A0A087YPR8_POEFO Loading...

Beta-1,3-galactosyl-O-glycosyl-glycoprotein beta-1,6-N-acetylglucosaminyltransferase 3

Glycosyltransferase that can synthesize all known mucin beta 6 N-acetylglucosaminides. Mediates core 2 and core 4 O-glycan branching, 2 important steps in mucin-type biosynthesis. Also has I-branching enzyme activity by converting linear into branched poly-N-acetyllactosaminoglycans, leading to introduce the blood group I antigen during embryonic development.

AlphaFold DB , UniProt , Accession A0A087YPR8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 431 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
1M54.9Low63.6Low225 Ų225153.5 Ų153.5100%1.10868%0.683SS**  0108.10-156.8161.6170.400107.2
2T56.2Low64.7Low100 Ų100152.5 Ų152.561%0.61368%0.678SS**  trans-77.5138.8-153.127.60000114.4R4 K5T2-R4 PolarHBondContact O-N 2.95Å; T2-K5 PolarHBondContact O-N 2.85Å
3Y57.8Low65.7Low200 Ų200148.8 Ų148.878%0.78467%0.668SS**Hα-helixtrans-41.6-33.9177.3-158.9-102.8000114.4K5 L6 Q7Y3-K5 VanDerWaalsContact C-N 3.33Å; Y3-K5 PolarHBondContact O-N 3.32Å; Y3-L6 PolarHBondContact O-N 3.2Å; Y3-Q7 PolarHBondContact O-N 3.26Å
4R58.6Low66.7Low204 Ų204149.4 Ų149.477%0.7766%0.663SS**Hα-helixtrans-58.2-33.1173.7-92.4179.5168.8-179.9-2.9115T2 K8T2-R4 PolarHBondContact O-N 2.95Å; R4-K8 PolarHBondContact O-N 3.22Å
5K59.8Low67.6Low142 Ų142146.9 Ų146.962%0.61766%0.657SS**Hα-helixtrans-74.5-34.5177.3-80.5-171.4176.3-176.20111.8T2 Y3 R9T2-K5 PolarHBondContact O-N 2.85Å; Y3-K5 VanDerWaalsContact C-N 3.33Å; Y3-K5 PolarHBondContact O-N 3.32Å; K5-R9 PolarHBondContact O-N 3.06Å
6L62.7Low68.3Low111 Ų111140.7 Ų140.758%0.58163%0.634SS**Hα-helixtrans-68-45.7174.4-115.191.6000110.7Y3 K8 R9 W10Y3-L6 PolarHBondContact O-N 3.2Å; L6-K8 PolarHBondContact O-N 3.41Å; L6-R9 WeakPolarHBondContact O-CB 3.43Å; L6-R9 PolarHBondContact O-N 2.94Å; L6-R9 VanDerWaalsContact O-N 3.15Å; L6-W10 PolarHBondContact O-N 3.15Å
7Q68.1Low69.3Low118 Ų118140.8 Ų140.855%0.55163%0.633SS**Hα-helixtrans-61.1-42.6-179.7-166.2175-1.400112.2Y3 R9 W10 T11Y3-Q7 PolarHBondContact O-N 3.26Å; Q7-R9 PolarHBondContact O-N 2.94Å; Q7-W10 PolarHBondContact O-N 2.93Å; Q7-T11 PolarHBondContact O-N 3.28Å; Q7-T11 PolarHBondContact O-OG1 3.02Å
8K67.1Low70Confident161 Ų161138.4 Ų138.470%0.763%0.627SS**Hα-helixtrans-61.8-39.6174.7-80.1-171.9175-170.70113R4 L6 T11 F12R4-K8 PolarHBondContact O-N 3.22Å; L6-K8 PolarHBondContact O-N 3.41Å; K8-T11 VanDerWaalsContact CA-OG1 3.3Å; K8-T11 WeakPolarHBondContact CA-OG1 3.3Å; K8-T11 PolarHBondContact O-OG1 2.98Å; K8-F12 WeakPolarHBondContact O-CB 3.48Å; K8-F12 PolarHBondContact O-N 2.92Å
9R70.6Confident70.6Confident195 Ų195134.2 Ų134.274%0.73662%0.615SS**Hα-helixtrans-65.4-41.9175.6-103.9-178.1166.9-176.1-4.6111.9K5 L6 Q7 F12 L13K5-R9 PolarHBondContact O-N 3.06Å; L6-R9 WeakPolarHBondContact O-CB 3.43Å; L6-R9 PolarHBondContact O-N 2.94Å; L6-R9 VanDerWaalsContact O-N 3.15Å; Q7-R9 PolarHBondContact O-N 2.94Å; R9-F12 PolarHBondContact O-N 3.39Å; R9-L13 WeakPolarHBondContact O-CB 3.32Å; R9-L13 WeakPolarHBondContact O-CG 3.45Å; R9-L13 PolarHBondContact O-N 3.45Å
10W70.2Confident71.3Confident158 Ų158133.4 Ų133.460%0.59862%0.615SS**Hα-helixtrans-66.5-43.1177.1-88.386.8000112.4L6 Q7 F12 L13 W14L6-W10 PolarHBondContact O-N 3.15Å; Q7-W10 PolarHBondContact O-N 2.93Å; W10-F12 VanDerWaalsContact C-N 3.32Å; W10-F12 PolarHBondContact O-N 2.96Å; W10-L13 PolarHBondContact O-N 2.97Å; W10-W14 AromaticContact CE3-CD1 3.99Å; W10-W14 AromaticContact CE3-NE1 3.86Å; W10-W14 WeakPolarHBondContact O-CB 3.4Å; W10-W14 PolarHBondContact O-N 2.77Å
11T73.7Confident71.9Confident74 Ų74128.8 Ų128.845%0.45460%0.601SS.*Hα-helixtrans-63-38.5173.539.10000112.4Q7 K8 W14 I15Q7-T11 PolarHBondContact O-N 3.28Å; Q7-T11 PolarHBondContact O-OG1 3.02Å; K8-T11 VanDerWaalsContact CA-OG1 3.3Å; K8-T11 WeakPolarHBondContact CA-OG1 3.3Å; K8-T11 PolarHBondContact O-OG1 2.98Å; T11-W14 PolarHBondContact O-N 2.99Å; T11-I15 WeakPolarHBondContact O-CD1 3.21Å; T11-I15 WeakPolarHBondContact O-CG1 3.43Å; T11-I15 PolarHBondContact O-N 3.45Å
12F77.4Confident73.2Confident142 Ų142122 Ų12262%0.62357%0.574SS**Hα-helixtrans-65.2-45.6177.3-173.7-97.9000111.5K8 R9 W10 W14 I15 T16K8-F12 WeakPolarHBondContact O-CB 3.48Å; K8-F12 PolarHBondContact O-N 2.92Å; R9-F12 PolarHBondContact O-N 3.39Å; W10-F12 VanDerWaalsContact C-N 3.32Å; W10-F12 PolarHBondContact O-N 2.96Å; F12-W14 VanDerWaalsContact C-N 3.34Å; F12-W14 PolarHBondContact O-N 3.13Å; F12-I15 PolarHBondContact O-N 3.3Å; F12-T16 HydrophobicContact CD1-CG2 4.26Å; F12-T16 HydrophobicContact CE1-CG2 3.9Å; F12-T16 HydrophobicContact CZ-CG2 4.11Å; F12-T16 WeakPolarHBondContact O-CG2 3.4Å; F12-T16 PolarHBondContact O-N 3.44Å; F12-T16 PolarHBondContact O-OG1 3.37Å; F12-T16 VanDerWaalsContact O-OG1 3.13Å
13L77.3Confident74.4Confident105 Ų105122.5 Ų122.555%0.5557%0.573SS.*Hα-helixtrans-60.5-42176.1-79161.1000112.3R9 W10 T16 F17R9-L13 WeakPolarHBondContact O-CB 3.32Å; R9-L13 WeakPolarHBondContact O-CG 3.45Å; R9-L13 PolarHBondContact O-N 3.45Å; W10-L13 PolarHBondContact O-N 2.97Å; L13-T16 WeakPolarHBondContact CA-OG1 3.49Å; L13-T16 PolarHBondContact O-N 3.45Å; L13-T16 PolarHBondContact O-OG1 2.95Å; L13-F17 WeakPolarHBondContact O-CB 3.44Å; L13-F17 PolarHBondContact O-N 3.41Å
14W78.9Confident75.6Confident156 Ų156119.9 Ų119.959%0.59157%0.566SS**Hα-helixtrans-64.6-42.4176.4-94.484000113W10 T11 F12 F17 L18W10-W14 AromaticContact CE3-CD1 3.99Å; W10-W14 AromaticContact CE3-NE1 3.86Å; W10-W14 WeakPolarHBondContact O-CB 3.4Å; W10-W14 PolarHBondContact O-N 2.77Å; T11-W14 PolarHBondContact O-N 2.99Å; F12-W14 VanDerWaalsContact C-N 3.34Å; F12-W14 PolarHBondContact O-N 3.13Å; W14-F17 PolarHBondContact O-N 2.98Å; W14-L18 HydrophobicContact CE3-CD1 4.34Å; W14-L18 PolarHBondContact O-N 3.37Å
15I80.7Confident76.5Confident113 Ų113114.7 Ų114.758%0.57955%0.553SS**Hα-helixtrans-64.5-43.4176.5-68.2164.3000110.3T11 F12 F17 L18 S19T11-I15 WeakPolarHBondContact O-CD1 3.21Å; T11-I15 WeakPolarHBondContact O-CG1 3.43Å; T11-I15 PolarHBondContact O-N 3.45Å; F12-I15 PolarHBondContact O-N 3.3Å; I15-F17 VanDerWaalsContact C-N 3.33Å; I15-F17 PolarHBondContact O-N 2.75Å; I15-L18 PolarHBondContact O-N 3.2Å; I15-S19 PolarHBondContact O-N 3.02Å; I15-S19 PolarHBondContact O-OG 3.36Å
16T79.1Confident77Confident47 Ų47110.9 Ų110.929%0.28854%0.544SS..Hα-helixtrans-63.1-39.9177.350.80000112.1F12 L13 S19 L20F12-T16 HydrophobicContact CD1-CG2 4.26Å; F12-T16 HydrophobicContact CE1-CG2 3.9Å; F12-T16 HydrophobicContact CZ-CG2 4.11Å; F12-T16 WeakPolarHBondContact O-CG2 3.4Å; F12-T16 PolarHBondContact O-N 3.44Å; F12-T16 PolarHBondContact O-OG1 3.37Å; F12-T16 VanDerWaalsContact O-OG1 3.13Å; L13-T16 WeakPolarHBondContact CA-OG1 3.49Å; L13-T16 PolarHBondContact O-N 3.45Å; L13-T16 PolarHBondContact O-OG1 2.95Å; T16-S19 WeakPolarHBondContact CA-OG 3.4Å; T16-S19 PolarHBondContact O-N 3.38Å; T16-S19 PolarHBondContact O-OG 2.9Å; T16-L20 PolarHBondContact O-N 2.97Å
17F84.7Confident77.5Confident142 Ų142110.6 Ų110.662%0.62354%0.538SS*.Hα-helixtrans-65.3-44.5177.4-176.2-98.2000111.9L13 W14 I15 S19 L20 A21L13-F17 WeakPolarHBondContact O-CB 3.44Å; L13-F17 PolarHBondContact O-N 3.41Å; W14-F17 PolarHBondContact O-N 2.98Å; I15-F17 VanDerWaalsContact C-N 3.33Å; I15-F17 PolarHBondContact O-N 2.75Å; F17-S19 PolarHBondContact O-N 3.32Å; F17-L20 PolarHBondContact O-N 3.37Å; F17-A21 WeakPolarHBondContact O-CB 3.36Å; F17-A21 PolarHBondContact O-N 3.44Å
18L82.9Confident77.8Confident99 Ų99107.6 Ų107.652%0.51853%0.528SS..Hα-helixtrans-61.2-41.6174.9-88.7153.4000112.2W14 I15 A21 C22W14-L18 HydrophobicContact CE3-CD1 4.34Å; W14-L18 PolarHBondContact O-N 3.37Å; I15-L18 PolarHBondContact O-N 3.2Å; L18-A21 PolarHBondContact O-N 3.47Å; L18-C22 PolarHBondContact O-N 2.91Å
19S80.8Confident77.6Confident58 Ų58106.7 Ų106.741%0.40652%0.524SS..Hα-helixtrans-65.6-39.3176.956.20000113.1I15 T16 F17 C22 L23I15-S19 PolarHBondContact O-N 3.02Å; I15-S19 PolarHBondContact O-OG 3.36Å; T16-S19 WeakPolarHBondContact CA-OG 3.4Å; T16-S19 PolarHBondContact O-N 3.38Å; T16-S19 PolarHBondContact O-OG 2.9Å; F17-S19 PolarHBondContact O-N 3.32Å; S19-C22 PolarHBondContact O-N 2.85Å; S19-L23 WeakPolarHBondContact O-CG 3.33Å; S19-L23 PolarHBondContact O-N 3.44Å
20L83.8Confident77.2Confident117 Ų117105.7 Ų105.761%0.61352%0.521SS*.Hα-helixtrans-68.1-39.8175.7-86.8154.4000111.7T16 F17 L23 F24T16-L20 PolarHBondContact O-N 2.97Å; F17-L20 PolarHBondContact O-N 3.37Å; L20-L23 PolarHBondContact O-N 2.94Å; L20-F24 WeakPolarHBondContact O-CB 3.39Å; L20-F24 PolarHBondContact O-N 3.39Å
21A84.5Confident76.6Confident38 Ų38103.3 Ų103.331%0.31452%0.516SS..Hα-helixtrans-65-40.2175.300000112.1F17 L18 F24 L25F17-A21 WeakPolarHBondContact O-CB 3.36Å; F17-A21 PolarHBondContact O-N 3.44Å; L18-A21 PolarHBondContact O-N 3.47Å; A21-F24 PolarHBondContact O-N 3Å; A21-L25 WeakPolarHBondContact O-CB 3.37Å; A21-L25 WeakPolarHBondContact O-CG 3.08Å; A21-L25 PolarHBondContact O-N 3.3Å
22C82.1Confident75.7Confident81 Ų81103.1 Ų103.155%0.54752%0.515SS..Hα-helixtrans-64.8-41.4173.5-81.90000112.4L18 S19 L25 S26L18-C22 PolarHBondContact O-N 2.91Å; S19-C22 PolarHBondContact O-N 2.85Å; C22-L25 PolarHBondContact O-N 3.48Å; C22-S26 WeakPolarHBondContact O-CB 3.29Å; C22-S26 PolarHBondContact O-N 3.47Å; C22-S26 PolarHBondContact O-OG 2.87Å
23L82Confident74.3Confident112 Ų11299.1 Ų99.159%0.58651%0.508SS*.Hα-helixtrans-63.2-44.3175.2-77.5165.9000111.2S19 L20 S26 F27S19-L23 WeakPolarHBondContact O-CG 3.33Å; S19-L23 PolarHBondContact O-N 3.44Å; L20-L23 PolarHBondContact O-N 2.94Å; L23-S26 WeakPolarHBondContact CA-OG 3.33Å; L23-S26 PolarHBondContact O-N 2.7Å; L23-S26 PolarHBondContact O-OG 2.82Å; L23-F27 WeakPolarHBondContact O-CB 3.39Å; L23-F27 PolarHBondContact O-N 3.32Å
24F82.6Confident73Confident144 Ų14498.7 Ų98.763%0.63251%0.505SS*.Hα-helixtrans-64.1-45.1177.1-170.4-98.6000112L20 A21 S26 F27 V28L20-F24 WeakPolarHBondContact O-CB 3.39Å; L20-F24 PolarHBondContact O-N 3.39Å; A21-F24 PolarHBondContact O-N 3Å; F24-S26 VanDerWaalsContact C-N 3.34Å; F24-S26 PolarHBondContact O-N 3.3Å; F24-F27 PolarHBondContact O-N 2.87Å; F24-V28 HydrophobicContact CD1-CG2 4.07Å; F24-V28 HydrophobicContact CE1-CG2 3.75Å; F24-V28 HydrophobicContact CZ-CG2 4.08Å; F24-V28 WeakPolarHBondContact O-CG2 3.34Å; F24-V28 PolarHBondContact O-N 2.89Å
25L76.9Confident71.3Confident95 Ų9598 Ų9850%0.49751%0.513SS..Hα-helixtrans-61.7-42.2174.2-76.6167.9000111.4A21 C22 F27 V28 F29A21-L25 WeakPolarHBondContact O-CB 3.37Å; A21-L25 WeakPolarHBondContact O-CG 3.08Å; A21-L25 PolarHBondContact O-N 3.3Å; C22-L25 PolarHBondContact O-N 3.48Å; L25-F27 VanDerWaalsContact C-N 3.29Å; L25-F27 PolarHBondContact O-N 2.9Å; L25-V28 PolarHBondContact O-N 3.41Å; L25-F29 HydrophobicContact CB-CD2 4.45Å; L25-F29 HydrophobicContact CD2-CE2 4.46Å; L25-F29 WeakPolarHBondContact O-CB 3.41Å; L25-F29 WeakPolarHBondContact O-CD2 3.39Å; L25-F29 PolarHBondContact O-N 3.2Å
26S71.9Confident69.2Low63 Ų63103.6 Ų103.644%0.44153%0.527SS..Hα-helixtrans-63.6-35.4176.271.60000112.5C22 L23 F24 W30C22-S26 WeakPolarHBondContact O-CB 3.29Å; C22-S26 PolarHBondContact O-N 3.47Å; C22-S26 PolarHBondContact O-OG 2.87Å; L23-S26 WeakPolarHBondContact CA-OG 3.33Å; L23-S26 PolarHBondContact O-N 2.7Å; L23-S26 PolarHBondContact O-OG 2.82Å; F24-S26 VanDerWaalsContact C-N 3.34Å; F24-S26 PolarHBondContact O-N 3.3Å; S26-W30 VanDerWaalsContact O-CB 3.23Å; S26-W30 WeakPolarHBondContact O-CB 3.41Å; S26-W30 PolarHBondContact O-N 3.46Å
27F73.4Confident67.2Low105 Ų105104.9 Ų104.946%0.46154%0.538SS..Hα-helixtrans-70.4-42175.7-173.1-96000111.6L23 F24 L25 W30 E31L23-F27 WeakPolarHBondContact O-CB 3.39Å; L23-F27 PolarHBondContact O-N 3.32Å; F24-F27 PolarHBondContact O-N 2.87Å; L25-F27 VanDerWaalsContact C-N 3.29Å; L25-F27 PolarHBondContact O-N 2.9Å; F27-W30 CarbonylContact O-C 3.57Å; F27-W30 WeakPolarHBondContact O-CB 3.4Å; F27-W30 PolarHBondContact O-N 3.49Å; F27-E31 HydrophobicContact CD1-CG 4.36Å; F27-E31 VanDerWaalsContact CE1-CD 3.45Å; F27-E31 HydrophobicContact CE1-CG 3.9Å; F27-E31 VanDerWaalsContact CE1-OE1 3.29Å; F27-E31 WeakPolarHBondContact CE1-OE1 3.34Å; F27-E31 HydrophobicContact CZ-CG 4.19Å; F27-E31 PolarHBondContact O-N 3.5Å
28V73Confident64.9Low55 Ų55102.9 Ų102.933%0.33354%0.542SS..Hα-helixtrans-66.9-39.6174.9173.50000111.4F24 L25 W30 E31 T32F24-V28 HydrophobicContact CD1-CG2 4.07Å; F24-V28 HydrophobicContact CE1-CG2 3.75Å; F24-V28 HydrophobicContact CZ-CG2 4.08Å; F24-V28 WeakPolarHBondContact O-CG2 3.34Å; F24-V28 PolarHBondContact O-N 2.89Å; L25-V28 PolarHBondContact O-N 3.41Å; V28-W30 VanDerWaalsContact C-N 3.3Å; V28-W30 PolarHBondContact O-N 2.76Å; V28-E31 PolarHBondContact O-N 2.78Å; V28-T32 WeakPolarHBondContact O-CB 3.45Å; V28-T32 WeakPolarHBondContact O-CG2 3.23Å; V28-T32 PolarHBondContact O-N 3.19Å; V28-T32 PolarHBondContact O-OG1 2.87Å
29F64.1Low63Low142 Ų142103.1 Ų103.162%0.62355%0.549SS*.Hα-helixtrans-66.5-31.8172-80-63.5000112.1L25 T32 A33L25-F29 HydrophobicContact CB-CD2 4.45Å; L25-F29 HydrophobicContact CD2-CE2 4.46Å; L25-F29 WeakPolarHBondContact O-CB 3.41Å; L25-F29 WeakPolarHBondContact O-CD2 3.39Å; L25-F29 PolarHBondContact O-N 3.2Å; F29-T32 WeakPolarHBondContact CA-OG1 3.14Å; F29-T32 PolarHBondContact O-OG1 2.98Å; F29-A33 WeakPolarHBondContact O-CB 3.36Å; F29-A33 PolarHBondContact O-N 3.18Å
30W61.4Low61.3Low173 Ų173104.1 Ų104.166%0.65556%0.556SS**Hα-helixtrans-71.3-47.5173.4-168.4-5.9000111.4S26 F27 V28 T32 A33 I34S26-W30 VanDerWaalsContact O-CB 3.23Å; S26-W30 WeakPolarHBondContact O-CB 3.41Å; S26-W30 PolarHBondContact O-N 3.46Å; F27-W30 CarbonylContact O-C 3.57Å; F27-W30 WeakPolarHBondContact O-CB 3.4Å; F27-W30 PolarHBondContact O-N 3.49Å; V28-W30 VanDerWaalsContact C-N 3.3Å; V28-W30 PolarHBondContact O-N 2.76Å; W30-T32 PolarHBondContact O-N 3.42Å; W30-A33 CarbonylContact O-C 3.57Å; W30-A33 PolarHBondContact O-N 3.46Å; W30-I34 HydrophobicContact CG-CD1 4.22Å; W30-I34 VanDerWaalsContact O-CG1 3.32Å; W30-I34 WeakPolarHBondContact O-CG1 3.43Å; W30-I34 PolarHBondContact O-N 2.81Å
31E57.7Low60Low109 Ų109107.3 Ų107.351%0.50957%0.568SS.*Hα-helixtrans-61-44175.3-81.7-168.6158.900111.8F27 V28 A33 I34 D35F27-E31 HydrophobicContact CD1-CG 4.36Å; F27-E31 VanDerWaalsContact CE1-CD 3.45Å; F27-E31 HydrophobicContact CE1-CG 3.9Å; F27-E31 VanDerWaalsContact CE1-OE1 3.29Å; F27-E31 WeakPolarHBondContact CE1-OE1 3.34Å; F27-E31 HydrophobicContact CZ-CG 4.19Å; F27-E31 PolarHBondContact O-N 3.5Å; V28-E31 PolarHBondContact O-N 2.78Å; E31-A33 VanDerWaalsContact C-N 3.31Å; E31-A33 PolarHBondContact O-N 3.26Å; E31-I34 PolarHBondContact O-N 3.17Å; E31-D35 WeakPolarHBondContact O-CB 3.32Å; E31-D35 PolarHBondContact O-N 2.98Å
32T53.8Low59.4Low70 Ų70108.2 Ų108.243%0.42957%0.565SS.*Hα-helixtrans-69.6-26.4176.453.40000113.2V28 F29 W30 R36V28-T32 WeakPolarHBondContact O-CB 3.45Å; V28-T32 WeakPolarHBondContact O-CG2 3.23Å; V28-T32 PolarHBondContact O-N 3.19Å; V28-T32 PolarHBondContact O-OG1 2.87Å; F29-T32 WeakPolarHBondContact CA-OG1 3.14Å; F29-T32 PolarHBondContact O-OG1 2.98Å; W30-T32 PolarHBondContact O-N 3.42Å; T32-R36 WeakPolarHBondContact O-CG 3.37Å; T32-R36 PolarHBondContact O-N 3.43Å
33A49.1Very low59.3Low58 Ų58111.2 Ų111.248%0.47957%0.571SS.*Hα-helixtrans-74.1-36.2169.700000112.3F29 W30 E31 S37F29-A33 WeakPolarHBondContact O-CB 3.36Å; F29-A33 PolarHBondContact O-N 3.18Å; W30-A33 CarbonylContact O-C 3.57Å; W30-A33 PolarHBondContact O-N 3.46Å; E31-A33 VanDerWaalsContact C-N 3.31Å; E31-A33 PolarHBondContact O-N 3.26Å; A33-S37 PolarHBondContact O-N 2.84Å; A33-S37 PolarHBondContact O-OG 3.2Å
34I50Low59.5Low95 Ų95107.3 Ų107.349%0.48755%0.55SS.*Hα-helixtrans-66.2-43173.4-71.2163.3000110.2W30 E31 R36 S37W30-I34 HydrophobicContact CG-CD1 4.22Å; W30-I34 VanDerWaalsContact O-CG1 3.32Å; W30-I34 WeakPolarHBondContact O-CG1 3.43Å; W30-I34 PolarHBondContact O-N 2.81Å; E31-I34 PolarHBondContact O-N 3.17Å; I34-R36 VanDerWaalsContact C-N 3.32Å; I34-R36 PolarHBondContact O-N 3.21Å; I34-S37 WeakPolarHBondContact CA-OG 3.37Å; I34-S37 CarbonylContact O-C 3.59Å; I34-S37 WeakPolarHBondContact O-CA 3.5Å; I34-S37 PolarHBondContact O-N 3.43Å; I34-S37 PolarHBondContact O-OG 2.69Å
35D42.1Very low59.8Low142 Ų142101.4 Ų101.476%0.75953%0.526SS*.Hα-helixtrans-72.8-24.5-177.8-150.723000112.5E31 S37E31-D35 WeakPolarHBondContact O-CB 3.32Å; E31-D35 PolarHBondContact O-N 2.98Å; D35-S37 VanDerWaalsContact C-N 3.34Å
36R36.9Very low60.4Low230 Ų230104.9 Ų104.987%0.86854%0.54SS*.THydrogen-bonded Turntrans-79.5-13.6166.6-79.5-175.3-177.7-171.91.6114.1T32 I34 S38T32-R36 WeakPolarHBondContact O-CG 3.37Å; T32-R36 PolarHBondContact O-N 3.43Å; I34-R36 VanDerWaalsContact C-N 3.32Å; I34-R36 PolarHBondContact O-N 3.21Å; R36-S38 VanDerWaalsContact C-N 3.28Å; R36-S38 PolarHBondContact O-N 3.42Å
37S38Very low61.3Low75 Ų75106.9 Ų106.952%0.52454%0.542SS..  trans-94.342.1173.768.40000112.1A33 I34 D35 P39A33-S37 PolarHBondContact O-N 2.84Å; A33-S37 PolarHBondContact O-OG 3.2Å; I34-S37 WeakPolarHBondContact CA-OG 3.37Å; I34-S37 CarbonylContact O-C 3.59Å; I34-S37 WeakPolarHBondContact O-CA 3.5Å; I34-S37 PolarHBondContact O-N 3.43Å; I34-S37 PolarHBondContact O-OG 2.69Å; D35-S37 VanDerWaalsContact C-N 3.34Å; S37-P39 WeakPolarHBondContact O-CD 3.38Å
38S36.4Very low62.1Low99 Ų99102.2 Ų102.269%0.69252%0.522SS*.  trans-57.5120.1154-169.60000106.3R36 S40R36-S38 VanDerWaalsContact C-N 3.28Å; R36-S38 PolarHBondContact O-N 3.42Å; S38-S40 PolarHBondContact O-N 3.07Å; S38-S40 VanDerWaalsContact O-N 3.07Å
39P41.9Very low63.1Low105 Ų105102.2 Ų102.268%0.68252%0.524SS*.  trans-55.8124.8178.5-15.125.9000106.3S37 Q41S37-P39 WeakPolarHBondContact O-CD 3.38Å; P39-Q41 PolarHBondContact O-N 2.83Å
40S46.8Very low64.4Low79 Ų7998.5 Ų98.555%0.55252%0.52SS*.  trans-44.6111.9165.952.70000106.5S38 F42S38-S40 PolarHBondContact O-N 3.07Å; S38-S40 VanDerWaalsContact O-N 3.07Å; S40-F42 PolarHBondContact O-N 3.16Å; S40-F42 VanDerWaalsContact O-N 3.1Å
41Q56Low65.9Low184 Ų18490.7 Ų90.786%0.8649%0.491SS*.  trans-53.5123.3-165.9-133.1171.96.500107.7P39 H43P39-Q41 PolarHBondContact O-N 2.83Å; Q41-H43 PolarHBondContact O-N 3.06Å
42F71.1Confident67.7Low56 Ų5686.4 Ų86.425%0.24647%0.472CS..  trans-57.2104.9177.5175.1-97.4000108.8S40 I44 V105 L109 R413S40-F42 PolarHBondContact O-N 3.16Å; S40-F42 VanDerWaalsContact O-N 3.1Å; F42-I44 HydrophobicContact CD1-CG1 4.04Å; F42-I44 HydrophobicContact CE1-CD1 4.2Å; F42-I44 HydrophobicContact CE1-CG1 3.64Å; F42-V105 HydrophobicContact CD2-CG1 4.2Å; F42-V105 HydrophobicContact CE2-CB 4.3Å; F42-V105 HydrophobicContact CE2-CG1 3.78Å; F42-V105 HydrophobicContact CE2-CG2 3.55Å; F42-V105 HydrophobicContact CZ-CG2 4.2Å; F42-L109 HydrophobicContact CD2-CD1 4.42Å; F42-L109 HydrophobicContact CD2-CD2 3.35Å; F42-L109 HydrophobicContact CE2-CD1 3.83Å; F42-L109 HydrophobicContact CE2-CD2 3.58Å; F42-L109 HydrophobicContact CE2-CG 4.34Å; F42-L109 HydrophobicContact CG-CD2 4.17Å; F42-L109 HydrophobicContact CZ-CD1 4.27Å; F42-R413 VanDerWaalsContact CZ-CD 3.43Å
43H81.3Confident69.6Low145 Ų14585.5 Ų85.567%0.67147%0.467SS*.PPolyproline II helixtrans-89.9126.1-176.9-176.9-92.1000109.9Q41 P45Q41-H43 PolarHBondContact O-N 3.06Å; H43-P45 WeakPolarHBondContact O-CD 3.31Å
