9-79.8-89.4000114.8Y203 M204 L207 K211 I214 K215 I219 S220 P221Y203-Y209 WeakPolarHBondContact CB-OH 3.43Å; M204-Y209 HydrophobicContact SD-CD2 3.89Å; L207-Y209 HydrophobicContact CB-CD2 4.44Å; L207-Y209 HydrophobicContact CB-CE2 4.06Å; L207-Y209 WeakPolarHBondContact O-CD2 3.43Å; L207-Y209 PolarHBondContact O-N 2.82Å; Y209-K211 VanDerWaalsContact C-N 3.27Å; Y209-I214 HydrophobicContact CD1-CG2 3.91Å; Y209-I214 HydrophobicContact CD2-CG2 4.3Å; Y209-I214 HydrophobicContact CE1-CG2 3.98Å; Y209-I214 HydrophobicContact CE2-CG2 4.37Å; Y209-I214 HydrophobicContact CG-CG2 4.07Å; Y209-K215 WeakPolarHBondContact O-CD 3.31Å; Y209-K215 VanDerWaalsContact O-CE 3.31Å; Y209-K215 WeakPolarHBondContact O-CE 3.23Å; Y209-K215 WeakPolarHBondContact O-CG 3.44Å; Y209-I219 VanDerWaalsContact CE1-O 3.31Å; Y209-I219 WeakPolarHBondContact CE1-O 3.39Å; Y209-I219 PolarHBondContact OH-O 3.03Å; Y209-S220 PolarHBondContact OH-O 2.97Å; Y209-P221 HydrophobicContact CD1-CB 4.35Å; Y209-P221 HydrophobicContact CD2-CB 4.03Å; Y209-P221 HydrophobicContact CE1-CB 4.1Å; Y209-P221 HydrophobicContact CE1-CG 4.49Å; Y209-P221 HydrophobicContact CE2-CB 3.76Å; Y209-P221 HydrophobicContact CG-CB 4.32Å; Y209-P221 VanDerWaalsContact CZ-CA 3.45Å; Y209-P221 WeakPolarHBondContact OH-CA 3.3Å
210R94.1Very high93.3Very high197 Ų19755 Ų5574%0.74328%0.279SS*.THydrogen-bonded Turntrans-72.3-27.2169.7-57.5170.3-65-175.33.1110.9D208 K215D208-R210 PolarHBondContact O-N 3.19Å; D208-R210 WeakPolarHBondContact OD1-CB 3.45Å; D208-R210 WeakPolarHBondContact OD1-CG 3.41Å; D208-R210 IonicContact OD1-CZ 3.44Å; D208-R210 PolarHBondContact OD1-N 2.82Å; D208-R210 IonicContact OD1-NE 3.12Å; D208-R210 PolarHBondContact OD1-NE 3.28Å; D208-R210 IonicContact OD1-NH2 3.07Å; D208-R210 IonicContact OD2-CZ 3.57Å; D208-R210 IonicContact OD2-NE 3.68Å; D208-R210 PolarHBondContact OD2-NE 3.38Å; D208-R210 IonicContact OD2-NH2 3.12Å; D208-R210 PolarHBondContact OD2-NH2 3.4Å; R210-K215 VanDerWaalsContact O-CE 3.28Å; R210-K215 WeakPolarHBondContact O-CE 3.39Å; R210-K215 PolarHBondContact O-NZ 2.96Å
211K95.4Very high94.3Very high60 Ų6051.2 Ų51.226%0.26127%0.265SS..SBendtrans-75.5133.3-177.1-54.5-69.2175.7151.40111.2D208 Y209 A213 I214 K215 E257 N258 L259D208-K211 HydrophobicContact CB-CG 3.83Å; D208-K211 VanDerWaalsContact O-CB 3.3Å; D208-K211 WeakPolarHBondContact O-CB 3.41Å; D208-K211 WeakPolarHBondContact O-CG 3.32Å; D208-K211 PolarHBondContact O-N 3.34Å; D208-K211 VanDerWaalsContact OD2-CE 3.31Å; D208-K211 WeakPolarHBondContact OD2-CE 3.48Å; Y209-K211 VanDerWaalsContact C-N 3.27Å; K211-A213 VanDerWaalsContact C-N 3.31Å; K211-A213 PolarHBondContact O-N 2.69Å; K211-I214 HydrophobicContact CB-CB 4.47Å; K211-I214 HydrophobicContact CB-CG1 4.2Å; K211-I214 PolarHBondContact O-N 2.97Å; K211-K215 WeakPolarHBondContact O-CE 3.42Å; K211-K215 PolarHBondContact O-N 2.61Å; K211-K215 VanDerWaalsContact O-N 3.14Å; K211-E257 PolarHBondContact NZ-O 3.2Å; K211-N258 WeakPolarHBondContact CE-O 3.25Å; K211-N258 PolarHBondContact NZ-O 3.28Å; K211-L259 HydrophobicContact CB-CD2 3.78Å; K211-L259 HydrophobicContact CG-CD2 3.98Å
212K96.8Very high94.6Very high141 Ų14155.1 Ų55.161%0.61329%0.293SS*.Hα-helixtrans-58.8-43.9179-169.1-169.5-179.1-52.60111.4I214 K215 D216K212-I214 PolarHBondContact O-N 3.06Å; K212-K215 PolarHBondContact O-N 3.33Å; K212-K215 VanDerWaalsContact O-N 3.1Å; K212-D216 IonicContact NZ-OD1 2.76Å; K212-D216 PolarHBondContact NZ-OD1 3.03Å; K212-D216 IonicContact NZ-OD2 3.88Å; K212-D216 PolarHBondContact NZ-OD2 3.28Å; K212-D216 WeakPolarHBondContact O-CB 3.43Å; K212-D216 PolarHBondContact O-N 3.01Å
213A97.2Very high94.8Very high5 Ų555.5 Ų55.54%0.04130%0.295CS..Hα-helixtrans-56.1-32.3177.700000114.8K211 K253 E257 L259K211-A213 VanDerWaalsContact C-N 3.31Å; K211-A213 PolarHBondContact O-N 2.69Å; A213-K253 HydrophobicContact CB-CD 4.46Å; A213-K253 VanDerWaalsContact CB-CE 3.41Å; A213-E257 WeakPolarHBondContact CB-OE2 3.4Å; A213-L259 HydrophobicContact CB-CD1 4.2Å; A213-L259 HydrophobicContact CB-CD2 3.81Å
214I97.1Very high94.8Very high1 Ų156.8 Ų56.81%0.00530%0.304CS..Hα-helixtrans-79.4-43.8175.5-63.8-53.4000110.5L207 Y209 K211 K212 D216 L217 W250 L259 I275L207-I214 HydrophobicContact CB-CD1 4.23Å; L207-I214 HydrophobicContact CB-CG1 4.37Å; L207-I214 HydrophobicContact CB-CG2 3.84Å; L207-I214 HydrophobicContact CD1-CD1 4.37Å; L207-I214 HydrophobicContact CD1-CG2 4.28Å; L207-I214 HydrophobicContact CD2-CD1 4.17Å; L207-I214 HydrophobicContact CG-CD1 4.5Å; Y209-I214 HydrophobicContact CD1-CG2 3.91Å; Y209-I214 HydrophobicContact CD2-CG2 4.3Å; Y209-I214 HydrophobicContact CE1-CG2 3.98Å; Y209-I214 HydrophobicContact CE2-CG2 4.37Å; Y209-I214 HydrophobicContact CG-CG2 4.07Å; K211-I214 HydrophobicContact CB-CB 4.47Å; K211-I214 HydrophobicContact CB-CG1 4.2Å; K211-I214 PolarHBondContact O-N 2.97Å; K212-I214 PolarHBondContact O-N 3.06Å; I214-D216 VanDerWaalsContact C-N 3.29Å; I214-D216 PolarHBondContact O-N 3.26Å; I214-L217 HydrophobicContact CD1-CD1 4.1Å; I214-L217 VanDerWaalsContact O-CB 3.25Å; I214-L217 WeakPolarHBondContact O-CB 3.39Å; I214-L217 PolarHBondContact O-N 2.89Å; I214-L217 VanDerWaalsContact O-N 3.1Å; I214-W250 HydrophobicContact CD1-CZ3 4.47Å; I214-L259 HydrophobicContact CD1-CB 4.11Å; I214-L259 HydrophobicContact CD1-CD1 4.41Å; I214-L259 HydrophobicContact CG1-CB 4.32Å; I214-L259 HydrophobicContact CG1-CD2 4.34Å; I214-I275 HydrophobicContact CD1-CD1 4.4Å
215K96.9Very high94.9Very high120 Ų12052.2 Ų52.252%0.52228%0.282SS..Hα-helixtrans-58.9-39.9176-77177.4-81.8-169.70112.7Y209 R210 K211 K212 L217 G218Y209-K215 WeakPolarHBondContact O-CD 3.31Å; Y209-K215 VanDerWaalsContact O-CE 3.31Å; Y209-K215 WeakPolarHBondContact O-CE 3.23Å; Y209-K215 WeakPolarHBondContact O-CG 3.44Å; R210-K215 VanDerWaalsContact O-CE 3.28Å; R210-K215 WeakPolarHBondContact O-CE 3.39Å; R210-K215 PolarHBondContact O-NZ 2.96Å; K211-K215 WeakPolarHBondContact O-CE 3.42Å; K211-K215 PolarHBondContact O-N 2.61Å; K211-K215 VanDerWaalsContact O-N 3.14Å; K212-K215 PolarHBondContact O-N 3.33Å; K212-K215 VanDerWaalsContact O-N 3.1Å; K215-L217 PolarHBondContact O-N 2.8Å; K215-L217 VanDerWaalsContact O-N 3.15Å; K215-G218 PolarHBondContact O-N 3.39Å; K215-G218 VanDerWaalsContact O-N 3.1Å
216D97.8Very high95.1Very high104 Ų10451.8 Ų51.856%0.55628%0.278SS*.THydrogen-bonded Turntrans-65.1-14.4179.1-66.5-16.2000113.1K212 I214 G218K212-D216 IonicContact NZ-OD1 2.76Å; K212-D216 PolarHBondContact NZ-OD1 3.03Å; K212-D216 IonicContact NZ-OD2 3.88Å; K212-D216 PolarHBondContact NZ-OD2 3.28Å; K212-D216 WeakPolarHBondContact O-CB 3.43Å; K212-D216 PolarHBondContact O-N 3.01Å; I214-D216 VanDerWaalsContact C-N 3.29Å; I214-D216 PolarHBondContact O-N 3.26Å; D216-G218 VanDerWaalsContact C-N 3.25Å; D216-G218 PolarHBondContact O-N 3.06Å
217L97.4Very high95.2Very high53 Ų5352.1 Ų52.128%0.27728%0.28SS..THydrogen-bonded Turntrans-69.9-22.5173.3-67.6173.6000112.9I214 K215 I219 W250 I275I214-L217 HydrophobicContact CD1-CD1 4.1Å; I214-L217 VanDerWaalsContact O-CB 3.25Å; I214-L217 WeakPolarHBondContact O-CB 3.39Å; I214-L217 PolarHBondContact O-N 2.89Å; I214-L217 VanDerWaalsContact O-N 3.1Å; K215-L217 PolarHBondContact O-N 2.8Å; K215-L217 VanDerWaalsContact O-N 3.15Å; L217-I219 HydrophobicContact CB-CD1 4.03Å; L217-I219 HydrophobicContact CB-CG1 3.99Å; L217-I219 HydrophobicContact CD1-CD1 4.19Å; L217-I219 PolarHBondContact O-N 3.16Å; L217-W250 HydrophobicContact CD1-CH2 3.98Å; L217-W250 HydrophobicContact CD1-CZ2 4.48Å; L217-W250 HydrophobicContact CD2-CH2 3.59Å; L217-W250 HydrophobicContact CD2-CZ2 3.58Å; L217-W250 HydrophobicContact CG-CH2 4.03Å; L217-W250 HydrophobicContact CG-CZ2 4.47Å; L217-I275 HydrophobicContact CD1-CD1 4.3Å; L217-I275 HydrophobicContact CD1-CG1 3.98Å; L217-I275 HydrophobicContact CD1-CG2 3.91Å; L217-I275 HydrophobicContact CD2-CG2 4.01Å
218G97.4Very high95.2Very high71 Ų7152.2 Ų52.273%0.73228%0.281SS*.  trans66.614.7-176.700000114.6K215 D216K215-G218 PolarHBondContact O-N 3.39Å; K215-G218 VanDerWaalsContact O-N 3.1Å; D216-G218 VanDerWaalsContact C-N 3.25Å; D216-G218 PolarHBondContact O-N 3.06Å
219I97.1Very high95.3Very high16 Ų1651.5 Ų51.58%0.08228%0.277CS..  trans-82.8134.3177.6-58171.8000108.8Y203 Y209 L217 T223 H278Y203-I219 HydrophobicContact CD1-CD1 4.34Å; Y203-I219 HydrophobicContact CD1-CG2 3.54Å; Y203-I219 HydrophobicContact CE1-CD1 3.94Å; Y203-I219 HydrophobicContact CE1-CG2 3.83Å; Y203-I219 HydrophobicContact CG-CG2 4.05Å; Y209-I219 VanDerWaalsContact CE1-O 3.31Å; Y209-I219 WeakPolarHBondContact CE1-O 3.39Å; Y209-I219 PolarHBondContact OH-O 3.03Å; L217-I219 HydrophobicContact CB-CD1 4.03Å; L217-I219 HydrophobicContact CB-CG1 3.99Å; L217-I219 HydrophobicContact CD1-CD1 4.19Å; L217-I219 PolarHBondContact O-N 3.16Å; I219-T223 HydrophobicContact CG2-CG2 4.45Å; I219-H278 HydrophobicContact CD1-CB 3.9Å
220S96.3Very high95.5Very high53 Ų5349.7 Ų49.737%0.37127%0.27SS..  trans-69.8137.9176.6178.50000110.6Y209 S222 T223Y209-S220 PolarHBondContact OH-O 2.97Å; S220-S222 PolarHBondContact O-N 3.31Å; S220-S222 PolarHBondContact OG-N 3.49Å; S220-S222 PolarHBondContact OG-OG 3.09Å; S220-T223 WeakPolarHBondContact CB-OG1 3.31Å; S220-T223 PolarHBondContact N-OG1 2.8Å; S220-T223 VanDerWaalsContact O-CB 3.25Å; S220-T223 WeakPolarHBondContact O-CB 3.45Å; S220-T223 PolarHBondContact O-N 3.28Å; S220-T223 PolarHBondContact O-OG1 2.74Å
221P93.4Very high95.8Very high45 Ų4540.3 Ų40.329%0.29223%0.234SC..THydrogen-bonded Turntrans-59.5-26.5172.423.2-32.9000113.7T202 M204 Y209 T223T202-P221 WeakPolarHBondContact CB-O 3.25Å; T202-P221 PolarHBondContact OG1-O 3.06Å; M204-P221 HydrophobicContact CB-CB 4.08Å; M204-P221 WeakPolarHBondContact CB-O 3.32Å; M204-P221 HydrophobicContact CE-CB 3.42Å; M204-P221 VanDerWaalsContact CE-CB 3.42Å; M204-P221 HydrophobicContact CE-CG 4.09Å; M204-P221 PolarHBondContact N-O 3.1Å; M204-P221 HydrophobicContact SD-CB 4.17Å; Y209-P221 HydrophobicContact CD1-CB 4.35Å; Y209-P221 HydrophobicContact CD2-CB 4.03Å; Y209-P221 HydrophobicContact CE1-CB 4.1Å; Y209-P221 HydrophobicContact CE1-CG 4.49Å; Y209-P221 HydrophobicContact CE2-CB 3.76Å; Y209-P221 HydrophobicContact CG-CB 4.32Å; Y209-P221 VanDerWaalsContact CZ-CA 3.45Å; Y209-P221 WeakPolarHBondContact OH-CA 3.3Å; P221-T223 VanDerWaalsContact C-N 3.29Å
222S92.7Very high95.9Very high89 Ų8937.4 Ų37.462%0.62222%0.222SC*.THydrogen-bonded Turntrans-82.3-2.1177.5630000114.1S220 C224S220-S222 PolarHBondContact O-N 3.31Å; S220-S222 PolarHBondContact OG-N 3.49Å; S220-S222 PolarHBondContact OG-OG 3.09Å; S222-C224 PolarHBondContact O-N 2.84Å
223T94.3Very high96Very high38 Ų3830.7 Ų30.723%0.23319%0.193CC..SBendtrans-59.6133.2179.1-52.10000109.5T202 Y203 I219 S220 P221 S225T202-T223 CarbonylContact C-O 3.59Å; T202-T223 WeakPolarHBondContact CA-O 3.37Å; T202-T223 VanDerWaalsContact CB-O 3.31Å; T202-T223 WeakPolarHBondContact CB-O 3.45Å; Y203-T223 HydrophobicContact CD2-CG2 4.02Å; Y203-T223 WeakPolarHBondContact CD2-O 3.37Å; Y203-T223 HydrophobicContact CE2-CG2 3.94Å; Y203-T223 PolarHBondContact N-O 2.82Å; I219-T223 HydrophobicContact CG2-CG2 4.45Å; S220-T223 WeakPolarHBondContact CB-OG1 3.31Å; S220-T223 PolarHBondContact N-OG1 2.8Å; S220-T223 VanDerWaalsContact O-CB 3.25Å; S220-T223 WeakPolarHBondContact O-CB 3.45Å; S220-T223 PolarHBondContact O-N 3.28Å; S220-T223 PolarHBondContact O-OG1 2.74Å; P221-T223 VanDerWaalsContact C-N 3.29Å; T223-S225 PolarHBondContact O-N 2.75Å
224C92.8Very high96.1Very high30 Ų3032.8 Ų32.820%0.20320%0.203CC..BIsolated β-bridgetrans-57133174.2-172.10000110.3C185 Y203 S222C185-C224 HydrophobicContact CB-CB 3.85Å; C185-C224 WeakPolarHBondContact CB-SG 3.43Å; C185-C224 WeakPolarHBondContact SG-CB 3.37Å; C185-C224 CovalentContact SG-SG 2.01Å; C185-C224 PolarHBondContact SG-SG 3.24Å; Y203-C224 VanDerWaalsContact CE2-O 3.26Å; Y203-C224 WeakPolarHBondContact CE2-O 3.2Å; S222-C224 PolarHBondContact O-N 2.84Å
225S92.9Very high96.1Very high0 Ų032.7 Ų32.70%020%0.203CC..PPolyproline II helixtrans-89.2167.7171.5750000110.9D183 D184 N201 Y206 T223D183-S225 CarbonylContact C-O 3.57Å; D184-S225 PolarHBondContact N-O 2.76Å; N201-S225 WeakPolarHBondContact CB-OG 3.02Å; N201-S225 VanDerWaalsContact O-CB 3.23Å; N201-S225 WeakPolarHBondContact O-CB 3.3Å; N201-S225 PolarHBondContact O-N 3.17Å; N201-S225 PolarHBondContact O-OG 2.01Å; Y206-S225 WeakPolarHBondContact CE2-OG 3.33Å; T223-S225 PolarHBondContact O-N 2.75Å