44I85.6Confident71.7Confident29 Ų2982.8 Ų82.815%0.14944%0.444CS..PPolyproline II helixtrans-91.8118.1171.2-61.9179.4000107.3F42 E46 F48 R413 F414F42-I44 HydrophobicContact CD1-CG1 4.04Å; F42-I44 HydrophobicContact CE1-CD1 4.2Å; F42-I44 HydrophobicContact CE1-CG1 3.64Å; I44-E46 PolarHBondContact O-N 2.69Å; I44-F48 HydrophobicContact CG2-CB 3.96Å; I44-F48 HydrophobicContact CG2-CD2 4.32Å; I44-R413 HydrophobicContact CG1-CG 4.21Å; I44-R413 HydrophobicContact CG2-CG 4Å; I44-F414 HydrophobicContact CD1-CD1 3.87Å; I44-F414 HydrophobicContact CD1-CD2 4.2Å; I44-F414 HydrophobicContact CD1-CE1 3.87Å; I44-F414 HydrophobicContact CD1-CE2 4.22Å; I44-F414 HydrophobicContact CD1-CG 4.05Å; I44-F414 HydrophobicContact CD1-CZ 4.06Å; I44-F414 HydrophobicContact CG2-CD2 4.28Å; I44-F414 HydrophobicContact CG2-CE2 3.7Å; I44-F414 HydrophobicContact CG2-CZ 4.02Å
45P89.3Confident73.9Confident21 Ų2178.3 Ų78.314%0.13642%0.421CS..PPolyproline II helixtrans-49.5137.4173.5-29.933.4000112.9H43 Q47 F48H43-P45 WeakPolarHBondContact O-CD 3.31Å; P45-Q47 PolarHBondContact O-N 3.39Å; P45-Q47 VanDerWaalsContact O-N 3.14Å; P45-F48 HydrophobicContact CB-CD2 3.89Å; P45-F48 HydrophobicContact CB-CE2 4.1Å; P45-F48 HydrophobicContact CG-CD2 3.83Å; P45-F48 HydrophobicContact CG-CE2 3.71Å; P45-F48 PolarHBondContact O-N 3.48Å
46E89.4Confident76.4Confident167 Ų16773.4 Ų73.478%0.7840%0.395SS*.Hα-helixtrans-53.6-37.3-176.8-172.4176-17100112.6I44 F48 S49 A50I44-E46 PolarHBondContact O-N 2.69Å; E46-F48 VanDerWaalsContact C-N 3.29Å; E46-F48 PolarHBondContact O-N 3.4Å; E46-S49 WeakPolarHBondContact O-CB 3.34Å; E46-S49 PolarHBondContact O-N 3.1Å; E46-S49 VanDerWaalsContact O-N 3.08Å; E46-A50 PolarHBondContact O-N 3Å
47Q89.2Confident79.1Confident105 Ų10562.6 Ų62.649%0.49136%0.355SS..Hα-helixtrans-56.2-40.3176.8-173.461.656.900113P45 S49 A50 D51P45-Q47 PolarHBondContact O-N 3.39Å; P45-Q47 VanDerWaalsContact O-N 3.14Å; Q47-S49 VanDerWaalsContact C-N 3.34Å; Q47-A50 PolarHBondContact O-N 3.25Å; Q47-D51 PolarHBondContact NE2-OD1 3.31Å; Q47-D51 PolarHBondContact NE2-OD2 3.39Å; Q47-D51 WeakPolarHBondContact O-CB 3.4Å; Q47-D51 PolarHBondContact O-N 3.39Å
48F91.9Very high81.7Confident8 Ų861 Ų614%0.03534%0.34CS..Hα-helixtrans-70.2-35.5179.3-61.1-36.9000111.6I44 P45 E46 L52 E409 S410 R413 F414I44-F48 HydrophobicContact CG2-CB 3.96Å; I44-F48 HydrophobicContact CG2-CD2 4.32Å; P45-F48 HydrophobicContact CB-CD2 3.89Å; P45-F48 HydrophobicContact CB-CE2 4.1Å; P45-F48 HydrophobicContact CG-CD2 3.83Å; P45-F48 HydrophobicContact CG-CE2 3.71Å; P45-F48 PolarHBondContact O-N 3.48Å; E46-F48 VanDerWaalsContact C-N 3.29Å; E46-F48 PolarHBondContact O-N 3.4Å; F48-L52 WeakPolarHBondContact O-CB 3.47Å; F48-L52 PolarHBondContact O-N 3.13Å; F48-L52 VanDerWaalsContact O-N 3.09Å; F48-E409 HydrophobicContact CD1-CB 4.26Å; F48-E409 HydrophobicContact CE1-CB 3.75Å; F48-E409 HydrophobicContact CZ-CB 4.32Å; F48-S410 WeakPolarHBondContact CA-OG 3.41Å; F48-S410 PolarHBondContact O-OG 3.12Å; F48-R413 HydrophobicContact CD2-CB 4.18Å; F48-R413 HydrophobicContact CD2-CG 3.79Å; F48-R413 HydrophobicContact CE2-CG 4.23Å; F48-F414 HydrophobicContact CB-CE2 4.38Å
49S92.3Very high84.5Confident54 Ų5456.4 Ų56.438%0.37831%0.308SS..Hα-helixtrans-66.9-40.1174.7-57.10000111.7E46 Q47 P53 F414E46-S49 WeakPolarHBondContact O-CB 3.34Å; E46-S49 PolarHBondContact O-N 3.1Å; E46-S49 VanDerWaalsContact O-N 3.08Å; Q47-S49 VanDerWaalsContact C-N 3.34Å; S49-P53 WeakPolarHBondContact O-CD 3.34Å; S49-F414 WeakPolarHBondContact OG-CZ 3.45Å
50A92.3Very high86.8Confident64 Ų6454 Ų5453%0.52929%0.291SS..Hα-helixtrans-65.9-40.3176.200000112.2E46 Q47E46-A50 PolarHBondContact O-N 3Å; Q47-A50 PolarHBondContact O-N 3.25Å
51D93.5Very high88.8Confident9 Ų953.1 Ų53.15%0.04829%0.294CS..Hα-helixtrans-74.2-29.3-179.1-71.1-5.7000113.1Q47 G54 C55 R406Q47-D51 PolarHBondContact NE2-OD1 3.31Å; Q47-D51 PolarHBondContact NE2-OD2 3.39Å; Q47-D51 WeakPolarHBondContact O-CB 3.4Å; Q47-D51 PolarHBondContact O-N 3.39Å; D51-G54 PolarHBondContact O-N 2.65Å; D51-C55 VanDerWaalsContact O-CB 3.32Å; D51-C55 WeakPolarHBondContact O-CB 3.22Å; D51-C55 PolarHBondContact O-N 2.86Å; D51-C55 PolarHBondContact O-SG 2.98Å; D51-R406 VanDerWaalsContact CG-NH2 3.26Å; D51-R406 IonicContact OD1-CZ 3.2Å; D51-R406 IonicContact OD1-NE 2.65Å; D51-R406 IonicContact OD1-NH2 3.49Å; D51-R406 PolarHBondContact OD1-NH2 3.2Å; D51-R406 IonicContact OD2-CZ 2.8Å; D51-R406 IonicContact OD2-NE 2.83Å; D51-R406 PolarHBondContact OD2-NE 3.01Å; D51-R406 IonicContact OD2-NH2 2.82Å; D51-R406 PolarHBondContact OD2-NH2 3.27Å; D51-R406 VanDerWaalsContact OD2-NH2 3.17Å
52L94Very high90.3Very high20 Ų2049 Ų4911%0.10528%0.278CS..Hα-helixtrans-56.2-49.5-167.7-176.469.7000113.5F48 G54 C55 L56 V411 F414 P421F48-L52 WeakPolarHBondContact O-CB 3.47Å; F48-L52 PolarHBondContact O-N 3.13Å; F48-L52 VanDerWaalsContact O-N 3.09Å; L52-G54 PolarHBondContact O-N 2.83Å; L52-C55 WeakPolarHBondContact O-CB 3.45Å; L52-C55 PolarHBondContact O-N 3.22Å; L52-L56 HydrophobicContact CD1-CD1 4.15Å; L52-L56 HydrophobicContact CD1-CD2 4.12Å; L52-L56 HydrophobicContact CD1-CG 3.94Å; L52-L56 HydrophobicContact CD2-CD1 4.42Å; L52-L56 HydrophobicContact CG-CD1 3.92Å; L52-L56 HydrophobicContact CG-CG 4.11Å; L52-L56 VanDerWaalsContact O-CG 3.29Å; L52-L56 WeakPolarHBondContact O-CG 3.48Å; L52-L56 PolarHBondContact O-N 3.29Å; L52-V411 HydrophobicContact CD1-CG2 4.22Å; L52-F414 HydrophobicContact CB-CE2 4.27Å; L52-F414 HydrophobicContact CD1-CD2 4.33Å; L52-F414 HydrophobicContact CD2-CD1 3.83Å; L52-F414 HydrophobicContact CD2-CD2 3.76Å; L52-F414 HydrophobicContact CD2-CE1 3.88Å; L52-F414 HydrophobicContact CD2-CE2 3.8Å; L52-F414 HydrophobicContact CD2-CG 3.76Å; L52-F414 HydrophobicContact CD2-CZ 3.85Å; L52-F414 HydrophobicContact CG-CD2 4.46Å; L52-P421 HydrophobicContact CD1-CB 4.41Å; L52-P421 HydrophobicContact CD1-CG 4.22Å
53P93.8Very high91Very high51 Ų5150 Ų5033%0.33129%0.289SS..Hα-helixtrans-58.7-48.4-178.5-24.334.8000113S49 C55 L56 A57 E69S49-P53 WeakPolarHBondContact O-CD 3.34Å; P53-C55 VanDerWaalsContact C-N 3.32Å; P53-C55 PolarHBondContact O-N 3.19Å; P53-L56 PolarHBondContact O-N 3.34Å; P53-A57 PolarHBondContact O-N 3.33Å; P53-E69 HydrophobicContact CB-CB 4.31Å; P53-E69 HydrophobicContact CB-CG 4.11Å
54G94.6Very high91.3Very high1 Ų151.4 Ų51.41%0.0130%0.296CS..Hα-helixtrans-63.6-38.1177.100000112.3D51 L52 A57 I58D51-G54 PolarHBondContact O-N 2.65Å; L52-G54 PolarHBondContact O-N 2.83Å; G54-A57 PolarHBondContact O-N 3.04Å; G54-I58 WeakPolarHBondContact O-CG1 3.11Å; G54-I58 PolarHBondContact O-N 3.41Å
55C95.5Very high91.2Very high0 Ų053.6 Ų53.60%033%0.325CS..Hα-helixtrans-65-43.5175.4-75.90000113.2D51 L52 P53 A57 I58 I59 C407D51-C55 VanDerWaalsContact O-CB 3.32Å; D51-C55 WeakPolarHBondContact O-CB 3.22Å; D51-C55 PolarHBondContact O-N 2.86Å; D51-C55 PolarHBondContact O-SG 2.98Å; L52-C55 WeakPolarHBondContact O-CB 3.45Å; L52-C55 PolarHBondContact O-N 3.22Å; P53-C55 VanDerWaalsContact C-N 3.32Å; P53-C55 PolarHBondContact O-N 3.19Å; C55-A57 VanDerWaalsContact C-N 3.31Å; C55-A57 PolarHBondContact O-N 3.35Å; C55-I58 PolarHBondContact O-N 3.29Å; C55-I59 WeakPolarHBondContact O-CB 3.46Å; C55-I59 WeakPolarHBondContact O-CD1 3.34Å; C55-I59 WeakPolarHBondContact O-CG1 3.42Å; C55-I59 PolarHBondContact O-N 3.41Å; C55-C407 WeakPolarHBondContact CA-SG 3.42Å; C55-C407 HydrophobicContact CB-CB 3.53Å; C55-C407 WeakPolarHBondContact CB-SG 3.25Å; C55-C407 WeakPolarHBondContact SG-CA 3.32Å; C55-C407 WeakPolarHBondContact SG-CB 3.3Å; C55-C407 CovalentContact SG-SG 2.04Å; C55-C407 PolarHBondContact SG-SG 3.25Å
56L94.7Very high91.2Very high40 Ų4054.1 Ų54.121%0.20933%0.328CS..Hα-helixtrans-63.6-39.5176.8-67177.6000111.3L52 P53 I59 T60 V411 P421 L422L52-L56 HydrophobicContact CD1-CD1 4.15Å; L52-L56 HydrophobicContact CD1-CD2 4.12Å; L52-L56 HydrophobicContact CD1-CG 3.94Å; L52-L56 HydrophobicContact CD2-CD1 4.42Å; L52-L56 HydrophobicContact CG-CD1 3.92Å; L52-L56 HydrophobicContact CG-CG 4.11Å; L52-L56 VanDerWaalsContact O-CG 3.29Å; L52-L56 WeakPolarHBondContact O-CG 3.48Å; L52-L56 PolarHBondContact O-N 3.29Å; P53-L56 PolarHBondContact O-N 3.34Å; L56-I59 PolarHBondContact O-N 2.9Å; L56-T60 VanDerWaalsContact O-CB 3.32Å; L56-T60 WeakPolarHBondContact O-CB 3.39Å; L56-T60 WeakPolarHBondContact O-CG2 3.36Å; L56-T60 PolarHBondContact O-N 3.18Å; L56-T60 PolarHBondContact O-OG1 3.15Å; L56-V411 HydrophobicContact CD2-CG2 4.23Å; L56-P421 HydrophobicContact CD1-CB 3.88Å; L56-P421 HydrophobicContact CD2-CB 3.75Å; L56-P421 HydrophobicContact CD2-CG 3.98Å; L56-P421 HydrophobicContact CG-CB 4.42Å; L56-L422 HydrophobicContact CD2-CD2 3.51Å; L56-L422 HydrophobicContact CD2-CG 4.2Å
57A93.8Very high91.2Very high3 Ų352.7 Ų52.73%0.02532%0.32CS..Hα-helixtrans-62.1-44.9175.500000112.4P53 G54 C55 I59 T60 G61 D62 V63 T66 V70P53-A57 PolarHBondContact O-N 3.33Å; G54-A57 PolarHBondContact O-N 3.04Å; C55-A57 VanDerWaalsContact C-N 3.31Å; C55-A57 PolarHBondContact O-N 3.35Å; A57-I59 PolarHBondContact O-N 3.19Å; A57-T60 PolarHBondContact O-OG1 3.21Å; A57-G61 WeakPolarHBondContact O-CA 3.46Å; A57-G61 PolarHBondContact O-N 3.44Å; A57-D62 WeakPolarHBondContact CA-O 3.36Å; A57-D62 VanDerWaalsContact CB-O 3.25Å; A57-D62 WeakPolarHBondContact CB-O 3.47Å; A57-D62 PolarHBondContact O-N 3.44Å; A57-V63 HydrophobicContact CB-CG1 4.48Å; A57-T66 WeakPolarHBondContact CB-OG1 3.43Å; A57-V70 HydrophobicContact CB-CG2 3.52Å
58I93.1Very high91.3Very high40 Ų4050.9 Ų50.921%0.20532%0.322CS..Hα-helixtrans-63.3-42.9175.5-68167.6000111.4G54 C55 V70 L73 A379 I403G54-I58 WeakPolarHBondContact O-CG1 3.11Å; G54-I58 PolarHBondContact O-N 3.41Å; C55-I58 PolarHBondContact O-N 3.29Å; I58-V70 HydrophobicContact CG1-CG1 4.44Å; I58-L73 HydrophobicContact CD1-CD2 3.85Å; I58-A379 HydrophobicContact CG2-CB 3.8Å; I58-I403 HydrophobicContact CD1-CG2 3.96Å
59I93.9Very high91.3Very high3 Ų354 Ų542%0.01534%0.337CS..Hα-helixtrans-68.8-45.1-178.3-70164.8000111C55 L56 A57 G61 L382 L383 L386 C407 V411 L422C55-I59 WeakPolarHBondContact O-CB 3.46Å; C55-I59 WeakPolarHBondContact O-CD1 3.34Å; C55-I59 WeakPolarHBondContact O-CG1 3.42Å; C55-I59 PolarHBondContact O-N 3.41Å; L56-I59 PolarHBondContact O-N 2.9Å; A57-I59 PolarHBondContact O-N 3.19Å; I59-G61 VanDerWaalsContact C-N 3.35Å; I59-L382 HydrophobicContact CD1-CB 4.46Å; I59-L382 HydrophobicContact CD1-CD1 4.22Å; I59-L382 HydrophobicContact CG1-CB 3.79Å; I59-L382 HydrophobicContact CG1-CD1 3.94Å; I59-L383 HydrophobicContact CG2-CB 4.28Å; I59-L383 HydrophobicContact CG2-CD1 3.97Å; I59-L383 VanDerWaalsContact O-CB 3.27Å; I59-L383 WeakPolarHBondContact O-CB 3.4Å; I59-L383 WeakPolarHBondContact O-CD2 3.43Å; I59-L386 HydrophobicContact CD1-CD1 3.98Å; I59-L386 HydrophobicContact CG2-CD1 4.32Å; I59-C407 HydrophobicContact CD1-CB 4.46Å; I59-V411 HydrophobicContact CD1-CG2 3.69Å; I59-L422 HydrophobicContact CG2-CD1 4.3Å; I59-L422 HydrophobicContact CG2-CD2 3.93Å
60T90.8Very high91.3Very high54 Ų5452.1 Ų52.133%0.33132%0.324SS..Hα-helixtrans-76.7-25.8-17856.40000112.2L56 A57 D62 L425L56-T60 VanDerWaalsContact O-CB 3.32Å; L56-T60 WeakPolarHBondContact O-CB 3.39Å; L56-T60 WeakPolarHBondContact O-CG2 3.36Å; L56-T60 PolarHBondContact O-N 3.18Å; L56-T60 PolarHBondContact O-OG1 3.15Å; A57-T60 PolarHBondContact O-OG1 3.21Å; T60-D62 PolarHBondContact OG1-N 3.27Å; T60-D62 VanDerWaalsContact OG1-N 3.11Å; T60-L425 HydrophobicContact CG2-CD1 3.8Å; T60-L425 HydrophobicContact CG2-CD2 4.38Å; T60-L425 HydrophobicContact CG2-CG 4.43Å
61G87.8Confident91.2Very high61 Ų6154.3 Ų54.363%0.62932%0.323SS*.SBendtrans76.74.3-166.700000113.1A57 I59A57-G61 WeakPolarHBondContact O-CA 3.46Å; A57-G61 PolarHBondContact O-N 3.44Å; I59-G61 VanDerWaalsContact C-N 3.35Å
62D88.2Confident91Very high97 Ų9761.1 Ų61.152%0.51935%0.354SS..  trans-95.5102.9176.6-173.63.9000109.6A57 T60 E64A57-D62 WeakPolarHBondContact CA-O 3.36Å; A57-D62 VanDerWaalsContact CB-O 3.25Å; A57-D62 WeakPolarHBondContact CB-O 3.47Å; A57-D62 PolarHBondContact O-N 3.44Å; T60-D62 PolarHBondContact OG1-N 3.27Å; T60-D62 VanDerWaalsContact OG1-N 3.11Å; D62-E64 WeakPolarHBondContact OD1-CB 3.45Å; D62-E64 PolarHBondContact OD1-N 3.46Å; D62-E64 VanDerWaalsContact OD1-N 3.15Å
63V86.1Confident90.8Very high77 Ų7760.5 Ų60.547%0.46735%0.351SS..  trans-100.71.5-179.7-61.90000112.4A57 G65 T66A57-V63 HydrophobicContact CB-CG1 4.48Å; V63-G65 PolarHBondContact O-N 3.31Å; V63-T66 PolarHBondContact O-N 3.29Å
64E86.9Confident90.5Very high175 Ų17562.1 Ų62.182%0.81836%0.357SS*.THydrogen-bonded Turntrans-68.4124.4-178.5-165.6171.9-179.900109.6D62 T66D62-E64 WeakPolarHBondContact OD1-CB 3.45Å; D62-E64 PolarHBondContact OD1-N 3.46Å; D62-E64 VanDerWaalsContact OD1-N 3.15Å; E64-T66 VanDerWaalsContact C-N 3.26Å; E64-T66 PolarHBondContact O-N 3.07Å
65G84.7Confident90.1Very high75 Ų7564.8 Ų64.877%0.77338%0.378SS*.THydrogen-bonded Turntrans78.8-5.9-177.900000116.1V63V63-G65 PolarHBondContact O-N 3.31Å
66T88.8Confident89.5Confident32 Ų3266.1 Ų66.120%0.19639%0.388CS..  trans-12321.6179.360.90000113.6A57 V63 E64 A68 E69 V70A57-T66 WeakPolarHBondContact CB-OG1 3.43Å; V63-T66 PolarHBondContact O-N 3.29Å; E64-T66 VanDerWaalsContact C-N 3.26Å; E64-T66 PolarHBondContact O-N 3.07Å; T66-A68 VanDerWaalsContact C-N 3.34Å; T66-A68 PolarHBondContact O-N 3.32Å; T66-E69 WeakPolarHBondContact CA-OE2 3.47Å; T66-E69 PolarHBondContact O-N 2.93Å; T66-V70 WeakPolarHBondContact O-CG2 3.42Å; T66-V70 PolarHBondContact O-N 3.33Å
67K90Very high88.6Confident138 Ų13870.1 Ų70.160%0.640%0.4SS*.Hα-helixtrans-62.6-40.3-174-176.5175.3173.1-179.20112.2V70 E71K67-V70 PolarHBondContact O-N 3.36Å; K67-E71 WeakPolarHBondContact CE-OE1 3.5Å; K67-E71 HydrophobicContact CG-CG 4.48Å; K67-E71 IonicContact NZ-OE1 2.76Å; K67-E71 WeakPolarHBondContact O-CB 3.43Å; K67-E71 VanDerWaalsContact O-CG 3.31Å; K67-E71 WeakPolarHBondContact O-CG 3.48Å; K67-E71 PolarHBondContact O-N 2.95Å
68A90.9Very high87.2Confident66 Ų6674.7 Ų74.755%0.54543%0.432SS..Hα-helixtrans-65.7-42.4-17900000111.5T66 E71 E72T66-A68 VanDerWaalsContact C-N 3.34Å; T66-A68 PolarHBondContact O-N 3.32Å; A68-E71 PolarHBondContact O-N 2.85Å; A68-E72 WeakPolarHBondContact O-CB 3.3Å; A68-E72 PolarHBondContact O-N 3.22Å
69E92.3Very high85.8Confident73 Ų7380.8 Ų80.834%0.34146%0.457SS..Hα-helixtrans-66.9-39.6179-62.780179.400111.2P53 T66 L73P53-E69 HydrophobicContact CB-CB 4.31Å; P53-E69 HydrophobicContact CB-CG 4.11Å; T66-E69 WeakPolarHBondContact CA-OE2 3.47Å; T66-E69 PolarHBondContact O-N 2.93Å; E69-L73 VanDerWaalsContact O-CB 3.26Å; E69-L73 WeakPolarHBondContact O-CB 3.4Å; E69-L73 PolarHBondContact O-N 3.38Å
70V90.9Very high84.3Confident16 Ų1687.8 Ų87.810%0.09749%0.487CS..Hα-helixtrans-64.9-44.6172.9172.70000110.8A57 I58 T66 K67 L73 L74A57-V70 HydrophobicContact CB-CG2 3.52Å; I58-V70 HydrophobicContact CG1-CG1 4.44Å; T66-V70 WeakPolarHBondContact O-CG2 3.42Å; T66-V70 PolarHBondContact O-N 3.33Å; K67-V70 PolarHBondContact O-N 3.36Å; V70-L73 PolarHBondContact O-N 3.31Å; V70-L74 HydrophobicContact CG1-CD1 3.68Å; V70-L74 HydrophobicContact CG1-CG 4.24Å; V70-L74 WeakPolarHBondContact O-CB 3.48Å; V70-L74 WeakPolarHBondContact O-CG 3.35Å; V70-L74 PolarHBondContact O-N 3.37Å
71E90.9Very high83.2Confident110 Ų11091 Ų9151%0.51451%0.507SS..Hα-helixtrans-62.5-42.4177.5-77177179.800112K67 A68 L74 A75K67-E71 WeakPolarHBondContact CE-OE1 3.5Å; K67-E71 HydrophobicContact CG-CG 4.48Å; K67-E71 IonicContact NZ-OE1 2.76Å; K67-E71 WeakPolarHBondContact O-CB 3.43Å; K67-E71 VanDerWaalsContact O-CG 3.31Å; K67-E71 WeakPolarHBondContact O-CG 3.48Å; K67-E71 PolarHBondContact O-N 2.95Å; A68-E71 PolarHBondContact O-N 2.85Å; E71-L74 PolarHBondContact O-N 3.12Å; E71-A75 WeakPolarHBondContact O-CB 3.11Å; E71-A75 PolarHBondContact O-N 3.21Å
72E89.6Confident82.9Confident152 Ų15292.2 Ų92.271%0.7150%0.502SS*.Hα-helixtrans-62.8-47.3175.4-178.3173.5-173.100111.8A68 L74 A75 S76A68-E72 WeakPolarHBondContact O-CB 3.3Å; A68-E72 PolarHBondContact O-N 3.22Å; E72-L74 PolarHBondContact O-N 3.48Å; E72-A75 PolarHBondContact O-N 3.09Å; E72-S76 PolarHBondContact O-N 3.49Å
73L89.4Confident83Confident7 Ų789.7 Ų89.74%0.03749%0.488CS..Hα-helixtrans-62-44.5178.3-17560.6000111.1I58 E69 V70 S76 I403I58-L73 HydrophobicContact CD1-CD2 3.85Å; E69-L73 VanDerWaalsContact O-CB 3.26Å; E69-L73 WeakPolarHBondContact O-CB 3.4Å; E69-L73 PolarHBondContact O-N 3.38Å; V70-L73 PolarHBondContact O-N 3.31Å; L73-S76 WeakPolarHBondContact O-CB 3.31Å; L73-S76 PolarHBondContact O-N 2.77Å; L73-S76 PolarHBondContact O-OG 2.93Å; L73-I403 HydrophobicContact CD1-CG2 4.43Å; L73-I403 HydrophobicContact CD2-CG2 3.86Å; L73-I403 HydrophobicContact CG-CD1 4.38Å; L73-I403 HydrophobicContact CG-CG1 4.36Å; L73-I403 HydrophobicContact CG-CG2 3.94Å; L73-I403 WeakPolarHBondContact O-CD1 3.43Å
74L87.9Confident83.4Confident85 Ų8588.7 Ų88.745%0.44549%0.485SS..Hα-helixtrans-66.8-37.9175.8-69.4172.3000112.3V70 E71 E72 S76 R77 I403V70-L74 HydrophobicContact CG1-CD1 3.68Å; V70-L74 HydrophobicContact CG1-CG 4.24Å; V70-L74 WeakPolarHBondContact O-CB 3.48Å; V70-L74 WeakPolarHBondContact O-CG 3.35Å; V70-L74 PolarHBondContact O-N 3.37Å; E71-L74 PolarHBondContact O-N 3.12Å; E72-L74 PolarHBondContact O-N 3.48Å; L74-S76 PolarHBondContact O-N 2.88Å; L74-R77 WeakPolarHBondContact O-CB 3.01Å; L74-R77 PolarHBondContact O-N 2.91Å; L74-R77 VanDerWaalsContact O-N 3.11Å; L74-I403 HydrophobicContact CD2-CD1 3.77Å
75A86.7Confident83.9Confident56 Ų5682.8 Ų82.846%0.46346%0.457SS..Hα-helixtrans-62.8-34.317600000111.5E71 E72 R77 S78E71-A75 WeakPolarHBondContact O-CB 3.11Å; E71-A75 PolarHBondContact O-N 3.21Å; E72-A75 PolarHBondContact O-N 3.09Å; A75-R77 PolarHBondContact O-N 3.32Å; A75-S78 WeakPolarHBondContact O-CB 3.43Å; A75-S78 PolarHBondContact O-N 3.42Å; A75-S78 VanDerWaalsContact O-N 3.14Å; A75-S78 PolarHBondContact O-OG 2.65Å
76S82.1Confident84.6Confident29 Ų2984.7 Ų84.720%0.20345%0.45CS..Hα-helixtrans-61.8-22.6175.781.50000113.7E72 L73 L74 S78 K79 R406E72-S76 PolarHBondContact O-N 3.49Å; L73-S76 WeakPolarHBondContact O-CB 3.31Å; L73-S76 PolarHBondContact O-N 2.77Å; L73-S76 PolarHBondContact O-OG 2.93Å; L74-S76 PolarHBondContact O-N 2.88Å; S76-S78 PolarHBondContact O-N 3.45Å; S76-S78 VanDerWaalsContact O-N 3.12Å; S76-K79 PolarHBondContact O-N 3.12Å; S76-R406 PolarHBondContact OG-NH1 2.64Å
77R74.8Confident85Confident123 Ų12386.8 Ų86.846%0.46446%0.456SS..THydrogen-bonded Turntrans-57.5-27.7174.2-163.9179.2-175.9177.45.9113.2L74 A75 V400 I403L74-R77 WeakPolarHBondContact O-CB 3.01Å; L74-R77 PolarHBondContact O-N 2.91Å; L74-R77 VanDerWaalsContact O-N 3.11Å; A75-R77 PolarHBondContact O-N 3.32Å; R77-V400 PolarHBondContact NH2-O 3.39Å; R77-I403 HydrophobicContact CB-CD1 4.18Å
78S64.5Low85.3Confident99 Ų9980.2 Ų80.269%0.69243%0.428SS*.THydrogen-bonded Turntrans-77.9-22178.368.40000113.3A75 S76 K80A75-S78 WeakPolarHBondContact O-CB 3.43Å; A75-S78 PolarHBondContact O-N 3.42Å; A75-S78 VanDerWaalsContact O-N 3.14Å; A75-S78 PolarHBondContact O-OG 2.65Å; S76-S78 PolarHBondContact O-N 3.45Å; S76-S78 VanDerWaalsContact O-N 3.12Å; S78-K80 VanDerWaalsContact C-N 3.27Å; S78-K80 PolarHBondContact O-N 2.97Å; S78-K80 VanDerWaalsContact O-N 3.13Å
79K64.1Low85.7Confident169 Ų16978 Ų7874%0.73541%0.406SS*.  trans-90.151.3-177.5-63.7-179.2-179174.10111.5S76 T81S76-K79 PolarHBondContact O-N 3.12Å; K79-T81 PolarHBondContact O-N 3.46Å; K79-T81 PolarHBondContact O-OG1 3.47Å
80K63.1Low86Confident149 Ų14979.3 Ų79.365%0.64842%0.416SS*.  trans-60.298.8-179-71.5-172.9174.2-168.90111S78 E399S78-K80 VanDerWaalsContact C-N 3.27Å; S78-K80 PolarHBondContact O-N 2.97Å; S78-K80 VanDerWaalsContact O-N 3.13Å; K80-E399 PolarHBondContact NZ-O 3.42Å
81T66.9Low86.3Confident122 Ų12279.9 Ų79.975%0.74842%0.422SS*.  trans-125.390.2166.634.50000108K79K79-T81 PolarHBondContact O-N 3.46Å; K79-T81 PolarHBondContact O-OG1 3.47Å
82T81.1Confident86.6Confident86 Ų8674.9 Ų74.953%0.52840%0.399SS..PPolyproline II helixtrans-68.4139.7169.746.90000109.4S84 E129T82-S84 PolarHBondContact O-N 2.89Å; T82-E129 WeakPolarHBondContact CA-OE2 3.45Å; T82-E129 WeakPolarHBondContact CB-OE2 3.39Å
83L91.1Very high87.1Confident44 Ų4475.3 Ų75.323%0.2340%0.399CS..PPolyproline II helixtrans-78.9122.6-179.9-63.5172.2000109.8F87 Y88 R102 E129L83-F87 HydrophobicContact CB-CD1 3.91Å; L83-F87 HydrophobicContact CB-CE1 4.44Å; L83-F87 HydrophobicContact CB-CG 4.36Å; L83-F87 HydrophobicContact CD1-CD1 4.1Å; L83-F87 HydrophobicContact CD1-CE1 3.77Å; L83-F87 HydrophobicContact CD1-CZ 4.27Å; L83-F87 HydrophobicContact CD2-CD1 4.01Å; L83-F87 HydrophobicContact CD2-CD2 4.1Å; L83-F87 HydrophobicContact CD2-CE1 4.14Å; L83-F87 HydrophobicContact CD2-CE2 4.21Å; L83-F87 HydrophobicContact CD2-CG 3.99Å; L83-F87 HydrophobicContact CD2-CZ 4.24Å; L83-F87 HydrophobicContact CG-CD1 4.23Å; L83-F87 HydrophobicContact CG-CE1 4.34Å; L83-Y88 HydrophobicContact CB-CE2 3.68Å; L83-Y88 WeakPolarHBondContact CD1-OH 3.34Å; L83-R102 VanDerWaalsContact CD1-NH1 3.34Å; L83-E129 HydrophobicContact CB-CB 4.34Å; L83-E129 HydrophobicContact CB-CG 4.34Å; L83-E129 PolarHBondContact N-OE2 3.3Å
84S95.3Very high87.5Confident56 Ų5679.3 Ų79.339%0.39242%0.42SS..PPolyproline II helixtrans-77.4165.4-178.367.90000112.8T82 D86 F87 Y88T82-S84 PolarHBondContact O-N 2.89Å; S84-D86 PolarHBondContact O-N 3.24Å; S84-F87 WeakPolarHBondContact O-CB 3.05Å; S84-F87 PolarHBondContact O-N 3.02Å; S84-F87 PolarHBondContact OG-N 3.43Å; S84-Y88 VanDerWaalsContact O-CD2 3.26Å; S84-Y88 WeakPolarHBondContact O-CD2 3.23Å; S84-Y88 PolarHBondContact O-N 2.96Å
85E97.7Very high88Confident51 Ų5177.1 Ų77.124%0.23841%0.412CS..Hα-helixtrans-55.3-39.1172-7075-168.200112.2F87 Y88 I89 I128 F157 A160E85-F87 VanDerWaalsContact C-N 3.34Å; E85-F87 PolarHBondContact O-N 3.08Å; E85-Y88 PolarHBondContact O-N 3.14Å; E85-I89 WeakPolarHBondContact O-CD1 3.38Å; E85-I89 VanDerWaalsContact O-CG1 3.28Å; E85-I89 WeakPolarHBondContact O-CG1 3.4Å; E85-I89 PolarHBondContact O-N 3.28Å; E85-I128 HydrophobicContact CG-CB 4.32Å; E85-I128 HydrophobicContact CG-CG2 3.98Å; E85-F157 HydrophobicContact CG-CB 4.44Å; E85-A160 HydrophobicContact CB-CB 3.8Å; E85-A160 HydrophobicContact CG-CB 3.99Å
86D97.8Very high88.5Confident116 Ų11677.8 Ų77.862%0.6242%0.417SS*.Hα-helixtrans-65.9-35179.4-71.1-26.2000112.7S84 Y88 I89 N90S84-D86 PolarHBondContact O-N 3.24Å; D86-Y88 VanDerWaalsContact C-N 3.33Å; D86-I89 PolarHBondContact O-N 2.89Å; D86-N90 WeakPolarHBondContact O-CB 3.35Å; D86-N90 PolarHBondContact O-N 3.09Å
87F97.1Very high89.2Confident76 Ų7677.7 Ų77.733%0.33342%0.418SS..Hα-helixtrans-57.7-49.7172.3166.8-92.2000110.2L83 S84 E85 N90 A91L83-F87 HydrophobicContact CB-CD1 3.91Å; L83-F87 HydrophobicContact CB-CE1 4.44Å; L83-F87 HydrophobicContact CB-CG 4.36Å; L83-F87 HydrophobicContact CD1-CD1 4.1Å; L83-F87 HydrophobicContact CD1-CE1 3.77Å; L83-F87 HydrophobicContact CD1-CZ 4.27Å; L83-F87 HydrophobicContact CD2-CD1 4.01Å; L83-F87 HydrophobicContact CD2-CD2 4.1Å; L83-F87 HydrophobicContact CD2-CE1 4.14Å; L83-F87 HydrophobicContact CD2-CE2 4.21Å; L83-F87 HydrophobicContact CD2-CG 3.99Å; L83-F87 HydrophobicContact CD2-CZ 4.24Å; L83-F87 HydrophobicContact CG-CD1 4.23Å; L83-F87 HydrophobicContact CG-CE1 4.34Å; S84-F87 WeakPolarHBondContact O-CB 3.05Å; S84-F87 PolarHBondContact O-N 3.02Å; S84-F87 PolarHBondContact OG-N 3.43Å; E85-F87 VanDerWaalsContact C-N 3.34Å; E85-F87 PolarHBondContact O-N 3.08Å; F87-N90 PolarHBondContact O-N 3.33Å; F87-A91 HydrophobicContact CE1-CB 4.35Å; F87-A91 HydrophobicContact CZ-CB 4.31Å; F87-A91 VanDerWaalsContact O-CB 3.26Å; F87-A91 WeakPolarHBondContact O-CB 3.22Å; F87-A91 PolarHBondContact O-N 2.83Å
88Y98.1Very high90.3Very high0 Ų072 Ų720%040%0.396CS..Hα-helixtrans-65.3-45.8-179.1-73.1-73.3000111.9L83 S84 E85 D86 N90 A91 T92 Y98 I128 E129 E132 V164L83-Y88 HydrophobicContact CB-CE2 3.68Å; L83-Y88 WeakPolarHBondContact CD1-OH 3.34Å; S84-Y88 VanDerWaalsContact O-CD2 3.26Å; S84-Y88 WeakPolarHBondContact O-CD2 3.23Å; S84-Y88 PolarHBondContact O-N 2.96Å; E85-Y88 PolarHBondContact O-N 3.14Å; D86-Y88 VanDerWaalsContact C-N 3.33Å; Y88-N90 PolarHBondContact O-N 2.71Å; Y88-A91 PolarHBondContact O-N 3.07Å; Y88-T92 VanDerWaalsContact O-CG2 3.29Å; Y88-T92 WeakPolarHBondContact O-CG2 3.32Å; Y88-T92 PolarHBondContact O-N 3.47Å; Y88-T92 PolarHBondContact O-OG1 3.32Å; Y88-Y98 HydrophobicContact CD1-CE2 4.01Å; Y88-Y98 HydrophobicContact CE1-CE2 4.28Å; Y88-I128 HydrophobicContact CD2-CB 4.15Å; Y88-I128 HydrophobicContact CD2-CG1 3.38Å; Y88-I128 HydrophobicContact CD2-CG2 3.68Å; Y88-I128 HydrophobicContact CE2-CB 4.35Å; Y88-I128 HydrophobicContact CE2-CG1 3.85Å; Y88-I128 HydrophobicContact CE2-CG2 3.8Å; Y88-I128 HydrophobicContact CG-CG1 3.86Å; Y88-E129 HydrophobicContact CE2-CB 4.3Å; Y88-E129 WeakPolarHBondContact OH-CA 3.48Å; Y88-E132 HydrophobicContact CE1-CB 3.71Å; Y88-E132 HydrophobicContact CE1-CG 3.63Å; Y88-E132 PolarHBondContact OH-OE2 2.9Å; Y88-V164 HydrophobicContact CD1-CG2 3.82Å; Y88-V164 HydrophobicContact CG-CG2 4.19Å
89I98.3Very high91.8Very high18 Ų1868.7 Ų68.79%0.09237%0.371CS..Hα-helixtrans-57.1-35.4177-67.3161.5000111.7E85 D86 R159 A160 E163E85-I89 WeakPolarHBondContact O-CD1 3.38Å; E85-I89 VanDerWaalsContact O-CG1 3.28Å; E85-I89 WeakPolarHBondContact O-CG1 3.4Å; E85-I89 PolarHBondContact O-N 3.28Å; D86-I89 PolarHBondContact O-N 2.89Å; I89-R159 HydrophobicContact CD1-CB 4.24Å; I89-R159 HydrophobicContact CD1-CG 4.01Å; I89-R159 HydrophobicContact CG1-CG 4.15Å; I89-A160 HydrophobicContact CD1-CB 4.31Å; I89-A160 HydrophobicContact CG1-CB 4.01Å; I89-E163 HydrophobicContact CG1-CG 4.34Å
90N98.2Very high93.3Very high101 Ų10167.9 Ų67.954%0.5437%0.37SS..Hα-helixtrans-81.2-41.8178.2-168.860.1000112.7D86 F87 Y88 T92 K93D86-N90 WeakPolarHBondContact O-CB 3.35Å; D86-N90 PolarHBondContact O-N 3.09Å; F87-N90 PolarHBondContact O-N 3.33Å; Y88-N90 PolarHBondContact O-N 2.71Å; N90-T92 VanDerWaalsContact C-N 3.34Å; N90-T92 PolarHBondContact O-N 3.43Å; N90-K93 WeakPolarHBondContact O-CB 3.29Å; N90-K93 WeakPolarHBondContact O-CG 3.48Å; N90-K93 PolarHBondContact O-N 2.85Å; N90-K93 PolarHBondContact OD1-NZ 3.21Å
91A97.6Very high94.8Very high28 Ų2866.9 Ų66.923%0.23137%0.371CS..Hα-helixtrans-65.3-37.1-176.700000112.2F87 Y88 K93 Y98F87-A91 HydrophobicContact CE1-CB 4.35Å; F87-A91 HydrophobicContact CZ-CB 4.31Å; F87-A91 VanDerWaalsContact O-CB 3.26Å; F87-A91 WeakPolarHBondContact O-CB 3.22Å; F87-A91 PolarHBondContact O-N 2.83Å; Y88-A91 PolarHBondContact O-N 3.07Å; A91-K93 VanDerWaalsContact C-N 3.26Å; A91-K93 PolarHBondContact O-N 3.43Å; A91-Y98 HydrophobicContact CB-CD2 3.93Å
92T98.4Very high96.1Very high5 Ų563 Ų633%0.03134%0.343CS..THydrogen-bonded Turntrans-78.8-1.9-177.757.20000114.2Y88 N90 D94 C95 Y98 E163 V164Y88-T92 VanDerWaalsContact O-CG2 3.29Å; Y88-T92 WeakPolarHBondContact O-CG2 3.32Å; Y88-T92 PolarHBondContact O-N 3.47Å; Y88-T92 PolarHBondContact O-OG1 3.32Å; N90-T92 VanDerWaalsContact C-N 3.34Å; N90-T92 PolarHBondContact O-N 3.43Å; T92-D94 PolarHBondContact O-N 3.44Å; T92-C95 PolarHBondContact O-SG 3.32Å; T92-C95 VanDerWaalsContact O-SG 3.39Å; T92-Y98 HydrophobicContact CG2-CD1 4.01Å; T92-Y98 HydrophobicContact CG2-CD2 3.88Å; T92-Y98 HydrophobicContact CG2-CE1 4.07Å; T92-Y98 HydrophobicContact CG2-CE2 3.92Å; T92-Y98 HydrophobicContact CG2-CG 3.93Å; T92-E163 WeakPolarHBondContact CB-O 3.36Å; T92-E163 WeakPolarHBondContact CG2-O 3.43Å; T92-E163 VanDerWaalsContact OG1-CB 3.3Å; T92-E163 WeakPolarHBondContact OG1-CB 3.23Å; T92-V164 HydrophobicContact CG2-CG2 3.99Å
93K98.1Very high96.7Very high162 Ų16259.2 Ų59.270%0.70432%0.321SS*.THydrogen-bonded Turntrans-60-31.6171.5-71.4177.1-178.61640112.1N90 A91N90-K93 WeakPolarHBondContact O-CB 3.29Å; N90-K93 WeakPolarHBondContact O-CG 3.48Å; N90-K93 PolarHBondContact O-N 2.85Å; N90-K93 PolarHBondContact OD1-NZ 3.21Å; A91-K93 VanDerWaalsContact C-N 3.26Å; A91-K93 PolarHBondContact O-N 3.43Å
94D98.3Very high97Very high90 Ų9057.9 Ų57.948%0.48131%0.313SS..SBendtrans-113.492.9168.1-175.7-18.7000108T92 A96 A97 Y98T92-D94 PolarHBondContact O-N 3.44Å; D94-A96 VanDerWaalsContact C-N 3.26Å; D94-A96 PolarHBondContact O-N 3.07Å; D94-A96 PolarHBondContact OD1-N 3.43Å; D94-A96 VanDerWaalsContact OD1-N 3.16Å; D94-A97 HydrophobicContact CB-CB 3.96Å; D94-A97 VanDerWaalsContact CG-CB 3.44Å; D94-A97 PolarHBondContact O-N 3.3Å; D94-A97 PolarHBondContact OD1-N 2.89Å; D94-Y98 WeakPolarHBondContact O-CB 3.33Å; D94-Y98 PolarHBondContact O-N 3.25Å
95C98.4Very high96.9Very high40 Ų4056 Ų5627%0.2730%0.299SS..Hα-helixtrans-62.7-32.7-177.8-75.70000113T92 Y98 I99 C167T92-C95 PolarHBondContact O-SG 3.32Å; T92-C95 VanDerWaalsContact O-SG 3.39Å; C95-Y98 PolarHBondContact O-N 3.11Å; C95-I99 VanDerWaalsContact O-CB 3.27Å; C95-I99 WeakPolarHBondContact O-CB 3.15Å; C95-I99 WeakPolarHBondContact O-CD1 3.5Å; C95-I99 WeakPolarHBondContact O-CG1 3.32Å; C95-I99 PolarHBondContact O-N 2.97Å; C95-C167 WeakPolarHBondContact CA-SG 3.25Å; C95-C167 HydrophobicContact CB-CB 3.59Å; C95-C167 WeakPolarHBondContact CB-SG 3.2Å; C95-C167 WeakPolarHBondContact SG-CA 3.2Å; C95-C167 WeakPolarHBondContact SG-CB 3.15Å; C95-C167 CovalentContact SG-SG 2.05Å; C95-C167 PolarHBondContact SG-SG 2.89Å
96A97.4Very high96.8Very high69 Ų6956.9 Ų56.957%0.5731%0.308SS*.Hα-helixtrans-66.4-49.9178.600000110D94 Y98 I99 E100D94-A96 VanDerWaalsContact C-N 3.26Å; D94-A96 PolarHBondContact O-N 3.07Å; D94-A96 PolarHBondContact OD1-N 3.43Å; D94-A96 VanDerWaalsContact OD1-N 3.16Å; A96-Y98 VanDerWaalsContact C-N 3.35Å; A96-Y98 PolarHBondContact O-N 3.43Å; A96-I99 PolarHBondContact O-N 3.32Å; A96-E100 WeakPolarHBondContact O-CB 3.24Å; A96-E100 PolarHBondContact O-N 3.27Å
97A97.1Very high96.6Very high27 Ų2753.6 Ų53.622%0.22329%0.292CS..Hα-helixtrans-63.3-39.9175.900000112D94 E100 N101D94-A97 HydrophobicContact CB-CB 3.96Å; D94-A97 VanDerWaalsContact CG-CB 3.44Å; D94-A97 PolarHBondContact O-N 3.3Å; D94-A97 PolarHBondContact OD1-N 2.89Å; A97-E100 PolarHBondContact O-N 2.85Å; A97-N101 WeakPolarHBondContact O-CB 3.12Å; A97-N101 PolarHBondContact O-N 3.22Å; A97-N101 PolarHBondContact O-ND2 3.2Å
98Y97.7Very high96.6Very high4 Ų452.6 Ų52.62%0.01629%0.293CS..Hα-helixtrans-59.6-51.8176171.8-104.9000111.5Y88 A91 T92 D94 C95 A96 E100 R102 F104 E132 V164 C167 F168Y88-Y98 HydrophobicContact CD1-CE2 4.01Å; Y88-Y98 HydrophobicContact CE1-CE2 4.28Å; A91-Y98 HydrophobicContact CB-CD2 3.93Å; T92-Y98 HydrophobicContact CG2-CD1 4.01Å; T92-Y98 HydrophobicContact CG2-CD2 3.88Å; T92-Y98 HydrophobicContact CG2-CE1 4.07Å; T92-Y98 HydrophobicContact CG2-CE2 3.92Å; T92-Y98 HydrophobicContact CG2-CG 3.93Å; D94-Y98 WeakPolarHBondContact O-CB 3.33Å; D94-Y98 PolarHBondContact O-N 3.25Å; C95-Y98 PolarHBondContact O-N 3.11Å; A96-Y98 VanDerWaalsContact C-N 3.35Å; A96-Y98 PolarHBondContact O-N 3.43Å; Y98-E100 VanDerWaalsContact C-N 3.33Å; Y98-E100 PolarHBondContact O-N 3.47Å; Y98-R102 HydrophobicContact CD2-CG 3.59Å; Y98-R102 HydrophobicContact CE2-CG 3.43Å; Y98-R102 VanDerWaalsContact CE2-CG 3.43Å; Y98-R102 HydrophobicContact CG-CG 4.29Å; Y98-R102 WeakPolarHBondContact O-CB 3.13Å; Y98-R102 WeakPolarHBondContact O-CG 3.25Å; Y98-R102 PolarHBondContact O-N 3.46Å; Y98-F104 HydrophobicContact CE1-CE2 4.01Å; Y98-E132 VanDerWaalsContact OH-CG 3.24Å; Y98-E132 WeakPolarHBondContact OH-CG 3.34Å; Y98-V164 HydrophobicContact CE1-CG1 4.41Å; Y98-V164 WeakPolarHBondContact OH-CG1 3.27Å; Y98-C167 HydrophobicContact CD1-CB 4.25Å; Y98-F168 HydrophobicContact CE1-CE2 4.03Å; Y98-F168 HydrophobicContact CE1-CZ 4.05Å
99I97.2Very high96.4Very high30 Ų3055.3 Ų55.315%0.15431%0.307CS..Hα-helixtrans-58-46.5180-76170.8000111C95 A96 G103 F104 T106 C167 F168C95-I99 VanDerWaalsContact O-CB 3.27Å; C95-I99 WeakPolarHBondContact O-CB 3.15Å; C95-I99 WeakPolarHBondContact O-CD1 3.5Å; C95-I99 WeakPolarHBondContact O-CG1 3.32Å; C95-I99 PolarHBondContact O-N 2.97Å; A96-I99 PolarHBondContact O-N 3.32Å; I99-G103 PolarHBondContact O-N 3.18Å; I99-G103 VanDerWaalsContact O-N 3.11Å; I99-F104 HydrophobicContact CG2-CB 4.02Å; I99-F104 PolarHBondContact O-N 2.85Å; I99-T106 HydrophobicContact CG2-CG2 3.39Å; I99-C167 HydrophobicContact CD1-CB 4.37Å; I99-C167 WeakPolarHBondContact CD1-O 3.43Å; I99-F168 HydrophobicContact CD1-CD1 4.28Å; I99-F168 HydrophobicContact CD1-CE1 4Å; I99-F168 HydrophobicContact CG1-CD1 4.49Å; I99-F168 HydrophobicContact CG1-CE1 3.74Å; I99-F168 HydrophobicContact CG1-CZ 3.98Å
100E94.4Very high96.3Very high152 Ų15255.9 Ų55.971%0.7131%0.313SS*.Hα-helixtrans-65.8-55.2179.7-176.3174.1-165.400111.6A96 A97 Y98 R102 G103A96-E100 WeakPolarHBondContact O-CB 3.24Å; A96-E100 PolarHBondContact O-N 3.27Å; A97-E100 PolarHBondContact O-N 2.85Å; Y98-E100 VanDerWaalsContact C-N 3.33Å; Y98-E100 PolarHBondContact O-N 3.47Å; E100-R102 VanDerWaalsContact C-N 3.3Å; E100-R102 PolarHBondContact O-N 2.85Å; E100-G103 WeakPolarHBondContact O-CA 3.49Å; E100-G103 PolarHBondContact O-N 2.89Å
101N94Very high96.3Very high127 Ų12758.3 Ų58.368%0.67932%0.321SS*.Hα-helixtrans-64.5-34.1-176.4-69.9-31.6000112.8A97 G103A97-N101 WeakPolarHBondContact O-CB 3.12Å; A97-N101 PolarHBondContact O-N 3.22Å; A97-N101 PolarHBondContact O-ND2 3.2Å; N101-G103 VanDerWaalsContact C-N 3.29Å
102R94.4Very high96.3Very high42 Ų4259.8 Ų59.816%0.15832%0.324CS..Hα-helixtrans-80.9-12.5175.6-62-51.8-62.9-177.5-7112.5L83 Y98 E100 F104 E132 R136L83-R102 VanDerWaalsContact CD1-NH1 3.34Å; Y98-R102 HydrophobicContact CD2-CG 3.59Å; Y98-R102 HydrophobicContact CE2-CG 3.43Å; Y98-R102 VanDerWaalsContact CE2-CG 3.43Å; Y98-R102 HydrophobicContact CG-CG 4.29Å; Y98-R102 WeakPolarHBondContact O-CB 3.13Å; Y98-R102 WeakPolarHBondContact O-CG 3.25Å; Y98-R102 PolarHBondContact O-N 3.46Å; E100-R102 VanDerWaalsContact C-N 3.3Å; E100-R102 PolarHBondContact O-N 2.85Å; R102-F104 HydrophobicContact CB-CD2 3.76Å; R102-F104 HydrophobicContact CB-CE2 3.68Å; R102-F104 HydrophobicContact CG-CE2 4.47Å; R102-E132 WeakPolarHBondContact CB-OE1 3.41Å; R102-E132 IonicContact CZ-OE1 2.68Å; R102-E132 IonicContact CZ-OE2 2.74Å; R102-E132 IonicContact NE-OE1 4Å; R102-E132 PolarHBondContact NE-OE1 3.12Å; R102-E132 IonicContact NE-OE2 3.61Å; R102-E132 IonicContact NH2-OE1 3.43Å; R102-E132 PolarHBondContact NH2-OE1 3.39Å; R102-E132 IonicContact NH2-OE2 2.76Å; R102-E132 PolarHBondContact NH2-OE2 3.4Å; R102-R136 WeakPolarHBondContact O-CD 3.4Å; R102-R136 PolarHBondContact O-NH1 2.94Å
103G94.3Very high96.3Very high6 Ų660 Ų606%0.06232%0.324CS..THydrogen-bonded Turntrans74.941.4174.900000113.3I99 E100 N101 R413I99-G103 PolarHBondContact O-N 3.18Å; I99-G103 VanDerWaalsContact O-N 3.11Å; E100-G103 WeakPolarHBondContact O-CA 3.49Å; E100-G103 PolarHBondContact O-N 2.89Å; N101-G103 VanDerWaalsContact C-N 3.29Å; G103-R413 PolarHBondContact O-NH1 3.11Å; G103-R413 PolarHBondContact O-NH2 3.45Å
104F96.4Very high96.3Very high15 Ų1556.3 Ų56.37%0.06631%0.311CS..  trans-72.1144.1172.8-80.6-97.6000111.4Y98 I99 R102 T106 E132 L135 R136 Y139 F168Y98-F104 HydrophobicContact CE1-CE2 4.01Å; I99-F104 HydrophobicContact CG2-CB 4.02Å; I99-F104 PolarHBondContact O-N 2.85Å; R102-F104 HydrophobicContact CB-CD2 3.76Å; R102-F104 HydrophobicContact CB-CE2 3.68Å; R102-F104 HydrophobicContact CG-CE2 4.47Å; F104-T106 HydrophobicContact CB-CG2 4.49Å; F104-T106 PolarHBondContact O-N 3.45Å; F104-E132 HydrophobicContact CE2-CG 4.43Å; F104-E132 HydrophobicContact CZ-CG 4.21Å; F104-L135 HydrophobicContact CE1-CD2 4.33Å; F104-L135 HydrophobicContact CE1-CG 4.1Å; F104-R136 HydrophobicContact CD1-CB 4.24Å; F104-R136 HydrophobicContact CD1-CG 4.42Å; F104-R136 HydrophobicContact CD2-CG 4.44Å; F104-R136 HydrophobicContact CE1-CB 3.75Å; F104-R136 HydrophobicContact CE1-CG 4.38Å; F104-R136 HydrophobicContact CE2-CB 4.16Å; F104-R136 HydrophobicContact CE2-CG 4.39Å; F104-R136 HydrophobicContact CG-CG 4.45Å; F104-R136 HydrophobicContact CZ-CB 3.7Å; F104-R136 HydrophobicContact CZ-CG 4.36Å; F104-Y139 HydrophobicContact CD1-CD1 4.04Å; F104-Y139 AromaticContact CD1-CG 3.94Å; F104-Y139 HydrophobicContact CD1-CG 3.94Å; F104-Y139 HydrophobicContact CE1-CG 4.48Å; F104-F168 HydrophobicContact CB-CE1 4.12Å; F104-F168 HydrophobicContact CB-CZ 4.48Å; F104-F168 AromaticContact CD1-CE1 3.47Å; F104-F168 HydrophobicContact CD1-CE1 3.47Å; F104-F168 VanDerWaalsContact CD1-CE1 3.47Å; F104-F168 HydrophobicContact CD1-CE2 4.46Å; F104-F168 AromaticContact CD1-CZ 3.4Å; F104-F168 HydrophobicContact CD1-CZ 3.4Å; F104-F168 HydrophobicContact CD2-CE1 4.32Å; F104-F168 AromaticContact CD2-CZ 3.84Å; F104-F168 HydrophobicContact CD2-CZ 3.84Å; F104-F168 AromaticContact CE1-CE1 3.88Å; F104-F168 HydrophobicContact CE1-CE1 3.88Å; F104-F168 HydrophobicContact CE1-CE2 4.05Å; F104-F168 AromaticContact CE1-CZ 3.35Å; F104-F168 HydrophobicContact CE1-CZ 3.35Å; F104-F168 AromaticContact CE2-CZ 3.81Å; F104-F168 HydrophobicContact CE2-CZ 3.81Å; F104-F168 AromaticContact CG-CE1 3.71Å; F104-F168 HydrophobicContact CG-CE1 3.71Å; F104-F168 AromaticContact CG-CZ 3.64Å; F104-F168 HydrophobicContact CG-CZ 3.64Å; F104-F168 HydrophobicContact CZ-CE1 4.47Å; F104-F168 HydrophobicContact CZ-CE2 4.13Å; F104-F168 AromaticContact CZ-CZ 3.57Å; F104-F168 HydrophobicContact CZ-CZ 3.57Å
105V94.8Very high96.3Very high17 Ų1756.8 Ų56.810%0.10331%0.314CS..  trans-89.8102.1176.6-177.50000109.1F42 V107 L109 Y139F42-V105 HydrophobicContact CD2-CG1 4.2Å; F42-V105 HydrophobicContact CE2-CB 4.3Å; F42-V105 HydrophobicContact CE2-CG1 3.78Å; F42-V105 HydrophobicContact CE2-CG2 3.55Å; F42-V105 HydrophobicContact CZ-CG2 4.2Å; V105-V107 WeakPolarHBondContact CG1-O 3.25Å; V105-L109 HydrophobicContact CG1-CD1 4.16Å; V105-L109 HydrophobicContact CG1-CD2 3.74Å; V105-L109 HydrophobicContact CG1-CG 3.97Å; V105-Y139 WeakPolarHBondContact O-CD1 3.43Å; V105-Y139 VanDerWaalsContact O-CE1 3.25Å; V105-Y139 WeakPolarHBondContact O-CE1 3.46Å
106T94.2Very high96.3Very high69 Ų6956 Ų5642%0.42331%0.306SS..  trans-99.34.1-17453.10000114.8I99 F104 Y139 P141I99-T106 HydrophobicContact CG2-CG2 3.39Å; F104-T106 HydrophobicContact CB-CG2 4.49Å; F104-T106 PolarHBondContact O-N 3.45Å; T106-Y139 HydrophobicContact CG2-CE1 4.31Å; T106-P141 WeakPolarHBondContact O-CB 3.27Å; T106-P141 WeakPolarHBondContact O-CG 3.36Å
107V94.8Very high96.4Very high47 Ų4753.6 Ų53.629%0.28529%0.285SS..SBendtrans-122.1143.6174.9-62.50000110.6V105 L109V105-V107 WeakPolarHBondContact CG1-O 3.25Å; V107-L109 HydrophobicContact CG2-CD2 4.5Å; V107-L109 PolarHBondContact O-N 3.41Å
108P96Very high96.5Very high55 Ų5552.3 Ų52.336%0.35727%0.274SS..  trans-61.2133.4171.2-17.829.9000110.4L114 P141P108-L114 HydrophobicContact CB-CB 4.07Å; P108-L114 HydrophobicContact CB-CD1 4.35Å; P108-L114 HydrophobicContact CG-CB 4.48Å; P108-L114 HydrophobicContact CG-CD1 3.86Å; P108-P141 HydrophobicContact CG-CG 3.92Å