226F94.4Very high96.2Very high0 Ų030 Ų300%020%0.196CC..EExtended strand (participates in β ladder)trans-117.8158.9169.463.6-107.2000110.5F181 S182 P228 M273 L274 F277 Y281F181-F226 HydrophobicContact CB-CB 3.75Å; F181-F226 HydrophobicContact CB-CD2 3.66Å; F181-F226 HydrophobicContact CB-CE2 4.42Å; F181-F226 HydrophobicContact CB-CG 3.75Å; F181-F226 AromaticContact CD1-CD2 3.75Å; F181-F226 HydrophobicContact CD1-CD2 3.75Å; F181-F226 AromaticContact CD1-CE2 3.8Å; F181-F226 HydrophobicContact CD1-CE2 3.8Å; F181-F226 HydrophobicContact CD2-CD1 4.22Å; F181-F226 AromaticContact CD2-CD2 3.84Å; F181-F226 HydrophobicContact CD2-CD2 3.84Å; F181-F226 HydrophobicContact CD2-CE1 4.14Å; F181-F226 AromaticContact CD2-CE2 3.78Å; F181-F226 HydrophobicContact CD2-CE2 3.78Å; F181-F226 HydrophobicContact CD2-CG 4.07Å; F181-F226 AromaticContact CD2-CZ 3.93Å; F181-F226 HydrophobicContact CD2-CZ 3.93Å; F181-F226 HydrophobicContact CE1-CD2 4.34Å; F181-F226 AromaticContact CE1-CE2 3.91Å; F181-F226 HydrophobicContact CE1-CE2 3.91Å; F181-F226 HydrophobicContact CE2-CD2 4.44Å; F181-F226 HydrophobicContact CE2-CE1 4.38Å; F181-F226 AromaticContact CE2-CE2 3.93Å; F181-F226 HydrophobicContact CE2-CE2 3.93Å; F181-F226 AromaticContact CE2-CZ 3.89Å; F181-F226 HydrophobicContact CE2-CZ 3.89Å; F181-F226 HydrophobicContact CG-CB 4.45Å; F181-F226 AromaticContact CG-CD2 3.46Å; F181-F226 HydrophobicContact CG-CD2 3.46Å; F181-F226 VanDerWaalsContact CG-CD2 3.46Å; F181-F226 AromaticContact CG-CE2 3.73Å; F181-F226 HydrophobicContact CG-CE2 3.73Å; F181-F226 AromaticContact CG-CG 3.91Å; F181-F226 HydrophobicContact CG-CG 3.91Å; F181-F226 HydrophobicContact CG-CZ 4.36Å; F181-F226 AromaticContact CZ-CE2 3.99Å; F181-F226 HydrophobicContact CZ-CE2 3.99Å; F181-F226 HydrophobicContact CZ-CZ 4.24Å; S182-F226 CarbonylContact O-C 3.43Å; S182-F226 VanDerWaalsContact O-CA 3.24Å; S182-F226 WeakPolarHBondContact O-CA 3.26Å; S182-F226 VanDerWaalsContact O-CB 3.26Å; S182-F226 WeakPolarHBondContact O-CB 2.94Å; F226-P228 HydrophobicContact CE2-CB 4.39Å; F226-M273 HydrophobicContact CE2-CB 4.15Å; F226-M273 HydrophobicContact CZ-CB 4.08Å; F226-L274 HydrophobicContact CD1-CD2 3.72Å; F226-L274 HydrophobicContact CD2-CD2 4.19Å; F226-L274 HydrophobicContact CE1-CD2 3.73Å; F226-L274 HydrophobicContact CE2-CD2 4.18Å; F226-L274 HydrophobicContact CG-CD2 3.95Å; F226-L274 HydrophobicContact CZ-CD2 3.96Å; F226-F277 HydrophobicContact CE1-CB 3.84Å; F226-F277 HydrophobicContact CZ-CB 3.82Å; F226-F277 HydrophobicContact CZ-CD2 4.43Å; F226-F277 HydrophobicContact CZ-CG 4.45Å; F226-Y281 HydrophobicContact CB-CE2 4.27Å; F226-Y281 HydrophobicContact CD1-CD1 4.24Å; F226-Y281 AromaticContact CD1-CE1 3.85Å; F226-Y281 HydrophobicContact CD1-CE1 3.85Å; F226-Y281 HydrophobicContact CD1-CE2 4.15Å; F226-Y281 AromaticContact CD1-CZ 3.8Å; F226-Y281 HydrophobicContact CE1-CD1 4.31Å; F226-Y281 HydrophobicContact CE1-CE1 4.25Å; F226-Y281 HydrophobicContact CG-CE2 4.49Å
227N93.5Very high96.2Very high16 Ų1627.1 Ų27.19%0.08618%0.179CC..EExtended strand (participates in β ladder)trans-99122.9176.5-170.1-71000111.1S182 D184 G229 H289S182-N227 PolarHBondContact O-N 3.27Å; D184-N227 HydrophobicContact CB-CB 4.06Å; N227-G229 VanDerWaalsContact C-N 3.29Å; N227-G229 PolarHBondContact O-N 2.91Å; N227-G229 WeakPolarHBondContact OD1-CA 3.41Å; N227-G229 PolarHBondContact OD1-N 3.26Å; N227-H289 PolarHBondContact OD1-CE1 3.15Å; N227-H289 VanDerWaalsContact OD1-CE1 3.28Å
228P95Very high96.3Very high4 Ų424.6 Ų24.63%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-88.515.5-177.436.9-37.4000114.1F181 F226 V230 I231 T270 M273F181-P228 HydrophobicContact CE1-CB 4.48Å; F226-P228 HydrophobicContact CE2-CB 4.39Å; P228-V230 VanDerWaalsContact C-N 3.31Å; P228-I231 WeakPolarHBondContact O-CD1 3.49Å; P228-I231 WeakPolarHBondContact O-CG1 3.16Å; P228-T270 HydrophobicContact CG-CG2 4.05Å; P228-M273 HydrophobicContact CB-CE 3.73Å; P228-M273 HydrophobicContact CB-SD 3.5Å; P228-M273 VanDerWaalsContact CB-SD 3.5Å; P228-M273 HydrophobicContact CG-SD 4.19Å
229G95.6Very high96.3Very high0 Ų025.9 Ų25.90%015%0.152CC..EExtended strand (participates in β ladder)trans-81.4-9.9177.100000114.2L155 D156 N227L155-G229 CarbonylContact C-O 3.46Å; L155-G229 WeakPolarHBondContact CA-O 3.28Å; D156-G229 PolarHBondContact N-O 3.01Å; D156-G229 VanDerWaalsContact OD2-CA 3.24Å; D156-G229 WeakPolarHBondContact OD2-CA 3.12Å; N227-G229 VanDerWaalsContact C-N 3.29Å; N227-G229 PolarHBondContact O-N 2.91Å; N227-G229 WeakPolarHBondContact OD1-CA 3.41Å; N227-G229 PolarHBondContact OD1-N 3.26Å
230V98.2Very high96.4Very high0 Ų032 Ų320%018%0.18CC..EExtended strand (participates in β ladder)trans-134.3121.9168.9179.80000106.8Y154 L155 L168 P228 I284 H289 L311Y154-V230 WeakPolarHBondContact O-CA 3.38Å; L155-V230 HydrophobicContact CD2-CB 4.24Å; L155-V230 HydrophobicContact CD2-CG1 3.85Å; L155-V230 HydrophobicContact CD2-CG2 3.89Å; L168-V230 HydrophobicContact CD1-CG1 4.38Å; L168-V230 HydrophobicContact CD2-CG1 3.93Å; P228-V230 VanDerWaalsContact C-N 3.31Å; V230-I284 HydrophobicContact CB-CD1 4.49Å; V230-I284 HydrophobicContact CG1-CD1 3.86Å; V230-H289 VanDerWaalsContact CG2-CD2 3.49Å; V230-H289 WeakPolarHBondContact CG2-CD2 3.12Å; V230-H289 VanDerWaalsContact CG2-NE2 3.34Å; V230-H289 WeakPolarHBondContact CG2-NE2 3.29Å; V230-L311 HydrophobicContact CG1-CD1 4.47Å; V230-L311 HydrophobicContact CG2-CD1 3.74Å; V230-L311 HydrophobicContact CG2-CD2 3.95Å
231I98.7Very high96.5Very high0 Ų031.9 Ų31.90%017%0.173CC..EExtended strand (participates in β ladder)trans-136.2129.3-177-43.5176.2000109R139 I153 Y154 A179 F181 P228 A233 M273R139-I231 HydrophobicContact CB-CD1 3.94Å; I153-I231 CarbonylContact C-O 3.57Å; I153-I231 WeakPolarHBondContact CA-O 3.2Å; Y154-I231 HydrophobicContact CD1-CD1 3.78Å; Y154-I231 HydrophobicContact CD1-CG1 4.01Å; Y154-I231 HydrophobicContact CG-CD1 4.3Å; Y154-I231 PolarHBondContact N-O 3.3Å; Y154-I231 PolarHBondContact O-N 3.36Å; A179-I231 HydrophobicContact CB-CG2 3.96Å; F181-I231 HydrophobicContact CD1-CB 4.48Å; F181-I231 HydrophobicContact CD1-CG1 4.02Å; F181-I231 HydrophobicContact CD1-CG2 4.21Å; F181-I231 HydrophobicContact CE1-CB 4.16Å; F181-I231 HydrophobicContact CE1-CD1 3.92Å; F181-I231 HydrophobicContact CE1-CG1 3.67Å; F181-I231 HydrophobicContact CE1-CG2 3.61Å; F181-I231 HydrophobicContact CZ-CG2 4.13Å; P228-I231 WeakPolarHBondContact O-CD1 3.49Å; P228-I231 WeakPolarHBondContact O-CG1 3.16Å; I231-A233 HydrophobicContact CG2-CB 4.05Å; I231-M273 HydrophobicContact CD1-CE 3.83Å
232V98.8Very high96.7Very high0 Ų037.8 Ų37.80%019%0.19CC..EExtended strand (participates in β ladder)trans-101108.5160.9-176.70000106.9K151 I153 L168 A179 A180 I284K151-V232 HydrophobicContact CD-CG1 4.09Å; K151-V232 HydrophobicContact CG-CG1 4.17Å; I153-V232 HydrophobicContact CG1-CG2 4.48Å; L168-V232 HydrophobicContact CD1-CG2 3.82Å; L168-V232 HydrophobicContact CG-CG2 3.98Å; L168-V232 WeakPolarHBondContact O-CG2 3.34Å; A179-V232 CarbonylContact C-O 3.47Å; A179-V232 WeakPolarHBondContact CA-O 3.28Å; A180-V232 HydrophobicContact CB-CB 4.3Å; A180-V232 PolarHBondContact N-O 2.93Å; A180-V232 PolarHBondContact O-N 3.07Å; V232-I284 HydrophobicContact CG2-CD1 4.25Å
233A98.8Very high97Very high0 Ų033.7 Ų33.70%016%0.161CC..EExtended strand (participates in β ladder)trans-110.6124.9-170.700000111.6L142 K151 V152 A178 I231 M235 W238L142-A233 HydrophobicContact CD1-CB 4.19Å; K151-A233 CarbonylContact C-O 3.43Å; K151-A233 WeakPolarHBondContact CA-O 3.43Å; V152-A233 HydrophobicContact CG2-CB 4.15Å; V152-A233 PolarHBondContact N-O 2.97Å; V152-A233 PolarHBondContact O-N 3.45Å; A178-A233 CarbonylContact O-C 3.57Å; A178-A233 WeakPolarHBondContact O-CA 3.46Å; I231-A233 HydrophobicContact CG2-CB 4.05Å; A233-M235 HydrophobicContact CB-SD 3.91Å; A233-M235 PolarHBondContact O-N 3.28Å; A233-W238 HydrophobicContact CB-CE3 4.1Å; A233-W238 HydrophobicContact CB-CZ3 4.11Å
234N98.6Very high97.2Very high48 Ų4832.5 Ų32.526%0.25715%0.154SC..EExtended strand (participates in β ladder)trans-82.2103.4164.8-176.1-34.7000109E150 L173 A178 T236 E237 W238E150-N234 CarbonylContact O-C 3.59Å; E150-N234 WeakPolarHBondContact O-CA 3.39Å; E150-N234 PolarHBondContact O-OD1 2.86Å; L173-N234 HydrophobicContact CD1-CB 3.58Å; A178-N234 PolarHBondContact O-N 2.72Å; N234-T236 VanDerWaalsContact C-N 3.3Å; N234-T236 PolarHBondContact O-N 3.07Å; N234-T236 WeakPolarHBondContact OD1-CB 3.31Å; N234-T236 PolarHBondContact OD1-N 2.62Å; N234-E237 HydrophobicContact CB-CB 4.07Å; N234-E237 PolarHBondContact O-N 2.89Å; N234-E237 PolarHBondContact OD1-N 2.91Å; N234-W238 WeakPolarHBondContact O-CB 3.45Å; N234-W238 PolarHBondContact O-N 3.18Å
235M98.3Very high97.5Very high0 Ų037.5 Ų37.50%017%0.172CC..Hα-helixtrans-65.9-33.9-176.8-53.9-48.3-73.600112.3L142 P143 H149 E150 V152 A233 K239L142-M235 HydrophobicContact CB-CE 3.46Å; L142-M235 VanDerWaalsContact CB-CE 3.46Å; L142-M235 HydrophobicContact CB-SD 4.21Å; L142-M235 WeakPolarHBondContact O-CE 3.33Å; P143-M235 HydrophobicContact CB-CE 3.61Å; P143-M235 HydrophobicContact CG-CE 3.47Å; P143-M235 VanDerWaalsContact CG-CE 3.47Å; P143-M235 HydrophobicContact CG-SD 4.46Å; H149-M235 VanDerWaalsContact O-CB 3.3Å; H149-M235 WeakPolarHBondContact O-CB 3.29Å; H149-M235 WeakPolarHBondContact O-CG 3.39Å; E150-M235 WeakPolarHBondContact O-CB 3.42Å; E150-M235 PolarHBondContact O-N 2.98Å; V152-M235 HydrophobicContact CB-SD 4.4Å; V152-M235 HydrophobicContact CG1-CG 3.82Å; V152-M235 HydrophobicContact CG1-SD 4.1Å; V152-M235 HydrophobicContact CG2-CE 4.35Å; V152-M235 HydrophobicContact CG2-CG 4.28Å; V152-M235 HydrophobicContact CG2-SD 3.52Å; V152-M235 VanDerWaalsContact CG2-SD 3.52Å; A233-M235 HydrophobicContact CB-SD 3.91Å; A233-M235 PolarHBondContact O-N 3.28Å; M235-K239 WeakPolarHBondContact O-CB 3.43Å; M235-K239 WeakPolarHBondContact O-CE 3.29Å; M235-K239 VanDerWaalsContact O-CG 3.28Å; M235-K239 WeakPolarHBondContact O-CG 3.01Å; M235-K239 PolarHBondContact O-N 2.83Å
236T97.8Very high97.8Very high63 Ų6341 Ų4139%0.38719%0.188SC..Hα-helixtrans-67.9-50.5178.2-63.40000110.4N234 W238 K239 H240N234-T236 VanDerWaalsContact C-N 3.3Å; N234-T236 PolarHBondContact O-N 3.07Å; N234-T236 WeakPolarHBondContact OD1-CB 3.31Å; N234-T236 PolarHBondContact OD1-N 2.62Å; T236-W238 PolarHBondContact O-N 3.06Å; T236-K239 PolarHBondContact O-N 3.01Å; T236-H240 WeakPolarHBondContact O-CB 3.3Å; T236-H240 PolarHBondContact O-N 3.31Å
237E98.4Very high98Very high43 Ų4341 Ų4120%0.20119%0.188CC..Hα-helixtrans-65.8-39.4177.8-169.358-144.300111.5A178 N234 K239 H240 Q241A178-E237 HydrophobicContact CB-CB 4.1Å; A178-E237 HydrophobicContact CB-CG 3.96Å; N234-E237 HydrophobicContact CB-CB 4.07Å; N234-E237 PolarHBondContact O-N 2.89Å; N234-E237 PolarHBondContact OD1-N 2.91Å; E237-K239 VanDerWaalsContact C-N 3.34Å; E237-K239 PolarHBondContact O-N 3.04Å; E237-H240 WeakPolarHBondContact O-CB 3.37Å; E237-H240 PolarHBondContact O-N 3.46Å; E237-H240 IonicContact OE1-CD2 3.9Å; E237-Q241 PolarHBondContact O-N 3.35Å; E237-Q241 WeakPolarHBondContact OE1-CG 3.49Å; E237-Q241 PolarHBondContact OE1-NE2 3.33Å
238W98.6Very high98.2Very high1 Ų142.2 Ų42.20%0.00419%0.194CC..Hα-helixtrans-59.4-43.5175.9-166.8-59.6000112.3R139 P143 A178 A179 A233 N234 T236 R242 I243 T244 L247 F277R139-W238 WeakPolarHBondContact O-CH2 3.49Å; P143-W238 HydrophobicContact CG-CB 4.01Å; P143-W238 HydrophobicContact CG-CD2 4.32Å; P143-W238 HydrophobicContact CG-CG 3.67Å; A178-W238 HydrophobicContact CB-CB 4.11Å; A179-W238 HydrophobicContact CB-CZ3 4.17Å; A233-W238 HydrophobicContact CB-CE3 4.1Å; A233-W238 HydrophobicContact CB-CZ3 4.11Å; N234-W238 WeakPolarHBondContact O-CB 3.45Å; N234-W238 PolarHBondContact O-N 3.18Å; T236-W238 PolarHBondContact O-N 3.06Å; W238-R242 PolarHBondContact O-N 3.18Å; W238-I243 HydrophobicContact CB-CD1 4.42Å; W238-I243 HydrophobicContact CD2-CB 4.12Å; W238-I243 HydrophobicContact CD2-CD1 4.24Å; W238-I243 HydrophobicContact CD2-CG2 3.92Å; W238-I243 HydrophobicContact CG-CB 3.92Å; W238-I243 HydrophobicContact CG-CD1 4.14Å; W238-I243 HydrophobicContact CG-CG1 4.49Å; W238-I243 HydrophobicContact CG-CG2 4.28Å; W238-I243 HydrophobicContact CH2-CG2 4.43Å; W238-I243 HydrophobicContact CZ2-CG2 3.66Å; W238-I243 PolarHBondContact O-N 3.18Å; W238-I243 VanDerWaalsContact O-N 3.12Å; W238-T244 PolarHBondContact NE1-OG1 3.25Å; W238-T244 VanDerWaalsContact NE1-OG1 3.11Å; W238-L247 HydrophobicContact CZ2-CD1 3.84Å; W238-F277 HydrophobicContact CD2-CZ 4.41Å; W238-F277 AromaticContact CE3-CZ 3.9Å; W238-F277 HydrophobicContact CE3-CZ 3.9Å; W238-F277 AromaticContact CH2-CE2 3.92Å; W238-F277 HydrophobicContact CH2-CE2 3.92Å; W238-F277 AromaticContact CH2-CZ 3.66Å; W238-F277 HydrophobicContact CH2-CZ 3.66Å; W238-F277 HydrophobicContact CZ2-CE2 4.38Å; W238-F277 HydrophobicContact CZ2-CZ 4.17Å; W238-F277 HydrophobicContact CZ3-CE1 4.43Å; W238-F277 HydrophobicContact CZ3-CE2 4.22Å; W238-F277 AromaticContact CZ3-CZ 3.52Å; W238-F277 HydrophobicContact CZ3-CZ 3.52Å
239K98.4Very high98.3Very high98 Ų9848.8 Ų48.843%0.42622%0.221SC..Hα-helixtrans-65.5-46.4173.8-76.3178.7-65.2-172.90111.2P143 M235 T236 E237 Q241 R242P143-K239 HydrophobicContact CB-CD 3.96Å; P143-K239 HydrophobicContact CB-CG 3.53Å; P143-K239 HydrophobicContact CG-CG 4.32Å; M235-K239 WeakPolarHBondContact O-CB 3.43Å; M235-K239 WeakPolarHBondContact O-CE 3.29Å; M235-K239 VanDerWaalsContact O-CG 3.28Å; M235-K239 WeakPolarHBondContact O-CG 3.01Å; M235-K239 PolarHBondContact O-N 2.83Å; T236-K239 PolarHBondContact O-N 3.01Å; E237-K239 VanDerWaalsContact C-N 3.34Å; E237-K239 PolarHBondContact O-N 3.04Å; K239-Q241 VanDerWaalsContact C-N 3.34Å; K239-Q241 PolarHBondContact O-N 3.46Å; K239-R242 PolarHBondContact O-N 2.92Å