109L95.5Very high96.5Very high57 Ų5752.1 Ų52.130%0.29827%0.273SS..SBendtrans-86.3-14.1-177.7-58.1-176.8000113.7F42 V105 V107 A416F42-L109 HydrophobicContact CD2-CD1 4.42Å; F42-L109 HydrophobicContact CD2-CD2 3.35Å; F42-L109 HydrophobicContact CE2-CD1 3.83Å; F42-L109 HydrophobicContact CE2-CD2 3.58Å; F42-L109 HydrophobicContact CE2-CG 4.34Å; F42-L109 HydrophobicContact CG-CD2 4.17Å; F42-L109 HydrophobicContact CZ-CD1 4.27Å; V105-L109 HydrophobicContact CG1-CD1 4.16Å; V105-L109 HydrophobicContact CG1-CD2 3.74Å; V105-L109 HydrophobicContact CG1-CG 3.97Å; V107-L109 HydrophobicContact CG2-CD2 4.5Å; V107-L109 PolarHBondContact O-N 3.41Å; L109-A416 HydrophobicContact CD1-CB 3.86Å
110S96.1Very high96.6Very high31 Ų3150.7 Ų50.722%0.21727%0.266CS..  trans-156.6156.3173.165.80000111.7E112 E113 L114S110-E112 PolarHBondContact O-N 3.49Å; S110-E113 WeakPolarHBondContact CB-OE2 3.17Å; S110-E113 PolarHBondContact N-OE2 3.5Å; S110-E113 PolarHBondContact O-N 3.03Å; S110-E113 WeakPolarHBondContact OG-CB 3.31Å; S110-E113 WeakPolarHBondContact OG-CG 3.42Å; S110-E113 PolarHBondContact OG-N 3.26Å; S110-E113 PolarHBondContact OG-OE2 3.39Å; S110-L114 PolarHBondContact O-N 3.46Å
111E97.4Very high96.8Very high151 Ų15143.4 Ų43.471%0.70623%0.232SC*.Hα-helixtrans-61.4-34.5172.9-178179.2-171.200111.8E113 L114 N115E111-E113 VanDerWaalsContact C-N 3.34Å; E111-E113 PolarHBondContact O-N 3.35Å; E111-L114 PolarHBondContact O-N 2.97Å; E111-N115 VanDerWaalsContact CG-ND2 3.31Å; E111-N115 WeakPolarHBondContact CG-ND2 3.45Å; E111-N115 WeakPolarHBondContact O-CB 3.36Å; E111-N115 PolarHBondContact O-N 2.77Å; E111-N115 PolarHBondContact O-ND2 2.88Å
112E97.6Very high97.1Very high60 Ų6037.4 Ų37.428%0.2820%0.2SC..Hα-helixtrans-59.8-45.1175.5162.3158.3-124.400111.8S110 F116 V225 M226 K229S110-E112 PolarHBondContact O-N 3.49Å; E112-F116 PolarHBondContact O-N 3.27Å; E112-V225 HydrophobicContact CG-CG1 3.83Å; E112-M226 WeakPolarHBondContact OE2-CE 3.24Å; E112-K229 IonicContact OE1-NZ 2.69Å; E112-K229 PolarHBondContact OE1-NZ 2.8Å
113E98.2Very high97.3Very high9 Ų936 Ų364%0.04220%0.196CC..Hα-helixtrans-71.3-40.2178.1-71169.294.200112S110 E111 N115 F116 Q142 N221 R222 V225S110-E113 WeakPolarHBondContact CB-OE2 3.17Å; S110-E113 PolarHBondContact N-OE2 3.5Å; S110-E113 PolarHBondContact O-N 3.03Å; S110-E113 WeakPolarHBondContact OG-CB 3.31Å; S110-E113 WeakPolarHBondContact OG-CG 3.42Å; S110-E113 PolarHBondContact OG-N 3.26Å; S110-E113 PolarHBondContact OG-OE2 3.39Å; E111-E113 VanDerWaalsContact C-N 3.34Å; E111-E113 PolarHBondContact O-N 3.35Å; E113-N115 VanDerWaalsContact C-N 3.26Å; E113-N115 PolarHBondContact O-N 3.43Å; E113-F116 PolarHBondContact O-N 3.24Å; E113-Q142 WeakPolarHBondContact O-CG 3.45Å; E113-Q142 PolarHBondContact O-NE2 3.38Å; E113-N221 WeakPolarHBondContact CG-ND2 3.41Å; E113-N221 WeakPolarHBondContact OE1-CB 3.1Å; E113-N221 PolarHBondContact OE1-ND2 3.48Å; E113-R222 HydrophobicContact CG-CB 4.04Å; E113-R222 HydrophobicContact CG-CG 4.36Å; E113-R222 PolarHBondContact OE1-N 2.8Å; E113-R222 VanDerWaalsContact OE1-N 3.09Å; E113-V225 HydrophobicContact CG-CG2 4.22Å
114L98.3Very high97.5Very high84 Ų8435.8 Ų35.844%0.4419%0.194SC..Hα-helixtrans-56.1-42.1175.8178.257.4000111.6P108 S110 E111 F116 Q142P108-L114 HydrophobicContact CB-CB 4.07Å; P108-L114 HydrophobicContact CB-CD1 4.35Å; P108-L114 HydrophobicContact CG-CB 4.48Å; P108-L114 HydrophobicContact CG-CD1 3.86Å; S110-L114 PolarHBondContact O-N 3.46Å; E111-L114 PolarHBondContact O-N 2.97Å; L114-F116 VanDerWaalsContact C-N 3.31Å; L114-F116 PolarHBondContact O-N 3.24Å; L114-Q142 HydrophobicContact CD1-CB 3.89Å
115N98.4Very high97.5Very high101 Ų10139.9 Ų39.954%0.5421%0.212SC..THydrogen-bonded Turntrans-84.81-176.9-71.9-45.1000114.4E111 E113E111-N115 VanDerWaalsContact CG-ND2 3.31Å; E111-N115 WeakPolarHBondContact CG-ND2 3.45Å; E111-N115 WeakPolarHBondContact O-CB 3.36Å; E111-N115 PolarHBondContact O-N 2.77Å; E111-N115 PolarHBondContact O-ND2 2.88Å; E113-N115 VanDerWaalsContact C-N 3.26Å; E113-N115 PolarHBondContact O-N 3.43Å
116F98.8Very high97.6Very high23 Ų2343.8 Ų43.810%0.10123%0.23CC..SBendtrans-130.468.3177.9-156.2-84.8000112.6E112 E113 L114 I118 K206 Y207 V225 L228 K229E112-F116 PolarHBondContact O-N 3.27Å; E113-F116 PolarHBondContact O-N 3.24Å; L114-F116 VanDerWaalsContact C-N 3.31Å; L114-F116 PolarHBondContact O-N 3.24Å; F116-I118 PolarHBondContact O-N 2.78Å; F116-K206 HydrophobicContact CD1-CB 4.26Å; F116-K206 HydrophobicContact CD1-CG 4.19Å; F116-K206 HydrophobicContact CD2-CG 3.98Å; F116-K206 HydrophobicContact CE1-CB 3.84Å; F116-K206 HydrophobicContact CE1-CG 4.19Å; F116-K206 HydrophobicContact CE2-CB 4.18Å; F116-K206 HydrophobicContact CE2-CG 3.99Å; F116-K206 HydrophobicContact CG-CG 4.09Å; F116-K206 HydrophobicContact CZ-CB 3.81Å; F116-K206 HydrophobicContact CZ-CG 4.11Å; F116-Y207 AromaticContact CE1-CD2 3.98Å; F116-Y207 HydrophobicContact CE1-CD2 3.98Å; F116-Y207 AromaticContact CZ-CD2 3.83Å; F116-Y207 HydrophobicContact CZ-CD2 3.83Å; F116-Y207 HydrophobicContact CZ-CE2 4.02Å; F116-V225 HydrophobicContact CB-CG1 3.62Å; F116-V225 HydrophobicContact CB-CG2 4.16Å; F116-V225 HydrophobicContact CD1-CB 4.32Å; F116-V225 HydrophobicContact CD1-CG1 3.98Å; F116-V225 HydrophobicContact CD1-CG2 4.06Å; F116-V225 HydrophobicContact CG-CG1 3.83Å; F116-V225 HydrophobicContact CG-CG2 4.49Å; F116-L228 HydrophobicContact CE1-CB 3.59Å; F116-L228 HydrophobicContact CE1-CD1 4.17Å; F116-L228 HydrophobicContact CZ-CB 3.94Å; F116-K229 HydrophobicContact CD2-CD 4.36Å; F116-K229 HydrophobicContact CD2-CG 3.72Å; F116-K229 HydrophobicContact CE2-CG 3.46Å; F116-K229 VanDerWaalsContact CE2-CG 3.46Å; F116-K229 HydrophobicContact CG-CG 4.43Å; F116-K229 HydrophobicContact CZ-CG 3.98Å
117P98.8Very high97.7Very high18 Ų1842.9 Ų42.912%0.11722%0.22CC..  trans-64.2137.6-178.9-22.734.8000113.1Q142 V203 W205 K206P117-Q142 VanDerWaalsContact CB-O 3.32Å; P117-Q142 WeakPolarHBondContact CB-O 3.39Å; P117-V203 HydrophobicContact CB-CG1 3.88Å; P117-V203 HydrophobicContact CG-CG1 4.44Å; P117-W205 HydrophobicContact CB-CB 4.28Å; P117-W205 CarbonylContact O-C 3.56Å; P117-W205 VanDerWaalsContact O-CA 3.29Å; P117-W205 WeakPolarHBondContact O-CA 3.46Å; P117-K206 PolarHBondContact O-N 3.3Å
118I98.9Very high97.8Very high0 Ų040.8 Ų40.80%021%0.207CC..EExtended strand (participates in β ladder)trans-107139.7176-56.1173.6000109F116 Y120 N143 I144 L209 M224 V225 L228F116-I118 PolarHBondContact O-N 2.78Å; I118-Y120 HydrophobicContact CB-CE2 3.93Å; I118-Y120 HydrophobicContact CG2-CD2 4.18Å; I118-Y120 HydrophobicContact CG2-CE1 4.27Å; I118-Y120 HydrophobicContact CG2-CE2 3.57Å; I118-N143 PolarHBondContact N-OD1 2.75Å; I118-N143 WeakPolarHBondContact O-CA 3.35Å; I118-N143 VanDerWaalsContact O-CB 3.25Å; I118-N143 WeakPolarHBondContact O-CB 3.2Å; I118-I144 PolarHBondContact O-N 2.97Å; I118-L209 HydrophobicContact CG2-CD1 3.68Å; I118-M224 HydrophobicContact CD1-CB 4.02Å; I118-V225 HydrophobicContact CD1-CG2 4.02Å; I118-L228 HydrophobicContact CD1-CD1 3.61Å; I118-L228 HydrophobicContact CG1-CD1 3.88Å
119A98.9Very high97.8Very high0 Ų039.6 Ų39.60%020%0.197CC..EExtended strand (participates in β ladder)trans-100.7144.8170.100000111.1I144 L198 W205 Y207 L208 L209A119-I144 CarbonylContact C-O 3.58Å; A119-I144 VanDerWaalsContact CA-O 3.26Å; A119-I144 WeakPolarHBondContact CA-O 3.32Å; A119-I144 HydrophobicContact CB-CG2 3.71Å; A119-L198 HydrophobicContact CB-CD1 4.21Å; A119-L198 HydrophobicContact CB-CD2 4.1Å; A119-W205 HydrophobicContact CB-CB 3.98Å; A119-W205 HydrophobicContact CB-CD2 3.49Å; A119-W205 VanDerWaalsContact CB-CD2 3.49Å; A119-W205 HydrophobicContact CB-CE3 3.76Å; A119-W205 HydrophobicContact CB-CG 3.59Å; A119-W205 HydrophobicContact CB-CZ3 4.4Å; A119-Y207 PolarHBondContact N-O 2.89Å; A119-L208 HydrophobicContact CB-CB 4.46Å; A119-L208 HydrophobicContact CB-CD1 3.97Å; A119-L208 WeakPolarHBondContact O-CA 3.38Å; A119-L208 WeakPolarHBondContact O-CD1 3.42Å; A119-L209 PolarHBondContact O-N 3.11Å
120Y98.9Very high97.8Very high0 Ų037 Ų370%018%0.183CC..EExtended strand (participates in β ladder)trans-124.2136.8176.2-66-87.7000111.8I118 I138 I144 Y145 C146 L209 M224 F392I118-Y120 HydrophobicContact CB-CE2 3.93Å; I118-Y120 HydrophobicContact CG2-CD2 4.18Å; I118-Y120 HydrophobicContact CG2-CE1 4.27Å; I118-Y120 HydrophobicContact CG2-CE2 3.57Å; Y120-I138 HydrophobicContact CD1-CD1 3.87Å; Y120-I138 HydrophobicContact CD2-CD1 4.43Å; Y120-I138 HydrophobicContact CE1-CD1 4.08Å; Y120-I138 HydrophobicContact CG-CD1 4.05Å; Y120-I144 PolarHBondContact N-O 2.86Å; Y120-Y145 AromaticContact CD2-CD1 3.5Å; Y120-Y145 HydrophobicContact CD2-CD1 3.5Å; Y120-Y145 VanDerWaalsContact CD2-CD1 3.5Å; Y120-Y145 AromaticContact CD2-CE1 3.17Å; Y120-Y145 HydrophobicContact CD2-CE1 3.17Å; Y120-Y145 HydrophobicContact CD2-CG 4.47Å; Y120-Y145 AromaticContact CD2-CZ 3.95Å; Y120-Y145 HydrophobicContact CE2-CD1 4.37Å; Y120-Y145 AromaticContact CE2-CE1 3.6Å; Y120-Y145 HydrophobicContact CE2-CE1 3.6Å; Y120-Y145 AromaticContact CG-CD1 3.88Å; Y120-Y145 HydrophobicContact CG-CD1 3.88Å; Y120-Y145 AromaticContact CG-CE1 3.91Å; Y120-Y145 HydrophobicContact CG-CE1 3.91Å; Y120-C146 PolarHBondContact O-N 2.96Å; Y120-L209 VanDerWaalsContact CA-O 3.29Å; Y120-L209 WeakPolarHBondContact CA-O 3.36Å; Y120-L209 HydrophobicContact CD1-CB 4Å; Y120-L209 HydrophobicContact CE1-CB 3.97Å; Y120-L209 HydrophobicContact CE1-CD2 4.16Å; Y120-M224 PolarHBondContact OH-SD 2.95Å; Y120-M224 VanDerWaalsContact OH-SD 3.38Å; Y120-F392 HydrophobicContact CD1-CZ 4.47Å; Y120-F392 HydrophobicContact CE1-CE2 4.08Å; Y120-F392 AromaticContact CE1-CZ 3.72Å; Y120-F392 HydrophobicContact CE1-CZ 3.72Å
121S98.9Very high97.9Very high0 Ų035.5 Ų35.50%017%0.173CC..EExtended strand (participates in β ladder)trans-110.2107.8167.4177.30000108.4D191 C194 L209 N210 T211S121-D191 WeakPolarHBondContact CB-OD1 3.19Å; S121-D191 PolarHBondContact OG-OD1 2.91Å; S121-C194 VanDerWaalsContact OG-CB 3.24Å; S121-C194 WeakPolarHBondContact OG-CB 3.24Å; S121-L209 PolarHBondContact N-O 3.32Å; S121-L209 VanDerWaalsContact N-O 3.1Å; S121-N210 CarbonylContact O-C 3.55Å; S121-N210 VanDerWaalsContact O-CA 3.24Å; S121-N210 WeakPolarHBondContact O-CA 3.41Å; S121-T211 PolarHBondContact O-N 2.96Å
122M98.9Very high98Very high0 Ų028.3 Ų28.30%014%0.139CC..EExtended strand (participates in β ladder)trans-107.3105.8-173.2-54.7-17969.400109.9F131 L134 L135 I138 Y145 C146 V147 H148 T211M122-F131 HydrophobicContact CE-CD2 3.99Å; M122-F131 HydrophobicContact CE-CE2 3.9Å; M122-F131 HydrophobicContact SD-CE2 4.3Å; M122-L134 HydrophobicContact CE-CB 4.47Å; M122-L134 HydrophobicContact CE-CD2 3.7Å; M122-L134 HydrophobicContact CE-CG 3.76Å; M122-L135 HydrophobicContact CE-CB 4.33Å; M122-L135 HydrophobicContact SD-CD1 4.08Å; M122-I138 HydrophobicContact CE-CD1 4.22Å; M122-I138 HydrophobicContact SD-CD1 4.25Å; M122-Y145 HydrophobicContact SD-CD1 4.34Å; M122-C146 PolarHBondContact N-O 3.45Å; M122-V147 HydrophobicContact CB-CG2 4.48Å; M122-V147 HydrophobicContact SD-CG2 4.35Å; M122-H148 PolarHBondContact O-N 3.06Å; M122-T211 WeakPolarHBondContact CG-OG1 3.35Å
123V98.8Very high98Very high14 Ų1425.8 Ų25.89%0.08513%0.127CC..EExtended strand (participates in β ladder)trans-96.6111.7179.7-1740000110.1H148 A190 T211 C212 G213V123-H148 HydrophobicContact CG2-CB 4.31Å; V123-A190 HydrophobicContact CG1-CB 4.1Å; V123-A190 HydrophobicContact CG2-CB 4.1Å; V123-T211 PolarHBondContact N-O 3.08Å; V123-C212 VanDerWaalsContact O-CA 3.3Å; V123-C212 WeakPolarHBondContact O-CA 3.25Å; V123-G213 PolarHBondContact O-N 2.85Å
124I98.5Very high98Very high1 Ų125.3 Ų25.31%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-129.5154.7-172.965.1175.9000111.9F131 V147 H148 D150 F157 V161I124-F131 HydrophobicContact CD1-CB 4.16Å; I124-F131 HydrophobicContact CD1-CD1 4.26Å; I124-F131 HydrophobicContact CD1-CD2 3.56Å; I124-F131 HydrophobicContact CD1-CE2 3.97Å; I124-F131 HydrophobicContact CD1-CG 3.7Å; I124-F131 HydrophobicContact CD1-CZ 4.47Å; I124-F131 HydrophobicContact CG2-CD2 4.16Å; I124-V147 HydrophobicContact CD1-CG1 3.5Å; I124-V147 HydrophobicContact CG1-CG1 3.95Å; I124-H148 PolarHBondContact N-O 3.2Å; I124-D150 PolarHBondContact O-N 3.03Å; I124-F157 HydrophobicContact CB-CZ 4.38Å; I124-F157 HydrophobicContact CD1-CE1 4.18Å; I124-F157 HydrophobicContact CD1-CZ 3.94Å; I124-F157 HydrophobicContact CG1-CE1 4.16Å; I124-F157 HydrophobicContact CG1-CZ 4.17Å; I124-V161 HydrophobicContact CD1-CG1 4.03Å; I124-V161 HydrophobicContact CD1-CG2 3.73Å
125H97.9Very high98Very high100 Ų10021.3 Ų21.346%0.46310%0.104SC..  trans-144.2-13.3178.768.5-73.9000115.1D150 S153H125-D150 HydrophobicContact CB-CB 3.64Å; H125-S153 VanDerWaalsContact C-OG 3.24Å; H125-S153 WeakPolarHBondContact CA-OG 3.4Å; H125-S153 WeakPolarHBondContact O-CB 3.45Å; H125-S153 PolarHBondContact O-OG 3.09Å
126E96.1Very high98Very high100 Ų10017.6 Ų17.647%0.4678%0.082SC..SBendtrans-162.8-178.7-179.861.1178.3-158.500110.4F157E126-F157 WeakPolarHBondContact O-CE2 3.46Å; E126-F157 WeakPolarHBondContact O-CZ 3.44Å
127K95.2Very high98Very high50 Ų5018.1 Ų18.122%0.2179%0.089CC..  trans57.471.2175.5-63.5-174.2176.1-152.70112.8E129 M130 F131 D397 E399K127-E129 PolarHBondContact O-N 2.7Å; K127-M130 HydrophobicContact CB-CB 4.11Å; K127-M130 HydrophobicContact CB-CG 4.39Å; K127-M130 PolarHBondContact O-N 2.91Å; K127-F131 PolarHBondContact O-N 3.27Å; K127-D397 IonicContact NZ-OD1 3.19Å; K127-D397 PolarHBondContact NZ-OD1 2.95Å; K127-D397 IonicContact NZ-OD2 3.36Å; K127-D397 PolarHBondContact NZ-OD2 2.98Å; K127-E399 IonicContact NZ-OE1 3.94Å; K127-E399 IonicContact NZ-OE2 2.73Å; K127-E399 PolarHBondContact NZ-OE2 3.13Å
128I97.4Very high98Very high3 Ų317.5 Ų17.52%0.0159%0.085CC..Hα-helixtrans-54.5-37.6-176.4-17766.2000112.9E85 Y88 M130 F131 E132 F157 A160 V161E85-I128 HydrophobicContact CG-CB 4.32Å; E85-I128 HydrophobicContact CG-CG2 3.98Å; Y88-I128 HydrophobicContact CD2-CB 4.15Å; Y88-I128 HydrophobicContact CD2-CG1 3.38Å; Y88-I128 HydrophobicContact CD2-CG2 3.68Å; Y88-I128 HydrophobicContact CE2-CB 4.35Å; Y88-I128 HydrophobicContact CE2-CG1 3.85Å; Y88-I128 HydrophobicContact CE2-CG2 3.8Å; Y88-I128 HydrophobicContact CG-CG1 3.86Å; I128-M130 VanDerWaalsContact C-N 3.35Å; I128-M130 PolarHBondContact O-N 2.91Å; I128-F131 HydrophobicContact CD1-CD1 3.94Å; I128-F131 WeakPolarHBondContact O-CB 3.26Å; I128-F131 PolarHBondContact O-N 3Å; I128-E132 PolarHBondContact O-N 3.01Å; I128-F157 HydrophobicContact CB-CD2 4.12Å; I128-F157 HydrophobicContact CB-CE2 4.03Å; I128-F157 HydrophobicContact CD1-CE2 4.41Å; I128-A160 HydrophobicContact CD1-CB 3.85Å; I128-A160 HydrophobicContact CG1-CB 3.94Å; I128-V161 HydrophobicContact CD1-CG2 3.68Å
129E95.8Very high98Very high29 Ų2918.3 Ų18.314%0.1369%0.088CC..Hα-helixtrans-62.9-39.5176.3-177.6176.2-169.600112.8T82 L83 Y88 K127 F131 E132 R133T82-E129 WeakPolarHBondContact CA-OE2 3.45Å; T82-E129 WeakPolarHBondContact CB-OE2 3.39Å; L83-E129 HydrophobicContact CB-CB 4.34Å; L83-E129 HydrophobicContact CB-CG 4.34Å; L83-E129 PolarHBondContact N-OE2 3.3Å; Y88-E129 HydrophobicContact CE2-CB 4.3Å; Y88-E129 WeakPolarHBondContact OH-CA 3.48Å; K127-E129 PolarHBondContact O-N 2.7Å; E129-F131 VanDerWaalsContact C-N 3.34Å; E129-E132 PolarHBondContact O-N 3.33Å; E129-R133 HydrophobicContact CG-CG 4.39Å; E129-R133 WeakPolarHBondContact O-CB 3.25Å; E129-R133 VanDerWaalsContact O-CG 3.25Å; E129-R133 WeakPolarHBondContact O-CG 3Å; E129-R133 PolarHBondContact O-N 2.04Å
130M96.6Very high97.9Very high2 Ų218.6 Ų18.61%0.019%0.09CC..Hα-helixtrans-68.1-36176-80.6-56.4-67.100112.5K127 I128 L134 F216 F396 P398 I405K127-M130 HydrophobicContact CB-CB 4.11Å; K127-M130 HydrophobicContact CB-CG 4.39Å; K127-M130 PolarHBondContact O-N 2.91Å; I128-M130 VanDerWaalsContact C-N 3.35Å; I128-M130 PolarHBondContact O-N 2.91Å; M130-L134 VanDerWaalsContact O-CB 3.27Å; M130-L134 WeakPolarHBondContact O-CB 3.17Å; M130-L134 PolarHBondContact O-N 3.17Å; M130-F216 HydrophobicContact CE-CD2 4.42Å; M130-F396 HydrophobicContact CE-CB 4.07Å; M130-P398 HydrophobicContact CG-CG 3.91Å; M130-P398 WeakPolarHBondContact SD-CD 3.42Å; M130-P398 HydrophobicContact SD-CG 3.98Å; M130-I405 HydrophobicContact CE-CD1 3.98Å; M130-I405 HydrophobicContact SD-CD1 3.63Å
131F98.4Very high97.9Very high1 Ų120.4 Ų20.40%0.00410%0.102CC..Hα-helixtrans-60.6-48.5171.6164.9-111.2000111.4M122 I124 K127 I128 E129 L134 L135 V147 V161 V164 V165M122-F131 HydrophobicContact CE-CD2 3.99Å; M122-F131 HydrophobicContact CE-CE2 3.9Å; M122-F131 HydrophobicContact SD-CE2 4.3Å; I124-F131 HydrophobicContact CD1-CB 4.16Å; I124-F131 HydrophobicContact CD1-CD1 4.26Å; I124-F131 HydrophobicContact CD1-CD2 3.56Å; I124-F131 HydrophobicContact CD1-CE2 3.97Å; I124-F131 HydrophobicContact CD1-CG 3.7Å; I124-F131 HydrophobicContact CD1-CZ 4.47Å; I124-F131 HydrophobicContact CG2-CD2 4.16Å; K127-F131 PolarHBondContact O-N 3.27Å; I128-F131 HydrophobicContact CD1-CD1 3.94Å; I128-F131 WeakPolarHBondContact O-CB 3.26Å; I128-F131 PolarHBondContact O-N 3Å; E129-F131 VanDerWaalsContact C-N 3.34Å; F131-L134 PolarHBondContact O-N 3.41Å; F131-L135 HydrophobicContact CE1-CD2 4.46Å; F131-L135 HydrophobicContact CE2-CB 4.46Å; F131-L135 HydrophobicContact CE2-CD2 4.5Å; F131-L135 HydrophobicContact CZ-CD2 3.98Å; F131-L135 WeakPolarHBondContact O-CB 3.32Å; F131-L135 PolarHBondContact O-N 2.76Å; F131-V147 HydrophobicContact CE2-CG1 3.86Å; F131-V147 HydrophobicContact CE2-CG2 3.84Å; F131-V147 HydrophobicContact CZ-CG1 4.13Å; F131-V147 HydrophobicContact CZ-CG2 3.95Å; F131-V161 HydrophobicContact CD1-CG2 4.22Å; F131-V161 HydrophobicContact CE1-CB 4.5Å; F131-V161 HydrophobicContact CE1-CG1 3.95Å; F131-V161 HydrophobicContact CE1-CG2 4.39Å; F131-V161 HydrophobicContact CZ-CG1 4.15Å; F131-V164 HydrophobicContact CE1-CB 4.23Å; F131-V164 HydrophobicContact CE1-CG1 3.85Å; F131-V165 HydrophobicContact CZ-CG2 4.07Å
132E98.1Very high97.9Very high0 Ų021.2 Ų21.20%011%0.106CC..Hα-helixtrans-62.1-46179.3-178.1-96.7179.200112.1Y88 Y98 R102 F104 I128 E129 L134 L135 R136Y88-E132 HydrophobicContact CE1-CB 3.71Å; Y88-E132 HydrophobicContact CE1-CG 3.63Å; Y88-E132 PolarHBondContact OH-OE2 2.9Å; Y98-E132 VanDerWaalsContact OH-CG 3.24Å; Y98-E132 WeakPolarHBondContact OH-CG 3.34Å; R102-E132 WeakPolarHBondContact CB-OE1 3.41Å; R102-E132 IonicContact CZ-OE1 2.68Å; R102-E132 IonicContact CZ-OE2 2.74Å; R102-E132 IonicContact NE-OE1 4Å; R102-E132 PolarHBondContact NE-OE1 3.12Å; R102-E132 IonicContact NE-OE2 3.61Å; R102-E132 IonicContact NH2-OE1 3.43Å; R102-E132 PolarHBondContact NH2-OE1 3.39Å; R102-E132 IonicContact NH2-OE2 2.76Å; R102-E132 PolarHBondContact NH2-OE2 3.4Å; F104-E132 HydrophobicContact CE2-CG 4.43Å; F104-E132 HydrophobicContact CZ-CG 4.21Å; I128-E132 PolarHBondContact O-N 3.01Å; E129-E132 PolarHBondContact O-N 3.33Å; E132-L134 PolarHBondContact O-N 3.23Å; E132-L135 PolarHBondContact O-N 3.44Å; E132-R136 VanDerWaalsContact O-CB 3.23Å; E132-R136 WeakPolarHBondContact O-CB 3.32Å; E132-R136 PolarHBondContact O-N 2.81Å; E132-R136 IonicContact OE1-NH1 3.25Å