240H98.3Very high98.4Very high145 Ų14550.4 Ų50.467%0.67123%0.228SC*.Hα-helixtrans-56.1-47.7-179.6-177.473.1000111.6T236 E237 R242T236-H240 WeakPolarHBondContact O-CB 3.3Å; T236-H240 PolarHBondContact O-N 3.31Å; E237-H240 WeakPolarHBondContact O-CB 3.37Å; E237-H240 PolarHBondContact O-N 3.46Å; E237-H240 IonicContact OE1-CD2 3.9Å; H240-R242 VanDerWaalsContact C-N 3.26Å; H240-R242 PolarHBondContact O-N 3.42Å
241Q98.5Very high98.3Very high49 Ų4950.6 Ų50.623%0.22923%0.229CC..THydrogen-bonded Turntrans-79.2-3.3178.5-65.8-172.341.500114.2G176 E237 K239 I243 Q246G176-Q241 PolarHBondContact O-NE2 2.66Å; E237-Q241 PolarHBondContact O-N 3.35Å; E237-Q241 WeakPolarHBondContact OE1-CG 3.49Å; E237-Q241 PolarHBondContact OE1-NE2 3.33Å; K239-Q241 VanDerWaalsContact C-N 3.34Å; K239-Q241 PolarHBondContact O-N 3.46Å; Q241-I243 HydrophobicContact CB-CD1 4.26Å; Q241-I243 HydrophobicContact CB-CG1 3.82Å; Q241-I243 PolarHBondContact O-N 2.88Å; Q241-Q246 PolarHBondContact O-NE2 3.13Å
242R98.5Very high98.2Very high169 Ų16954.7 Ų54.764%0.63825%0.248SC*.THydrogen-bonded Turntrans54.637.9-177.7-54.7176.6174.4-177.4-0.6112.9W238 K239 H240 T244 K245 Q246W238-R242 PolarHBondContact O-N 3.18Å; K239-R242 PolarHBondContact O-N 2.92Å; H240-R242 VanDerWaalsContact C-N 3.26Å; H240-R242 PolarHBondContact O-N 3.42Å; R242-T244 VanDerWaalsContact C-N 3.3Å; R242-T244 PolarHBondContact O-N 3.12Å; R242-K245 HydrophobicContact CB-CB 4.5Å; R242-K245 HydrophobicContact CB-CD 4.45Å; R242-K245 WeakPolarHBondContact O-CB 3.39Å; R242-K245 PolarHBondContact O-N 2.73Å; R242-Q246 PolarHBondContact O-N 3.12Å
243I98.8Very high98.1Very high3 Ų357.3 Ų57.32%0.01526%0.259CS..Hα-helixtrans-57.3-40.8-172.7-70.9177.2000112.2A178 W238 Q241 K245 Q246 L247 V276 F277A178-I243 HydrophobicContact CB-CD1 3.25Å; W238-I243 HydrophobicContact CB-CD1 4.42Å; W238-I243 HydrophobicContact CD2-CB 4.12Å; W238-I243 HydrophobicContact CD2-CD1 4.24Å; W238-I243 HydrophobicContact CD2-CG2 3.92Å; W238-I243 HydrophobicContact CG-CB 3.92Å; W238-I243 HydrophobicContact CG-CD1 4.14Å; W238-I243 HydrophobicContact CG-CG1 4.49Å; W238-I243 HydrophobicContact CG-CG2 4.28Å; W238-I243 HydrophobicContact CH2-CG2 4.43Å; W238-I243 HydrophobicContact CZ2-CG2 3.66Å; W238-I243 PolarHBondContact O-N 3.18Å; W238-I243 VanDerWaalsContact O-N 3.12Å; Q241-I243 HydrophobicContact CB-CD1 4.26Å; Q241-I243 HydrophobicContact CB-CG1 3.82Å; Q241-I243 PolarHBondContact O-N 2.88Å; I243-K245 VanDerWaalsContact C-N 3.26Å; I243-K245 PolarHBondContact O-N 2.86Å; I243-Q246 WeakPolarHBondContact O-CA 3.29Å; I243-Q246 WeakPolarHBondContact O-CB 3.42Å; I243-Q246 PolarHBondContact O-N 3.44Å; I243-L247 HydrophobicContact CG2-CD1 3.92Å; I243-L247 HydrophobicContact CG2-CG 4.19Å; I243-L247 WeakPolarHBondContact O-CG 3.37Å; I243-L247 PolarHBondContact O-N 3.24Å; I243-V276 HydrophobicContact CG2-CG1 3.9Å; I243-F277 HydrophobicContact CD1-CE1 3.75Å; I243-F277 HydrophobicContact CD1-CZ 3.83Å; I243-F277 HydrophobicContact CG2-CE2 3.88Å; I243-F277 HydrophobicContact CG2-CZ 3.66Å
244T98.6Very high97.9Very high14 Ų1457.8 Ų57.89%0.08626%0.262CS..Hα-helixtrans-54.3-42176.3-57.10000112.3F140 Y141 L144 W238 R242 Q246 L247 E248F140-T244 WeakPolarHBondContact O-CB 3.32Å; F140-T244 VanDerWaalsContact O-CG2 3.26Å; F140-T244 WeakPolarHBondContact O-CG2 3.49Å; F140-T244 PolarHBondContact O-OG1 2.99Å; Y141-T244 HydrophobicContact CD1-CG2 3.66Å; Y141-T244 HydrophobicContact CE1-CG2 3.9Å; L144-T244 HydrophobicContact CD1-CG2 4.14Å; W238-T244 PolarHBondContact NE1-OG1 3.25Å; W238-T244 VanDerWaalsContact NE1-OG1 3.11Å; R242-T244 VanDerWaalsContact C-N 3.3Å; R242-T244 PolarHBondContact O-N 3.12Å; T244-Q246 VanDerWaalsContact C-N 3.33Å; T244-Q246 PolarHBondContact O-N 3.31Å; T244-L247 PolarHBondContact O-N 3.28Å; T244-E248 WeakPolarHBondContact O-CG 3.34Å; T244-E248 PolarHBondContact O-N 2.83Å
245K98.6Very high97.6Very high135 Ų13558 Ų5859%0.58727%0.265SS*.Hα-helixtrans-67.6-34.5177.1-65.1-173.5177.2-176.90112.3R242 I243 K249R242-K245 HydrophobicContact CB-CB 4.5Å; R242-K245 HydrophobicContact CB-CD 4.45Å; R242-K245 WeakPolarHBondContact O-CB 3.39Å; R242-K245 PolarHBondContact O-N 2.73Å; I243-K245 VanDerWaalsContact C-N 3.26Å; I243-K245 PolarHBondContact O-N 2.86Å; K245-K249 WeakPolarHBondContact O-CB 3.24Å; K245-K249 PolarHBondContact O-N 2.93Å
246Q98.8Very high97.4Very high74 Ų7465.2 Ų65.235%0.34630%0.298SS..Hα-helixtrans-67.3-42.4175.9-57.5-176.153.400110.9Q241 R242 I243 T244 K249 W250 V276Q241-Q246 PolarHBondContact O-NE2 3.13Å; R242-Q246 PolarHBondContact O-N 3.12Å; I243-Q246 WeakPolarHBondContact O-CA 3.29Å; I243-Q246 WeakPolarHBondContact O-CB 3.42Å; I243-Q246 PolarHBondContact O-N 3.44Å; T244-Q246 VanDerWaalsContact C-N 3.33Å; T244-Q246 PolarHBondContact O-N 3.31Å; Q246-K249 WeakPolarHBondContact O-CB 3.41Å; Q246-K249 PolarHBondContact O-N 3.33Å; Q246-W250 VanDerWaalsContact O-CD1 3.26Å; Q246-W250 PolarHBondContact O-N 2.83Å; Q246-V276 HydrophobicContact CB-CG1 4.02Å; Q246-V276 HydrophobicContact CB-CG2 3.8Å
247L98.6Very high97.3Very high0 Ų065.7 Ų65.70%030%0.296CS..Hα-helixtrans-61.2-49.2175.2-65.6169.2000110.9F140 W238 I243 T244 K249 W250 M251 P272 M273 V276F140-L247 HydrophobicContact CB-CB 4.5Å; F140-L247 HydrophobicContact CB-CD1 3.78Å; F140-L247 HydrophobicContact CD1-CD1 3.87Å; F140-L247 HydrophobicContact CD2-CB 3.84Å; F140-L247 HydrophobicContact CD2-CD1 4.24Å; F140-L247 HydrophobicContact CE2-CB 4.26Å; F140-L247 HydrophobicContact CG-CB 4.17Å; F140-L247 HydrophobicContact CG-CD1 3.7Å; F140-L247 HydrophobicContact CG-CG 4.44Å; W238-L247 HydrophobicContact CZ2-CD1 3.84Å; I243-L247 HydrophobicContact CG2-CD1 3.92Å; I243-L247 HydrophobicContact CG2-CG 4.19Å; I243-L247 WeakPolarHBondContact O-CG 3.37Å; I243-L247 PolarHBondContact O-N 3.24Å; T244-L247 PolarHBondContact O-N 3.28Å; L247-K249 VanDerWaalsContact C-N 3.3Å; L247-K249 PolarHBondContact O-N 2.73Å; L247-W250 PolarHBondContact O-N 3.35Å; L247-W250 VanDerWaalsContact O-N 3.1Å; L247-M251 WeakPolarHBondContact O-CG 3.45Å; L247-M251 PolarHBondContact O-N 3.5Å; L247-P272 HydrophobicContact CD2-CB 4.09Å; L247-M273 HydrophobicContact CD2-CB 4.41Å; L247-M273 HydrophobicContact CD2-CG 3.87Å; L247-V276 HydrophobicContact CD2-CB 3.89Å; L247-V276 HydrophobicContact CD2-CG1 4.39Å; L247-V276 HydrophobicContact CD2-CG2 3.77Å; L247-V276 HydrophobicContact CG-CG2 4.25Å
248E98.1Very high97Very high41 Ų4166 Ų6619%0.19230%0.3CS..Hα-helixtrans-58-40176.7-72.3-177.7142.600112.9K121 Y141 T244 W250 M251 Q252K121-E248 HydrophobicContact CD-CB 4.36Å; K121-E248 HydrophobicContact CD-CG 4.14Å; K121-E248 IonicContact NZ-OE1 3.95Å; K121-E248 PolarHBondContact NZ-OE1 2.72Å; K121-E248 IonicContact NZ-OE2 2.97Å; Y141-E248 HydrophobicContact CE1-CG 4.36Å; Y141-E248 WeakPolarHBondContact CE1-OE1 3.35Å; Y141-E248 PolarHBondContact OH-OE1 3.15Å; T244-E248 WeakPolarHBondContact O-CG 3.34Å; T244-E248 PolarHBondContact O-N 2.83Å; E248-W250 VanDerWaalsContact C-N 3.31Å; E248-W250 PolarHBondContact O-N 3.28Å; E248-M251 WeakPolarHBondContact O-CB 3.35Å; E248-M251 PolarHBondContact O-N 3.07Å; E248-Q252 WeakPolarHBondContact O-CG 3.46Å; E248-Q252 PolarHBondContact O-N 3.02Å
249K98.2Very high96.7Very high141 Ų14166 Ų6661%0.61330%0.299SS*.Hα-helixtrans-58.8-43.8175.5179.4-177.4177.4-178.60111.4K245 Q246 L247 Q252 K253K245-K249 WeakPolarHBondContact O-CB 3.24Å; K245-K249 PolarHBondContact O-N 2.93Å; Q246-K249 WeakPolarHBondContact O-CB 3.41Å; Q246-K249 PolarHBondContact O-N 3.33Å; L247-K249 VanDerWaalsContact C-N 3.3Å; L247-K249 PolarHBondContact O-N 2.73Å; K249-Q252 PolarHBondContact O-N 2.99Å; K249-K253 WeakPolarHBondContact O-CB 3.46Å; K249-K253 PolarHBondContact O-N 3.12Å
250W97.6Very high96.4Very high34 Ų3462.2 Ų62.213%0.12928%0.282CS..Hα-helixtrans-70.3-35.3177.9-79.6109000112.9I214 L217 Q246 L247 E248 K253 N254 L259 Y260 P272 I275I214-W250 HydrophobicContact CD1-CZ3 4.47Å; L217-W250 HydrophobicContact CD1-CH2 3.98Å; L217-W250 HydrophobicContact CD1-CZ2 4.48Å; L217-W250 HydrophobicContact CD2-CH2 3.59Å; L217-W250 HydrophobicContact CD2-CZ2 3.58Å; L217-W250 HydrophobicContact CG-CH2 4.03Å; L217-W250 HydrophobicContact CG-CZ2 4.47Å; Q246-W250 VanDerWaalsContact O-CD1 3.26Å; Q246-W250 PolarHBondContact O-N 2.83Å; L247-W250 PolarHBondContact O-N 3.35Å; L247-W250 VanDerWaalsContact O-N 3.1Å; E248-W250 VanDerWaalsContact C-N 3.31Å; E248-W250 PolarHBondContact O-N 3.28Å; W250-K253 HydrophobicContact CE3-CD 4.13Å; W250-K253 HydrophobicContact CH2-CD 4.46Å; W250-K253 HydrophobicContact CZ3-CD 3.88Å; W250-K253 PolarHBondContact O-N 2.95Å; W250-N254 WeakPolarHBondContact O-CB 3.27Å; W250-N254 PolarHBondContact O-N 2.94Å; W250-L259 HydrophobicContact CE3-CD1 4.03Å; W250-L259 HydrophobicContact CZ3-CD1 3.8Å; W250-Y260 VanDerWaalsContact C-OH 3.27Å; W250-Y260 PolarHBondContact O-OH 3.26Å; W250-P272 HydrophobicContact CB-CB 3.86Å; W250-I275 HydrophobicContact CD2-CB 4.45Å; W250-I275 HydrophobicContact CD2-CD1 3.88Å; W250-I275 HydrophobicContact CD2-CG2 3.9Å; W250-I275 HydrophobicContact CE3-CD1 3.68Å; W250-I275 HydrophobicContact CG-CD1 4.37Å; W250-I275 HydrophobicContact CG-CG2 4.34Å; W250-I275 HydrophobicContact CH2-CG2 4.17Å; W250-I275 HydrophobicContact CZ2-CG2 3.53Å; W250-I275 HydrophobicContact CZ3-CD1 4.01Å
251M95.9Very high95.7Very high5 Ų556.5 Ų56.53%0.02526%0.259CS..Hα-helixtrans-59.3-49.1172.3-69.9179.775.300111.7L118 K121 I122 F137 F140 L247 E248 N254 V255 P272L118-M251 HydrophobicContact CD2-CE 4.05Å; K121-M251 HydrophobicContact CB-CB 4.01Å; K121-M251 HydrophobicContact CB-CE 3.77Å; K121-M251 HydrophobicContact CB-SD 4.38Å; K121-M251 CarbonylContact O-C 3.52Å; K121-M251 WeakPolarHBondContact O-CB 3.46Å; I122-M251 HydrophobicContact CD1-CE 4.41Å; I122-M251 HydrophobicContact CG1-CE 3.75Å; F137-M251 HydrophobicContact CD1-CE 3.51Å; F137-M251 HydrophobicContact CD1-SD 4.25Å; F137-M251 HydrophobicContact CE1-CE 3.58Å; F137-M251 HydrophobicContact CG-CE 4.36Å; F137-M251 HydrophobicContact CZ-CE 4.46Å; F140-M251 HydrophobicContact CD2-CG 4.44Å; F140-M251 HydrophobicContact CD2-SD 3.57Å; F140-M251 VanDerWaalsContact CD2-SD 3.57Å; F140-M251 HydrophobicContact CE2-CE 4.45Å; F140-M251 HydrophobicContact CE2-CG 3.86Å; F140-M251 HydrophobicContact CE2-SD 3.46Å; F140-M251 WeakPolarHBondContact CE2-SD 3.18Å; L247-M251 WeakPolarHBondContact O-CG 3.45Å; L247-M251 PolarHBondContact O-N 3.5Å; E248-M251 WeakPolarHBondContact O-CB 3.35Å; E248-M251 PolarHBondContact O-N 3.07Å; M251-N254 WeakPolarHBondContact O-CB 3.35Å; M251-N254 PolarHBondContact O-N 3.45Å; M251-V255 PolarHBondContact O-N 3.37Å; M251-V255 VanDerWaalsContact O-N 3.13Å; M251-P272 HydrophobicContact CG-CG 4.47Å
252Q96.3Very high94.3Very high86 Ų8657.7 Ų57.740%0.40227%0.273SS..Hα-helixtrans-62.8-45.7177.3-71.6174.3-22.900111.8K121 E248 K249 N254 V255 E256K121-Q252 HydrophobicContact CB-CG 4.49Å; K121-Q252 HydrophobicContact CG-CG 3.92Å; E248-Q252 WeakPolarHBondContact O-CG 3.46Å; E248-Q252 PolarHBondContact O-N 3.02Å; K249-Q252 PolarHBondContact O-N 2.99Å; Q252-N254 PolarHBondContact O-N 2.93Å; Q252-V255 WeakPolarHBondContact O-CA 3.33Å; Q252-V255 VanDerWaalsContact O-CB 3.32Å; Q252-V255 WeakPolarHBondContact O-CB 3.35Å; Q252-V255 PolarHBondContact O-N 3.03Å; Q252-E256 PolarHBondContact O-N 3.09Å; Q252-E256 VanDerWaalsContact O-N 3.11Å
253K96.1Very high92.6Very high55 Ų5552 Ų5224%0.23926%0.259CS..Hα-helixtrans-59.7-34.8176.7-159.3-178.7-178.9174.20112.3A213 K249 W250 E256 E257 L259A213-K253 HydrophobicContact CB-CD 4.46Å; A213-K253 VanDerWaalsContact CB-CE 3.41Å; K249-K253 WeakPolarHBondContact O-CB 3.46Å; K249-K253 PolarHBondContact O-N 3.12Å; W250-K253 HydrophobicContact CE3-CD 4.13Å; W250-K253 HydrophobicContact CH2-CD 4.46Å; W250-K253 HydrophobicContact CZ3-CD 3.88Å; W250-K253 PolarHBondContact O-N 2.95Å; K253-E256 PolarHBondContact O-N 2.89Å; K253-E257 WeakPolarHBondContact CE-OE1 3.41Å; K253-E257 WeakPolarHBondContact CG-OE1 3.48Å; K253-E257 WeakPolarHBondContact O-CB 3.14Å; K253-E257 PolarHBondContact O-N 3.08Å; K253-L259 HydrophobicContact CB-CD1 4.07Å; K253-L259 HydrophobicContact CD-CD1 3.74Å; K253-L259 HydrophobicContact CG-CD1 3.69Å
254N94.5Very high90.7Very high10 Ų1058 Ų585%0.05329%0.29CS..Hα-helixtrans-68.7-33.2174-177.463.2000113.1W250 M251 Q252 E256 N258 L259 Y260W250-N254 WeakPolarHBondContact O-CB 3.27Å; W250-N254 PolarHBondContact O-N 2.94Å; M251-N254 WeakPolarHBondContact O-CB 3.35Å; M251-N254 PolarHBondContact O-N 3.45Å; Q252-N254 PolarHBondContact O-N 2.93Å; N254-E256 VanDerWaalsContact C-N 3.29Å; N254-N258 VanDerWaalsContact O-CA 3.26Å; N254-N258 WeakPolarHBondContact O-CA 3.34Å; N254-N258 PolarHBondContact O-N 3.45Å; N254-L259 HydrophobicContact CB-CB 4.45Å; N254-L259 PolarHBondContact OD1-N 3.14Å; N254-Y260 HydrophobicContact CB-CD1 4.43Å; N254-Y260 HydrophobicContact CB-CD2 3.96Å; N254-Y260 HydrophobicContact CB-CE1 4.06Å; N254-Y260 HydrophobicContact CB-CE2 3.55Å; N254-Y260 HydrophobicContact CB-CG 4.37Å; N254-Y260 VanDerWaalsContact CG-CE2 3.43Å; N254-Y260 VanDerWaalsContact ND2-CD2 3.32Å; N254-Y260 WeakPolarHBondContact ND2-CD2 3.45Å; N254-Y260 WeakPolarHBondContact OD1-CD2 3.43Å; N254-Y260 VanDerWaalsContact OD1-CG 3.32Å; N254-Y260 PolarHBondContact OD1-N 2.97Å