133R97.9Very high97.9Very high6 Ų621.2 Ų21.22%0.02311%0.106CC..Hα-helixtrans-64.5-41.5179.7-69.8178.673.7178.812.5112.7E129 S137 F216 D402 I405 E409E129-R133 HydrophobicContact CG-CG 4.39Å; E129-R133 WeakPolarHBondContact O-CB 3.25Å; E129-R133 VanDerWaalsContact O-CG 3.25Å; E129-R133 WeakPolarHBondContact O-CG 3Å; E129-R133 PolarHBondContact O-N 2.04Å; R133-S137 VanDerWaalsContact O-CB 3.3Å; R133-S137 WeakPolarHBondContact O-CB 3.17Å; R133-S137 PolarHBondContact O-N 3.3Å; R133-S137 PolarHBondContact O-OG 3.44Å; R133-F216 HydrophobicContact CB-CE2 4.14Å; R133-D402 IonicContact CZ-OD1 3.51Å; R133-D402 IonicContact NH1-OD1 2.71Å; R133-D402 PolarHBondContact NH1-OD1 3.26Å; R133-D402 IonicContact NH2-OD1 2.66Å; R133-I405 VanDerWaalsContact NH2-CB 3.32Å; R133-E409 WeakPolarHBondContact CB-OE1 3.31Å; R133-E409 WeakPolarHBondContact CG-OE1 3.33Å; R133-E409 IonicContact CZ-OE1 3.95Å; R133-E409 IonicContact CZ-OE2 3.57Å; R133-E409 IonicContact NE-OE1 3.93Å; R133-E409 PolarHBondContact NE-OE1 2.7Å; R133-E409 IonicContact NE-OE2 2.65Å; R133-E409 PolarHBondContact NE-OE2 2.62Å; R133-E409 IonicContact NH2-OE1 3.6Å; R133-E409 IonicContact NH2-OE2 3.42Å; R133-E409 PolarHBondContact NH2-OE2 3.25Å
134L98.7Very high97.9Very high0 Ų020.8 Ų20.80%010%0.103CC..Hα-helixtrans-60.4-53.7172.1173.357.5000110.2M122 M130 F131 E132 R136 S137 I138 F392M122-L134 HydrophobicContact CE-CB 4.47Å; M122-L134 HydrophobicContact CE-CD2 3.7Å; M122-L134 HydrophobicContact CE-CG 3.76Å; M130-L134 VanDerWaalsContact O-CB 3.27Å; M130-L134 WeakPolarHBondContact O-CB 3.17Å; M130-L134 PolarHBondContact O-N 3.17Å; F131-L134 PolarHBondContact O-N 3.41Å; E132-L134 PolarHBondContact O-N 3.23Å; L134-R136 PolarHBondContact O-N 3.37Å; L134-S137 PolarHBondContact O-N 3.31Å; L134-S137 VanDerWaalsContact O-N 3.11Å; L134-I138 HydrophobicContact CD1-CD1 4.34Å; L134-I138 HydrophobicContact CD1-CG2 4.18Å; L134-I138 HydrophobicContact CG-CD1 4.45Å; L134-I138 WeakPolarHBondContact O-CG1 2.97Å; L134-I138 PolarHBondContact O-N 3.24Å; L134-F392 HydrophobicContact CD1-CE1 4.09Å
135L98.8Very high97.9Very high0 Ų020.8 Ų20.80%010%0.103CC..Hα-helixtrans-55.6-51.5-179.4-178.563000110.6F104 M122 F131 E132 S137 I138 Y139 Y145 V164 F168 V171F104-L135 HydrophobicContact CE1-CD2 4.33Å; F104-L135 HydrophobicContact CE1-CG 4.1Å; M122-L135 HydrophobicContact CE-CB 4.33Å; M122-L135 HydrophobicContact SD-CD1 4.08Å; F131-L135 HydrophobicContact CE1-CD2 4.46Å; F131-L135 HydrophobicContact CE2-CB 4.46Å; F131-L135 HydrophobicContact CE2-CD2 4.5Å; F131-L135 HydrophobicContact CZ-CD2 3.98Å; F131-L135 WeakPolarHBondContact O-CB 3.32Å; F131-L135 PolarHBondContact O-N 2.76Å; E132-L135 PolarHBondContact O-N 3.44Å; L135-S137 PolarHBondContact O-N 2.66Å; L135-I138 CarbonylContact O-C 3.33Å; L135-I138 WeakPolarHBondContact O-CG1 3.4Å; L135-I138 PolarHBondContact O-N 3.49Å; L135-I138 VanDerWaalsContact O-N 3.13Å; L135-Y139 WeakPolarHBondContact O-CA 3.32Å; L135-Y139 WeakPolarHBondContact O-CB 3.26Å; L135-Y139 PolarHBondContact O-N 2.92Å; L135-Y145 HydrophobicContact CD1-CD1 4.01Å; L135-Y145 HydrophobicContact CD1-CG 4.16Å; L135-V164 HydrophobicContact CD2-CG1 4.15Å; L135-F168 HydrophobicContact CD2-CD2 4.42Å; L135-F168 HydrophobicContact CD2-CE2 4.23Å; L135-V171 HydrophobicContact CD1-CG1 4.4Å; L135-V171 HydrophobicContact CD1-CG2 4.19Å; L135-V171 HydrophobicContact CD2-CG1 4.41Å
136R98.1Very high98Very high23 Ų2316 Ų169%0.0878%0.081CC..Hα-helixtrans-55.2-37.3177.3178.7176.864.6-176.8-0.8113.4R102 F104 E132 L134 I138 E409R102-R136 WeakPolarHBondContact O-CD 3.4Å; R102-R136 PolarHBondContact O-NH1 2.94Å; F104-R136 HydrophobicContact CD1-CB 4.24Å; F104-R136 HydrophobicContact CD1-CG 4.42Å; F104-R136 HydrophobicContact CD2-CG 4.44Å; F104-R136 HydrophobicContact CE1-CB 3.75Å; F104-R136 HydrophobicContact CE1-CG 4.38Å; F104-R136 HydrophobicContact CE2-CB 4.16Å; F104-R136 HydrophobicContact CE2-CG 4.39Å; F104-R136 HydrophobicContact CG-CG 4.45Å; F104-R136 HydrophobicContact CZ-CB 3.7Å; F104-R136 HydrophobicContact CZ-CG 4.36Å; E132-R136 VanDerWaalsContact O-CB 3.23Å; E132-R136 WeakPolarHBondContact O-CB 3.32Å; E132-R136 PolarHBondContact O-N 2.81Å; E132-R136 IonicContact OE1-NH1 3.25Å; L134-R136 PolarHBondContact O-N 3.37Å; R136-I138 VanDerWaalsContact C-N 3.34Å; R136-E409 IonicContact CZ-OE1 3.35Å; R136-E409 IonicContact NE-OE1 3.12Å; R136-E409 VanDerWaalsContact NH2-CD 3.33Å; R136-E409 IonicContact NH2-OE1 2.76Å; R136-E409 PolarHBondContact NH2-OE1 2.81Å; R136-E409 IonicContact NH2-OE2 3.17Å
137S98.2Very high98.1Very high34 Ų3411.2 Ų11.224%0.2386%0.058CC..Hα-helixtrans-78-19.9-176.8-59.70000113.4R133 L134 L135 F216R133-S137 VanDerWaalsContact O-CB 3.3Å; R133-S137 WeakPolarHBondContact O-CB 3.17Å; R133-S137 PolarHBondContact O-N 3.3Å; R133-S137 PolarHBondContact O-OG 3.44Å; L134-S137 PolarHBondContact O-N 3.31Å; L134-S137 VanDerWaalsContact O-N 3.11Å; L135-S137 PolarHBondContact O-N 2.66Å; S137-F216 WeakPolarHBondContact OG-CZ 3.4Å
138I98.6Very high98.3Very high5 Ų58.9 Ų8.93%0.0265%0.048CC..Hα-helixtrans-113.6-7.5178.968.3176000113.4Y120 M122 L134 L135 R136 A140 Y145 P217 F392Y120-I138 HydrophobicContact CD1-CD1 3.87Å; Y120-I138 HydrophobicContact CD2-CD1 4.43Å; Y120-I138 HydrophobicContact CE1-CD1 4.08Å; Y120-I138 HydrophobicContact CG-CD1 4.05Å; M122-I138 HydrophobicContact CE-CD1 4.22Å; M122-I138 HydrophobicContact SD-CD1 4.25Å; L134-I138 HydrophobicContact CD1-CD1 4.34Å; L134-I138 HydrophobicContact CD1-CG2 4.18Å; L134-I138 HydrophobicContact CG-CD1 4.45Å; L134-I138 WeakPolarHBondContact O-CG1 2.97Å; L134-I138 PolarHBondContact O-N 3.24Å; L135-I138 CarbonylContact O-C 3.33Å; L135-I138 WeakPolarHBondContact O-CG1 3.4Å; L135-I138 PolarHBondContact O-N 3.49Å; L135-I138 VanDerWaalsContact O-N 3.13Å; R136-I138 VanDerWaalsContact C-N 3.34Å; I138-A140 PolarHBondContact O-N 3.34Å; I138-Y145 HydrophobicContact CD1-CD1 4.18Å; I138-Y145 HydrophobicContact CD1-CE1 3.95Å; I138-Y145 HydrophobicContact CG1-CD1 4.39Å; I138-Y145 HydrophobicContact CG1-CE1 3.79Å; I138-Y145 PolarHBondContact O-OH 3.15Å; I138-P217 HydrophobicContact CG2-CB 4.01Å; I138-P217 HydrophobicContact CG2-CG 3.79Å; I138-F392 HydrophobicContact CG2-CE1 3.76Å; I138-F392 HydrophobicContact CG2-CZ 3.82Å
139Y98.7Very high98.3Very high16 Ų168.7 Ų8.76%0.0635%0.047CC..  trans-67.3128.7-175.4-178.1-92.7000111.2F104 V105 T106 L135 Y145 F168 N170 V171F104-Y139 HydrophobicContact CD1-CD1 4.04Å; F104-Y139 AromaticContact CD1-CG 3.94Å; F104-Y139 HydrophobicContact CD1-CG 3.94Å; F104-Y139 HydrophobicContact CE1-CG 4.48Å; V105-Y139 WeakPolarHBondContact O-CD1 3.43Å; V105-Y139 VanDerWaalsContact O-CE1 3.25Å; V105-Y139 WeakPolarHBondContact O-CE1 3.46Å; T106-Y139 HydrophobicContact CG2-CE1 4.31Å; L135-Y139 WeakPolarHBondContact O-CA 3.32Å; L135-Y139 WeakPolarHBondContact O-CB 3.26Å; L135-Y139 PolarHBondContact O-N 2.92Å; Y139-Y145 VanDerWaalsContact CA-OH 3.23Å; Y139-Y145 WeakPolarHBondContact CA-OH 2.83Å; Y139-Y145 HydrophobicContact CD2-CD2 4.34Å; Y139-Y145 AromaticContact CD2-CE2 3.9Å; Y139-Y145 HydrophobicContact CD2-CE2 3.9Å; Y139-Y145 HydrophobicContact CE2-CE2 4.32Å; Y139-F168 HydrophobicContact CD2-CD1 4.1Å; Y139-F168 HydrophobicContact CD2-CE1 4.45Å; Y139-F168 HydrophobicContact CE1-CD1 4.09Å; Y139-F168 HydrophobicContact CE1-CE1 4.29Å; Y139-F168 HydrophobicContact CE2-CB 3.96Å; Y139-F168 AromaticContact CE2-CD1 3.43Å; Y139-F168 HydrophobicContact CE2-CD1 3.43Å; Y139-F168 VanDerWaalsContact CE2-CD1 3.43Å; Y139-F168 HydrophobicContact CE2-CE1 4.14Å; Y139-F168 AromaticContact CE2-CG 3.86Å; Y139-F168 HydrophobicContact CE2-CG 3.86Å; Y139-F168 AromaticContact CZ-CD1 3.42Å; Y139-F168 VanDerWaalsContact CZ-CD1 3.42Å; Y139-N170 WeakPolarHBondContact CE2-OD1 3.47Å; Y139-N170 PolarHBondContact OH-OD1 2.93Å; Y139-V171 HydrophobicContact CD2-CG2 4.1Å; Y139-V171 HydrophobicContact CE2-CG2 3.91Å
140A98.4Very high98.5Very high7 Ų78 Ų86%0.0584%0.044CC..  trans-142.8141.2167.700000108.3I138 Q142 N143 Y145 N170I138-A140 PolarHBondContact O-N 3.34Å; A140-Q142 PolarHBondContact O-N 3.41Å; A140-N143 HydrophobicContact CB-CB 4.44Å; A140-N143 WeakPolarHBondContact O-CB 3.33Å; A140-N143 PolarHBondContact O-N 3.28Å; A140-N143 VanDerWaalsContact O-N 3.11Å; A140-Y145 PolarHBondContact N-OH 3.04Å; A140-N170 PolarHBondContact O-ND2 2.71Å
141P98.1Very high98.5Very high38 Ų3813.3 Ų13.325%0.2477%0.069CC..THydrogen-bonded Turntrans-65.5-24.5-171.127.9-38.4000114T106 P108 N170T106-P141 WeakPolarHBondContact O-CB 3.27Å; T106-P141 WeakPolarHBondContact O-CG 3.36Å; P108-P141 HydrophobicContact CG-CG 3.92Å; P141-N170 PolarHBondContact O-ND2 2.96Å
142Q98.6Very high98.5Very high17 Ų1719.1 Ų19.18%0.07910%0.095CC..THydrogen-bonded Turntrans-82.3-20177.671.2-83.615.600113.7E113 L114 P117 A140E113-Q142 WeakPolarHBondContact O-CG 3.45Å; E113-Q142 PolarHBondContact O-NE2 3.38Å; L114-Q142 HydrophobicContact CD1-CB 3.89Å; P117-Q142 VanDerWaalsContact CB-O 3.32Å; P117-Q142 WeakPolarHBondContact CB-O 3.39Å; A140-Q142 PolarHBondContact O-N 3.41Å
143N98.9Very high98.5Very high0 Ų020 Ų200%010%0.1CC..SBendtrans-79.2179.4-178.8-73.9-12.7000111I118 A140 Y145 N170 N221I118-N143 PolarHBondContact N-OD1 2.75Å; I118-N143 WeakPolarHBondContact O-CA 3.35Å; I118-N143 VanDerWaalsContact O-CB 3.25Å; I118-N143 WeakPolarHBondContact O-CB 3.2Å; A140-N143 HydrophobicContact CB-CB 4.44Å; A140-N143 WeakPolarHBondContact O-CB 3.33Å; A140-N143 PolarHBondContact O-N 3.28Å; A140-N143 VanDerWaalsContact O-N 3.11Å; N143-Y145 HydrophobicContact CB-CE2 3.66Å; N143-Y145 WeakPolarHBondContact CB-OH 3.42Å; N143-Y145 PolarHBondContact ND2-OH 2.88Å; N143-N170 WeakPolarHBondContact O-CB 3.31Å; N143-N170 PolarHBondContact O-ND2 2.93Å; N143-N221 PolarHBondContact ND2-OD1 3.45Å
144I98.9Very high98.5Very high5 Ų522.6 Ų22.63%0.02612%0.119CC..EExtended strand (participates in β ladder)trans-141.6141.5175.3-171.7162.7000113I118 A119 Y120 N170 F172 L198 S201 V203 W205I118-I144 PolarHBondContact O-N 2.97Å; A119-I144 CarbonylContact C-O 3.58Å; A119-I144 VanDerWaalsContact CA-O 3.26Å; A119-I144 WeakPolarHBondContact CA-O 3.32Å; A119-I144 HydrophobicContact CB-CG2 3.71Å; Y120-I144 PolarHBondContact N-O 2.86Å; I144-N170 WeakPolarHBondContact CA-O 2.94Å; I144-F172 HydrophobicContact CD1-CD1 4.46Å; I144-F172 HydrophobicContact CD1-CE1 3.78Å; I144-F172 HydrophobicContact CG1-CD1 4.38Å; I144-F172 HydrophobicContact CG1-CE1 3.79Å; I144-L198 HydrophobicContact CB-CD2 4.41Å; I144-L198 HydrophobicContact CD1-CD2 4.31Å; I144-L198 HydrophobicContact CG1-CD2 3.93Å; I144-L198 HydrophobicContact CG2-CD2 3.78Å; I144-S201 WeakPolarHBondContact CD1-OG 3.29Å; I144-V203 HydrophobicContact CB-CB 4.27Å; I144-V203 HydrophobicContact CB-CG1 4.29Å; I144-V203 HydrophobicContact CB-CG2 4.33Å; I144-V203 HydrophobicContact CD1-CB 4.17Å; I144-V203 HydrophobicContact CD1-CG2 4.06Å; I144-V203 HydrophobicContact CG2-CB 4.31Å; I144-V203 HydrophobicContact CG2-CG1 4.18Å; I144-W205 HydrophobicContact CG2-CB 4.3Å; I144-W205 HydrophobicContact CG2-CG 4.16Å
145Y98.9Very high98.5Very high0 Ų030 Ų300%016%0.158CC..EExtended strand (participates in β ladder)trans-131.2117.8-169.1-51.9-95.3000110.3Y120 M122 L135 I138 Y139 A140 N143 N170 V171 F172Y120-Y145 AromaticContact CD2-CD1 3.5Å; Y120-Y145 HydrophobicContact CD2-CD1 3.5Å; Y120-Y145 VanDerWaalsContact CD2-CD1 3.5Å; Y120-Y145 AromaticContact CD2-CE1 3.17Å; Y120-Y145 HydrophobicContact CD2-CE1 3.17Å; Y120-Y145 HydrophobicContact CD2-CG 4.47Å; Y120-Y145 AromaticContact CD2-CZ 3.95Å; Y120-Y145 HydrophobicContact CE2-CD1 4.37Å; Y120-Y145 AromaticContact CE2-CE1 3.6Å; Y120-Y145 HydrophobicContact CE2-CE1 3.6Å; Y120-Y145 AromaticContact CG-CD1 3.88Å; Y120-Y145 HydrophobicContact CG-CD1 3.88Å; Y120-Y145 AromaticContact CG-CE1 3.91Å; Y120-Y145 HydrophobicContact CG-CE1 3.91Å; M122-Y145 HydrophobicContact SD-CD1 4.34Å; L135-Y145 HydrophobicContact CD1-CD1 4.01Å; L135-Y145 HydrophobicContact CD1-CG 4.16Å; I138-Y145 HydrophobicContact CD1-CD1 4.18Å; I138-Y145 HydrophobicContact CD1-CE1 3.95Å; I138-Y145 HydrophobicContact CG1-CD1 4.39Å; I138-Y145 HydrophobicContact CG1-CE1 3.79Å; I138-Y145 PolarHBondContact O-OH 3.15Å; Y139-Y145 VanDerWaalsContact CA-OH 3.23Å; Y139-Y145 WeakPolarHBondContact CA-OH 2.83Å; Y139-Y145 HydrophobicContact CD2-CD2 4.34Å; Y139-Y145 AromaticContact CD2-CE2 3.9Å; Y139-Y145 HydrophobicContact CD2-CE2 3.9Å; Y139-Y145 HydrophobicContact CE2-CE2 4.32Å; A140-Y145 PolarHBondContact N-OH 3.04Å; N143-Y145 HydrophobicContact CB-CE2 3.66Å; N143-Y145 WeakPolarHBondContact CB-OH 3.42Å; N143-Y145 PolarHBondContact ND2-OH 2.88Å; Y145-N170 WeakPolarHBondContact CD2-O 3.23Å; Y145-N170 PolarHBondContact N-O 3.06Å; Y145-V171 HydrophobicContact CD2-CG2 3.77Å; Y145-V171 HydrophobicContact CG-CG2 4.12Å; Y145-V171 WeakPolarHBondContact O-CA 3.16Å; Y145-F172 WeakPolarHBondContact O-CD1 3.11Å; Y145-F172 PolarHBondContact O-N 2.96Å
146C98.9Very high98.5Very high0 Ų032.4 Ų32.40%018%0.175CC..EExtended strand (participates in β ladder)trans-99.9128.2168.1177.60000109.7Y120 M122 F172 C194 L198Y120-C146 PolarHBondContact O-N 2.96Å; M122-C146 PolarHBondContact N-O 3.45Å; C146-F172 CarbonylContact C-O 3.48Å; C146-F172 WeakPolarHBondContact CA-O 3.36Å; C146-F172 HydrophobicContact CB-CD2 4.49Å; C146-F172 HydrophobicContact CB-CE1 4.3Å; C146-F172 HydrophobicContact CB-CE2 3.71Å; C146-F172 HydrophobicContact CB-CZ 3.61Å; C146-C194 VanDerWaalsContact C-SG 3.59Å; C146-C194 HydrophobicContact CB-CB 3.62Å; C146-C194 WeakPolarHBondContact CB-SG 3.4Å; C146-C194 WeakPolarHBondContact SG-CA 3.37Å; C146-C194 WeakPolarHBondContact SG-CB 3.39Å; C146-C194 CovalentContact SG-SG 2.04Å; C146-C194 PolarHBondContact SG-SG 3.21Å; C146-L198 HydrophobicContact CB-CD1 4.04Å; C146-L198 HydrophobicContact CB-CD2 4.03Å; C146-L198 HydrophobicContact CB-CG 3.86Å
147V98.9Very high98.5Very high0 Ų031.4 Ų31.40%017%0.172CC..EExtended strand (participates in β ladder)trans-110.8114179.9-173.90000109.4M122 I124 F131 I149 V161 V165 V171 F172 V173 A174M122-V147 HydrophobicContact CB-CG2 4.48Å; M122-V147 HydrophobicContact SD-CG2 4.35Å; I124-V147 HydrophobicContact CD1-CG1 3.5Å; I124-V147 HydrophobicContact CG1-CG1 3.95Å; F131-V147 HydrophobicContact CE2-CG1 3.86Å; F131-V147 HydrophobicContact CE2-CG2 3.84Å; F131-V147 HydrophobicContact CZ-CG1 4.13Å; F131-V147 HydrophobicContact CZ-CG2 3.95Å; V147-I149 HydrophobicContact CG1-CG1 4.3Å; V147-V161 HydrophobicContact CG1-CG1 3.92Å; V147-V165 HydrophobicContact CG2-CG2 4.13Å; V147-V171 HydrophobicContact CG2-CG1 3.95Å; V147-F172 PolarHBondContact N-O 3.5Å; V147-V173 CarbonylContact O-C 3.55Å; V147-V173 VanDerWaalsContact O-CA 3.31Å; V147-V173 WeakPolarHBondContact O-CA 3.3Å; V147-A174 PolarHBondContact O-N 3.21Å
148H98.9Very high98.5Very high0 Ų031 Ų310%017%0.166CC..EExtended strand (participates in β ladder)trans-95.8111.7171.4-179.5-69.5000109.9M122 V123 I124 A174 E178 A190M122-H148 PolarHBondContact O-N 3.06Å; V123-H148 HydrophobicContact CG2-CB 4.31Å; I124-H148 PolarHBondContact N-O 3.2Å; H148-A174 HydrophobicContact CB-CB 4.34Å; H148-E178 PolarHBondContact CE1-N 2.95Å; H148-E178 VanDerWaalsContact CE1-N 3.32Å; H148-E178 PolarHBondContact NE2-N 2.82Å; H148-A190 HydrophobicContact CB-CB 4.5Å
149I98.8Very high98.5Very high0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-91.1126174.8-46.4171.3000108.7V147 Q151 F157 H158 V161 V173 L177V147-I149 HydrophobicContact CG1-CG1 4.3Å; I149-Q151 PolarHBondContact O-N 3.3Å; I149-F157 HydrophobicContact CG2-CD1 3.94Å; I149-F157 HydrophobicContact CG2-CE1 3.9Å; I149-H158 WeakPolarHBondContact CG2-NE2 3.09Å; I149-V161 HydrophobicContact CD1-CB 3.74Å; I149-V161 HydrophobicContact CD1-CG1 3.51Å; I149-V161 HydrophobicContact CD1-CG2 4.44Å; I149-V161 HydrophobicContact CG1-CB 4.35Å; I149-V161 HydrophobicContact CG1-CG1 3.86Å; I149-V173 HydrophobicContact CD1-CG1 3.99Å; I149-V173 HydrophobicContact CD1-CG2 4.06Å; I149-V173 HydrophobicContact CG1-CG1 4.28Å; I149-L177 HydrophobicContact CB-CD1 4.3Å
150D98.4Very high98.5Very high13 Ų1336.9 Ų36.97%0.0719%0.188CC..  trans-57.9131.9173.6-168.9-41.8000110.6I124 H125 K152 S153 H158 V180I124-D150 PolarHBondContact O-N 3.03Å; H125-D150 HydrophobicContact CB-CB 3.64Å; D150-K152 PolarHBondContact O-N 2.8Å; D150-K152 VanDerWaalsContact O-N 3.13Å; D150-K152 WeakPolarHBondContact OD1-CB 3.47Å; D150-K152 VanDerWaalsContact OD1-CE 3.28Å; D150-K152 WeakPolarHBondContact OD1-CE 3.39Å; D150-K152 PolarHBondContact OD1-N 3.04Å; D150-K152 WeakPolarHBondContact OD2-CE 3.2Å; D150-S153 WeakPolarHBondContact O-CB 3.29Å; D150-S153 PolarHBondContact O-N 3.44Å; D150-S153 VanDerWaalsContact O-N 3.08Å; D150-S153 PolarHBondContact O-OG 3.16Å; D150-H158 PolarHBondContact O-NE2 2.83Å; D150-V180 PolarHBondContact OD1-N 3.05Å; D150-V180 VanDerWaalsContact OD2-CB 3.24Å; D150-V180 WeakPolarHBondContact OD2-CB 3.22Å; D150-V180 PolarHBondContact OD2-N 2.95Å
151Q98.2Very high98.6Very high114 Ų11436.6 Ų36.653%0.53319%0.185SC..THydrogen-bonded Turntrans-58.6-25.2178.2-72.8-174.6-24.100113.5I149 S153 L177 E178I149-Q151 PolarHBondContact O-N 3.3Å; Q151-S153 VanDerWaalsContact C-N 3.33Å; Q151-L177 HydrophobicContact CG-CB 3.76Å; Q151-L177 PolarHBondContact NE2-O 3.15Å; Q151-E178 PolarHBondContact N-O 2.98Å; Q151-E178 VanDerWaalsContact N-O 3.11Å
152K97.4Very high98.6Very high124 Ų12440.1 Ų40.154%0.53920%0.197SC..THydrogen-bonded Turntrans-80.6-11.7179.5-62.2177.7-70.51710113.9D150 S179 V180D150-K152 PolarHBondContact O-N 2.8Å; D150-K152 VanDerWaalsContact O-N 3.13Å; D150-K152 WeakPolarHBondContact OD1-CB 3.47Å; D150-K152 VanDerWaalsContact OD1-CE 3.28Å; D150-K152 WeakPolarHBondContact OD1-CE 3.39Å; D150-K152 PolarHBondContact OD1-N 3.04Å; D150-K152 WeakPolarHBondContact OD2-CE 3.2Å; K152-S179 WeakPolarHBondContact CD-OG 3.41Å; K152-S179 VanDerWaalsContact CG-OG 3.3Å; K152-S179 WeakPolarHBondContact CG-OG 3.36Å; K152-V180 WeakPolarHBondContact CE-O 3.5Å; K152-V180 PolarHBondContact NZ-O 3.19Å
153S98.1Very high98.6Very high17 Ų1742.2 Ų42.212%0.11921%0.206CC..SBendtrans-61.5153.9177.2-61.10000111.4H125 D150 Q151 H158H125-S153 VanDerWaalsContact C-OG 3.24Å; H125-S153 WeakPolarHBondContact CA-OG 3.4Å; H125-S153 WeakPolarHBondContact O-CB 3.45Å; H125-S153 PolarHBondContact O-OG 3.09Å; D150-S153 WeakPolarHBondContact O-CB 3.29Å; D150-S153 PolarHBondContact O-N 3.44Å; D150-S153 VanDerWaalsContact O-N 3.08Å; D150-S153 PolarHBondContact O-OG 3.16Å; Q151-S153 VanDerWaalsContact C-N 3.33Å; S153-H158 PolarHBondContact O-CD2 2.9Å
154S98.4Very high98.6Very high61 Ų6142.2 Ų42.243%0.42721%0.206SC..  trans-60.9153-179.867.70000112.1S156 F157 H158S154-S156 PolarHBondContact O-N 3.34Å; S154-S156 PolarHBondContact OG-OG 3.39Å; S154-S156 VanDerWaalsContact OG-OG 3.05Å; S154-F157 PolarHBondContact O-N 3.02Å; S154-F157 VanDerWaalsContact O-N 3.13Å; S154-F157 VanDerWaalsContact OG-CB 3.3Å; S154-F157 WeakPolarHBondContact OG-CB 3.05Å; S154-F157 PolarHBondContact OG-N 3.12Å; S154-H158 PolarHBondContact O-CD2 2.79Å; S154-H158 PolarHBondContact O-N 3.34Å
155L98.3Very high98.6Very high156 Ų15642.4 Ų42.482%0.81721%0.208SC*.Hα-helixtrans-59.4-36175.8-68.8174.2000112.3H158 R159L155-H158 PolarHBondContact O-N 2.92Å; L155-R159 WeakPolarHBondContact O-CB 3.29Å; L155-R159 PolarHBondContact O-N 2.96Å
156S98.3Very high98.5Very high51 Ų5146.1 Ų46.136%0.35723%0.233SC..Hα-helixtrans-63.7-42175.654.30000111.7S154 R159 A160S154-S156 PolarHBondContact O-N 3.34Å; S154-S156 PolarHBondContact OG-OG 3.39Å; S154-S156 VanDerWaalsContact OG-OG 3.05Å; S156-R159 PolarHBondContact O-N 2.95Å; S156-A160 WeakPolarHBondContact O-CB 3.38Å; S156-A160 PolarHBondContact O-N 2.83Å