255V93.6Very high88.7Confident53 Ų5357.5 Ų57.532%0.32129%0.288SS..Hα-helixtrans-62-41171.5174.10000110.8R123 M251 Q252R123-V255 HydrophobicContact CB-CG2 4.38Å; M251-V255 PolarHBondContact O-N 3.37Å; M251-V255 VanDerWaalsContact O-N 3.13Å; Q252-V255 WeakPolarHBondContact O-CA 3.33Å; Q252-V255 VanDerWaalsContact O-CB 3.32Å; Q252-V255 WeakPolarHBondContact O-CB 3.35Å; Q252-V255 PolarHBondContact O-N 3.03Å
256E94.2Very high86.8Confident150 Ų15051.4 Ų51.470%0.70126%0.263SS*.Hα-helixtrans-76.1-43.6-176.9-66.5168.1-175.500113.1Q252 K253 N254Q252-E256 PolarHBondContact O-N 3.09Å; Q252-E256 VanDerWaalsContact O-N 3.11Å; K253-E256 PolarHBondContact O-N 2.89Å; N254-E256 VanDerWaalsContact C-N 3.29Å
257E94Very high85.4Confident74 Ų7448.1 Ų48.135%0.34625%0.249SC..Hα-helixtrans-113.8-7.9-166.5-63.2-178.1-141.300114.2K211 A213 K253 L259K211-E257 PolarHBondContact NZ-O 3.2Å; A213-E257 WeakPolarHBondContact CB-OE2 3.4Å; K253-E257 WeakPolarHBondContact CE-OE1 3.41Å; K253-E257 WeakPolarHBondContact CG-OE1 3.48Å; K253-E257 WeakPolarHBondContact O-CB 3.14Å; K253-E257 PolarHBondContact O-N 3.08Å; E257-L259 HydrophobicContact CB-CD2 3.5Å; E257-L259 VanDerWaalsContact CB-CD2 3.5Å; E257-L259 HydrophobicContact CB-CG 3.85Å
258N92.3Very high84.5Confident50 Ų5049 Ų4927%0.26726%0.255SS..  trans50.570.8-173.4-17332.6000111.6R123 K211 N254R123-N258 VanDerWaalsContact CZ-CG 3.43Å; R123-N258 PolarHBondContact NH1-OD1 3.38Å; K211-N258 WeakPolarHBondContact CE-O 3.25Å; K211-N258 PolarHBondContact NZ-O 3.28Å; N254-N258 VanDerWaalsContact O-CA 3.26Å; N254-N258 WeakPolarHBondContact O-CA 3.34Å; N254-N258 PolarHBondContact O-N 3.45Å
259L92.8Very high84.1Confident0 Ų047.2 Ų47.20%025%0.247CC..  trans-90.5-21.2-168.7-64.1-174000114.5D208 K211 A213 I214 W250 K253 N254 E257D208-L259 WeakPolarHBondContact CB-O 3.42Å; D208-L259 PolarHBondContact N-O 2.89Å; K211-L259 HydrophobicContact CB-CD2 3.78Å; K211-L259 HydrophobicContact CG-CD2 3.98Å; A213-L259 HydrophobicContact CB-CD1 4.2Å; A213-L259 HydrophobicContact CB-CD2 3.81Å; I214-L259 HydrophobicContact CD1-CB 4.11Å; I214-L259 HydrophobicContact CD1-CD1 4.41Å; I214-L259 HydrophobicContact CG1-CB 4.32Å; I214-L259 HydrophobicContact CG1-CD2 4.34Å; W250-L259 HydrophobicContact CE3-CD1 4.03Å; W250-L259 HydrophobicContact CZ3-CD1 3.8Å; K253-L259 HydrophobicContact CB-CD1 4.07Å; K253-L259 HydrophobicContact CD-CD1 3.74Å; K253-L259 HydrophobicContact CG-CD1 3.69Å; N254-L259 HydrophobicContact CB-CB 4.45Å; N254-L259 PolarHBondContact OD1-N 3.14Å; E257-L259 HydrophobicContact CB-CD2 3.5Å; E257-L259 VanDerWaalsContact CB-CD2 3.5Å; E257-L259 HydrophobicContact CB-CG 3.85Å
260Y91.4Very high83.9Confident18 Ų1841.5 Ų41.57%0.07122%0.224CC..BIsolated β-bridgetrans-92.7142.8-173.3-55-22.2000111.2Y206 L207 W250 N254 S271 P272 I275Y206-Y260 WeakPolarHBondContact O-CA 3.29Å; L207-Y260 HydrophobicContact CD2-CD1 4.02Å; L207-Y260 HydrophobicContact CD2-CE1 4.36Å; W250-Y260 VanDerWaalsContact C-OH 3.27Å; W250-Y260 PolarHBondContact O-OH 3.26Å; N254-Y260 HydrophobicContact CB-CD1 4.43Å; N254-Y260 HydrophobicContact CB-CD2 3.96Å; N254-Y260 HydrophobicContact CB-CE1 4.06Å; N254-Y260 HydrophobicContact CB-CE2 3.55Å; N254-Y260 HydrophobicContact CB-CG 4.37Å; N254-Y260 VanDerWaalsContact CG-CE2 3.43Å; N254-Y260 VanDerWaalsContact ND2-CD2 3.32Å; N254-Y260 WeakPolarHBondContact ND2-CD2 3.45Å; N254-Y260 WeakPolarHBondContact OD1-CD2 3.43Å; N254-Y260 VanDerWaalsContact OD1-CG 3.32Å; N254-Y260 PolarHBondContact OD1-N 2.97Å; Y260-S271 VanDerWaalsContact CG-CB 3.42Å; Y260-P272 WeakPolarHBondContact OH-CB 3.34Å; Y260-I275 HydrophobicContact CE1-CD1 4.11Å
261S83.8Confident83.8Confident26 Ų2639.9 Ų39.918%0.18222%0.218CC..  trans-74.8145.5176.7-1730000110.8Y206 S263 G266Y206-S261 PolarHBondContact O-N 3Å; S261-S263 PolarHBondContact OG-N 3.44Å; S261-S263 VanDerWaalsContact OG-N 3.12Å; S261-S263 PolarHBondContact OG-OG 3.44Å; S261-G266 VanDerWaalsContact O-CA 3.25Å; S261-G266 WeakPolarHBondContact O-CA 3.33Å
262S68.9Low83.8Confident73 Ų7339.6 Ų39.651%0.5122%0.217SC..  trans-93.5-1170.3-71.20000113.3S127S127-S262 WeakPolarHBondContact OG-CB 3.44Å; S127-S262 PolarHBondContact OG-OG 3.12Å
263S63.8Low83.9Confident50 Ų5035.5 Ų35.535%0.3520%0.198SC..SBendtrans-80.9162.2-177.263.40000113S261 G265 G266S261-S263 PolarHBondContact OG-N 3.44Å; S261-S263 VanDerWaalsContact OG-N 3.12Å; S261-S263 PolarHBondContact OG-OG 3.44Å; S263-G265 PolarHBondContact O-N 2.76Å; S263-G266 WeakPolarHBondContact O-CA 3.45Å; S263-G266 PolarHBondContact O-N 3.17Å
264L58.8Low83.9Confident128 Ų12832.9 Ų32.967%0.6719%0.186SC*.THydrogen-bonded Turntrans31-80.4164.9-71.1151.1000116.1R128R128-L264 PolarHBondContact NH1-O 3.4Å; R128-L264 VanDerWaalsContact NH1-O 3.15Å
265G55.7Low84.1Confident5 Ų533.1 Ų33.15%0.05219%0.187CC..THydrogen-bonded Turntrans-87-20.1-179.200000116.5R128 Y206 S263 G267R128-G265 PolarHBondContact NH2-O 2.82Å; Y206-G265 WeakPolarHBondContact CE1-O 3.49Å; S263-G265 PolarHBondContact O-N 2.76Å; G265-G267 PolarHBondContact O-N 3.21Å
266G59Low84.3Confident6 Ų631.4 Ų31.46%0.06218%0.177CC..  trans-2178.3-17200000117.8R128 L131 G205 S261 S263R128-G266 PolarHBondContact NE-O 2.87Å; R128-G266 VanDerWaalsContact NE-O 3.15Å; R128-G266 PolarHBondContact NH2-O 2.97Å; L131-G266 WeakPolarHBondContact CD1-O 3.49Å; G205-G266 PolarHBondContact O-N 3.43Å; G205-G266 VanDerWaalsContact O-N 3.12Å; S261-G266 VanDerWaalsContact O-CA 3.25Å; S261-G266 WeakPolarHBondContact O-CA 3.33Å; S263-G266 WeakPolarHBondContact O-CA 3.45Å; S263-G266 PolarHBondContact O-N 3.17Å
267G69.3Low84.5Confident5 Ų524.4 Ų24.45%0.05214%0.144CC..  trans-100.7115.2-178.500000111.7G265 A269 T270 S271G265-G267 PolarHBondContact O-N 3.21Å; G267-A269 VanDerWaalsContact C-N 3.27Å; G267-A269 PolarHBondContact O-N 2.86Å; G267-T270 PolarHBondContact O-N 2.85Å; G267-T270 VanDerWaalsContact O-N 3.12Å; G267-S271 PolarHBondContact O-N 2.78Å; G267-S271 PolarHBondContact O-OG 2.84Å; G267-S271 VanDerWaalsContact O-OG 3.09Å
268V81.1Confident84.7Confident18 Ų1824.2 Ų24.211%0.10914%0.143CC..THydrogen-bonded Turntrans-57.8-40.9-179.9-1750000111.8L131 L132 F137 P272L131-V268 HydrophobicContact CB-CG2 4.18Å; L132-V268 HydrophobicContact CD2-CB 4.32Å; L132-V268 HydrophobicContact CD2-CG1 4Å; L132-V268 HydrophobicContact CD2-CG2 3.84Å; F137-V268 HydrophobicContact CE1-CG1 4.2Å; F137-V268 HydrophobicContact CZ-CB 4.38Å; F137-V268 HydrophobicContact CZ-CG1 3.75Å; V268-P272 VanDerWaalsContact O-CD 3.29Å; V268-P272 WeakPolarHBondContact O-CD 3.27Å
269A89.4Confident84.9Confident5 Ų524.8 Ų24.84%0.04116%0.161CC..THydrogen-bonded Turntrans-83.4-28.2176.200000113.1F137 F140 G267 P272F137-A269 HydrophobicContact CD1-CB 4.29Å; F137-A269 HydrophobicContact CE1-CB 4.13Å; F140-A269 HydrophobicContact CE1-CB 4.17Å; F140-A269 WeakPolarHBondContact CE1-O 3.4Å; F140-A269 HydrophobicContact CZ-CB 4Å; F140-A269 WeakPolarHBondContact CZ-O 3.13Å; G267-A269 VanDerWaalsContact C-N 3.27Å; G267-A269 PolarHBondContact O-N 2.86Å; A269-P272 WeakPolarHBondContact O-CD 3.23Å; A269-P272 WeakPolarHBondContact O-CG 3.36Å
270T93.5Very high85.1Confident20 Ų2030.1 Ų30.112%0.12318%0.184CC..Hα-helixtrans-72.2-43.1-177.3-51.80000111.9Y206 P228 G267 M273 L274Y206-T270 HydrophobicContact CD1-CG2 3.88Å; Y206-T270 HydrophobicContact CE1-CG2 3.58Å; P228-T270 HydrophobicContact CG-CG2 4.05Å; G267-T270 PolarHBondContact O-N 2.85Å; G267-T270 VanDerWaalsContact O-N 3.12Å; T270-M273 WeakPolarHBondContact O-CB 3.11Å; T270-M273 PolarHBondContact O-N 2.72Å; T270-L274 HydrophobicContact CG2-CD1 3.98Å; T270-L274 HydrophobicContact CG2-CD2 4.44Å; T270-L274 HydrophobicContact CG2-CG 3.94Å; T270-L274 WeakPolarHBondContact O-CG 3.34Å; T270-L274 PolarHBondContact O-N 2.87Å
271S95Very high85.4Confident0 Ų031.2 Ų31.20%019%0.188CC..Hα-helixtrans-53.8-49.2-176.4-59.60000115.3Y206 Y260 G267 M273 L274 I275Y206-S271 PolarHBondContact O-OG 3.21Å; Y260-S271 VanDerWaalsContact CG-CB 3.42Å; G267-S271 PolarHBondContact O-N 2.78Å; G267-S271 PolarHBondContact O-OG 2.84Å; G267-S271 VanDerWaalsContact O-OG 3.09Å; S271-M273 VanDerWaalsContact C-N 3.31Å; S271-M273 PolarHBondContact O-N 3.45Å; S271-L274 PolarHBondContact O-N 2.94Å; S271-I275 WeakPolarHBondContact O-CG1 3.48Å; S271-I275 PolarHBondContact O-N 2.89Å
272P96.6Very high86.1Confident0 Ų030.6 Ų30.60%018%0.184CC..Hα-helixtrans-64.9-33.8176.325.3-34.6000112.6F140 L247 W250 M251 Y260 V268 A269 I275 V276F140-P272 HydrophobicContact CE1-CG 4.46Å; F140-P272 HydrophobicContact CE2-CB 4.44Å; F140-P272 HydrophobicContact CE2-CG 3.69Å; F140-P272 HydrophobicContact CZ-CB 4.42Å; F140-P272 HydrophobicContact CZ-CG 3.41Å; F140-P272 VanDerWaalsContact CZ-CG 3.41Å; L247-P272 HydrophobicContact CD2-CB 4.09Å; W250-P272 HydrophobicContact CB-CB 3.86Å; M251-P272 HydrophobicContact CG-CG 4.47Å; Y260-P272 WeakPolarHBondContact OH-CB 3.34Å; V268-P272 VanDerWaalsContact O-CD 3.29Å; V268-P272 WeakPolarHBondContact O-CD 3.27Å; A269-P272 WeakPolarHBondContact O-CD 3.23Å; A269-P272 WeakPolarHBondContact O-CG 3.36Å; P272-I275 PolarHBondContact O-N 2.96Å; P272-V276 WeakPolarHBondContact O-CB 3.44Å; P272-V276 WeakPolarHBondContact O-CG2 3.39Å; P272-V276 PolarHBondContact O-N 3.5Å
273M97.9Very high87.4Confident0 Ų031.6 Ų31.60%019%0.187CC..Hα-helixtrans-66.1-45.8176.5-66-174.671.200111.2R139 F140 F181 F226 P228 I231 L247 T270 S271 I275 V276 F277R139-M273 HydrophobicContact CG-SD 3.91Å; F140-M273 HydrophobicContact CD1-CG 4.09Å; F140-M273 HydrophobicContact CD1-SD 4.07Å; F140-M273 HydrophobicContact CE1-CG 3.5Å; F140-M273 HydrophobicContact CE1-SD 3.62Å; F140-M273 HydrophobicContact CZ-CG 4.21Å; F181-M273 HydrophobicContact CE1-CE 3.52Å; F181-M273 HydrophobicContact CZ-CE 3.67Å; F226-M273 HydrophobicContact CE2-CB 4.15Å; F226-M273 HydrophobicContact CZ-CB 4.08Å; P228-M273 HydrophobicContact CB-CE 3.73Å; P228-M273 HydrophobicContact CB-SD 3.5Å; P228-M273 VanDerWaalsContact CB-SD 3.5Å; P228-M273 HydrophobicContact CG-SD 4.19Å; I231-M273 HydrophobicContact CD1-CE 3.83Å; L247-M273 HydrophobicContact CD2-CB 4.41Å; L247-M273 HydrophobicContact CD2-CG 3.87Å; T270-M273 WeakPolarHBondContact O-CB 3.11Å; T270-M273 PolarHBondContact O-N 2.72Å; S271-M273 VanDerWaalsContact C-N 3.31Å; S271-M273 PolarHBondContact O-N 3.45Å; M273-I275 PolarHBondContact O-N 3.43Å; M273-V276 PolarHBondContact O-N 3.33Å; M273-F277 HydrophobicContact CB-CD2 4.34Å; M273-F277 HydrophobicContact CE-CE2 4.23Å; M273-F277 WeakPolarHBondContact O-CB 3.37Å; M273-F277 WeakPolarHBondContact O-CD2 3.18Å; M273-F277 PolarHBondContact O-N 3.09Å
274L97.4Very high89Confident0 Ų029.5 Ų29.50%017%0.172CC..Hα-helixtrans-55.5-40175-69.1178.7000111.6Y203 Y206 F226 T270 S271 H278Y203-L274 HydrophobicContact CD1-CB 4.47Å; Y203-L274 HydrophobicContact CE1-CB 3.78Å; Y203-L274 WeakPolarHBondContact CE1-O 3.43Å; Y203-L274 HydrophobicContact CE2-CB 4.39Å; Y203-L274 HydrophobicContact CE2-CD2 4.1Å; Y203-L274 PolarHBondContact OH-O 2.9Å; Y206-L274 HydrophobicContact CD1-CD1 3.98Å; Y206-L274 HydrophobicContact CD2-CD1 3.52Å; Y206-L274 HydrophobicContact CE2-CD1 4.13Å; Y206-L274 HydrophobicContact CG-CD1 3.44Å; Y206-L274 VanDerWaalsContact CG-CD1 3.44Å; F226-L274 HydrophobicContact CD1-CD2 3.72Å; F226-L274 HydrophobicContact CD2-CD2 4.19Å; F226-L274 HydrophobicContact CE1-CD2 3.73Å; F226-L274 HydrophobicContact CE2-CD2 4.18Å; F226-L274 HydrophobicContact CG-CD2 3.95Å; F226-L274 HydrophobicContact CZ-CD2 3.96Å; T270-L274 HydrophobicContact CG2-CD1 3.98Å; T270-L274 HydrophobicContact CG2-CD2 4.44Å; T270-L274 HydrophobicContact CG2-CG 3.94Å; T270-L274 WeakPolarHBondContact O-CG 3.34Å; T270-L274 PolarHBondContact O-N 2.87Å; S271-L274 PolarHBondContact O-N 2.94Å; L274-H278 WeakPolarHBondContact O-CB 3.31Å; L274-H278 PolarHBondContact O-N 2.76Å
275I97.9Very high90.6Very high14 Ų1427.5 Ų27.57%0.07216%0.162CC..Hα-helixtrans-70.6-47.8178.7-63.1161.1000111.5L207 I214 L217 W250 Y260 S271 P272 M273L207-I275 HydrophobicContact CD1-CD1 4.44Å; L207-I275 HydrophobicContact CD1-CG1 4.02Å; L207-I275 HydrophobicContact CD2-CD1 3.7Å; L207-I275 HydrophobicContact CD2-CG1 3.99Å; I214-I275 HydrophobicContact CD1-CD1 4.4Å; L217-I275 HydrophobicContact CD1-CD1 4.3Å; L217-I275 HydrophobicContact CD1-CG1 3.98Å; L217-I275 HydrophobicContact CD1-CG2 3.91Å; L217-I275 HydrophobicContact CD2-CG2 4.01Å; W250-I275 HydrophobicContact CD2-CB 4.45Å; W250-I275 HydrophobicContact CD2-CD1 3.88Å; W250-I275 HydrophobicContact CD2-CG2 3.9Å; W250-I275 HydrophobicContact CE3-CD1 3.68Å; W250-I275 HydrophobicContact CG-CD1 4.37Å; W250-I275 HydrophobicContact CG-CG2 4.34Å; W250-I275 HydrophobicContact CH2-CG2 4.17Å; W250-I275 HydrophobicContact CZ2-CG2 3.53Å; W250-I275 HydrophobicContact CZ3-CD1 4.01Å; Y260-I275 HydrophobicContact CE1-CD1 4.11Å; S271-I275 WeakPolarHBondContact O-CG1 3.48Å; S271-I275 PolarHBondContact O-N 2.89Å; P272-I275 PolarHBondContact O-N 2.96Å; M273-I275 PolarHBondContact O-N 3.43Å