157F98.6Very high98.5Very high2 Ų246.7 Ų46.71%0.00924%0.238CC..Hα-helixtrans-65-47176.5-176.4-100.4000111.5E85 I124 E126 I128 I149 S154 R159 A160 V161E85-F157 HydrophobicContact CG-CB 4.44Å; I124-F157 HydrophobicContact CB-CZ 4.38Å; I124-F157 HydrophobicContact CD1-CE1 4.18Å; I124-F157 HydrophobicContact CD1-CZ 3.94Å; I124-F157 HydrophobicContact CG1-CE1 4.16Å; I124-F157 HydrophobicContact CG1-CZ 4.17Å; E126-F157 WeakPolarHBondContact O-CE2 3.46Å; E126-F157 WeakPolarHBondContact O-CZ 3.44Å; I128-F157 HydrophobicContact CB-CD2 4.12Å; I128-F157 HydrophobicContact CB-CE2 4.03Å; I128-F157 HydrophobicContact CD1-CE2 4.41Å; I149-F157 HydrophobicContact CG2-CD1 3.94Å; I149-F157 HydrophobicContact CG2-CE1 3.9Å; S154-F157 PolarHBondContact O-N 3.02Å; S154-F157 VanDerWaalsContact O-N 3.13Å; S154-F157 VanDerWaalsContact OG-CB 3.3Å; S154-F157 WeakPolarHBondContact OG-CB 3.05Å; S154-F157 PolarHBondContact OG-N 3.12Å; F157-R159 VanDerWaalsContact C-N 3.26Å; F157-R159 PolarHBondContact O-N 2.62Å; F157-A160 PolarHBondContact O-N 2.93Å; F157-V161 HydrophobicContact CD1-CG2 4.17Å; F157-V161 HydrophobicContact CE1-CG2 3.83Å; F157-V161 HydrophobicContact CE2-CG2 4.15Å; F157-V161 HydrophobicContact CZ-CG2 3.82Å; F157-V161 WeakPolarHBondContact O-CG2 3.42Å; F157-V161 PolarHBondContact O-N 3.48Å
158H98.7Very high98.5Very high26 Ų2647 Ų4712%0.1224%0.239CC..Hα-helixtrans-54.2-44.6174.1-90.2-100.5000111.9I149 D150 S153 S154 L155 K162I149-H158 WeakPolarHBondContact CG2-NE2 3.09Å; D150-H158 PolarHBondContact O-NE2 2.83Å; S153-H158 PolarHBondContact O-CD2 2.9Å; S154-H158 PolarHBondContact O-CD2 2.79Å; S154-H158 PolarHBondContact O-N 3.34Å; L155-H158 PolarHBondContact O-N 2.92Å; H158-K162 VanDerWaalsContact O-CG 3.28Å; H158-K162 WeakPolarHBondContact O-CG 3.26Å; H158-K162 PolarHBondContact O-N 3.36Å; H158-K162 VanDerWaalsContact O-N 3.15Å
159R98.6Very high98.4Very high144 Ų14453.2 Ų53.254%0.54328%0.279SS..Hα-helixtrans-64.7-53.9178.1-172.7178.5-180-179.31.4110.9I89 L155 S156 F157 V161 K162 E163I89-R159 HydrophobicContact CD1-CB 4.24Å; I89-R159 HydrophobicContact CD1-CG 4.01Å; I89-R159 HydrophobicContact CG1-CG 4.15Å; L155-R159 WeakPolarHBondContact O-CB 3.29Å; L155-R159 PolarHBondContact O-N 2.96Å; S156-R159 PolarHBondContact O-N 2.95Å; F157-R159 VanDerWaalsContact C-N 3.26Å; F157-R159 PolarHBondContact O-N 2.62Å; R159-V161 VanDerWaalsContact C-N 3.31Å; R159-V161 PolarHBondContact O-N 2.84Å; R159-K162 WeakPolarHBondContact O-CB 3.32Å; R159-K162 PolarHBondContact O-N 3.09Å; R159-E163 HydrophobicContact CG-CG 4.23Å; R159-E163 VanDerWaalsContact O-CG 3.31Å; R159-E163 WeakPolarHBondContact O-CG 3.15Å; R159-E163 PolarHBondContact O-N 2.83Å
160A98.8Very high98.4Very high0 Ų053.9 Ų53.90%028%0.283CS..Hα-helixtrans-57.2-42.8-178.500000112.6E85 I89 I128 S156 F157 K162 E163 V164E85-A160 HydrophobicContact CB-CB 3.8Å; E85-A160 HydrophobicContact CG-CB 3.99Å; I89-A160 HydrophobicContact CD1-CB 4.31Å; I89-A160 HydrophobicContact CG1-CB 4.01Å; I128-A160 HydrophobicContact CD1-CB 3.85Å; I128-A160 HydrophobicContact CG1-CB 3.94Å; S156-A160 WeakPolarHBondContact O-CB 3.38Å; S156-A160 PolarHBondContact O-N 2.83Å; F157-A160 PolarHBondContact O-N 2.93Å; A160-K162 PolarHBondContact O-N 3.2Å; A160-E163 PolarHBondContact O-N 3.38Å; A160-V164 WeakPolarHBondContact O-CG2 3.33Å; A160-V164 PolarHBondContact O-N 2.77Å
161V98.8Very high98.5Very high0 Ų053.6 Ų53.60%028%0.282CS..Hα-helixtrans-61.4-46.2175.1174.80000111.1I124 I128 F131 V147 I149 F157 R159 E163 V164 V165I124-V161 HydrophobicContact CD1-CG1 4.03Å; I124-V161 HydrophobicContact CD1-CG2 3.73Å; I128-V161 HydrophobicContact CD1-CG2 3.68Å; F131-V161 HydrophobicContact CD1-CG2 4.22Å; F131-V161 HydrophobicContact CE1-CB 4.5Å; F131-V161 HydrophobicContact CE1-CG1 3.95Å; F131-V161 HydrophobicContact CE1-CG2 4.39Å; F131-V161 HydrophobicContact CZ-CG1 4.15Å; V147-V161 HydrophobicContact CG1-CG1 3.92Å; I149-V161 HydrophobicContact CD1-CB 3.74Å; I149-V161 HydrophobicContact CD1-CG1 3.51Å; I149-V161 HydrophobicContact CD1-CG2 4.44Å; I149-V161 HydrophobicContact CG1-CB 4.35Å; I149-V161 HydrophobicContact CG1-CG1 3.86Å; F157-V161 HydrophobicContact CD1-CG2 4.17Å; F157-V161 HydrophobicContact CE1-CG2 3.83Å; F157-V161 HydrophobicContact CE2-CG2 4.15Å; F157-V161 HydrophobicContact CZ-CG2 3.82Å; F157-V161 WeakPolarHBondContact O-CG2 3.42Å; F157-V161 PolarHBondContact O-N 3.48Å; R159-V161 VanDerWaalsContact C-N 3.31Å; R159-V161 PolarHBondContact O-N 2.84Å; V161-E163 VanDerWaalsContact C-N 3.3Å; V161-E163 PolarHBondContact O-N 2.84Å; V161-V164 PolarHBondContact O-N 3.01Å; V161-V165 HydrophobicContact CG1-CG2 4.03Å; V161-V165 WeakPolarHBondContact O-CB 3.12Å; V161-V165 WeakPolarHBondContact O-CG2 3.38Å; V161-V165 PolarHBondContact O-N 3.13Å
162K98.8Very high98.5Very high113 Ų11350.8 Ų50.849%0.49127%0.267SS..Hα-helixtrans-60.7-40.2178.8-75.6174.2-178.8-179.70112.4H158 R159 A160 V165 S166 V173H158-K162 VanDerWaalsContact O-CG 3.28Å; H158-K162 WeakPolarHBondContact O-CG 3.26Å; H158-K162 PolarHBondContact O-N 3.36Å; H158-K162 VanDerWaalsContact O-N 3.15Å; R159-K162 WeakPolarHBondContact O-CB 3.32Å; R159-K162 PolarHBondContact O-N 3.09Å; A160-K162 PolarHBondContact O-N 3.2Å; K162-V165 PolarHBondContact O-N 3.14Å; K162-S166 WeakPolarHBondContact O-CB 3.35Å; K162-S166 PolarHBondContact O-N 3.23Å; K162-S166 PolarHBondContact O-OG 3.42Å; K162-V173 HydrophobicContact CG-CG2 4.2Å
163E98.6Very high98.6Very high61 Ų6146.7 Ų46.729%0.28525%0.253SS..Hα-helixtrans-70.2-34.7178.2-60.5-65.6171.200112.3I89 T92 R159 A160 V161 S166I89-E163 HydrophobicContact CG1-CG 4.34Å; T92-E163 WeakPolarHBondContact CB-O 3.36Å; T92-E163 WeakPolarHBondContact CG2-O 3.43Å; T92-E163 VanDerWaalsContact OG1-CB 3.3Å; T92-E163 WeakPolarHBondContact OG1-CB 3.23Å; R159-E163 HydrophobicContact CG-CG 4.23Å; R159-E163 VanDerWaalsContact O-CG 3.31Å; R159-E163 WeakPolarHBondContact O-CG 3.15Å; R159-E163 PolarHBondContact O-N 2.83Å; A160-E163 PolarHBondContact O-N 3.38Å; V161-E163 VanDerWaalsContact C-N 3.3Å; V161-E163 PolarHBondContact O-N 2.84Å; E163-S166 PolarHBondContact O-OG 3.36Å
164V98.8Very high98.6Very high0 Ų046.1 Ų46.10%025%0.249CC..Hα-helixtrans-67.3-47.1171.8168.60000110.7Y88 T92 Y98 F131 L135 A160 V161 S166 C167 F168Y88-V164 HydrophobicContact CD1-CG2 3.82Å; Y88-V164 HydrophobicContact CG-CG2 4.19Å; T92-V164 HydrophobicContact CG2-CG2 3.99Å; Y98-V164 HydrophobicContact CE1-CG1 4.41Å; Y98-V164 WeakPolarHBondContact OH-CG1 3.27Å; F131-V164 HydrophobicContact CE1-CB 4.23Å; F131-V164 HydrophobicContact CE1-CG1 3.85Å; L135-V164 HydrophobicContact CD2-CG1 4.15Å; A160-V164 WeakPolarHBondContact O-CG2 3.33Å; A160-V164 PolarHBondContact O-N 2.77Å; V161-V164 PolarHBondContact O-N 3.01Å; V164-S166 VanDerWaalsContact C-N 3.32Å; V164-S166 PolarHBondContact O-N 2.79Å; V164-C167 PolarHBondContact O-N 2.83Å; V164-F168 HydrophobicContact CG1-CE2 4.3Å; V164-F168 VanDerWaalsContact O-CD2 3.25Å; V164-F168 WeakPolarHBondContact O-CD2 3.49Å; V164-F168 WeakPolarHBondContact O-CE2 3.37Å
165V98.5Very high98.6Very high9 Ų947.6 Ų47.66%0.05526%0.26CS..Hα-helixtrans-63.2-37.2-177.8168.30000111.6F131 V147 V161 K162 C167 F168 V171 V173F131-V165 HydrophobicContact CZ-CG2 4.07Å; V147-V165 HydrophobicContact CG2-CG2 4.13Å; V161-V165 HydrophobicContact CG1-CG2 4.03Å; V161-V165 WeakPolarHBondContact O-CB 3.12Å; V161-V165 WeakPolarHBondContact O-CG2 3.38Å; V161-V165 PolarHBondContact O-N 3.13Å; K162-V165 PolarHBondContact O-N 3.14Å; V165-C167 PolarHBondContact O-N 3.19Å; V165-C167 VanDerWaalsContact O-N 3.14Å; V165-F168 PolarHBondContact O-N 2.93Å; V165-F168 VanDerWaalsContact O-N 3.09Å; V165-V171 HydrophobicContact CB-CG1 4.27Å; V165-V171 HydrophobicContact CG1-CB 4.24Å; V165-V171 HydrophobicContact CG1-CG1 3.92Å; V165-V171 WeakPolarHBondContact CG1-O 3.17Å; V165-V171 HydrophobicContact CG2-CG1 3.81Å; V165-V173 HydrophobicContact CB-CG2 4.48Å; V165-V173 HydrophobicContact CG1-CG2 4.28Å; V165-V173 HydrophobicContact CG2-CG2 4.32Å
166S98.4Very high98.6Very high77 Ų7745.2 Ų45.254%0.53824%0.243SC..THydrogen-bonded Turntrans-63.3-19.4-178.966.80000113.8K162 E163 V164 F168K162-S166 WeakPolarHBondContact O-CB 3.35Å; K162-S166 PolarHBondContact O-N 3.23Å; K162-S166 PolarHBondContact O-OG 3.42Å; E163-S166 PolarHBondContact O-OG 3.36Å; V164-S166 VanDerWaalsContact C-N 3.32Å; V164-S166 PolarHBondContact O-N 2.79Å; S166-F168 VanDerWaalsContact C-N 3.27Å; S166-F168 PolarHBondContact O-N 2.72Å
167C98.7Very high98.6Very high13 Ų1344.4 Ų44.49%0.08823%0.234CC..THydrogen-bonded Turntrans-75.6-11.3176-67.50000114.2C95 Y98 I99 V164 V165C95-C167 WeakPolarHBondContact CA-SG 3.25Å; C95-C167 HydrophobicContact CB-CB 3.59Å; C95-C167 WeakPolarHBondContact CB-SG 3.2Å; C95-C167 WeakPolarHBondContact SG-CA 3.2Å; C95-C167 WeakPolarHBondContact SG-CB 3.15Å; C95-C167 CovalentContact SG-SG 2.05Å; C95-C167 PolarHBondContact SG-SG 2.89Å; Y98-C167 HydrophobicContact CD1-CB 4.25Å; I99-C167 HydrophobicContact CD1-CB 4.37Å; I99-C167 WeakPolarHBondContact CD1-O 3.43Å; V164-C167 PolarHBondContact O-N 2.83Å; V165-C167 PolarHBondContact O-N 3.19Å; V165-C167 VanDerWaalsContact O-N 3.14Å
168F98.5Very high98.6Very high7 Ų745.8 Ų45.83%0.03124%0.241CC..  trans-122.1129.5-175.5-55.1-81.2000111.7Y98 I99 F104 L135 Y139 V164 V165 S166 N170 V171Y98-F168 HydrophobicContact CE1-CE2 4.03Å; Y98-F168 HydrophobicContact CE1-CZ 4.05Å; I99-F168 HydrophobicContact CD1-CD1 4.28Å; I99-F168 HydrophobicContact CD1-CE1 4Å; I99-F168 HydrophobicContact CG1-CD1 4.49Å; I99-F168 HydrophobicContact CG1-CE1 3.74Å; I99-F168 HydrophobicContact CG1-CZ 3.98Å; F104-F168 HydrophobicContact CB-CE1 4.12Å; F104-F168 HydrophobicContact CB-CZ 4.48Å; F104-F168 AromaticContact CD1-CE1 3.47Å; F104-F168 HydrophobicContact CD1-CE1 3.47Å; F104-F168 VanDerWaalsContact CD1-CE1 3.47Å; F104-F168 HydrophobicContact CD1-CE2 4.46Å; F104-F168 AromaticContact CD1-CZ 3.4Å; F104-F168 HydrophobicContact CD1-CZ 3.4Å; F104-F168 HydrophobicContact CD2-CE1 4.32Å; F104-F168 AromaticContact CD2-CZ 3.84Å; F104-F168 HydrophobicContact CD2-CZ 3.84Å; F104-F168 AromaticContact CE1-CE1 3.88Å; F104-F168 HydrophobicContact CE1-CE1 3.88Å; F104-F168 HydrophobicContact CE1-CE2 4.05Å; F104-F168 AromaticContact CE1-CZ 3.35Å; F104-F168 HydrophobicContact CE1-CZ 3.35Å; F104-F168 AromaticContact CE2-CZ 3.81Å; F104-F168 HydrophobicContact CE2-CZ 3.81Å; F104-F168 AromaticContact CG-CE1 3.71Å; F104-F168 HydrophobicContact CG-CE1 3.71Å; F104-F168 AromaticContact CG-CZ 3.64Å; F104-F168 HydrophobicContact CG-CZ 3.64Å; F104-F168 HydrophobicContact CZ-CE1 4.47Å; F104-F168 HydrophobicContact CZ-CE2 4.13Å; F104-F168 AromaticContact CZ-CZ 3.57Å; F104-F168 HydrophobicContact CZ-CZ 3.57Å; L135-F168 HydrophobicContact CD2-CD2 4.42Å; L135-F168 HydrophobicContact CD2-CE2 4.23Å; Y139-F168 HydrophobicContact CD2-CD1 4.1Å; Y139-F168 HydrophobicContact CD2-CE1 4.45Å; Y139-F168 HydrophobicContact CE1-CD1 4.09Å; Y139-F168 HydrophobicContact CE1-CE1 4.29Å; Y139-F168 HydrophobicContact CE2-CB 3.96Å; Y139-F168 AromaticContact CE2-CD1 3.43Å; Y139-F168 HydrophobicContact CE2-CD1 3.43Å; Y139-F168 VanDerWaalsContact CE2-CD1 3.43Å; Y139-F168 HydrophobicContact CE2-CE1 4.14Å; Y139-F168 AromaticContact CE2-CG 3.86Å; Y139-F168 HydrophobicContact CE2-CG 3.86Å; Y139-F168 AromaticContact CZ-CD1 3.42Å; Y139-F168 VanDerWaalsContact CZ-CD1 3.42Å; V164-F168 HydrophobicContact CG1-CE2 4.3Å; V164-F168 VanDerWaalsContact O-CD2 3.25Å; V164-F168 WeakPolarHBondContact O-CD2 3.49Å; V164-F168 WeakPolarHBondContact O-CE2 3.37Å; V165-F168 PolarHBondContact O-N 2.93Å; V165-F168 VanDerWaalsContact O-N 3.09Å; S166-F168 VanDerWaalsContact C-N 3.27Å; S166-F168 PolarHBondContact O-N 2.72Å; F168-N170 VanDerWaalsContact C-N 3.26Å; F168-N170 PolarHBondContact O-N 3.11Å; F168-V171 HydrophobicContact CB-CB 3.87Å; F168-V171 HydrophobicContact CB-CG2 3.45Å; F168-V171 VanDerWaalsContact CB-CG2 3.45Å; F168-V171 HydrophobicContact CD2-CG2 4.23Å; F168-V171 HydrophobicContact CG-CG2 3.97Å
169P97.6Very high98.6Very high129 Ų12946.7 Ų46.784%0.83825%0.25SS*.THydrogen-bonded Turntrans-72.1-19.7-176.429.7-35.9000113.8
170N98.6Very high98.5Very high14 Ų1440.9 Ų40.98%0.07523%0.23CC..THydrogen-bonded Turntrans-112.814.1-175.763.6-33.4000113Y139 A140 P141 N143 I144 Y145 F168Y139-N170 WeakPolarHBondContact CE2-OD1 3.47Å; Y139-N170 PolarHBondContact OH-OD1 2.93Å; A140-N170 PolarHBondContact O-ND2 2.71Å; P141-N170 PolarHBondContact O-ND2 2.96Å; N143-N170 WeakPolarHBondContact O-CB 3.31Å; N143-N170 PolarHBondContact O-ND2 2.93Å; I144-N170 WeakPolarHBondContact CA-O 2.94Å; Y145-N170 WeakPolarHBondContact CD2-O 3.23Å; Y145-N170 PolarHBondContact N-O 3.06Å; F168-N170 VanDerWaalsContact C-N 3.26Å; F168-N170 PolarHBondContact O-N 3.11Å
171V98.9Very high98.4Very high8 Ų842 Ų425%0.04824%0.237CC..EExtended strand (participates in β ladder)trans-117134.5171.5-171.10000107.5L135 Y139 Y145 V147 V165 F168L135-V171 HydrophobicContact CD1-CG1 4.4Å; L135-V171 HydrophobicContact CD1-CG2 4.19Å; L135-V171 HydrophobicContact CD2-CG1 4.41Å; Y139-V171 HydrophobicContact CD2-CG2 4.1Å; Y139-V171 HydrophobicContact CE2-CG2 3.91Å; Y145-V171 HydrophobicContact CD2-CG2 3.77Å; Y145-V171 HydrophobicContact CG-CG2 4.12Å; Y145-V171 WeakPolarHBondContact O-CA 3.16Å; V147-V171 HydrophobicContact CG2-CG1 3.95Å; V165-V171 HydrophobicContact CB-CG1 4.27Å; V165-V171 HydrophobicContact CG1-CB 4.24Å; V165-V171 HydrophobicContact CG1-CG1 3.92Å; V165-V171 WeakPolarHBondContact CG1-O 3.17Å; V165-V171 HydrophobicContact CG2-CG1 3.81Å; F168-V171 HydrophobicContact CB-CB 3.87Å; F168-V171 HydrophobicContact CB-CG2 3.45Å; F168-V171 VanDerWaalsContact CB-CG2 3.45Å; F168-V171 HydrophobicContact CD2-CG2 4.23Å; F168-V171 HydrophobicContact CG-CG2 3.97Å
172F98.9Very high98.2Very high54 Ų5449.3 Ų49.324%0.23727%0.266CS..EExtended strand (participates in β ladder)trans-146.6153.4178.263.8-88.5000111.7I144 Y145 C146 V147 D197 L198I144-F172 HydrophobicContact CD1-CD1 4.46Å; I144-F172 HydrophobicContact CD1-CE1 3.78Å; I144-F172 HydrophobicContact CG1-CD1 4.38Å; I144-F172 HydrophobicContact CG1-CE1 3.79Å; Y145-F172 WeakPolarHBondContact O-CD1 3.11Å; Y145-F172 PolarHBondContact O-N 2.96Å; C146-F172 CarbonylContact C-O 3.48Å; C146-F172 WeakPolarHBondContact CA-O 3.36Å; C146-F172 HydrophobicContact CB-CD2 4.49Å; C146-F172 HydrophobicContact CB-CE1 4.3Å; C146-F172 HydrophobicContact CB-CE2 3.71Å; C146-F172 HydrophobicContact CB-CZ 3.61Å; V147-F172 PolarHBondContact N-O 3.5Å; F172-D197 HydrophobicContact CE2-CB 3.49Å; F172-D197 VanDerWaalsContact CE2-CB 3.49Å; F172-D197 HydrophobicContact CZ-CB 3.88Å; F172-L198 HydrophobicContact CE1-CD2 4.04Å; F172-L198 HydrophobicContact CZ-CD2 3.9Å; F172-L198 HydrophobicContact CZ-CG 4.17Å
173V98.9Very high98.1Very high38 Ų3844.2 Ų44.223%0.2325%0.245CC..EExtended strand (participates in β ladder)trans-80.5136.4171.5178.50000109V147 I149 K162 V165 S175 L177V147-V173 CarbonylContact O-C 3.55Å; V147-V173 VanDerWaalsContact O-CA 3.31Å; V147-V173 WeakPolarHBondContact O-CA 3.3Å; I149-V173 HydrophobicContact CD1-CG1 3.99Å; I149-V173 HydrophobicContact CD1-CG2 4.06Å; I149-V173 HydrophobicContact CG1-CG1 4.28Å; K162-V173 HydrophobicContact CG-CG2 4.2Å; V165-V173 HydrophobicContact CB-CG2 4.48Å; V165-V173 HydrophobicContact CG1-CG2 4.28Å; V165-V173 HydrophobicContact CG2-CG2 4.32Å; V173-S175 PolarHBondContact O-N 2.91Å; V173-L177 HydrophobicContact CG1-CD1 4.48Å; V173-L177 HydrophobicContact CG1-CD2 4.03Å
174A98.8Very high98.1Very high6 Ų641.4 Ų41.45%0.0523%0.232CC..  trans-52.8138.3178.400000111.4V147 H148 K176 L177 D197V147-A174 PolarHBondContact O-N 3.21Å; H148-A174 HydrophobicContact CB-CB 4.34Å; A174-K176 PolarHBondContact O-N 3.46Å; A174-L177 HydrophobicContact CB-CD2 4.09Å; A174-D197 WeakPolarHBondContact CA-OD2 3.31Å
175S98.6Very high98.1Very high92 Ų9242.7 Ų42.764%0.64324%0.237SC*.SBendtrans-63.4-25.7-179.267.70000112.6V173 D197V173-S175 PolarHBondContact O-N 2.91Å; S175-D197 WeakPolarHBondContact CB-OD1 3.41Å; S175-D197 WeakPolarHBondContact CB-OD2 2.91Å; S175-D197 PolarHBondContact N-OD2 3Å; S175-D197 VanDerWaalsContact OG-CG 3.24Å; S175-D197 PolarHBondContact OG-OD1 3.27Å; S175-D197 PolarHBondContact OG-OD2 3.36Å; S175-D197 VanDerWaalsContact OG-OD2 3.06Å
176K98.8Very high98Very high106 Ų10643 Ų4346%0.46124%0.24SC..SBendtrans-128.7121.8174.7-169.9-177.1-176.9-134.30110.8A174 E178 N193A174-K176 PolarHBondContact O-N 3.46Å; K176-E178 WeakPolarHBondContact CD-OE1 3.39Å; K176-E178 WeakPolarHBondContact CE-OE1 3.33Å; K176-E178 IonicContact NZ-OE1 3.99Å; K176-E178 PolarHBondContact NZ-OE1 2.73Å; K176-E178 IonicContact NZ-OE2 3.96Å; K176-N193 HydrophobicContact CB-CB 4.37Å; K176-N193 WeakPolarHBondContact O-CB 3.02Å; K176-N193 PolarHBondContact O-ND2 2.87Å
177L98.7Very high98Very high33 Ų3340.9 Ų40.917%0.17322%0.22CC..  trans-100.7143.9175.2-55.2-176.8000110.2I149 Q151 V173 A174I149-L177 HydrophobicContact CB-CD1 4.3Å; Q151-L177 HydrophobicContact CG-CB 3.76Å; Q151-L177 PolarHBondContact NE2-O 3.15Å; V173-L177 HydrophobicContact CG1-CD1 4.48Å; V173-L177 HydrophobicContact CG1-CD2 4.03Å; A174-L177 HydrophobicContact CB-CD2 4.09Å
178E98.3Very high98Very high31 Ų3140.2 Ų40.215%0.14522%0.215CC..  trans-112.9148.6177.5-55.9-63.7155.800110.5H148 Q151 K176 V180 Q189 N193H148-E178 PolarHBondContact CE1-N 2.95Å; H148-E178 VanDerWaalsContact CE1-N 3.32Å; H148-E178 PolarHBondContact NE2-N 2.82Å; Q151-E178 PolarHBondContact N-O 2.98Å; Q151-E178 VanDerWaalsContact N-O 3.11Å; K176-E178 WeakPolarHBondContact CD-OE1 3.39Å; K176-E178 WeakPolarHBondContact CE-OE1 3.33Å; K176-E178 IonicContact NZ-OE1 3.99Å; K176-E178 PolarHBondContact NZ-OE1 2.73Å; K176-E178 IonicContact NZ-OE2 3.96Å; E178-V180 HydrophobicContact CB-CG2 4.37Å; E178-V180 PolarHBondContact O-N 2.96Å; E178-Q189 VanDerWaalsContact CD-CG 3.44Å; E178-Q189 HydrophobicContact CG-CB 4.02Å; E178-Q189 HydrophobicContact CG-CG 3.71Å; E178-Q189 VanDerWaalsContact OE1-CG 3.25Å; E178-Q189 WeakPolarHBondContact OE1-CG 3.32Å; E178-N193 WeakPolarHBondContact CG-ND2 3.09Å; E178-N193 PolarHBondContact OE1-ND2 3.15Å
179S97.4Very high98Very high46 Ų4641.7 Ų41.732%0.32222%0.222SC..  trans-81.7101.9164.9178.40000108.3K152 V181 S186K152-S179 WeakPolarHBondContact CD-OG 3.41Å; K152-S179 VanDerWaalsContact CG-OG 3.3Å; K152-S179 WeakPolarHBondContact CG-OG 3.36Å; S179-V181 PolarHBondContact O-N 3.01Å; S179-S186 WeakPolarHBondContact O-CB 3.31Å; S179-S186 PolarHBondContact O-OG 3.33Å
180V96.9Very high98.1Very high21 Ų2135.5 Ų35.513%0.12718%0.182CC..  trans-83.5111.2-167.6-176.40000111.1D150 K152 E178 S186 R187 A190D150-V180 PolarHBondContact OD1-N 3.05Å; D150-V180 VanDerWaalsContact OD2-CB 3.24Å; D150-V180 WeakPolarHBondContact OD2-CB 3.22Å; D150-V180 PolarHBondContact OD2-N 2.95Å; K152-V180 WeakPolarHBondContact CE-O 3.5Å; K152-V180 PolarHBondContact NZ-O 3.19Å; E178-V180 HydrophobicContact CB-CG2 4.37Å; E178-V180 PolarHBondContact O-N 2.96Å; V180-S186 VanDerWaalsContact CA-OG 3.31Å; V180-S186 WeakPolarHBondContact CA-OG 3.25Å; V180-R187 HydrophobicContact CG1-CB 3.92Å; V180-A190 HydrophobicContact CG2-CB 4.34Å
181V96.8Very high98.1Very high23 Ų2334.9 Ų34.914%0.13918%0.179CC..  trans-92.1130.5171.6-178.40000109.5S179 A183 S184 S186 V256S179-V181 PolarHBondContact O-N 3.01Å; V181-A183 PolarHBondContact O-N 3.35Å; V181-S184 WeakPolarHBondContact CB-OG 3.48Å; V181-S184 WeakPolarHBondContact O-CB 3.39Å; V181-S184 PolarHBondContact O-N 3.16Å; V181-S184 VanDerWaalsContact O-N 3.12Å; V181-S184 PolarHBondContact O-OG 3.35Å; V181-S186 PolarHBondContact N-OG 2.94Å; V181-V256 HydrophobicContact CB-CG1 4.1Å; V181-V256 HydrophobicContact CG1-CG1 4.17Å; V181-V256 HydrophobicContact CG2-CG1 4.14Å
182Y95.7Very high98.1Very high154 Ų15435 Ų3560%0.60418%0.179SC*.THydrogen-bonded Turntrans-53.9136.9178.7175.3-98.9000111.4S184 V260Y182-S184 PolarHBondContact O-N 3.08Å; Y182-V260 WeakPolarHBondContact O-CG2 3.32Å
183A96.3Very high98.1Very high6 Ų632.9 Ų32.95%0.0517%0.17CC..THydrogen-bonded Turntrans61.714.2-177.600000115.6V181 V260 Y310 S311V181-A183 PolarHBondContact O-N 3.35Å; A183-V260 HydrophobicContact CB-CG2 4.38Å; A183-Y310 HydrophobicContact CB-CD1 4.33Å; A183-Y310 HydrophobicContact CB-CD2 4.28Å; A183-Y310 HydrophobicContact CB-CE1 3.9Å; A183-Y310 HydrophobicContact CB-CE2 3.84Å; A183-S311 VanDerWaalsContact CB-OG 3.3Å; A183-S311 WeakPolarHBondContact CB-OG 3.38Å; A183-S311 PolarHBondContact O-N 3.43Å
184S97.9Very high98.1Very high3 Ų331.1 Ų31.12%0.02116%0.16CC..SBendtrans-108.8167179.280.60000112.9V181 Y182 S186 R187V181-S184 WeakPolarHBondContact CB-OG 3.48Å; V181-S184 WeakPolarHBondContact O-CB 3.39Å; V181-S184 PolarHBondContact O-N 3.16Å; V181-S184 VanDerWaalsContact O-N 3.12Å; V181-S184 PolarHBondContact O-OG 3.35Å; Y182-S184 PolarHBondContact O-N 3.08Å; S184-S186 PolarHBondContact O-N 3.29Å; S184-S186 VanDerWaalsContact O-N 3.1Å; S184-S186 PolarHBondContact OG-N 2.89Å; S184-S186 PolarHBondContact OG-OG 3.23Å; S184-R187 PolarHBondContact O-N 3.43Å; S184-R187 VanDerWaalsContact O-N 3.16Å
185W98.2Very high98.1Very high27 Ų2730.8 Ų30.810%0.10216%0.157CC..Hα-helixtrans-50.5-31.6174.1175.7-103.6000114.6R187 V188 Q189 L192 M303 E306 K307 P312 M316W185-R187 PolarHBondContact O-N 2.77Å; W185-V188 HydrophobicContact CD2-CB 4.37Å; W185-V188 HydrophobicContact CE3-CB 4Å; W185-V188 HydrophobicContact CE3-CG1 4.05Å; W185-V188 HydrophobicContact CE3-CG2 4.45Å; W185-V188 HydrophobicContact CH2-CB 4.39Å; W185-V188 HydrophobicContact CH2-CG1 3.6Å; W185-V188 HydrophobicContact CZ2-CG1 4.17Å; W185-V188 HydrophobicContact CZ3-CB 4.02Å; W185-V188 HydrophobicContact CZ3-CG1 3.54Å; W185-V188 WeakPolarHBondContact O-CA 3.35Å; W185-V188 WeakPolarHBondContact O-CB 3.47Å; W185-V188 PolarHBondContact O-N 3.09Å; W185-Q189 PolarHBondContact O-N 3.03Å; W185-L192 HydrophobicContact CH2-CD1 3.69Å; W185-L192 HydrophobicContact CZ2-CD1 3.52Å; W185-M303 HydrophobicContact CH2-CB 3.73Å; W185-M303 HydrophobicContact CH2-CG 4.03Å; W185-M303 HydrophobicContact CH2-SD 4.27Å; W185-M303 HydrophobicContact CZ2-CB 4.45Å; W185-M303 HydrophobicContact CZ3-CB 4.46Å; W185-E306 HydrophobicContact CE3-CB 4.24Å; W185-E306 HydrophobicContact CZ3-CB 3.92Å; W185-K307 HydrophobicContact CB-CB 4.48Å; W185-K307 VanDerWaalsContact CB-O 3.31Å; W185-K307 WeakPolarHBondContact CB-O 3.22Å; W185-K307 HydrophobicContact CD2-CB 4.39Å; W185-K307 HydrophobicContact CD2-CG 3.72Å; W185-K307 HydrophobicContact CE3-CG 4.24Å; W185-K307 HydrophobicContact CG-CB 4.21Å; W185-K307 HydrophobicContact CG-CG 3.84Å; W185-K307 HydrophobicContact CZ2-CG 4.43Å; W185-P312 HydrophobicContact CE3-CB 4.36Å; W185-P312 HydrophobicContact CE3-CG 4.28Å; W185-M316 HydrophobicContact CH2-SD 3.86Å; W185-M316 HydrophobicContact CZ3-SD 3.57Å; W185-M316 VanDerWaalsContact CZ3-SD 3.57Å
186S98Very high98.1Very high16 Ų1632 Ų3211%0.11215%0.151CC..Hα-helixtrans-57.6-27.9-178.1600000112.8S179 V180 V181 S184 Q189 A190S179-S186 WeakPolarHBondContact O-CB 3.31Å; S179-S186 PolarHBondContact O-OG 3.33Å; V180-S186 VanDerWaalsContact CA-OG 3.31Å; V180-S186 WeakPolarHBondContact CA-OG 3.25Å; V181-S186 PolarHBondContact N-OG 2.94Å; S184-S186 PolarHBondContact O-N 3.29Å; S184-S186 VanDerWaalsContact O-N 3.1Å; S184-S186 PolarHBondContact OG-N 2.89Å; S184-S186 PolarHBondContact OG-OG 3.23Å; S186-Q189 PolarHBondContact O-N 3.27Å; S186-A190 PolarHBondContact O-N 3.48Å
187R98.3Very high98.1Very high31 Ų3128.1 Ų28.112%0.11714%0.135CC..Hα-helixtrans-66.5-43.4174.8175.459.4-168.984.70.7111.3V180 S184 W185 D191 D313V180-R187 HydrophobicContact CG1-CB 3.92Å; S184-R187 PolarHBondContact O-N 3.43Å; S184-R187 VanDerWaalsContact O-N 3.16Å; W185-R187 PolarHBondContact O-N 2.77Å; R187-D191 IonicContact CZ-OD2 2.63Å; R187-D191 IonicContact NH1-OD1 3.9Å; R187-D191 IonicContact NH1-OD2 2.96Å; R187-D191 PolarHBondContact NH1-OD2 3.02Å; R187-D191 IonicContact NH2-OD2 2.73Å; R187-D191 PolarHBondContact NH2-OD2 2.59Å; R187-D313 HydrophobicContact CG-CB 4.36Å
188V98.7Very high98.1Very high0 Ų026.6 Ų26.60%013%0.127CC..Hα-helixtrans-66-44.4174.6173.10000110.4W185 A190 D191 L192 P312 D313 M316 W317W185-V188 HydrophobicContact CD2-CB 4.37Å; W185-V188 HydrophobicContact CE3-CB 4Å; W185-V188 HydrophobicContact CE3-CG1 4.05Å; W185-V188 HydrophobicContact CE3-CG2 4.45Å; W185-V188 HydrophobicContact CH2-CB 4.39Å; W185-V188 HydrophobicContact CH2-CG1 3.6Å; W185-V188 HydrophobicContact CZ2-CG1 4.17Å; W185-V188 HydrophobicContact CZ3-CB 4.02Å; W185-V188 HydrophobicContact CZ3-CG1 3.54Å; W185-V188 WeakPolarHBondContact O-CA 3.35Å; W185-V188 WeakPolarHBondContact O-CB 3.47Å; W185-V188 PolarHBondContact O-N 3.09Å; V188-A190 VanDerWaalsContact C-N 3.26Å; V188-A190 PolarHBondContact O-N 3.21Å; V188-D191 PolarHBondContact O-N 2.79Å; V188-D191 VanDerWaalsContact O-N 3.13Å; V188-L192 HydrophobicContact CG1-CD1 3.85Å; V188-L192 HydrophobicContact CG1-CG 4.2Å; V188-L192 PolarHBondContact O-N 3.3Å; V188-P312 HydrophobicContact CG2-CB 4.16Å; V188-P312 HydrophobicContact CG2-CG 4.04Å; V188-D313 HydrophobicContact CG2-CB 3.73Å; V188-M316 HydrophobicContact CB-CE 4.48Å; V188-M316 HydrophobicContact CG1-CE 3.24Å; V188-M316 HydrophobicContact CG1-SD 3.85Å; V188-M316 HydrophobicContact CG2-CE 4.44Å; V188-W317 HydrophobicContact CG1-CH2 4.3Å; V188-W317 HydrophobicContact CG1-CZ2 3.85Å
189Q98.8Very high98.2Very high37 Ų3726.4 Ų26.417%0.17313%0.127CC..Hα-helixtrans-59.1-36.3-179.5-170.26467.200112.8E178 W185 S186 D191 L192 N193E178-Q189 VanDerWaalsContact CD-CG 3.44Å; E178-Q189 HydrophobicContact CG-CB 4.02Å; E178-Q189 HydrophobicContact CG-CG 3.71Å; E178-Q189 VanDerWaalsContact OE1-CG 3.25Å; E178-Q189 WeakPolarHBondContact OE1-CG 3.32Å; W185-Q189 PolarHBondContact O-N 3.03Å; S186-Q189 PolarHBondContact O-N 3.27Å; Q189-D191 PolarHBondContact O-N 2.93Å; Q189-L192 PolarHBondContact O-N 3Å; Q189-N193 PolarHBondContact NE2-OD1 2.81Å; Q189-N193 PolarHBondContact O-N 3.25Å; Q189-N193 PolarHBondContact O-OD1 3.48Å
190A98.8Very high98.2Very high0 Ų031 Ų310%014%0.143CC..Hα-helixtrans-57.7-46.617500000112.5V123 H148 V180 S186 V188 N193 C194V123-A190 HydrophobicContact CG1-CB 4.1Å; V123-A190 HydrophobicContact CG2-CB 4.1Å; H148-A190 HydrophobicContact CB-CB 4.5Å; V180-A190 HydrophobicContact CG2-CB 4.34Å; S186-A190 PolarHBondContact O-N 3.48Å; V188-A190 VanDerWaalsContact C-N 3.26Å; V188-A190 PolarHBondContact O-N 3.21Å; A190-N193 PolarHBondContact O-N 3.47Å; A190-C194 PolarHBondContact O-N 3.16Å
191D98.9Very high98.2Very high0 Ų031.5 Ų31.50%015%0.147CC..Hα-helixtrans-67.8-39.2175.4-86-38.8000111.7S121 R187 V188 Q189 N193 C194 M195 N210 F283 W317S121-D191 WeakPolarHBondContact CB-OD1 3.19Å; S121-D191 PolarHBondContact OG-OD1 2.91Å; R187-D191 IonicContact CZ-OD2 2.63Å; R187-D191 IonicContact NH1-OD1 3.9Å; R187-D191 IonicContact NH1-OD2 2.96Å; R187-D191 PolarHBondContact NH1-OD2 3.02Å; R187-D191 IonicContact NH2-OD2 2.73Å; R187-D191 PolarHBondContact NH2-OD2 2.59Å; V188-D191 PolarHBondContact O-N 2.79Å; V188-D191 VanDerWaalsContact O-N 3.13Å; Q189-D191 PolarHBondContact O-N 2.93Å; D191-N193 VanDerWaalsContact C-N 3.32Å; D191-N193 PolarHBondContact O-N 3.26Å; D191-C194 PolarHBondContact O-N 3.35Å; D191-M195 WeakPolarHBondContact O-CB 3.45Å; D191-M195 VanDerWaalsContact O-CG 3.31Å; D191-M195 WeakPolarHBondContact O-CG 3.47Å; D191-M195 PolarHBondContact O-N 2.91Å; D191-N210 WeakPolarHBondContact OD1-CB 3.42Å; D191-N210 PolarHBondContact OD2-ND2 3.39Å; D191-F283 HydrophobicContact CB-CZ 4.42Å; D191-W317 HydrophobicContact CB-CZ2 4.4Å
192L98.9Very high98.2Very high10 Ų1039.4 Ų39.45%0.05218%0.183CC..Hα-helixtrans-62.7-37.7176.8-71.1173.1000112.4W185 V188 Q189 M195 K196 V293 M294 M303 W317W185-L192 HydrophobicContact CH2-CD1 3.69Å; W185-L192 HydrophobicContact CZ2-CD1 3.52Å; V188-L192 HydrophobicContact CG1-CD1 3.85Å; V188-L192 HydrophobicContact CG1-CG 4.2Å; V188-L192 PolarHBondContact O-N 3.3Å; Q189-L192 PolarHBondContact O-N 3Å; L192-M195 HydrophobicContact CD2-SD 4.07Å; L192-M195 PolarHBondContact O-N 3.37Å; L192-K196 PolarHBondContact O-N 3.28Å; L192-V293 HydrophobicContact CD2-CG1 4.07Å; L192-M294 HydrophobicContact CB-CE 4.15Å; L192-M294 HydrophobicContact CD2-CE 3.63Å; L192-M294 WeakPolarHBondContact O-CE 3.24Å; L192-M303 HydrophobicContact CD1-SD 3.84Å; L192-M303 HydrophobicContact CD2-SD 3.96Å; L192-W317 HydrophobicContact CD2-CH2 3.8Å; L192-W317 HydrophobicContact CD2-CZ3 4.49Å; L192-W317 HydrophobicContact CG-CH2 4.21Å
193N98.9Very high98.3Very high11 Ų1134 Ų346%0.05917%0.165CC..Hα-helixtrans-63.2-46.7175.8-67.9-12.8000110.3K176 E178 Q189 A190 D191 K196 D197K176-N193 HydrophobicContact CB-CB 4.37Å; K176-N193 WeakPolarHBondContact O-CB 3.02Å; K176-N193 PolarHBondContact O-ND2 2.87Å; E178-N193 WeakPolarHBondContact CG-ND2 3.09Å; E178-N193 PolarHBondContact OE1-ND2 3.15Å; Q189-N193 PolarHBondContact NE2-OD1 2.81Å; Q189-N193 PolarHBondContact O-N 3.25Å; Q189-N193 PolarHBondContact O-OD1 3.48Å; A190-N193 PolarHBondContact O-N 3.47Å; D191-N193 VanDerWaalsContact C-N 3.32Å; D191-N193 PolarHBondContact O-N 3.26Å; N193-K196 WeakPolarHBondContact O-CB 3.19Å; N193-K196 PolarHBondContact O-N 2.9Å; N193-D197 PolarHBondContact O-N 3.41Å; N193-D197 VanDerWaalsContact O-N 3.14Å
194C98.9Very high98.4Very high0 Ų043.3 Ų43.30%020%0.199CC..Hα-helixtrans-63.6-43.4174.9-90.40000113.1S121 C146 A190 D191 K196 D197 L198S121-C194 VanDerWaalsContact OG-CB 3.24Å; S121-C194 WeakPolarHBondContact OG-CB 3.24Å; C146-C194 VanDerWaalsContact C-SG 3.59Å; C146-C194 HydrophobicContact CB-CB 3.62Å; C146-C194 WeakPolarHBondContact CB-SG 3.4Å; C146-C194 WeakPolarHBondContact SG-CA 3.37Å; C146-C194 WeakPolarHBondContact SG-CB 3.39Å; C146-C194 CovalentContact SG-SG 2.04Å; C146-C194 PolarHBondContact SG-SG 3.21Å; A190-C194 PolarHBondContact O-N 3.16Å; D191-C194 PolarHBondContact O-N 3.35Å; C194-K196 PolarHBondContact O-N 3.29Å; C194-D197 PolarHBondContact O-N 2.99Å; C194-L198 HydrophobicContact CB-CD1 4.5Å; C194-L198 VanDerWaalsContact O-CB 3.3Å; C194-L198 WeakPolarHBondContact O-CB 3.25Å; C194-L198 WeakPolarHBondContact O-CD1 3.38Å; C194-L198 WeakPolarHBondContact O-CG 3.38Å; C194-L198 PolarHBondContact O-N 3.43Å
195M98.9Very high98.4Very high0 Ų043.3 Ų43.30%020%0.199CC..Hα-helixtrans-54.1-43.4174.2-80.2-177.2-165.800111.8D191 L192 L199 L208 F283 V290 M294 W317D191-M195 WeakPolarHBondContact O-CB 3.45Å; D191-M195 VanDerWaalsContact O-CG 3.31Å; D191-M195 WeakPolarHBondContact O-CG 3.47Å; D191-M195 PolarHBondContact O-N 2.91Å; L192-M195 HydrophobicContact CD2-SD 4.07Å; L192-M195 PolarHBondContact O-N 3.37Å; M195-L199 WeakPolarHBondContact O-CG 3.43Å; M195-L199 PolarHBondContact O-N 3.11Å; M195-L199 VanDerWaalsContact O-N 3.1Å; M195-L208 HydrophobicContact CB-CD2 4.49Å; M195-L208 HydrophobicContact CE-CD2 3.97Å; M195-L208 HydrophobicContact CG-CD2 3.37Å; M195-L208 HydrophobicContact SD-CD2 4.36Å; M195-F283 HydrophobicContact CE-CE1 3.95Å; M195-F283 HydrophobicContact CE-CE2 3.66Å; M195-F283 HydrophobicContact CE-CZ 3.2Å; M195-V290 HydrophobicContact CB-CG1 3.63Å; M195-V290 HydrophobicContact CG-CG1 3.73Å; M195-V290 HydrophobicContact CG-CG2 4.44Å; M195-V290 HydrophobicContact SD-CG1 4.01Å; M195-V290 HydrophobicContact SD-CG2 4.43Å; M195-M294 HydrophobicContact CB-CE 3.24Å; M195-M294 HydrophobicContact CG-CE 4.2Å; M195-M294 HydrophobicContact SD-CE 3.97Å; M195-W317 HydrophobicContact CE-CH2 3.6Å; M195-W317 HydrophobicContact CE-CZ2 4.19Å; M195-W317 HydrophobicContact CE-CZ3 3.93Å; M195-W317 HydrophobicContact SD-CH2 4.22Å
196K98.8Very high98.4Very high118 Ų11846.6 Ų46.651%0.51321%0.214SC..Hα-helixtrans-61.5-50178-177.8-178.4176.5-175.20110.8L192 N193 C194 L199 H200L192-K196 PolarHBondContact O-N 3.28Å; N193-K196 WeakPolarHBondContact O-CB 3.19Å; N193-K196 PolarHBondContact O-N 2.9Å; C194-K196 PolarHBondContact O-N 3.29Å; K196-L199 PolarHBondContact O-N 3.29Å; K196-H200 PolarHBondContact O-CE1 3.44Å; K196-H200 PolarHBondContact O-ND1 3.4Å
197D98.9Very high98.5Very high24 Ų2446.2 Ų46.213%0.12821%0.21CC..Hα-helixtrans-66-41.9-178.3-63.3-24.2000111.9F172 A174 S175 N193 C194 L199 H200 S201F172-D197 HydrophobicContact CE2-CB 3.49Å; F172-D197 VanDerWaalsContact CE2-CB 3.49Å; F172-D197 HydrophobicContact CZ-CB 3.88Å; A174-D197 WeakPolarHBondContact CA-OD2 3.31Å; S175-D197 WeakPolarHBondContact CB-OD1 3.41Å; S175-D197 WeakPolarHBondContact CB-OD2 2.91Å; S175-D197 PolarHBondContact N-OD2 3Å; S175-D197 VanDerWaalsContact OG-CG 3.24Å; S175-D197 PolarHBondContact OG-OD1 3.27Å; S175-D197 PolarHBondContact OG-OD2 3.36Å; S175-D197 VanDerWaalsContact OG-OD2 3.06Å; N193-D197 PolarHBondContact O-N 3.41Å; N193-D197 VanDerWaalsContact O-N 3.14Å; C194-D197 PolarHBondContact O-N 2.99Å; D197-L199 VanDerWaalsContact C-N 3.25Å; D197-L199 PolarHBondContact O-N 3.48Å; D197-H200 WeakPolarHBondContact O-CB 3.49Å; D197-H200 PolarHBondContact O-N 3.45Å; D197-S201 PolarHBondContact O-N 3.1Å
198L98.9Very high98.5Very high0 Ų044.8 Ų44.80%021%0.205CC..Hα-helixtrans-60.6-32.6176.8-71.8166.6000112.8A119 I144 C146 F172 C194 H200 S201 W205 L208A119-L198 HydrophobicContact CB-CD1 4.21Å; A119-L198 HydrophobicContact CB-CD2 4.1Å; I144-L198 HydrophobicContact CB-CD2 4.41Å; I144-L198 HydrophobicContact CD1-CD2 4.31Å; I144-L198 HydrophobicContact CG1-CD2 3.93Å; I144-L198 HydrophobicContact CG2-CD2 3.78Å; C146-L198 HydrophobicContact CB-CD1 4.04Å; C146-L198 HydrophobicContact CB-CD2 4.03Å; C146-L198 HydrophobicContact CB-CG 3.86Å; F172-L198 HydrophobicContact CE1-CD2 4.04Å; F172-L198 HydrophobicContact CZ-CD2 3.9Å; F172-L198 HydrophobicContact CZ-CG 4.17Å; C194-L198 HydrophobicContact CB-CD1 4.5Å; C194-L198 VanDerWaalsContact O-CB 3.3Å; C194-L198 WeakPolarHBondContact O-CB 3.25Å; C194-L198 WeakPolarHBondContact O-CD1 3.38Å; C194-L198 WeakPolarHBondContact O-CG 3.38Å; C194-L198 PolarHBondContact O-N 3.43Å; L198-H200 VanDerWaalsContact C-N 3.29Å; L198-H200 PolarHBondContact O-N 3.05Å; L198-S201 PolarHBondContact O-N 2.87Å; L198-W205 HydrophobicContact CB-CZ2 4.06Å; L198-W205 PolarHBondContact O-NE1 2.05Å; L198-L208 HydrophobicContact CD1-CD1 3.59Å; L198-L208 HydrophobicContact CD1-CD2 4.48Å
199L98.6Very high98.5Very high28 Ų2844.9 Ų44.915%0.14721%0.205CC..Hα-helixtrans-67.4-28.9174.5-76.6179.7000113.3M195 K196 D197 W205 R287 V290 K291 M294M195-L199 WeakPolarHBondContact O-CG 3.43Å; M195-L199 PolarHBondContact O-N 3.11Å; M195-L199 VanDerWaalsContact O-N 3.1Å; K196-L199 PolarHBondContact O-N 3.29Å; D197-L199 VanDerWaalsContact C-N 3.25Å; D197-L199 PolarHBondContact O-N 3.48Å; L199-W205 HydrophobicContact CD2-CH2 4.25Å; L199-W205 HydrophobicContact CD2-CZ2 3.85Å; L199-W205 HydrophobicContact CG-CZ2 4.44Å; L199-R287 HydrophobicContact CD2-CG 4.16Å; L199-R287 PolarHBondContact O-NH2 3.14Å; L199-R287 VanDerWaalsContact O-NH2 3.15Å; L199-V290 HydrophobicContact CD1-CG1 4Å; L199-V290 HydrophobicContact CD2-CB 4.46Å; L199-V290 HydrophobicContact CD2-CG1 4.14Å; L199-V290 HydrophobicContact CG-CG1 3.94Å; L199-K291 HydrophobicContact CD1-CG 4.22Å; L199-K291 HydrophobicContact CD2-CD 4.48Å; L199-K291 HydrophobicContact CD2-CG 3.47Å; L199-K291 VanDerWaalsContact CD2-CG 3.47Å; L199-M294 HydrophobicContact CD1-CB 4.17Å; L199-M294 HydrophobicContact CD1-CG 3.81Å
200H97.8Very high98.5Very high143 Ų14343.2 Ų43.266%0.66220%0.198SC*.Hα-helixtrans-83.3-12.6178.2-65.994.4000113.3K196 D197 L198K196-H200 PolarHBondContact O-CE1 3.44Å; K196-H200 PolarHBondContact O-ND1 3.4Å; D197-H200 WeakPolarHBondContact O-CB 3.49Å; D197-H200 PolarHBondContact O-N 3.45Å; L198-H200 VanDerWaalsContact C-N 3.29Å; L198-H200 PolarHBondContact O-N 3.05Å
201S97.1Very high98.5Very high31 Ų3143.2 Ų43.222%0.21720%0.198CC..SBendtrans-63.5147.2174.6179.70000112.7I144 D197 L198 V203I144-S201 WeakPolarHBondContact CD1-OG 3.29Å; D197-S201 PolarHBondContact O-N 3.1Å; L198-S201 PolarHBondContact O-N 2.87Å; S201-V203 PolarHBondContact O-N 2.92Å; S201-V203 PolarHBondContact OG-N 2.95Å
202E96.8Very high98.3Very high189 Ų18944.2 Ų44.288%0.88320%0.204SC*.SBendtrans-66.9-24.3170.7-57.7-172.316300112.8R204E202-R204 PolarHBondContact O-N 3.14Å
203V98.1Very high98Very high39 Ų3944.3 Ų44.324%0.23621%0.207CC..SBendtrans-65.6119.1178.3-179.60000109.4P117 I144 S201 W205P117-V203 HydrophobicContact CB-CG1 3.88Å; P117-V203 HydrophobicContact CG-CG1 4.44Å; I144-V203 HydrophobicContact CB-CB 4.27Å; I144-V203 HydrophobicContact CB-CG1 4.29Å; I144-V203 HydrophobicContact CB-CG2 4.33Å; I144-V203 HydrophobicContact CD1-CB 4.17Å; I144-V203 HydrophobicContact CD1-CG2 4.06Å; I144-V203 HydrophobicContact CG2-CB 4.31Å; I144-V203 HydrophobicContact CG2-CG1 4.18Å; S201-V203 PolarHBondContact O-N 2.92Å; S201-V203 PolarHBondContact OG-N 2.95Å; V203-W205 HydrophobicContact CG1-CB 4.4Å; V203-W205 PolarHBondContact O-N 3.41Å
204R97.5Very high97.9Very high203 Ų20345.6 Ų45.677%0.76622%0.216SC*.  trans-84.558.3-179.6-62.8-173.8179.7175.51.2112.1E202E202-R204 PolarHBondContact O-N 3.14Å
205W98.8Very high97.9Very high3 Ų345.6 Ų45.61%0.01122%0.216CC..  trans-60.4153.9179.356.8-96.2000113.4P117 A119 I144 L198 L199 V203 L208 R287 V290P117-W205 HydrophobicContact CB-CB 4.28Å; P117-W205 CarbonylContact O-C 3.56Å; P117-W205 VanDerWaalsContact O-CA 3.29Å; P117-W205 WeakPolarHBondContact O-CA 3.46Å; A119-W205 HydrophobicContact CB-CB 3.98Å; A119-W205 HydrophobicContact CB-CD2 3.49Å; A119-W205 VanDerWaalsContact CB-CD2 3.49Å; A119-W205 HydrophobicContact CB-CE3 3.76Å; A119-W205 HydrophobicContact CB-CG 3.59Å; A119-W205 HydrophobicContact CB-CZ3 4.4Å; I144-W205 HydrophobicContact CG2-CB 4.3Å; I144-W205 HydrophobicContact CG2-CG 4.16Å; L198-W205 HydrophobicContact CB-CZ2 4.06Å; L198-W205 PolarHBondContact O-NE1 2.05Å; L199-W205 HydrophobicContact CD2-CH2 4.25Å; L199-W205 HydrophobicContact CD2-CZ2 3.85Å; L199-W205 HydrophobicContact CG-CZ2 4.44Å; V203-W205 HydrophobicContact CG1-CB 4.4Å; V203-W205 PolarHBondContact O-N 3.41Å; W205-L208 HydrophobicContact CH2-CB 4.26Å; W205-L208 HydrophobicContact CZ3-CB 3.87Å; W205-R287 HydrophobicContact CD2-CB 4.36Å; W205-R287 HydrophobicContact CD2-CG 4.18Å; W205-R287 HydrophobicContact CE3-CB 3.67Å; W205-R287 HydrophobicContact CE3-CG 3.95Å; W205-R287 HydrophobicContact CH2-CB 3.8Å; W205-R287 HydrophobicContact CH2-CG 3.56Å; W205-R287 HydrophobicContact CZ2-CB 4.45Å; W205-R287 HydrophobicContact CZ2-CG 3.8Å; W205-R287 HydrophobicContact CZ3-CB 3.36Å; W205-R287 HydrophobicContact CZ3-CG 3.65Å; W205-R287 WeakPolarHBondContact O-CD 3.3Å; W205-V290 HydrophobicContact CH2-CB 3.95Å; W205-V290 HydrophobicContact CH2-CG1 4.21Å; W205-V290 HydrophobicContact CH2-CG2 3.88Å; W205-V290 HydrophobicContact CZ3-CG2 4.36Å
206K98.9Very high97.9Very high96 Ų9645.6 Ų45.642%0.41722%0.216SC..SBendtrans-99.9-44.9-172.8-55.5-59.1-177.9177.50112.2F116 P117 R287F116-K206 HydrophobicContact CD1-CB 4.26Å; F116-K206 HydrophobicContact CD1-CG 4.19Å; F116-K206 HydrophobicContact CD2-CG 3.98Å; F116-K206 HydrophobicContact CE1-CB 3.84Å; F116-K206 HydrophobicContact CE1-CG 4.19Å; F116-K206 HydrophobicContact CE2-CB 4.18Å; F116-K206 HydrophobicContact CE2-CG 3.99Å; F116-K206 HydrophobicContact CG-CG 4.09Å; F116-K206 HydrophobicContact CZ-CB 3.81Å; F116-K206 HydrophobicContact CZ-CG 4.11Å; P117-K206 PolarHBondContact O-N 3.3Å; K206-R287 PolarHBondContact O-N 2.91Å