276V98.5Very high92.3Very high17 Ų1730.9 Ų30.910%0.10318%0.183CC..Hα-helixtrans-71.2-36.8-173.9172.20000112.3I243 Q246 L247 P272 M273I243-V276 HydrophobicContact CG2-CG1 3.9Å; Q246-V276 HydrophobicContact CB-CG1 4.02Å; Q246-V276 HydrophobicContact CB-CG2 3.8Å; L247-V276 HydrophobicContact CD2-CB 3.89Å; L247-V276 HydrophobicContact CD2-CG1 4.39Å; L247-V276 HydrophobicContact CD2-CG2 3.77Å; L247-V276 HydrophobicContact CG-CG2 4.25Å; P272-V276 WeakPolarHBondContact O-CB 3.44Å; P272-V276 WeakPolarHBondContact O-CG2 3.39Å; P272-V276 PolarHBondContact O-N 3.5Å; M273-V276 PolarHBondContact O-N 3.33Å
277F98.5Very high93.9Very high3 Ų333.6 Ų33.61%0.01320%0.195CC..Hα-helixtrans-93.70.8-179.1-71.9-81.2000113.9A178 A179 F181 F226 W238 I243 M273 G279 K280 Y281A178-F277 HydrophobicContact CB-CE1 4.28Å; A179-F277 HydrophobicContact CB-CD1 4.34Å; A179-F277 HydrophobicContact CB-CE1 3.68Å; A179-F277 HydrophobicContact CB-CZ 4.08Å; F181-F277 HydrophobicContact CE2-CB 4.04Å; F181-F277 AromaticContact CE2-CD1 3.8Å; F181-F277 HydrophobicContact CE2-CD1 3.8Å; F181-F277 HydrophobicContact CE2-CD2 4.01Å; F181-F277 HydrophobicContact CE2-CE1 4.2Å; F181-F277 HydrophobicContact CE2-CE2 4.41Å; F181-F277 AromaticContact CE2-CG 3.68Å; F181-F277 HydrophobicContact CE2-CG 3.68Å; F181-F277 HydrophobicContact CE2-CZ 4.48Å; F181-F277 HydrophobicContact CZ-CD1 4.29Å; F181-F277 AromaticContact CZ-CD2 3.95Å; F181-F277 HydrophobicContact CZ-CD2 3.95Å; F181-F277 HydrophobicContact CZ-CE1 4.33Å; F181-F277 HydrophobicContact CZ-CE2 4Å; F181-F277 HydrophobicContact CZ-CG 4.1Å; F181-F277 HydrophobicContact CZ-CZ 4.18Å; F226-F277 HydrophobicContact CE1-CB 3.84Å; F226-F277 HydrophobicContact CZ-CB 3.82Å; F226-F277 HydrophobicContact CZ-CD2 4.43Å; F226-F277 HydrophobicContact CZ-CG 4.45Å; W238-F277 HydrophobicContact CD2-CZ 4.41Å; W238-F277 AromaticContact CE3-CZ 3.9Å; W238-F277 HydrophobicContact CE3-CZ 3.9Å; W238-F277 AromaticContact CH2-CE2 3.92Å; W238-F277 HydrophobicContact CH2-CE2 3.92Å; W238-F277 AromaticContact CH2-CZ 3.66Å; W238-F277 HydrophobicContact CH2-CZ 3.66Å; W238-F277 HydrophobicContact CZ2-CE2 4.38Å; W238-F277 HydrophobicContact CZ2-CZ 4.17Å; W238-F277 HydrophobicContact CZ3-CE1 4.43Å; W238-F277 HydrophobicContact CZ3-CE2 4.22Å; W238-F277 AromaticContact CZ3-CZ 3.52Å; W238-F277 HydrophobicContact CZ3-CZ 3.52Å; I243-F277 HydrophobicContact CD1-CE1 3.75Å; I243-F277 HydrophobicContact CD1-CZ 3.83Å; I243-F277 HydrophobicContact CG2-CE2 3.88Å; I243-F277 HydrophobicContact CG2-CZ 3.66Å; M273-F277 HydrophobicContact CB-CD2 4.34Å; M273-F277 HydrophobicContact CE-CE2 4.23Å; M273-F277 WeakPolarHBondContact O-CB 3.37Å; M273-F277 WeakPolarHBondContact O-CD2 3.18Å; M273-F277 PolarHBondContact O-N 3.09Å; F277-G279 PolarHBondContact O-N 3.37Å; F277-K280 PolarHBondContact O-N 3.08Å; F277-Y281 VanDerWaalsContact O-CD1 3.29Å; F277-Y281 WeakPolarHBondContact O-CD1 3.17Å
278H97.6Very high95.3Very high71 Ų7133.6 Ų33.633%0.32919%0.194SC..THydrogen-bonded Turntrans-52.2117.2-179.7177.9-98.2000111.7Y203 I219 L274 K280Y203-H278 AromaticContact CZ-CD2 3.77Å; I219-H278 HydrophobicContact CD1-CB 3.9Å; L274-H278 WeakPolarHBondContact O-CB 3.31Å; L274-H278 PolarHBondContact O-N 2.76Å; H278-K280 PolarHBondContact O-N 3.49Å
279G95.9Very high95.9Very high62 Ų6232.8 Ų32.864%0.63919%0.189SC*.THydrogen-bonded Turntrans67.814.9-178.100000115.5F277F277-G279 PolarHBondContact O-N 3.37Å
280K97Very high96Very high111 Ų11133 Ų3348%0.48319%0.189SC..  trans-137.242.1-173.4-62.1-176.4179.6-177.60113F277 H278F277-K280 PolarHBondContact O-N 3.08Å; H278-K280 PolarHBondContact O-N 3.49Å
281Y98.2Very high95.8Very high42 Ų4232.2 Ų32.217%0.16518%0.184CC..  trans-141.5154176.168.5-77.2000110.3H177 A179 F181 D183 F226 F277H177-Y281 PolarHBondContact CE1-O 3.02Å; H177-Y281 PolarHBondContact ND1-O 3.22Å; H177-Y281 VanDerWaalsContact ND1-O 3.12Å; A179-Y281 WeakPolarHBondContact O-CA 3.22Å; A179-Y281 WeakPolarHBondContact O-CB 3.47Å; F181-Y281 HydrophobicContact CB-CD2 4.03Å; F181-Y281 HydrophobicContact CB-CE2 4.32Å; F181-Y281 AromaticContact CD2-CD2 3.67Å; F181-Y281 HydrophobicContact CD2-CD2 3.67Å; F181-Y281 AromaticContact CD2-CG 3.74Å; F181-Y281 HydrophobicContact CD2-CG 3.74Å; F181-Y281 HydrophobicContact CE2-CG 4.38Å; F181-Y281 HydrophobicContact CG-CD2 4.35Å; D183-Y281 PolarHBondContact OD1-OH 2.99Å; F226-Y281 HydrophobicContact CB-CE2 4.27Å; F226-Y281 HydrophobicContact CD1-CD1 4.24Å; F226-Y281 AromaticContact CD1-CE1 3.85Å; F226-Y281 HydrophobicContact CD1-CE1 3.85Å; F226-Y281 HydrophobicContact CD1-CE2 4.15Å; F226-Y281 AromaticContact CD1-CZ 3.8Å; F226-Y281 HydrophobicContact CE1-CD1 4.31Å; F226-Y281 HydrophobicContact CE1-CE1 4.25Å; F226-Y281 HydrophobicContact CG-CE2 4.49Å; F277-Y281 VanDerWaalsContact O-CD1 3.29Å; F277-Y281 WeakPolarHBondContact O-CD1 3.17Å
282S98.6Very high95.4Very high12 Ų1232.2 Ų32.28%0.08418%0.184CC..EExtended strand (participates in β ladder)trans-91.5163.4172.4-48.10000109.8L173 A174 H177 A179 A180 F181L173-S282 WeakPolarHBondContact CA-OG 3.39Å; A174-S282 PolarHBondContact N-OG 3.46Å; H177-S282 PolarHBondContact ND1-N 3.22Å; H177-S282 PolarHBondContact ND1-OG 2.93Å; A179-S282 PolarHBondContact O-N 3.05Å; A180-S282 CarbonylContact C-O 3.51Å; A180-S282 WeakPolarHBondContact CA-O 3.26Å; A180-S282 VanDerWaalsContact CB-O 3.27Å; A180-S282 WeakPolarHBondContact CB-O 3.24Å; F181-S282 PolarHBondContact N-O 3.24Å
283T96.8Very high95.1Very high95 Ų9532.2 Ų32.258%0.58318%0.184SC*.EExtended strand (participates in β ladder)trans-94.2143.1-177.951.70000111.3F181F181-T283 WeakPolarHBondContact O-CA 3.18Å
284I96.6Very high94.7Very high5 Ų532.2 Ų32.23%0.02618%0.184CC..PPolyproline II helixtrans-90.3142.4166.4-63.4177.2000107.8L168 A180 F181 V230 V232 W288L168-I284 HydrophobicContact CD1-CD1 4.34Å; L168-I284 HydrophobicContact CD1-CG2 3.77Å; A180-I284 HydrophobicContact CB-CD1 4.35Å; A180-I284 HydrophobicContact CB-CG1 3.69Å; F181-I284 PolarHBondContact O-N 3.03Å; V230-I284 HydrophobicContact CB-CD1 4.49Å; V230-I284 HydrophobicContact CG1-CD1 3.86Å; V232-I284 HydrophobicContact CG2-CD1 4.25Å; I284-W288 HydrophobicContact CG2-CB 3.62Å
285N93.1Very high94.2Very high86 Ų8636 Ų3646%0.4620%0.199SC..PPolyproline II helixtrans-57.2129.7174.1178.9-31.8000109.8L287 W288N285-L287 PolarHBondContact O-N 2.84Å; N285-L287 PolarHBondContact OD1-N 3.17Å; N285-W288 WeakPolarHBondContact O-CB 3.48Å; N285-W288 PolarHBondContact O-N 2.77Å
286P90.4Very high93.5Very high77 Ų7738.4 Ų38.450%0.521%0.211SC..G310 helixtrans-54.3-28.8-177.2-29.136000115.6W288 H289 I290P286-W288 PolarHBondContact O-N 3.27Å; P286-H289 CarbonylContact O-C 3.55Å; P286-H289 PolarHBondContact O-N 3.29Å; P286-I290 WeakPolarHBondContact O-CD1 3.44Å
287L93.4Very high92.7Very high62 Ų6239 Ų3933%0.32522%0.216SC..G310 helixtrans-63.8-25.8175.9-64.9179.6000112.8N285 H289 K310 L311N285-L287 PolarHBondContact O-N 2.84Å; N285-L287 PolarHBondContact OD1-N 3.17Å; L287-H289 PolarHBondContact O-N 2.65Å; L287-K310 HydrophobicContact CB-CG 4.25Å; L287-K310 WeakPolarHBondContact O-CA 3.26Å; L287-K310 PolarHBondContact O-N 3.5Å; L287-L311 PolarHBondContact O-N 2.76Å; L287-L311 VanDerWaalsContact O-N 3.16Å
288W96.9Very high91.8Very high6 Ų645 Ų452%0.02325%0.248CC..G310 helixtrans-81.57.1174.8-82.5106.4000113.3V161 D164 I165 E167 L168 I284 N285 P286 K310 L311V161-W288 HydrophobicContact CG1-CH2 4.28Å; V161-W288 HydrophobicContact CG1-CZ3 3.84Å; D164-W288 VanDerWaalsContact C-CH2 3.47Å; D164-W288 WeakPolarHBondContact O-CH2 3.26Å; D164-W288 WeakPolarHBondContact O-CZ2 3.22Å; I165-W288 HydrophobicContact CD1-CH2 4.49Å; I165-W288 HydrophobicContact CD1-CZ3 4.02Å; E167-W288 HydrophobicContact CB-CZ2 3.87Å; E167-W288 HydrophobicContact CG-CZ2 4.47Å; E167-W288 PolarHBondContact OE2-NE1 3.02Å; L168-W288 HydrophobicContact CB-CD2 3.81Å; L168-W288 HydrophobicContact CB-CE3 3.77Å; L168-W288 HydrophobicContact CB-CG 4.48Å; L168-W288 HydrophobicContact CB-CH2 4.09Å; L168-W288 HydrophobicContact CB-CZ2 4.13Å; L168-W288 HydrophobicContact CB-CZ3 3.89Å; L168-W288 HydrophobicContact CD1-CB 4.06Å; L168-W288 HydrophobicContact CD1-CD2 4.15Å; L168-W288 HydrophobicContact CD1-CE3 4.31Å; L168-W288 HydrophobicContact CD1-CG 4.05Å; L168-W288 HydrophobicContact CD2-CE3 3.87Å; L168-W288 HydrophobicContact CD2-CZ3 4.21Å; L168-W288 HydrophobicContact CG-CD2 4.36Å; L168-W288 HydrophobicContact CG-CE3 4.19Å; I284-W288 HydrophobicContact CG2-CB 3.62Å; N285-W288 WeakPolarHBondContact O-CB 3.48Å; N285-W288 PolarHBondContact O-N 2.77Å; P286-W288 PolarHBondContact O-N 3.27Å; W288-K310 HydrophobicContact CD2-CB 3.68Å; W288-K310 HydrophobicContact CD2-CD 4.29Å; W288-K310 HydrophobicContact CE3-CB 3.96Å; W288-K310 HydrophobicContact CG-CB 4.11Å; W288-K310 HydrophobicContact CG-CD 4.47Å; W288-K310 HydrophobicContact CH2-CB 4.24Å; W288-K310 HydrophobicContact CZ2-CB 3.99Å; W288-K310 HydrophobicContact CZ2-CD 3.83Å; W288-K310 HydrophobicContact CZ2-CG 4.47Å; W288-K310 HydrophobicContact CZ3-CB 4.25Å; W288-K310 VanDerWaalsContact NE1-CD 3.35Å; W288-L311 HydrophobicContact CE3-CB 4.12Å; W288-L311 WeakPolarHBondContact O-CB 2.91Å
289H93.8Very high90.7Very high1 Ų142 Ų421%0.00524%0.235CC..  trans-156.367.4175-155.2-178.8000112.5S182 N227 V230 P286 L287 R291 H313S182-H289 VanDerWaalsContact CB-ND1 3.3Å; S182-H289 WeakPolarHBondContact CB-ND1 3.33Å; N227-H289 PolarHBondContact OD1-CE1 3.15Å; N227-H289 VanDerWaalsContact OD1-CE1 3.28Å; V230-H289 VanDerWaalsContact CG2-CD2 3.49Å; V230-H289 WeakPolarHBondContact CG2-CD2 3.12Å; V230-H289 VanDerWaalsContact CG2-NE2 3.34Å; V230-H289 WeakPolarHBondContact CG2-NE2 3.29Å; P286-H289 CarbonylContact O-C 3.55Å; P286-H289 PolarHBondContact O-N 3.29Å; L287-H289 PolarHBondContact O-N 2.65Å; H289-R291 VanDerWaalsContact CD2-CG 3.49Å; H289-R291 WeakPolarHBondContact CD2-CG 3.47Å; H289-R291 WeakPolarHBondContact O-CG 3.46Å; H289-R291 PolarHBondContact O-N 2.78Å; H289-R291 VanDerWaalsContact O-N 3.17Å; H289-R291 PolarHBondContact O-NH1 3.46Å; H289-H313 AromaticContact CD2-ND1 3.62Å; H289-H313 AromaticContact NE2-CE1 3.72Å; H289-H313 AromaticContact NE2-CG 3.96Å; H289-H313 AromaticContact NE2-ND1 2.98Å; H289-H313 PolarHBondContact NE2-ND1 3.23Å
290I92.3Very high89.6Confident9 Ų948.2 Ų48.25%0.04624%0.239CC..BIsolated β-bridgetrans-75.7106.6170.6-55.8-49.3000109.2P286 L293 F305 A309 L311 L312 H313P286-I290 WeakPolarHBondContact O-CD1 3.44Å; I290-L293 HydrophobicContact CG2-CD1 3.86Å; I290-F305 HydrophobicContact CD1-CE1 4.32Å; I290-F305 HydrophobicContact CD1-CE2 4.29Å; I290-F305 HydrophobicContact CD1-CZ 3.69Å; I290-F305 HydrophobicContact CG1-CE1 4.43Å; I290-F305 HydrophobicContact CG1-CZ 4.27Å; I290-F305 HydrophobicContact CG2-CE1 3.55Å; I290-F305 HydrophobicContact CG2-CZ 3.94Å; I290-A309 HydrophobicContact CB-CB 4.28Å; I290-A309 HydrophobicContact CG1-CB 3.41Å; I290-A309 VanDerWaalsContact CG1-CB 3.41Å; I290-L311 WeakPolarHBondContact CB-O 3.19Å; I290-L311 PolarHBondContact N-O 3.36Å; I290-L312 HydrophobicContact CB-CD2 4.09Å; I290-L312 HydrophobicContact CG2-CD2 4.25Å; I290-H313 PolarHBondContact O-N 2.75Å
291R89.3Confident88.8Confident3 Ų343.7 Ų43.71%0.01122%0.219CC..  trans-100.4174.2-172-65.2169.5-48.5-81.8-0.4112.2S182 D183 D184 D186 H289 L293 N315S182-R291 PolarHBondContact OG-NH1 3.09Å; D183-R291 PolarHBondContact O-NH1 3.37Å; D183-R291 PolarHBondContact O-NH2 3Å; D184-R291 VanDerWaalsContact OD1-CD 3.31Å; D184-R291 WeakPolarHBondContact OD1-CD 3.37Å; D184-R291 IonicContact OD1-CZ 2.66Å; D184-R291 IonicContact OD1-NE 2.75Å; D184-R291 PolarHBondContact OD1-NE 3.29Å; D184-R291 IonicContact OD1-NH2 3.99Å; D186-R291 IonicContact OD2-NH2 3.4Å; D186-R291 PolarHBondContact OD2-NH2 3.11Å; H289-R291 VanDerWaalsContact CD2-CG 3.49Å; H289-R291 WeakPolarHBondContact CD2-CG 3.47Å; H289-R291 WeakPolarHBondContact O-CG 3.46Å; H289-R291 PolarHBondContact O-N 2.78Å; H289-R291 VanDerWaalsContact O-N 3.17Å; H289-R291 PolarHBondContact O-NH1 3.46Å; R291-L293 VanDerWaalsContact C-N 3.3Å; R291-L293 PolarHBondContact O-N 2.79Å; R291-N315 WeakPolarHBondContact CA-OD1 3.17Å; R291-N315 WeakPolarHBondContact CB-OD1 3.37Å
292H87.3Confident88.1Confident1 Ų143.1 Ų43.11%0.00522%0.221CC..  trans71.713.2171.2-43.8-63.4000115.8D184 V197 G294 W295 Y301 N315D184-H292 IonicContact OD1-CE1 3.43Å; D184-H292 PolarHBondContact OD1-CE1 3.46Å; D184-H292 IonicContact OD1-NE2 3.62Å; D184-H292 PolarHBondContact OD1-NE2 3.34Å; D184-H292 IonicContact OD2-CE1 3.21Å; V197-H292 HydrophobicContact CG1-CB 4.02Å; H292-G294 PolarHBondContact O-N 3.18Å; H292-W295 HydrophobicContact CB-CB 4.23Å; H292-W295 HydrophobicContact CB-CG 4.19Å; H292-W295 AromaticContact ND1-CD1 3.59Å; H292-W295 AromaticContact ND1-NE1 3.49Å; H292-W295 PolarHBondContact ND1-NE1 3.24Å; H292-W295 PolarHBondContact O-N 3.2Å; H292-W295 VanDerWaalsContact O-N 3.12Å; H292-Y301 PolarHBondContact O-OH 3.01Å; H292-N315 PolarHBondContact N-OD1 3.19Å
293L90.3Very high87.4Confident0 Ų047.1 Ų47.10%024%0.239CC..THydrogen-bonded Turntrans-60.9-26.2171.5-7967.5000111I290 R291 Y301 L312 H313 W314 V326I290-L293 HydrophobicContact CG2-CD1 3.86Å; R291-L293 VanDerWaalsContact C-N 3.3Å; R291-L293 PolarHBondContact O-N 2.79Å; L293-Y301 HydrophobicContact CD1-CE2 4.16Å; L293-Y301 HydrophobicContact CG-CE2 4.07Å; L293-L312 HydrophobicContact CD2-CB 4.04Å; L293-L312 HydrophobicContact CD2-CD2 4.29Å; L293-H313 PolarHBondContact N-O 3.44Å; L293-W314 HydrophobicContact CB-CB 4.45Å; L293-W314 HydrophobicContact CB-CD2 3.87Å; L293-W314 HydrophobicContact CB-CG 3.73Å; L293-W314 HydrophobicContact CD2-CD2 3.96Å; L293-W314 HydrophobicContact CD2-CE3 4.19Å; L293-W314 HydrophobicContact CD2-CH2 3.84Å; L293-W314 HydrophobicContact CD2-CZ2 3.61Å; L293-W314 HydrophobicContact CD2-CZ3 4.12Å; L293-V326 HydrophobicContact CB-CG2 4.42Å; L293-V326 WeakPolarHBondContact O-CG2 3.41Å
294G89.8Confident86.9Confident0 Ų048.2 Ų48.20%024%0.237CC..BIsolated β-bridgetrans-92.35.1177.400000115.9H292 N315 G316 R317 H318H292-G294 PolarHBondContact O-N 3.18Å; G294-N315 CarbonylContact C-O 3.53Å; G294-N315 WeakPolarHBondContact CA-O 3.48Å; G294-N315 PolarHBondContact N-O 2.86Å; G294-G316 CarbonylContact O-C 3.52Å; G294-G316 WeakPolarHBondContact O-CA 3.44Å; G294-R317 PolarHBondContact O-N 2.88Å; G294-H318 WeakPolarHBondContact CA-O 3.06Å; G294-H318 WeakPolarHBondContact O-CB 3.44Å; G294-H318 PolarHBondContact O-N 2.92Å
295W86.1Confident86.5Confident80 Ų8049.8 Ų49.830%0.30324%0.244SC..THydrogen-bonded Turntrans-87.6-43.4-176.1-89.469.6000114L199 H292L199-W295 HydrophobicContact CD1-CB 4.43Å; L199-W295 HydrophobicContact CD1-CD2 3.18Å; L199-W295 VanDerWaalsContact CD1-CE2 3.48Å; L199-W295 HydrophobicContact CD1-CE3 3.14Å; L199-W295 HydrophobicContact CD1-CG 3.77Å; L199-W295 HydrophobicContact CD1-CH2 3.65Å; L199-W295 HydrophobicContact CD1-CZ2 3.72Å; L199-W295 HydrophobicContact CD1-CZ3 3.37Å; L199-W295 HydrophobicContact CD2-CE3 3.89Å; L199-W295 HydrophobicContact CD2-CH2 4.16Å; L199-W295 HydrophobicContact CD2-CZ3 3.54Å; L199-W295 HydrophobicContact CG-CE3 4.13Å; L199-W295 HydrophobicContact CG-CH2 4.42Å; L199-W295 HydrophobicContact CG-CZ3 4.06Å; H292-W295 HydrophobicContact CB-CB 4.23Å; H292-W295 HydrophobicContact CB-CG 4.19Å; H292-W295 AromaticContact ND1-CD1 3.59Å; H292-W295 AromaticContact ND1-NE1 3.49Å; H292-W295 PolarHBondContact ND1-NE1 3.24Å; H292-W295 PolarHBondContact O-N 3.2Å; H292-W295 VanDerWaalsContact O-N 3.12Å
296N82.9Confident86.3Confident63 Ų6345.8 Ų45.834%0.33722%0.223SC..  trans-130.4117.9-177.2-179.8-0.1000108.6D298 A299N296-D298 PolarHBondContact O-N 2.6Å; N296-D298 VanDerWaalsContact O-N 3.16Å; N296-D298 WeakPolarHBondContact OD1-CB 3.29Å; N296-D298 PolarHBondContact OD1-N 2.72Å; N296-A299 HydrophobicContact CB-CB 4.18Å; N296-A299 WeakPolarHBondContact O-CB 3.3Å; N296-A299 PolarHBondContact O-N 2.88Å
297P82.4Confident86.3Confident30 Ų3048.3 Ų48.320%0.19523%0.227CC..THydrogen-bonded Turntrans-70.3-6.7179.832-35.6000113.1P324 V326P297-P324 HydrophobicContact CB-CB 3.78Å; P297-P324 HydrophobicContact CB-CG 3.96Å; P297-P324 HydrophobicContact CG-CB 4.36Å; P297-P324 HydrophobicContact CG-CG 4.09Å; P297-V326 WeakPolarHBondContact O-CG1 3.49Å
298D79.1Confident86.2Confident129 Ų12950.5 Ų50.569%0.6924%0.236SC*.THydrogen-bonded Turntrans-105.24.8174.2-56.4-53.5000112.4N296 R300N296-D298 PolarHBondContact O-N 2.6Å; N296-D298 VanDerWaalsContact O-N 3.16Å; N296-D298 WeakPolarHBondContact OD1-CB 3.29Å; N296-D298 PolarHBondContact OD1-N 2.72Å; D298-R300 PolarHBondContact O-N 2.75Å
299A75.5Confident86.1Confident7 Ų750.4 Ų50.46%0.05824%0.237CC..  trans-59.4134177.100000110.3V197 N296 Y301 V326V197-A299 HydrophobicContact CG2-CB 3.71Å; N296-A299 HydrophobicContact CB-CB 4.18Å; N296-A299 WeakPolarHBondContact O-CB 3.3Å; N296-A299 PolarHBondContact O-N 2.88Å; A299-Y301 HydrophobicContact CB-CD2 4.48Å; A299-Y301 HydrophobicContact CB-CE2 3.77Å; A299-V326 WeakPolarHBondContact O-CG1 3.49Å
300R71.6Confident86.3Confident194 Ų19452.7 Ų52.773%0.73225%0.247SC*.  trans-116124.1173.5-60.5-167.5-176.3-146.60.4109.2L196 D298L196-R300 HydrophobicContact CD1-CB 4.31Å; D298-R300 PolarHBondContact O-N 2.75Å
301Y80.1Confident86.6Confident15 Ų1552.3 Ų52.36%0.05924%0.244CC..BIsolated β-bridgetrans-111.4145.2168.3-59-89.2000107.7R195 H292 L293 A299 F305 L306 H327R195-Y301 HydrophobicContact CG-CE1 4.15Å; H292-Y301 PolarHBondContact O-OH 3.01Å; L293-Y301 HydrophobicContact CD1-CE2 4.16Å; L293-Y301 HydrophobicContact CG-CE2 4.07Å; A299-Y301 HydrophobicContact CB-CD2 4.48Å; A299-Y301 HydrophobicContact CB-CE2 3.77Å; Y301-F305 HydrophobicContact CD1-CD1 4.07Å; Y301-F305 AromaticContact CD1-CE1 3.82Å; Y301-F305 HydrophobicContact CD1-CE1 3.82Å; Y301-F305 HydrophobicContact CE1-CE1 4.45Å; Y301-L306 HydrophobicContact CG-CD2 4.25Å; Y301-H327 AromaticContact CD2-CD2 3.96Å; Y301-H327 AromaticContact CD2-NE2 3.49Å; Y301-H327 WeakPolarHBondContact CD2-NE2 3.44Å
302S83.6Confident86.9Confident30 Ų3052.1 Ų52.121%0.2124%0.244CC..  trans-69.9144.9174.866.80000110.2H304 F305 L306S302-H304 VanDerWaalsContact C-N 3.27Å; S302-H304 PolarHBondContact O-N 3.21Å; S302-F305 WeakPolarHBondContact O-CB 3.48Å; S302-F305 PolarHBondContact O-N 2.93Å; S302-F305 VanDerWaalsContact O-N 3.07Å; S302-F305 VanDerWaalsContact OG-CB 3.25Å; S302-F305 WeakPolarHBondContact OG-CB 3.11Å; S302-F305 PolarHBondContact OG-N 3.4Å; S302-L306 PolarHBondContact O-N 3.05Å; S302-L306 VanDerWaalsContact O-N 3.11Å
303E85.1Confident87.3Confident96 Ų9652.1 Ų52.145%0.44924%0.244SC..Hα-helixtrans-56.1-43.9178.5-176.357.8-151.900111.7F305 L306 Q307E303-F305 VanDerWaalsContact C-N 3.31Å; E303-F305 PolarHBondContact O-N 3.06Å; E303-L306 PolarHBondContact O-N 3.33Å; E303-L306 VanDerWaalsContact O-N 3.16Å; E303-Q307 VanDerWaalsContact O-CG 3.31Å; E303-Q307 WeakPolarHBondContact O-CG 3.42Å; E303-Q307 PolarHBondContact O-N 3.07Å; E303-Q307 PolarHBondContact OE1-NE2 3.36Å
304H86.1Confident87.5Confident119 Ų11952.1 Ų52.155%0.55124%0.244SC*.Hα-helixtrans-56.1-43.5175.5-175.7-78.9000112.6S302 L306 Q307 E308S302-H304 VanDerWaalsContact C-N 3.27Å; S302-H304 PolarHBondContact O-N 3.21Å; H304-L306 VanDerWaalsContact C-N 3.35Å; H304-Q307 PolarHBondContact O-N 3.09Å; H304-E308 IonicContact CE1-OE1 3.02Å; H304-E308 PolarHBondContact CE1-OE1 3.07Å; H304-E308 IonicContact CE1-OE2 2.86Å; H304-E308 PolarHBondContact CE1-OE2 3.37Å; H304-E308 IonicContact ND1-OE2 3Å; H304-E308 PolarHBondContact ND1-OE2 2.86Å; H304-E308 WeakPolarHBondContact O-CG 3.31Å; H304-E308 PolarHBondContact O-N 3.3Å
305F86.5Confident87.5Confident38 Ų3852.8 Ų52.817%0.16725%0.248CC..Hα-helixtrans-65.8-39.9179.3173.5-98.5000111.8I290 Y301 S302 E303 Q307 E308 A309I290-F305 HydrophobicContact CD1-CE1 4.32Å; I290-F305 HydrophobicContact CD1-CE2 4.29Å; I290-F305 HydrophobicContact CD1-CZ 3.69Å; I290-F305 HydrophobicContact CG1-CE1 4.43Å; I290-F305 HydrophobicContact CG1-CZ 4.27Å; I290-F305 HydrophobicContact CG2-CE1 3.55Å; I290-F305 HydrophobicContact CG2-CZ 3.94Å; Y301-F305 HydrophobicContact CD1-CD1 4.07Å; Y301-F305 AromaticContact CD1-CE1 3.82Å; Y301-F305 HydrophobicContact CD1-CE1 3.82Å; Y301-F305 HydrophobicContact CE1-CE1 4.45Å; S302-F305 WeakPolarHBondContact O-CB 3.48Å; S302-F305 PolarHBondContact O-N 2.93Å; S302-F305 VanDerWaalsContact O-N 3.07Å; S302-F305 VanDerWaalsContact OG-CB 3.25Å; S302-F305 WeakPolarHBondContact OG-CB 3.11Å; S302-F305 PolarHBondContact OG-N 3.4Å; E303-F305 VanDerWaalsContact C-N 3.31Å; E303-F305 PolarHBondContact O-N 3.06Å; F305-Q307 VanDerWaalsContact C-N 3.32Å; F305-E308 PolarHBondContact O-N 2.66Å; F305-A309 PolarHBondContact O-N 3.23Å
306L90Very high87.6Confident2 Ų250.7 Ų50.71%0.0125%0.25CS..Hα-helixtrans-67.8-33.3176.6-63.9173.3000111.9Q162 Y301 S302 E303 H304 A309 L312 H327 L330Q162-L306 PolarHBondContact NE2-O 3.05Å; Y301-L306 HydrophobicContact CG-CD2 4.25Å; S302-L306 PolarHBondContact O-N 3.05Å; S302-L306 VanDerWaalsContact O-N 3.11Å; E303-L306 PolarHBondContact O-N 3.33Å; E303-L306 VanDerWaalsContact O-N 3.16Å; H304-L306 VanDerWaalsContact C-N 3.35Å; L306-A309 WeakPolarHBondContact O-CB 3.44Å; L306-A309 PolarHBondContact O-N 2.92Å; L306-L312 HydrophobicContact CD2-CD2 3.86Å; L306-H327 WeakPolarHBondContact CD1-CE1 3.45Å; L306-H327 WeakPolarHBondContact CD1-ND1 3.35Å; L306-L330 HydrophobicContact CB-CD1 4.26Å; L306-L330 HydrophobicContact CD1-CD1 4Å
307Q89.6Confident87.8Confident129 Ų12958.3 Ų58.360%0.60327%0.274SS*.Hα-helixtrans-70.3-33.8175.5-71.9173.8-0.600113E303 H304 F305 A309E303-Q307 VanDerWaalsContact O-CG 3.31Å; E303-Q307 WeakPolarHBondContact O-CG 3.42Å; E303-Q307 PolarHBondContact O-N 3.07Å; E303-Q307 PolarHBondContact OE1-NE2 3.36Å; H304-Q307 PolarHBondContact O-N 3.09Å; F305-Q307 VanDerWaalsContact C-N 3.32Å; Q307-A309 VanDerWaalsContact C-N 3.32Å
308E92.3Very high88.2Confident108 Ų10858.6 Ų58.651%0.50527%0.273SS..Hα-helixtrans-77.4-18.5175.8-71-175.1125.300113.5H304 F305H304-E308 IonicContact CE1-OE1 3.02Å; H304-E308 PolarHBondContact CE1-OE1 3.07Å; H304-E308 IonicContact CE1-OE2 2.86Å; H304-E308 PolarHBondContact CE1-OE2 3.37Å; H304-E308 IonicContact ND1-OE2 3Å; H304-E308 PolarHBondContact ND1-OE2 2.86Å; H304-E308 WeakPolarHBondContact O-CG 3.31Å; H304-E308 PolarHBondContact O-N 3.3Å; F305-E308 PolarHBondContact O-N 2.66Å
309A94.5Very high88.9Confident4 Ų453.7 Ų53.73%0.03325%0.245CC..  trans-64.4135.1177.800000111.4Q162 I290 F305 L306 Q307 L312Q162-A309 PolarHBondContact NE2-O 3.16Å; I290-A309 HydrophobicContact CB-CB 4.28Å; I290-A309 HydrophobicContact CG1-CB 3.41Å; I290-A309 VanDerWaalsContact CG1-CB 3.41Å; F305-A309 PolarHBondContact O-N 3.23Å; L306-A309 WeakPolarHBondContact O-CB 3.44Å; L306-A309 PolarHBondContact O-N 2.92Å; Q307-A309 VanDerWaalsContact C-N 3.32Å; A309-L312 HydrophobicContact CB-CD2 3.54Å; A309-L312 HydrophobicContact CB-CG 4.4Å
310K97.8Very high89.7Confident50 Ų5053.3 Ų53.322%0.21724%0.243CC..SBendtrans-91-25.4174-62-169.8176.8-162.10112.4Q162 G163 E167 L287 W288Q162-K310 PolarHBondContact N-O 3.11Å; G163-K310 PolarHBondContact N-O 2.58Å; E167-K310 IonicContact OE1-NZ 3.83Å; E167-K310 PolarHBondContact OE1-NZ 2.77Å; E167-K310 IonicContact OE2-NZ 3.07Å; E167-K310 PolarHBondContact OE2-NZ 3.47Å; L287-K310 HydrophobicContact CB-CG 4.25Å; L287-K310 WeakPolarHBondContact O-CA 3.26Å; L287-K310 PolarHBondContact O-N 3.5Å; W288-K310 HydrophobicContact CD2-CB 3.68Å; W288-K310 HydrophobicContact CD2-CD 4.29Å; W288-K310 HydrophobicContact CE3-CB 3.96Å; W288-K310 HydrophobicContact CG-CB 4.11Å; W288-K310 HydrophobicContact CG-CD 4.47Å; W288-K310 HydrophobicContact CH2-CB 4.24Å; W288-K310 HydrophobicContact CZ2-CB 3.99Å; W288-K310 HydrophobicContact CZ2-CD 3.83Å; W288-K310 HydrophobicContact CZ2-CG 4.47Å; W288-K310 HydrophobicContact CZ3-CB 4.25Å; W288-K310 VanDerWaalsContact NE1-CD 3.35Å
311L98.2Very high90.8Very high0 Ų044.6 Ų44.60%021%0.21CC..EExtended strand (participates in β ladder)trans-146.2128.9174.5-176.6159.6000110.4L155 V159 I160 V161 V230 L287 W288 I290 H313L155-L311 HydrophobicContact CD2-CD1 3.88Å; V159-L311 HydrophobicContact CB-CD2 4.06Å; V159-L311 HydrophobicContact CB-CG 4.3Å; V159-L311 HydrophobicContact CG1-CD2 4Å; I160-L311 CarbonylContact O-C 3.56Å; I160-L311 WeakPolarHBondContact O-CA 3.26Å; V161-L311 HydrophobicContact CG2-CD1 3.91Å; V161-L311 HydrophobicContact CG2-CG 4.17Å; V230-L311 HydrophobicContact CG1-CD1 4.47Å; V230-L311 HydrophobicContact CG2-CD1 3.74Å; V230-L311 HydrophobicContact CG2-CD2 3.95Å; L287-L311 PolarHBondContact O-N 2.76Å; L287-L311 VanDerWaalsContact O-N 3.16Å; W288-L311 HydrophobicContact CE3-CB 4.12Å; W288-L311 WeakPolarHBondContact O-CB 2.91Å; I290-L311 WeakPolarHBondContact CB-O 3.19Å; I290-L311 PolarHBondContact N-O 3.36Å; L311-H313 HydrophobicContact CD2-CB 4.1Å
312L96.9Very high91.3Very high0 Ų046.9 Ų46.90%022%0.223CC..EExtended strand (participates in β ladder)trans-104134.9175.7-58.2175000109.4V159 I160 I290 L293 L306 A309 W314 L330V159-L312 CarbonylContact C-O 3.47Å; V159-L312 WeakPolarHBondContact CA-O 3.5Å; I160-L312 HydrophobicContact CB-CB 4.45Å; I160-L312 PolarHBondContact N-O 2.52Å; I160-L312 PolarHBondContact O-N 3.43Å; I290-L312 HydrophobicContact CB-CD2 4.09Å; I290-L312 HydrophobicContact CG2-CD2 4.25Å; L293-L312 HydrophobicContact CD2-CB 4.04Å; L293-L312 HydrophobicContact CD2-CD2 4.29Å; L306-L312 HydrophobicContact CD2-CD2 3.86Å; A309-L312 HydrophobicContact CB-CD2 3.54Å; A309-L312 HydrophobicContact CB-CG 4.4Å; L312-W314 HydrophobicContact CB-CE3 4.43Å; L312-W314 HydrophobicContact CB-CH2 4.05Å; L312-W314 HydrophobicContact CB-CZ3 3.64Å; L312-W314 HydrophobicContact CD1-CH2 4.07Å; L312-W314 HydrophobicContact CD1-CZ3 4.44Å; L312-L330 HydrophobicContact CD1-CB 4.39Å; L312-L330 HydrophobicContact CD1-CD1 3.59Å
313H95.8Very high91.5Very high0 Ų051.4 Ų51.40%024%0.239CC..EExtended strand (participates in β ladder)trans-130.7115.7-176.2-172.1-172.7000110.9D156 D158 V159 H289 I290 L293 L311 N315D156-H313 IonicContact OD2-CE1 3.44Å; D156-H313 IonicContact OD2-NE2 3.31Å; D158-H313 PolarHBondContact O-CD2 2.91Å; D158-H313 IonicContact OD1-CD2 2.82Å; D158-H313 PolarHBondContact OD1-CD2 3.12Å; D158-H313 IonicContact OD1-NE2 3.56Å; D158-H313 PolarHBondContact OD1-NE2 3.04Å; D158-H313 VanDerWaalsContact OD1-NE2 3.12Å; V159-H313 HydrophobicContact CG1-CB 4.18Å; H289-H313 AromaticContact CD2-ND1 3.62Å; H289-H313 AromaticContact NE2-CE1 3.72Å; H289-H313 AromaticContact NE2-CG 3.96Å; H289-H313 AromaticContact NE2-ND1 2.98Å; H289-H313 PolarHBondContact NE2-ND1 3.23Å; I290-H313 PolarHBondContact O-N 2.75Å; L293-H313 PolarHBondContact N-O 3.44Å; L311-H313 HydrophobicContact CD2-CB 4.1Å; H313-N315 PolarHBondContact CD2-N 3.22Å; H313-N315 VanDerWaalsContact CD2-N 3.33Å; H313-N315 PolarHBondContact O-N 3.41Å; H313-N315 VanDerWaalsContact O-N 3.08Å; H313-N315 PolarHBondContact O-OD1 3.49Å; H313-N315 VanDerWaalsContact O-OD1 3.09Å
314W94.4Very high91.8Very high0 Ų049.3 Ų49.30%023%0.234CC..  trans-83.743.3172-74.2-105.3000111.3D158 I160 L293 L312 G316 K319 P320 V326 H327 L330 W331D158-W314 HydrophobicContact CB-CB 4.5Å; D158-W314 PolarHBondContact O-N 3.36Å; I160-W314 HydrophobicContact CB-CZ3 4.12Å; I160-W314 HydrophobicContact CG1-CH2 4.3Å; I160-W314 HydrophobicContact CG1-CZ3 3.79Å; L293-W314 HydrophobicContact CB-CB 4.45Å; L293-W314 HydrophobicContact CB-CD2 3.87Å; L293-W314 HydrophobicContact CB-CG 3.73Å; L293-W314 HydrophobicContact CD2-CD2 3.96Å; L293-W314 HydrophobicContact CD2-CE3 4.19Å; L293-W314 HydrophobicContact CD2-CH2 3.84Å; L293-W314 HydrophobicContact CD2-CZ2 3.61Å; L293-W314 HydrophobicContact CD2-CZ3 4.12Å; L312-W314 HydrophobicContact CB-CE3 4.43Å; L312-W314 HydrophobicContact CB-CH2 4.05Å; L312-W314 HydrophobicContact CB-CZ3 3.64Å; L312-W314 HydrophobicContact CD1-CH2 4.07Å; L312-W314 HydrophobicContact CD1-CZ3 4.44Å; W314-G316 PolarHBondContact O-N 3.12Å; W314-K319 PolarHBondContact O-NZ 2.86Å; W314-P320 HydrophobicContact CB-CG 4.35Å; W314-P320 HydrophobicContact CD2-CB 4.26Å; W314-P320 HydrophobicContact CD2-CG 3.81Å; W314-P320 HydrophobicContact CE3-CG 4.28Å; W314-P320 HydrophobicContact CG-CB 4.39Å; W314-P320 HydrophobicContact CG-CG 3.85Å; W314-P320 HydrophobicContact CZ2-CB 4.36Å; W314-V326 PolarHBondContact NE1-O 2.9Å; W314-H327 HydrophobicContact CZ2-CB 3.97Å; W314-H327 WeakPolarHBondContact CZ2-O 3.37Å; W314-L330 HydrophobicContact CH2-CB 4.27Å; W314-W331 HydrophobicContact CE3-CE3 4.15Å; W314-W331 HydrophobicContact CE3-CZ3 4.46Å; W314-W331 HydrophobicContact CZ3-CE3 4.11Å
315N89.1Confident92Very high15 Ų1544.3 Ų44.38%0.0821%0.212CC..  trans-59.7129.4170.656.8-53.2000108.2R291 H292 G294 H313R291-N315 WeakPolarHBondContact CA-OD1 3.17Å; R291-N315 WeakPolarHBondContact CB-OD1 3.37Å; H292-N315 PolarHBondContact N-OD1 3.19Å; G294-N315 CarbonylContact C-O 3.53Å; G294-N315 WeakPolarHBondContact CA-O 3.48Å; G294-N315 PolarHBondContact N-O 2.86Å; H313-N315 PolarHBondContact CD2-N 3.22Å; H313-N315 VanDerWaalsContact CD2-N 3.33Å; H313-N315 PolarHBondContact O-N 3.41Å; H313-N315 VanDerWaalsContact O-N 3.08Å; H313-N315 PolarHBondContact O-OD1 3.49Å; H313-N315 VanDerWaalsContact O-OD1 3.09Å
316G87.8Confident92.1Very high35 Ų3543.1 Ų43.136%0.36121%0.208SC..BIsolated β-bridgetrans130.9-167.2-172.900000112.7G294 W314 K319G294-G316 CarbonylContact O-C 3.52Å; G294-G316 WeakPolarHBondContact O-CA 3.44Å; W314-G316 PolarHBondContact O-N 3.12Å; G316-K319 WeakPolarHBondContact O-CE 3.18Å; G316-K319 PolarHBondContact O-NZ 3.12Å
317R87.6Confident92.1Very high224 Ų22444.8 Ų44.885%0.84522%0.216SC*.SBendtrans-87.2-33-174.3-177.2178.8179-176.4-0.5112.8G294G294-R317 PolarHBondContact O-N 2.88Å
318H91.6Very high92.1Very high36 Ų3640.1 Ų40.117%0.16720%0.195CC..  trans-85.3118.1-176.5-62.9-79.5000108.7G294 P324G294-H318 WeakPolarHBondContact CA-O 3.06Å; G294-H318 WeakPolarHBondContact O-CB 3.44Å; G294-H318 PolarHBondContact O-N 2.92Å; H318-P324 WeakPolarHBondContact CB-O 3.49Å; H318-P324 PolarHBondContact ND1-O 3.24Å
319K93.6Very high92.1Very high25 Ų2539.2 Ų39.211%0.10919%0.194CC..  trans-111.8141.3-175.3-60.9-58.3175.6-166.60110D158 W314 G316 W321 D322 S325D158-K319 HydrophobicContact CB-CD 4.49Å; D158-K319 IonicContact OD2-NZ 3.09Å; D158-K319 PolarHBondContact OD2-NZ 3.11Å; W314-K319 PolarHBondContact O-NZ 2.86Å; G316-K319 WeakPolarHBondContact O-CE 3.18Å; G316-K319 PolarHBondContact O-NZ 3.12Å; K319-W321 HydrophobicContact CB-CD2 3.78Å; K319-W321 VanDerWaalsContact CB-CE2 3.45Å; K319-W321 HydrophobicContact CB-CE3 4.11Å; K319-W321 HydrophobicContact CB-CG 4.35Å; K319-W321 HydrophobicContact CB-CH2 4.05Å; K319-W321 HydrophobicContact CB-CZ2 3.64Å; K319-W321 HydrophobicContact CB-CZ3 4.22Å; K319-W321 HydrophobicContact CD-CH2 3.8Å; K319-W321 HydrophobicContact CD-CZ2 3.82Å; K319-W321 HydrophobicContact CD-CZ3 4.41Å; K319-W321 HydrophobicContact CG-CH2 4.07Å; K319-W321 HydrophobicContact CG-CZ2 3.59Å; K319-W321 PolarHBondContact O-N 2.92Å; K319-W321 VanDerWaalsContact O-N 3.09Å; K319-D322 CarbonylContact O-C 3.57Å; K319-D322 PolarHBondContact O-N 3.42Å; K319-S325 WeakPolarHBondContact O-CB 3.43Å; K319-S325 PolarHBondContact O-OG 3.16Å
320P92.8Very high92Very high0 Ų040.2 Ų40.20%020%0.198CC..THydrogen-bonded Turntrans-68.3-12.7-173.226-33.1000114.4W314 S325 W331W314-P320 HydrophobicContact CB-CG 4.35Å; W314-P320 HydrophobicContact CD2-CB 4.26Å; W314-P320 HydrophobicContact CD2-CG 3.81Å; W314-P320 HydrophobicContact CE3-CG 4.28Å; W314-P320 HydrophobicContact CG-CB 4.39Å; W314-P320 HydrophobicContact CG-CG 3.85Å; W314-P320 HydrophobicContact CZ2-CB 4.36Å; P320-S325 VanDerWaalsContact CA-OG 3.31Å; P320-S325 WeakPolarHBondContact CA-OG 3.3Å; P320-W331 HydrophobicContact CB-CB 3.56Å; P320-W331 HydrophobicContact CB-CD2 3.85Å; P320-W331 HydrophobicContact CB-CE3 4.15Å; P320-W331 HydrophobicContact CB-CG 3.58Å; P320-W331 HydrophobicContact CG-CB 4.01Å; P320-W331 HydrophobicContact CG-CD2 3.28Å; P320-W331 HydrophobicContact CG-CE3 3.26Å; P320-W331 HydrophobicContact CG-CG 3.61Å; P320-W331 HydrophobicContact CG-CH2 4.37Å; P320-W331 HydrophobicContact CG-CZ2 4.3Å; P320-W331 HydrophobicContact CG-CZ3 3.87Å
321W92.9Very high91.9Very high11 Ų1137.8 Ų37.84%0.04219%0.188CC..THydrogen-bonded Turntrans-93.50.217257.682.5000114.1R61 A64 D158 K319 W331 F343 L345 N346R61-W321 HydrophobicContact CG-CZ2 4.44Å; A64-W321 HydrophobicContact CB-CD2 4.47Å; A64-W321 HydrophobicContact CB-CE3 3.94Å; A64-W321 HydrophobicContact CB-CH2 3.38Å; A64-W321 HydrophobicContact CB-CZ2 4.02Å; A64-W321 HydrophobicContact CB-CZ3 3.38Å; D158-W321 HydrophobicContact CB-CH2 3.89Å; D158-W321 HydrophobicContact CB-CZ3 4.14Å; K319-W321 HydrophobicContact CB-CD2 3.78Å; K319-W321 VanDerWaalsContact CB-CE2 3.45Å; K319-W321 HydrophobicContact CB-CE3 4.11Å; K319-W321 HydrophobicContact CB-CG 4.35Å; K319-W321 HydrophobicContact CB-CH2 4.05Å; K319-W321 HydrophobicContact CB-CZ2 3.64Å; K319-W321 HydrophobicContact CB-CZ3 4.22Å; K319-W321 HydrophobicContact CD-CH2 3.8Å; K319-W321 HydrophobicContact CD-CZ2 3.82Å; K319-W321 HydrophobicContact CD-CZ3 4.41Å; K319-W321 HydrophobicContact CG-CH2 4.07Å; K319-W321 HydrophobicContact CG-CZ2 3.59Å; K319-W321 PolarHBondContact O-N 2.92Å; K319-W321 VanDerWaalsContact O-N 3.09Å; W321-W331 HydrophobicContact CD2-CZ2 4.36Å; W321-W331 HydrophobicContact CE3-CD2 4.42Å; W321-W331 AromaticContact CE3-CE2 3.61Å; W321-W331 AromaticContact CE3-CH2 3.76Å; W321-W331 HydrophobicContact CE3-CH2 3.76Å; W321-W331 AromaticContact CE3-CZ2 3.17Å; W321-W331 HydrophobicContact CE3-CZ2 3.17Å; W321-W331 HydrophobicContact CH2-CH2 4.42Å; W321-W331 HydrophobicContact CH2-CZ2 4.49Å; W321-W331 AromaticContact CZ3-CH2 3.33Å; W321-W331 HydrophobicContact CZ3-CH2 3.33Å; W321-W331 AromaticContact CZ3-CZ2 3.28Å; W321-W331 HydrophobicContact CZ3-CZ2 3.28Å; W321-W331 HydrophobicContact CZ3-CZ3 4.07Å; W321-F343 HydrophobicContact CB-CE1 4.03Å; W321-F343 HydrophobicContact CB-CZ 3.79Å; W321-F343 AromaticContact CD1-CZ 3.72Å; W321-F343 AromaticContact CD2-CZ 3.93Å; W321-F343 HydrophobicContact CD2-CZ 3.93Å; W321-F343 HydrophobicContact CG-CE1 4.25Å; W321-F343 HydrophobicContact CG-CE2 4.34Å; W321-F343 AromaticContact CG-CZ 3.51Å; W321-F343 HydrophobicContact CG-CZ 3.51Å; W321-L345 HydrophobicContact CB-CD2 3.58Å; W321-N346 PolarHBondContact O-N 3.45Å
322D91.7Very high91.7Very high62 Ų6241.9 Ų41.933%0.33221%0.207SC..SBendtrans-130.2161.2179-75.6-43.1000111.1K319 S325 N346K319-D322 CarbonylContact O-C 3.57Å; K319-D322 PolarHBondContact O-N 3.42Å; D322-S325 WeakPolarHBondContact O-CB 3.25Å; D322-N346 PolarHBondContact OD1-ND2 3.17Å
323F87.5Confident91.7Very high126 Ų12645.9 Ų45.955%0.55323%0.234SC*.SBendtrans-104.9141.4174.7-176.7-87.6000111.9H348F323-H348 AromaticContact CD1-CD2 3.12Å; F323-H348 WeakPolarHBondContact CD1-CD2 3.36Å; F323-H348 AromaticContact CD1-NE2 2.99Å; F323-H348 WeakPolarHBondContact CD1-NE2 3.45Å; F323-H348 AromaticContact CD2-CD2 3.47Å; F323-H348 VanDerWaalsContact CD2-CD2 3.47Å; F323-H348 WeakPolarHBondContact CD2-CD2 3.28Å; F323-H348 AromaticContact CE1-CD2 3.32Å; F323-H348 WeakPolarHBondContact CE1-CD2 3.31Å; F323-H348 AromaticContact CE1-NE2 3.31Å; F323-H348 VanDerWaalsContact CE1-NE2 3.31Å; F323-H348 WeakPolarHBondContact CE1-NE2 3.32Å; F323-H348 AromaticContact CE2-CD2 3.68Å; F323-H348 AromaticContact CG-CD2 3.18Å; F323-H348 WeakPolarHBondContact CG-CD2 3.1Å; F323-H348 AromaticContact CG-NE2 3.51Å; F323-H348 AromaticContact CZ-CD2 3.59Å
324P91Very high91.8Very high51 Ų5148.1 Ų48.133%0.33124%0.243SC..SBendcis-85.1148.1-4.733.8-34.1000112.5P297 H318P297-P324 HydrophobicContact CB-CB 3.78Å; P297-P324 HydrophobicContact CB-CG 3.96Å; P297-P324 HydrophobicContact CG-CB 4.36Å; P297-P324 HydrophobicContact CG-CG 4.09Å; H318-P324 WeakPolarHBondContact CB-O 3.49Å; H318-P324 PolarHBondContact ND1-O 3.24Å
325S90.1Very high91.9Very high15 Ų1550 Ų5011%0.10525%0.251CS..  trans-156.3160.9178.1178.70000111.3K319 P320 D322 N328K319-S325 WeakPolarHBondContact O-CB 3.43Å; K319-S325 PolarHBondContact O-OG 3.16Å; P320-S325 VanDerWaalsContact CA-OG 3.31Å; P320-S325 WeakPolarHBondContact CA-OG 3.3Å; D322-S325 WeakPolarHBondContact O-CB 3.25Å; S325-N328 WeakPolarHBondContact CB-OD1 3.42Å; S325-N328 PolarHBondContact OG-OD1 2.99Å
326V88.8Confident92.3Very high12 Ų1249.3 Ų49.37%0.07325%0.247CC..SBendtrans-105.1153.2177.8-62.80000111.6L293 P297 A299 W314 N328L293-V326 HydrophobicContact CB-CG2 4.42Å; L293-V326 WeakPolarHBondContact O-CG2 3.41Å; P297-V326 WeakPolarHBondContact O-CG1 3.49Å; A299-V326 WeakPolarHBondContact O-CG1 3.49Å; W314-V326 PolarHBondContact NE1-O 2.9Å; V326-N328 PolarHBondContact O-N 3.33Å; V326-N328 PolarHBondContact O-OD1 2.97Å
327H89.4Confident92.7Very high38 Ų3851.8 Ų51.818%0.17626%0.258CS..  trans54.838.4172.9-54.8-63.9000113.5Y301 L306 W314 D329 L330Y301-H327 AromaticContact CD2-CD2 3.96Å; Y301-H327 AromaticContact CD2-NE2 3.49Å; Y301-H327 WeakPolarHBondContact CD2-NE2 3.44Å; L306-H327 WeakPolarHBondContact CD1-CE1 3.45Å; L306-H327 WeakPolarHBondContact CD1-ND1 3.35Å; W314-H327 HydrophobicContact CZ2-CB 3.97Å; W314-H327 WeakPolarHBondContact CZ2-O 3.37Å; H327-D329 VanDerWaalsContact CA-OD1 3.3Å; H327-D329 WeakPolarHBondContact CA-OD1 3.29Å; H327-D329 PolarHBondContact O-N 3.12Å; H327-L330 HydrophobicContact CB-CD1 4.01Å; H327-L330 HydrophobicContact CB-CG 4.3Å; H327-L330 WeakPolarHBondContact O-CB 2.99Å; H327-L330 PolarHBondContact O-N 3.45Å
328N90.4Very high93.1Very high31 Ų3141.9 Ų41.917%0.16622%0.221CC..Hα-helixtrans-63.3-29.6-177.7-56.7-25.8000111.6S325 V326 L330 W331 E332S325-N328 WeakPolarHBondContact CB-OD1 3.42Å; S325-N328 PolarHBondContact OG-OD1 2.99Å; V326-N328 PolarHBondContact O-N 3.33Å; V326-N328 PolarHBondContact O-OD1 2.97Å; N328-L330 VanDerWaalsContact C-N 3.32Å; N328-L330 PolarHBondContact O-N 2.92Å; N328-W331 CarbonylContact O-C 3.35Å; N328-W331 WeakPolarHBondContact O-CA 3.22Å; N328-W331 WeakPolarHBondContact O-CB 3.46Å; N328-W331 PolarHBondContact O-N 3.4Å; N328-E332 WeakPolarHBondContact O-CB 3.26Å; N328-E332 VanDerWaalsContact O-CG 3.29Å; N328-E332 WeakPolarHBondContact O-CG 3.43Å; N328-E332 PolarHBondContact O-N 2.79Å
329D91.4Very high93.2Very high89 Ų8943.6 Ų43.648%0.47624%0.236SC..Hα-helixtrans-58.2-40.5174.657.5-54.6000112.8H327 W331 E332 S333H327-D329 VanDerWaalsContact CA-OD1 3.3Å; H327-D329 WeakPolarHBondContact CA-OD1 3.29Å; H327-D329 PolarHBondContact O-N 3.12Å; D329-W331 PolarHBondContact O-N 3.25Å; D329-E332 PolarHBondContact O-N 3.42Å; D329-S333 PolarHBondContact O-N 3.3Å; D329-S333 PolarHBondContact O-OG 3.26Å
330L93.5Very high93.1Very high24 Ų2445.6 Ų45.613%0.12626%0.256CS..Hα-helixtrans-64.4-32174.9-63.5-177.1000111.7L306 L312 W314 H327 N328L306-L330 HydrophobicContact CB-CD1 4.26Å; L306-L330 HydrophobicContact CD1-CD1 4Å; L312-L330 HydrophobicContact CD1-CB 4.39Å; L312-L330 HydrophobicContact CD1-CD1 3.59Å; W314-L330 HydrophobicContact CH2-CB 4.27Å; H327-L330 HydrophobicContact CB-CD1 4.01Å; H327-L330 HydrophobicContact CB-CG 4.3Å; H327-L330 WeakPolarHBondContact O-CB 2.99Å; H327-L330 PolarHBondContact O-N 3.45Å; N328-L330 VanDerWaalsContact C-N 3.32Å; N328-L330 PolarHBondContact O-N 2.92Å
331W95.1Very high93Very high0 Ų047.3 Ų47.30%028%0.275CS..Hα-helixtrans-80.9-44.7177-178.7-87.6000113A64 A67 I160 W314 P320 W321 N328 D329 S333 W334 F335A64-W331 VanDerWaalsContact CA-CZ2 3.49Å; A64-W331 HydrophobicContact CB-CH2 3.73Å; A64-W331 HydrophobicContact CB-CZ2 3.66Å; A67-W331 HydrophobicContact CB-CD2 4.48Å; A67-W331 HydrophobicContact CB-CH2 4.15Å; A67-W331 HydrophobicContact CB-CZ2 3.72Å; I160-W331 HydrophobicContact CD1-CD2 4.16Å; I160-W331 HydrophobicContact CD1-CE3 3.61Å; I160-W331 HydrophobicContact CD1-CZ3 3.89Å; I160-W331 HydrophobicContact CG1-CD2 4.36Å; I160-W331 HydrophobicContact CG1-CE3 3.52Å; I160-W331 HydrophobicContact CG1-CZ3 3.97Å; W314-W331 HydrophobicContact CE3-CE3 4.15Å; W314-W331 HydrophobicContact CE3-CZ3 4.46Å; W314-W331 HydrophobicContact CZ3-CE3 4.11Å; P320-W331 HydrophobicContact CB-CB 3.56Å; P320-W331 HydrophobicContact CB-CD2 3.85Å; P320-W331 HydrophobicContact CB-CE3 4.15Å; P320-W331 HydrophobicContact CB-CG 3.58Å; P320-W331 HydrophobicContact CG-CB 4.01Å; P320-W331 HydrophobicContact CG-CD2 3.28Å; P320-W331 HydrophobicContact CG-CE3 3.26Å; P320-W331 HydrophobicContact CG-CG 3.61Å; P320-W331 HydrophobicContact CG-CH2 4.37Å; P320-W331 HydrophobicContact CG-CZ2 4.3Å; P320-W331 HydrophobicContact CG-CZ3 3.87Å; W321-W331 HydrophobicContact CD2-CZ2 4.36Å; W321-W331 HydrophobicContact CE3-CD2 4.42Å; W321-W331 AromaticContact CE3-CE2 3.61Å; W321-W331 AromaticContact CE3-CH2 3.76Å; W321-W331 HydrophobicContact CE3-CH2 3.76Å; W321-W331 AromaticContact CE3-CZ2 3.17Å; W321-W331 HydrophobicContact CE3-CZ2 3.17Å; W321-W331 HydrophobicContact CH2-CH2 4.42Å; W321-W331 HydrophobicContact CH2-CZ2 4.49Å; W321-W331 AromaticContact CZ3-CH2 3.33Å; W321-W331 HydrophobicContact CZ3-CH2 3.33Å; W321-W331 AromaticContact CZ3-CZ2 3.28Å; W321-W331 HydrophobicContact CZ3-CZ2 3.28Å; W321-W331 HydrophobicContact CZ3-CZ3 4.07Å; N328-W331 CarbonylContact O-C 3.35Å; N328-W331 WeakPolarHBondContact O-CA 3.22Å; N328-W331 WeakPolarHBondContact O-CB 3.46Å; N328-W331 PolarHBondContact O-N 3.4Å; D329-W331 PolarHBondContact O-N 3.25Å; W331-S333 PolarHBondContact O-N 3.1Å; W331-W334 PolarHBondContact O-N 3.44Å; W331-F335 PolarHBondContact O-N 3.49Å
332E94.9Very high92.9Very high85 Ų8552.3 Ų52.340%0.39730%0.301SS..Hα-helixtrans-54.9-37.2-179.6-80170.9-137.700111.7N328 D329 W334 F335 L345 H347N328-E332 WeakPolarHBondContact O-CB 3.26Å; N328-E332 VanDerWaalsContact O-CG 3.29Å; N328-E332 WeakPolarHBondContact O-CG 3.43Å; N328-E332 PolarHBondContact O-N 2.79Å; D329-E332 PolarHBondContact O-N 3.42Å; E332-W334 PolarHBondContact O-N 3.06Å; E332-W334 VanDerWaalsContact O-N 3.12Å; E332-F335 WeakPolarHBondContact O-CB 3.17Å; E332-F335 PolarHBondContact O-N 3.19Å; E332-F335 VanDerWaalsContact O-N 3.1Å; E332-L345 HydrophobicContact CG-CD1 3.77Å; E332-H347 IonicContact OE1-CD2 3.75Å; E332-H347 IonicContact OE1-CE1 3.33Å; E332-H347 PolarHBondContact OE1-CE1 2.95Å; E332-H347 IonicContact OE1-ND1 2.96Å; E332-H347 IonicContact OE1-NE2 2.61Å; E332-H347 PolarHBondContact OE1-NE2 3.4Å; E332-H347 VanDerWaalsContact OE1-NE2 3.09Å
333S95.6Very high93Very high84 Ų8450.2 Ų50.259%0.58729%0.289SS*.THydrogen-bonded Turntrans-55.4-28.9175.1-61.70000113.3D329 W331D329-S333 PolarHBondContact O-N 3.3Å; D329-S333 PolarHBondContact O-OG 3.26Å; W331-S333 PolarHBondContact O-N 3.1Å
334W97.6Very high93.1Very high47 Ų4750.8 Ų50.818%0.17829%0.291CS..THydrogen-bonded Turntrans-104.5-4.7-178.6-57.1108000113.8A67 N70 S74 N75 I160 W331 E332 V336A67-W334 WeakPolarHBondContact CA-O 3.31Å; A67-W334 HydrophobicContact CB-CB 4.46Å; N70-W334 PolarHBondContact ND2-O 3.3Å; S74-W334 VanDerWaalsContact CB-CZ3 3.46Å; N75-W334 WeakPolarHBondContact ND2-CH2 3.2Å; N75-W334 WeakPolarHBondContact ND2-CZ2 3.35Å; I160-W334 HydrophobicContact CD1-CB 3.78Å; I160-W334 HydrophobicContact CD1-CG 3.94Å; I160-W334 HydrophobicContact CG2-CG 4.27Å; W331-W334 PolarHBondContact O-N 3.44Å; E332-W334 PolarHBondContact O-N 3.06Å; E332-W334 VanDerWaalsContact O-N 3.12Å; W334-V336 PolarHBondContact O-N 3.16Å
335F97.4Very high93.2Very high40 Ų4050.2 Ų50.218%0.17529%0.285CS..  trans-59137.2-177.1179.6-121000112.2W331 E332 P337 F343 L345W331-F335 PolarHBondContact O-N 3.49Å; E332-F335 WeakPolarHBondContact O-CB 3.17Å; E332-F335 PolarHBondContact O-N 3.19Å; E332-F335 VanDerWaalsContact O-N 3.1Å; F335-P337 HydrophobicContact CE1-CB 4.44Å; F335-P337 HydrophobicContact CE1-CG 4.31Å; F335-F343 AromaticContact CE2-CD1 3.81Å; F335-F343 HydrophobicContact CE2-CD1 3.81Å; F335-F343 AromaticContact CE2-CE1 3.92Å; F335-F343 HydrophobicContact CE2-CE1 3.92Å; F335-F343 HydrophobicContact CZ-CD1 4.35Å; F335-L345 HydrophobicContact CB-CD1 4.09Å; F335-L345 HydrophobicContact CD1-CD1 3.71Å; F335-L345 HydrophobicContact CD1-CG 3.99Å; F335-L345 HydrophobicContact CD2-CD1 4.3Å; F335-L345 HydrophobicContact CD2-CD2 3.77Å; F335-L345 HydrophobicContact CD2-CG 4.11Å; F335-L345 HydrophobicContact CE1-CD1 4.2Å; F335-L345 HydrophobicContact CE1-CG 4.02Å; F335-L345 HydrophobicContact CE2-CD2 3.94Å; F335-L345 HydrophobicContact CE2-CG 4.16Å; F335-L345 HydrophobicContact CG-CD1 3.77Å; F335-L345 HydrophobicContact CG-CD2 4.09Å; F335-L345 HydrophobicContact CG-CG 4.04Å; F335-L345 HydrophobicContact CZ-CD2 4.38Å; F335-L345 HydrophobicContact CZ-CG 4.11Å
336V97.8Very high92.8Very high0 Ų053.8 Ų53.80%030%0.303CS..  trans-114.5110.9175-174.20000107.8M66 N70 W97 K102 L103 W334 D338M66-V336 HydrophobicContact CB-CB 3.84Å; M66-V336 HydrophobicContact CB-CG1 4.49Å; M66-V336 HydrophobicContact CB-CG2 4.06Å; N70-V336 HydrophobicContact CB-CG2 3.68Å; W97-V336 WeakPolarHBondContact CZ2-O 3.38Å; W97-V336 PolarHBondContact NE1-O 2.69Å; K102-V336 HydrophobicContact CG-CG1 4.39Å; L103-V336 HydrophobicContact CD1-CG1 4.43Å; L103-V336 HydrophobicContact CD1-CG2 4.1Å; L103-V336 HydrophobicContact CG-CG1 4.43Å; L103-V336 HydrophobicContact CG-CG2 4.24Å; W334-V336 PolarHBondContact O-N 3.16Å; V336-D338 PolarHBondContact O-N 2.93Å
337P96.4Very high91.9Very high88 Ų8856.6 Ų56.657%0.57132%0.315SS*.  trans-53.2136.7-178.8-28.435.5000112.6W97 F335 P339W97-P337 PolarHBondContact NE1-O 2.88Å; W97-P337 VanDerWaalsContact NE1-O 3.09Å; F335-P337 HydrophobicContact CE1-CB 4.44Å; F335-P337 HydrophobicContact CE1-CG 4.31Å; P337-P339 VanDerWaalsContact O-CD 3.28Å; P337-P339 WeakPolarHBondContact O-CD 3.38Å
338D95.3Very high90.5Very high16 Ų1661.2 Ų61.29%0.08634%0.337CS..  trans-71.4117.2174.6-172.9-14.7000109.9R93 W97 V336 A340 G341 I342 F343R93-D338 IonicContact CZ-OD2 3.77Å; R93-D338 IonicContact NE-OD2 3.67Å; R93-D338 IonicContact NH2-OD2 3.05Å; R93-D338 PolarHBondContact NH2-OD2 3.24Å; W97-D338 HydrophobicContact CD2-CB 4.42Å; W97-D338 VanDerWaalsContact CE2-CA 3.46Å; W97-D338 HydrophobicContact CE3-CB 4.41Å; W97-D338 HydrophobicContact CH2-CB 3.52Å; W97-D338 VanDerWaalsContact CZ2-CA 3.43Å; W97-D338 HydrophobicContact CZ2-CB 3.43Å; W97-D338 VanDerWaalsContact CZ2-CB 3.43Å; W97-D338 HydrophobicContact CZ3-CB 3.99Å; W97-D338 VanDerWaalsContact CZ3-CG 3.49Å; W97-D338 WeakPolarHBondContact CZ3-OD2 3.36Å; V336-D338 PolarHBondContact O-N 2.93Å; D338-A340 PolarHBondContact O-N 3.09Å; D338-A340 VanDerWaalsContact O-N 3.12Å; D338-A340 WeakPolarHBondContact OD1-CB 3.01Å; D338-A340 PolarHBondContact OD1-N 3.09Å; D338-G341 WeakPolarHBondContact O-CA 2.99Å; D338-G341 PolarHBondContact O-N 3.4Å; D338-I342 WeakPolarHBondContact OD2-CB 3.47Å; D338-I342 PolarHBondContact OD2-N 3Å; D338-I342 VanDerWaalsContact OD2-N 3.17Å; D338-F343 HydrophobicContact CB-CB 4.17Å; D338-F343 PolarHBondContact OD2-N 2.9Å
339P93.1Very high88Confident72 Ų7268.8 Ų68.847%0.46839%0.392SS..THydrogen-bonded Turntrans-60.1-24.1177.5-24.836.1000113.4W97 H100 P337W97-P339 VanDerWaalsContact CD1-CD 3.47Å; W97-P339 HydrophobicContact CG-CG 4.47Å; H100-P339 HydrophobicContact CB-CB 4.39Å; H100-P339 HydrophobicContact CB-CG 4.17Å; P337-P339 VanDerWaalsContact O-CD 3.28Å; P337-P339 WeakPolarHBondContact O-CD 3.38Å
340A91.9Very high87.9Confident66 Ų6667.8 Ų67.855%0.54539%0.387SS..THydrogen-bonded Turntrans-88.6-7.3174.800000113.3D338 I342D338-A340 PolarHBondContact O-N 3.09Å; D338-A340 VanDerWaalsContact O-N 3.12Å; D338-A340 WeakPolarHBondContact OD1-CB 3.01Å; D338-A340 PolarHBondContact OD1-N 3.09Å; A340-I342 HydrophobicContact CB-CD1 3.89Å; A340-I342 HydrophobicContact CB-CG1 4.03Å; A340-I342 PolarHBondContact O-N 3Å
341G91.3Very high87.6Confident37 Ų3770.1 Ų70.138%0.38140%0.401SS..SBendtrans64.319.6-179.200000114.9D338 K344D338-G341 WeakPolarHBondContact O-CA 2.99Å; D338-G341 PolarHBondContact O-N 3.4Å; G341-K344 WeakPolarHBondContact O-CE 3.12Å
342I90.6Very high87.1Confident116 Ų11673.9 Ų73.960%0.59542%0.424SS*.  trans-82.9-46.4-177.7-63.2167.4000110.4D338 A340D338-I342 WeakPolarHBondContact OD2-CB 3.47Å; D338-I342 PolarHBondContact OD2-N 3Å; D338-I342 VanDerWaalsContact OD2-N 3.17Å; A340-I342 HydrophobicContact CB-CD1 3.89Å; A340-I342 HydrophobicContact CB-CG1 4.03Å; A340-I342 PolarHBondContact O-N 3Å
343F93.1Very high86.7Confident18 Ų1873.3 Ų73.38%0.07943%0.425CS..SBendtrans-89127.7173.9-168.6-81.9000109.8W97 W321 F335 D338 L345W97-F343 HydrophobicContact CH2-CB 3.53Å; W97-F343 HydrophobicContact CH2-CD1 4.44Å; W97-F343 HydrophobicContact CH2-CG 4.05Å; W97-F343 HydrophobicContact CZ2-CB 4.45Å; W97-F343 HydrophobicContact CZ3-CB 4.21Å; W321-F343 HydrophobicContact CB-CE1 4.03Å; W321-F343 HydrophobicContact CB-CZ 3.79Å; W321-F343 AromaticContact CD1-CZ 3.72Å; W321-F343 AromaticContact CD2-CZ 3.93Å; W321-F343 HydrophobicContact CD2-CZ 3.93Å; W321-F343 HydrophobicContact CG-CE1 4.25Å; W321-F343 HydrophobicContact CG-CE2 4.34Å; W321-F343 AromaticContact CG-CZ 3.51Å; W321-F343 HydrophobicContact CG-CZ 3.51Å; F335-F343 AromaticContact CE2-CD1 3.81Å; F335-F343 HydrophobicContact CE2-CD1 3.81Å; F335-F343 AromaticContact CE2-CE1 3.92Å; F335-F343 HydrophobicContact CE2-CE1 3.92Å; F335-F343 HydrophobicContact CZ-CD1 4.35Å; D338-F343 HydrophobicContact CB-CB 4.17Å; D338-F343 PolarHBondContact OD2-N 2.9Å; F343-L345 HydrophobicContact CE1-CD2 4.28Å
344K91.3Very high86.1Confident138 Ų13872.6 Ų72.660%0.642%0.415SS*.  trans-137.4151.7178.2-59.9-175.1-174-177.90108.6G341G341-K344 WeakPolarHBondContact O-CE 3.12Å
345L91.3Very high85.4Confident39 Ų3974.3 Ų74.320%0.20443%0.431CS..  trans-76124.9169.7-53179.4000108.5W321 E332 F335 F343 H347W321-L345 HydrophobicContact CB-CD2 3.58Å; E332-L345 HydrophobicContact CG-CD1 3.77Å; F335-L345 HydrophobicContact CB-CD1 4.09Å; F335-L345 HydrophobicContact CD1-CD1 3.71Å; F335-L345 HydrophobicContact CD1-CG 3.99Å; F335-L345 HydrophobicContact CD2-CD1 4.3Å; F335-L345 HydrophobicContact CD2-CD2 3.77Å; F335-L345 HydrophobicContact CD2-CG 4.11Å; F335-L345 HydrophobicContact CE1-CD1 4.2Å; F335-L345 HydrophobicContact CE1-CG 4.02Å; F335-L345 HydrophobicContact CE2-CD2 3.94Å; F335-L345 HydrophobicContact CE2-CG 4.16Å; F335-L345 HydrophobicContact CG-CD1 3.77Å; F335-L345 HydrophobicContact CG-CD2 4.09Å; F335-L345 HydrophobicContact CG-CG 4.04Å; F335-L345 HydrophobicContact CZ-CD2 4.38Å; F335-L345 HydrophobicContact CZ-CG 4.11Å; F343-L345 HydrophobicContact CE1-CD2 4.28Å; L345-H347 VanDerWaalsContact CB-NE2 3.26Å; L345-H347 WeakPolarHBondContact CB-NE2 3.18Å; L345-H347 PolarHBondContact O-N 2.83Å
346N83.7Confident84.5Confident89 Ų8976.8 Ų76.848%0.47645%0.449SS..  trans-96.981.9178.2-65.5-39.9000109.1W321 D322W321-N346 PolarHBondContact O-N 3.45Å; D322-N346 PolarHBondContact OD1-ND2 3.17Å
347H69.5Low83.5Confident72 Ų7282.7 Ų82.733%0.33348%0.483SS..  trans-92140.1167-53.3-59.8000108.8E332 L345 S349E332-H347 IonicContact OE1-CD2 3.75Å; E332-H347 IonicContact OE1-CE1 3.33Å; E332-H347 PolarHBondContact OE1-CE1 2.95Å; E332-H347 IonicContact OE1-ND1 2.96Å; E332-H347 IonicContact OE1-NE2 2.61Å; E332-H347 PolarHBondContact OE1-NE2 3.4Å; E332-H347 VanDerWaalsContact OE1-NE2 3.09Å; L345-H347 VanDerWaalsContact CB-NE2 3.26Å; L345-H347 WeakPolarHBondContact CB-NE2 3.18Å; L345-H347 PolarHBondContact O-N 2.83Å; H347-S349 PolarHBondContact O-N 2.91Å
348H59Low82.4Confident135 Ų13582.3 Ų82.363%0.62548%0.476SS*.  trans-60.1136.5170.1-83.9-58.6000110.5F323F323-H348 AromaticContact CD1-CD2 3.12Å; F323-H348 WeakPolarHBondContact CD1-CD2 3.36Å; F323-H348 AromaticContact CD1-NE2 2.99Å; F323-H348 WeakPolarHBondContact CD1-NE2 3.45Å; F323-H348 AromaticContact CD2-CD2 3.47Å; F323-H348 VanDerWaalsContact CD2-CD2 3.47Å; F323-H348 WeakPolarHBondContact CD2-CD2 3.28Å; F323-H348 AromaticContact CE1-CD2 3.32Å; F323-H348 WeakPolarHBondContact CE1-CD2 3.31Å; F323-H348 AromaticContact CE1-NE2 3.31Å; F323-H348 VanDerWaalsContact CE1-NE2 3.31Å; F323-H348 WeakPolarHBondContact CE1-NE2 3.32Å; F323-H348 AromaticContact CE2-CD2 3.68Å; F323-H348 AromaticContact CG-CD2 3.18Å; F323-H348 WeakPolarHBondContact CG-CD2 3.1Å; F323-H348 AromaticContact CG-NE2 3.51Å; F323-H348 AromaticContact CZ-CD2 3.59Å
349S38.8Very low81.2Confident189 Ų18988.3 Ų88.3100%1.32251%0.512SS*.  trans-61.90157-44.80000111.4H347H347-S349 PolarHBondContact O-N 2.91Å

Retrieved 349 of 349 residues in 214.2 ms (Link to these results)

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