207Y98.9Very high97.9Very high8 Ų840 Ų403%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-132.2148.2-176.9-81.5-91000111F116 A119 L228 L231 G233 R234 V284 V285F116-Y207 AromaticContact CE1-CD2 3.98Å; F116-Y207 HydrophobicContact CE1-CD2 3.98Å; F116-Y207 AromaticContact CZ-CD2 3.83Å; F116-Y207 HydrophobicContact CZ-CD2 3.83Å; F116-Y207 HydrophobicContact CZ-CE2 4.02Å; A119-Y207 PolarHBondContact N-O 2.89Å; Y207-L228 HydrophobicContact CD1-CD2 4.03Å; Y207-L228 HydrophobicContact CD2-CB 4.02Å; Y207-L228 HydrophobicContact CD2-CD2 4.35Å; Y207-L228 HydrophobicContact CE2-CB 4.32Å; Y207-L228 HydrophobicContact CG-CB 4.42Å; Y207-L228 HydrophobicContact CG-CD1 4.44Å; Y207-L228 HydrophobicContact CG-CD2 3.91Å; Y207-L228 HydrophobicContact CG-CG 4.48Å; Y207-L231 HydrophobicContact CE1-CB 4.45Å; Y207-L231 HydrophobicContact CE1-CD1 3.9Å; Y207-L231 VanDerWaalsContact OH-CB 3.31Å; Y207-L231 WeakPolarHBondContact OH-CB 3.45Å; Y207-G233 VanDerWaalsContact OH-CA 3.24Å; Y207-G233 WeakPolarHBondContact OH-CA 3.16Å; Y207-G233 PolarHBondContact OH-N 3.09Å; Y207-R234 WeakPolarHBondContact CE1-O 3.24Å; Y207-R234 PolarHBondContact OH-N 3.42Å; Y207-R234 PolarHBondContact OH-O 3.48Å; Y207-V284 HydrophobicContact CD1-CG1 3.84Å; Y207-V284 HydrophobicContact CE1-CG1 4.36Å; Y207-V285 CarbonylContact C-O 3.02Å; Y207-V285 VanDerWaalsContact CA-O 3.29Å; Y207-V285 WeakPolarHBondContact CA-O 3.09Å; Y207-V285 VanDerWaalsContact CD1-C 3.48Å; Y207-V285 WeakPolarHBondContact CD1-O 3.24Å
208L98.9Very high97.8Very high0 Ų039 Ų390%019%0.186CC..EExtended strand (participates in β ladder)trans-109.4129.8170.4172.662.5000109.5A119 M195 L198 W205 F283 V285 V290A119-L208 HydrophobicContact CB-CB 4.46Å; A119-L208 HydrophobicContact CB-CD1 3.97Å; A119-L208 WeakPolarHBondContact O-CA 3.38Å; A119-L208 WeakPolarHBondContact O-CD1 3.42Å; M195-L208 HydrophobicContact CB-CD2 4.49Å; M195-L208 HydrophobicContact CE-CD2 3.97Å; M195-L208 HydrophobicContact CG-CD2 3.37Å; M195-L208 HydrophobicContact SD-CD2 4.36Å; L198-L208 HydrophobicContact CD1-CD1 3.59Å; L198-L208 HydrophobicContact CD1-CD2 4.48Å; W205-L208 HydrophobicContact CH2-CB 4.26Å; W205-L208 HydrophobicContact CZ3-CB 3.87Å; L208-F283 HydrophobicContact CD2-CE2 4.1Å; L208-F283 HydrophobicContact CG-CE2 4.15Å; L208-V285 HydrophobicContact CB-CG2 3.95Å; L208-V285 HydrophobicContact CD2-CG2 4.4Å; L208-V285 HydrophobicContact CG-CG2 4.43Å; L208-V285 PolarHBondContact N-O 3.4Å; L208-V285 PolarHBondContact O-N 3.28Å; L208-V290 HydrophobicContact CB-CG2 4.2Å; L208-V290 HydrophobicContact CD2-CG2 3.89Å
209L98.9Very high97.8Very high3 Ų340.1 Ų40.12%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-118.9124.7172.7-71.865.3000107.8I118 A119 Y120 S121 M224 L228 V284 L391 F392I118-L209 HydrophobicContact CG2-CD1 3.68Å; A119-L209 PolarHBondContact O-N 3.11Å; Y120-L209 VanDerWaalsContact CA-O 3.29Å; Y120-L209 WeakPolarHBondContact CA-O 3.36Å; Y120-L209 HydrophobicContact CD1-CB 4Å; Y120-L209 HydrophobicContact CE1-CB 3.97Å; Y120-L209 HydrophobicContact CE1-CD2 4.16Å; S121-L209 PolarHBondContact N-O 3.32Å; S121-L209 VanDerWaalsContact N-O 3.1Å; L209-M224 HydrophobicContact CD2-SD 4.37Å; L209-L228 HydrophobicContact CD1-CD1 4.17Å; L209-L228 HydrophobicContact CD1-CD2 4.34Å; L209-V284 HydrophobicContact CD1-CG1 4.21Å; L209-V284 HydrophobicContact CG-CG1 4.48Å; L209-V284 HydrophobicContact CG-CG2 4.18Å; L209-L391 HydrophobicContact CD2-CD1 3.58Å; L209-F392 HydrophobicContact CD2-CD2 4.44Å; L209-F392 HydrophobicContact CD2-CE2 3.77Å
210N98.8Very high97.8Very high2 Ų239.2 Ų39.21%0.01119%0.187CC..EExtended strand (participates in β ladder)trans-89.1153.5172.572.3-25.2000111.3S121 D191 A281 Y282 F283 R346S121-N210 CarbonylContact O-C 3.55Å; S121-N210 VanDerWaalsContact O-CA 3.24Å; S121-N210 WeakPolarHBondContact O-CA 3.41Å; D191-N210 WeakPolarHBondContact OD1-CB 3.42Å; D191-N210 PolarHBondContact OD2-ND2 3.39Å; N210-A281 PolarHBondContact ND2-O 3.3Å; N210-Y282 VanDerWaalsContact OD1-CA 3.28Å; N210-Y282 WeakPolarHBondContact OD1-CA 3.38Å; N210-F283 HydrophobicContact CB-CE1 4.19Å; N210-F283 HydrophobicContact CB-CE2 3.92Å; N210-F283 HydrophobicContact CB-CZ 3.66Å; N210-F283 VanDerWaalsContact ND2-CE1 3.32Å; N210-F283 WeakPolarHBondContact ND2-CE1 3.32Å; N210-F283 PolarHBondContact OD1-N 3.15Å; N210-R346 PolarHBondContact O-NH2 3.48Å
211T98.5Very high97.9Very high0 Ų033.4 Ų33.40%016%0.16CC..EExtended strand (participates in β ladder)trans-140.2160.4175.165.30000110.4S121 M122 V123 D215 F392S121-T211 PolarHBondContact O-N 2.96Å; M122-T211 WeakPolarHBondContact CG-OG1 3.35Å; V123-T211 PolarHBondContact N-O 3.08Å; T211-D215 WeakPolarHBondContact CA-OD2 3.3Å; T211-F392 HydrophobicContact CG2-CD1 4.29Å; T211-F392 HydrophobicContact CG2-CE1 3.93Å; T211-F392 HydrophobicContact CG2-CZ 4.13Å
212C94.9Very high97.9Very high20 Ų2037.7 Ų37.714%0.13517%0.172CC..EExtended strand (participates in β ladder)trans-115.6167165.774.70000110.7V123 T214 D215 Y282V123-C212 VanDerWaalsContact O-CA 3.3Å; V123-C212 WeakPolarHBondContact O-CA 3.25Å; C212-T214 PolarHBondContact O-N 3.4Å; C212-T214 PolarHBondContact SG-OG1 3.22Å; C212-D215 PolarHBondContact N-OD2 3.1Å; C212-D215 PolarHBondContact O-N 2.96Å; C212-D215 VanDerWaalsContact SG-CG 3.54Å; C212-D215 PolarHBondContact SG-OD2 3.1Å; C212-Y282 HydrophobicContact CB-CE1 4.4Å; C212-Y282 PolarHBondContact SG-OH 2.87Å; C212-Y282 VanDerWaalsContact SG-OH 3.39Å
213G91.9Very high98Very high12 Ų1230.7 Ų30.712%0.12414%0.139CC..THydrogen-bonded Turntrans-63.61.5-177.600000117.1V123V123-G213 PolarHBondContact O-N 2.85Å
214T96.8Very high98Very high39 Ų3928.9 Ų28.924%0.23913%0.128CC..THydrogen-bonded Turntrans-121.78.5176.757.90000112.9C212 N394 K395 F396C212-T214 PolarHBondContact O-N 3.4Å; C212-T214 PolarHBondContact SG-OG1 3.22Å; T214-N394 PolarHBondContact O-ND2 3.18Å; T214-N394 PolarHBondContact OG1-ND2 3.24Å; T214-N394 VanDerWaalsContact OG1-ND2 3.15Å; T214-K395 WeakPolarHBondContact O-CA 3.15Å; T214-F396 PolarHBondContact O-N 3.2Å
215D98.5Very high98.1Very high0 Ų019.2 Ų19.20%09%0.092CC..EExtended strand (participates in β ladder)trans-81.8153.3172.3-69.2-37.1000111.2T211 C212 R346 A393 N394T211-D215 WeakPolarHBondContact CA-OD2 3.3Å; C212-D215 PolarHBondContact N-OD2 3.1Å; C212-D215 PolarHBondContact O-N 2.96Å; C212-D215 VanDerWaalsContact SG-CG 3.54Å; C212-D215 PolarHBondContact SG-OD2 3.1Å; D215-R346 WeakPolarHBondContact OD1-CD 3.45Å; D215-R346 IonicContact OD1-CZ 3.36Å; D215-R346 IonicContact OD1-NE 3.65Å; D215-R346 PolarHBondContact OD1-NE 3.46Å; D215-R346 IonicContact OD1-NH1 3.76Å; D215-R346 IonicContact OD2-CZ 3.53Å; D215-R346 IonicContact OD2-NE 2.93Å; D215-R346 PolarHBondContact OD2-NE 2.85Å; D215-R346 IonicContact OD2-NH1 2.83Å; D215-R346 PolarHBondContact OD2-NH1 2.86Å; D215-R346 VanDerWaalsContact OD2-NH1 3.15Å; D215-R346 IonicContact OD2-NH2 3.89Å; D215-R346 PolarHBondContact OD2-NH2 3.05Å; D215-R346 VanDerWaalsContact OD2-NH2 3.14Å; D215-A393 WeakPolarHBondContact CA-O 3.43Å; D215-N394 WeakPolarHBondContact OD1-CB 3.28Å; D215-N394 PolarHBondContact OD1-ND2 2.61Å
216F98.8Very high98.1Very high0 Ų022.7 Ų22.70%011%0.109CC..EExtended strand (participates in β ladder)trans-142.2142.6169.7-144.9-102.1000110.7M130 R133 S137 F392 A393 F396 I405 L408 E409M130-F216 HydrophobicContact CE-CD2 4.42Å; R133-F216 HydrophobicContact CB-CE2 4.14Å; S137-F216 WeakPolarHBondContact OG-CZ 3.4Å; F216-F392 WeakPolarHBondContact O-CA 3.31Å; F216-A393 PolarHBondContact N-O 3.16Å; F216-A393 VanDerWaalsContact N-O 3.16Å; F216-A393 PolarHBondContact O-N 2.89Å; F216-F396 HydrophobicContact CB-CD2 3.32Å; F216-F396 HydrophobicContact CB-CE2 3.44Å; F216-F396 VanDerWaalsContact CB-CE2 3.44Å; F216-F396 HydrophobicContact CB-CG 3.95Å; F216-F396 HydrophobicContact CB-CZ 4.16Å; F216-F396 HydrophobicContact CG-CD2 4.48Å; F216-I405 HydrophobicContact CD1-CG2 4.45Å; F216-I405 HydrophobicContact CD2-CG2 3.98Å; F216-I405 HydrophobicContact CE1-CG2 4.08Å; F216-I405 HydrophobicContact CE2-CG2 3.56Å; F216-I405 HydrophobicContact CG-CG2 4.4Å; F216-I405 HydrophobicContact CZ-CG2 3.61Å; F216-L408 HydrophobicContact CD1-CB 3.85Å; F216-L408 HydrophobicContact CD1-CD1 3.89Å; F216-L408 HydrophobicContact CE1-CB 3.81Å; F216-E409 HydrophobicContact CE1-CG 3.85Å; F216-E409 HydrophobicContact CZ-CG 3.44Å; F216-E409 VanDerWaalsContact CZ-CG 3.44Å
217P98.8Very high98Very high0 Ų019.4 Ų19.40%010%0.1CC..EExtended strand (participates in β ladder)trans-65.9148.717628.9-36.7000111.1I138 M224 F392 L412I138-P217 HydrophobicContact CG2-CB 4.01Å; I138-P217 HydrophobicContact CG2-CG 3.79Å; P217-M224 HydrophobicContact CB-CE 3.64Å; P217-F392 HydrophobicContact CB-CD1 4.15Å; P217-F392 HydrophobicContact CB-CE1 3.91Å; P217-F392 HydrophobicContact CB-CZ 4.44Å; P217-L412 HydrophobicContact CB-CD1 4.19Å; P217-L412 HydrophobicContact CG-CD1 4.04Å; P217-L412 WeakPolarHBondContact O-CD1 3.34Å
218I98.4Very high98Very high2 Ų219 Ų191%0.0110%0.098CC..SBendtrans-12417.1169.458.6159.4000111.4V347 L385 Q388 H390 L391 A393 L408I218-V347 HydrophobicContact CD1-CG1 4.08Å; I218-L385 VanDerWaalsContact CD1-O 3.26Å; I218-L385 WeakPolarHBondContact CD1-O 3.47Å; I218-L385 HydrophobicContact CG2-CB 4.37Å; I218-Q388 HydrophobicContact CD1-CB 4.16Å; I218-H390 HydrophobicContact CD1-CB 4.18Å; I218-H390 VanDerWaalsContact CD1-O 3.22Å; I218-H390 WeakPolarHBondContact CD1-O 3.5Å; I218-H390 VanDerWaalsContact CG1-O 3.25Å; I218-H390 WeakPolarHBondContact CG1-O 3.42Å; I218-L391 PolarHBondContact N-O 3.4Å; I218-A393 HydrophobicContact CG2-CB 3.81Å; I218-L408 HydrophobicContact CG2-CD1 4.47Å; I218-L408 HydrophobicContact CG2-CD2 4.33Å
219K98.4Very high98Very high25 Ų2523.2 Ų23.211%0.10912%0.116CC..SBendtrans-141.7146.8177.3-64.6-62.8170.5-61.60108.6E223 M224 Q388 H390 L391K219-E223 HydrophobicContact CB-CB 3.95Å; K219-E223 HydrophobicContact CD-CB 4.11Å; K219-E223 HydrophobicContact CG-CB 4.46Å; K219-M224 HydrophobicContact CB-CE 4.33Å; K219-M224 HydrophobicContact CB-CG 3.97Å; K219-M224 VanDerWaalsContact O-CE 3.32Å; K219-M224 WeakPolarHBondContact O-CE 3.43Å; K219-Q388 WeakPolarHBondContact CE-O 3.4Å; K219-Q388 PolarHBondContact NZ-O 3.33Å; K219-H390 WeakPolarHBondContact CG-O 3.34Å; K219-H390 PolarHBondContact NZ-O 3.38Å; K219-L391 HydrophobicContact CG-CD2 4.27Å
220T98.5Very high98Very high9 Ų928.4 Ų28.46%0.05515%0.148CC..  trans-70.3161.5169.2590000110.9R222 E223 M224 L412 K415 A416T220-R222 VanDerWaalsContact C-N 3.25Å; T220-R222 PolarHBondContact O-N 2.88Å; T220-E223 PolarHBondContact N-OE2 3.04Å; T220-E223 PolarHBondContact O-N 3.28Å; T220-E223 VanDerWaalsContact O-N 3.12Å; T220-E223 WeakPolarHBondContact OG1-CB 3.46Å; T220-E223 VanDerWaalsContact OG1-CG 3.3Å; T220-E223 WeakPolarHBondContact OG1-CG 3.28Å; T220-E223 PolarHBondContact OG1-N 2.88Å; T220-E223 PolarHBondContact OG1-OE2 3.47Å; T220-M224 WeakPolarHBondContact O-CG 3.42Å; T220-M224 PolarHBondContact O-N 3.46Å; T220-L412 HydrophobicContact CG2-CB 4.44Å; T220-L412 HydrophobicContact CG2-CD2 4.13Å; T220-L412 WeakPolarHBondContact CG2-O 3.06Å; T220-K415 HydrophobicContact CG2-CB 3.83Å; T220-K415 HydrophobicContact CG2-CD 4.19Å; T220-K415 HydrophobicContact CG2-CG 3.85Å; T220-A416 HydrophobicContact CG2-CB 4.09Å
221N98.7Very high97.9Very high20 Ų2029.4 Ų29.411%0.10715%0.153CC..Hα-helixtrans-55.8-41.7174.9-178.976.2000111.6E113 N143 E223 M224 V225E113-N221 WeakPolarHBondContact CG-ND2 3.41Å; E113-N221 WeakPolarHBondContact OE1-CB 3.1Å; E113-N221 PolarHBondContact OE1-ND2 3.48Å; N143-N221 PolarHBondContact ND2-OD1 3.45Å; N221-E223 PolarHBondContact O-N 3.23Å; N221-M224 WeakPolarHBondContact O-CB 3.41Å; N221-M224 PolarHBondContact O-N 2.85Å; N221-V225 WeakPolarHBondContact O-CG2 3.42Å; N221-V225 PolarHBondContact O-N 2.89Å
222R98.1Very high97.9Very high121 Ų12136.1 Ų36.146%0.45719%0.189SC..Hα-helixtrans-57.2-47.9173.3-171.5174.8-180-166.7-2.4113.2E113 T220 M224 V225 M226E113-R222 HydrophobicContact CG-CB 4.04Å; E113-R222 HydrophobicContact CG-CG 4.36Å; E113-R222 PolarHBondContact OE1-N 2.8Å; E113-R222 VanDerWaalsContact OE1-N 3.09Å; T220-R222 VanDerWaalsContact C-N 3.25Å; T220-R222 PolarHBondContact O-N 2.88Å; R222-M224 VanDerWaalsContact C-N 3.33Å; R222-M224 PolarHBondContact O-N 2.99Å; R222-V225 PolarHBondContact O-N 2.87Å; R222-M226 HydrophobicContact CG-CE 3.8Å; R222-M226 HydrophobicContact CG-SD 4.47Å; R222-M226 VanDerWaalsContact NE-CE 3.29Å; R222-M226 WeakPolarHBondContact O-CG 3.3Å; R222-M226 PolarHBondContact O-N 3.42Å
223E98.4Very high98Very high42 Ų4237.1 Ų37.120%0.19620%0.203CC..Hα-helixtrans-64-38.5176.5-74.5170.2119.100112.2K219 T220 N221 M226 A227 K415K219-E223 HydrophobicContact CB-CB 3.95Å; K219-E223 HydrophobicContact CD-CB 4.11Å; K219-E223 HydrophobicContact CG-CB 4.46Å; T220-E223 PolarHBondContact N-OE2 3.04Å; T220-E223 PolarHBondContact O-N 3.28Å; T220-E223 VanDerWaalsContact O-N 3.12Å; T220-E223 WeakPolarHBondContact OG1-CB 3.46Å; T220-E223 VanDerWaalsContact OG1-CG 3.3Å; T220-E223 WeakPolarHBondContact OG1-CG 3.28Å; T220-E223 PolarHBondContact OG1-N 2.88Å; T220-E223 PolarHBondContact OG1-OE2 3.47Å; N221-E223 PolarHBondContact O-N 3.23Å; E223-M226 PolarHBondContact O-N 2.89Å; E223-A227 WeakPolarHBondContact O-CB 3.5Å; E223-A227 PolarHBondContact O-N 2.7Å; E223-K415 WeakPolarHBondContact OE1-CE 3.18Å; E223-K415 IonicContact OE1-NZ 3.7Å; E223-K415 PolarHBondContact OE1-NZ 3.5Å; E223-K415 WeakPolarHBondContact OE2-CE 3.42Å; E223-K415 IonicContact OE2-NZ 2.65Å
224M98.8Very high98.3Very high2 Ų243.5 Ų43.51%0.0122%0.223CC..Hα-helixtrans-61.1-48.2172.9-64.4-170.5-165.400110.6I118 Y120 L209 P217 K219 T220 N221 R222 M226 A227 L228 L391 F392I118-M224 HydrophobicContact CD1-CB 4.02Å; Y120-M224 PolarHBondContact OH-SD 2.95Å; Y120-M224 VanDerWaalsContact OH-SD 3.38Å; L209-M224 HydrophobicContact CD2-SD 4.37Å; P217-M224 HydrophobicContact CB-CE 3.64Å; K219-M224 HydrophobicContact CB-CE 4.33Å; K219-M224 HydrophobicContact CB-CG 3.97Å; K219-M224 VanDerWaalsContact O-CE 3.32Å; K219-M224 WeakPolarHBondContact O-CE 3.43Å; T220-M224 WeakPolarHBondContact O-CG 3.42Å; T220-M224 PolarHBondContact O-N 3.46Å; N221-M224 WeakPolarHBondContact O-CB 3.41Å; N221-M224 PolarHBondContact O-N 2.85Å; R222-M224 VanDerWaalsContact C-N 3.33Å; R222-M224 PolarHBondContact O-N 2.99Å; M224-M226 VanDerWaalsContact C-N 3.31Å; M224-M226 PolarHBondContact O-N 2.96Å; M224-A227 PolarHBondContact O-N 3.08Å; M224-L228 WeakPolarHBondContact O-CB 3.43Å; M224-L228 WeakPolarHBondContact O-CG 3.35Å; M224-L228 PolarHBondContact O-N 3.14Å; M224-L391 HydrophobicContact CG-CB 4.4Å; M224-L391 HydrophobicContact CG-CD2 4.19Å; M224-F392 HydrophobicContact CE-CD2 4.36Å; M224-F392 HydrophobicContact CE-CE1 4.38Å; M224-F392 HydrophobicContact CE-CE2 3.68Å; M224-F392 HydrophobicContact CE-CZ 3.68Å; M224-F392 HydrophobicContact SD-CE2 3.9Å; M224-F392 HydrophobicContact SD-CZ 4.19Å
225V98.8Very high98.4Very high0 Ų042.1 Ų42.10%021%0.214CC..Hα-helixtrans-55.4-46.6176166.30000111.2E112 E113 F116 I118 N221 R222 L228 K229E112-V225 HydrophobicContact CG-CG1 3.83Å; E113-V225 HydrophobicContact CG-CG2 4.22Å; F116-V225 HydrophobicContact CB-CG1 3.62Å; F116-V225 HydrophobicContact CB-CG2 4.16Å; F116-V225 HydrophobicContact CD1-CB 4.32Å; F116-V225 HydrophobicContact CD1-CG1 3.98Å; F116-V225 HydrophobicContact CD1-CG2 4.06Å; F116-V225 HydrophobicContact CG-CG1 3.83Å; F116-V225 HydrophobicContact CG-CG2 4.49Å; I118-V225 HydrophobicContact CD1-CG2 4.02Å; N221-V225 WeakPolarHBondContact O-CG2 3.42Å; N221-V225 PolarHBondContact O-N 2.89Å; R222-V225 PolarHBondContact O-N 2.87Å; V225-L228 PolarHBondContact O-N 3.25Å; V225-K229 HydrophobicContact CG1-CD 4.23Å; V225-K229 WeakPolarHBondContact O-CG 3.29Å; V225-K229 PolarHBondContact O-N 2.97Å
226M98.4Very high98.4Very high76 Ų7642.8 Ų42.837%0.37422%0.219SC..Hα-helixtrans-60.9-48.6177.7-70.9175.1177.500112E112 R222 E223 M224 L228 K229 V230E112-M226 WeakPolarHBondContact OE2-CE 3.24Å; R222-M226 HydrophobicContact CG-CE 3.8Å; R222-M226 HydrophobicContact CG-SD 4.47Å; R222-M226 VanDerWaalsContact NE-CE 3.29Å; R222-M226 WeakPolarHBondContact O-CG 3.3Å; R222-M226 PolarHBondContact O-N 3.42Å; E223-M226 PolarHBondContact O-N 2.89Å; M224-M226 VanDerWaalsContact C-N 3.31Å; M224-M226 PolarHBondContact O-N 2.96Å; M226-L228 VanDerWaalsContact C-N 3.33Å; M226-L228 PolarHBondContact O-N 3.15Å; M226-K229 PolarHBondContact O-N 2.93Å; M226-V230 WeakPolarHBondContact O-CG2 3.45Å; M226-V230 PolarHBondContact O-N 3.48Å
227A98.4Very high98.4Very high27 Ų2743 Ų4322%0.22322%0.22CC..Hα-helixtrans-61.6-41.2178.400000112.1E223 M224 V230 L231 L344 L391E223-A227 WeakPolarHBondContact O-CB 3.5Å; E223-A227 PolarHBondContact O-N 2.7Å; M224-A227 PolarHBondContact O-N 3.08Å; A227-V230 WeakPolarHBondContact O-CB 3.25Å; A227-V230 PolarHBondContact O-N 3Å; A227-L231 PolarHBondContact O-N 2.94Å; A227-L344 HydrophobicContact CB-CD1 4.42Å; A227-L391 HydrophobicContact CB-CD2 3.95Å
228L98.8Very high98.4Very high0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-70.1-34179.4-65.5171.7000112.7F116 I118 Y207 L209 M224 V225 M226 V230 L231 V284 L391F116-L228 HydrophobicContact CE1-CB 3.59Å; F116-L228 HydrophobicContact CE1-CD1 4.17Å; F116-L228 HydrophobicContact CZ-CB 3.94Å; I118-L228 HydrophobicContact CD1-CD1 3.61Å; I118-L228 HydrophobicContact CG1-CD1 3.88Å; Y207-L228 HydrophobicContact CD1-CD2 4.03Å; Y207-L228 HydrophobicContact CD2-CB 4.02Å; Y207-L228 HydrophobicContact CD2-CD2 4.35Å; Y207-L228 HydrophobicContact CE2-CB 4.32Å; Y207-L228 HydrophobicContact CG-CB 4.42Å; Y207-L228 HydrophobicContact CG-CD1 4.44Å; Y207-L228 HydrophobicContact CG-CD2 3.91Å; Y207-L228 HydrophobicContact CG-CG 4.48Å; L209-L228 HydrophobicContact CD1-CD1 4.17Å; L209-L228 HydrophobicContact CD1-CD2 4.34Å; M224-L228 WeakPolarHBondContact O-CB 3.43Å; M224-L228 WeakPolarHBondContact O-CG 3.35Å; M224-L228 PolarHBondContact O-N 3.14Å; V225-L228 PolarHBondContact O-N 3.25Å; M226-L228 VanDerWaalsContact C-N 3.33Å; M226-L228 PolarHBondContact O-N 3.15Å; L228-V230 VanDerWaalsContact C-N 3.3Å; L228-V230 PolarHBondContact O-N 2.98Å; L228-L231 HydrophobicContact CD2-CD1 4.01Å; L228-L231 WeakPolarHBondContact O-CB 3.36Å; L228-L231 PolarHBondContact O-N 2.84Å; L228-V284 HydrophobicContact CD2-CG1 3.19Å; L228-L391 HydrophobicContact CD2-CD1 4.21Å
229K98.5Very high98.4Very high87 Ų8744.1 Ų44.138%0.37823%0.225SC..Hα-helixtrans-60.8-39.5172.4-79.3179176.7-173.40111.8E112 F116 V225 M226 L231 N232E112-K229 IonicContact OE1-NZ 2.69Å; E112-K229 PolarHBondContact OE1-NZ 2.8Å; F116-K229 HydrophobicContact CD2-CD 4.36Å; F116-K229 HydrophobicContact CD2-CG 3.72Å; F116-K229 HydrophobicContact CE2-CG 3.46Å; F116-K229 VanDerWaalsContact CE2-CG 3.46Å; F116-K229 HydrophobicContact CG-CG 4.43Å; F116-K229 HydrophobicContact CZ-CG 3.98Å; V225-K229 HydrophobicContact CG1-CD 4.23Å; V225-K229 WeakPolarHBondContact O-CG 3.29Å; V225-K229 PolarHBondContact O-N 2.97Å; M226-K229 PolarHBondContact O-N 2.93Å; K229-L231 PolarHBondContact O-N 3.32Å; K229-N232 PolarHBondContact O-N 2.97Å
230V98.1Very high98.4Very high113 Ų11346.2 Ų46.269%0.68524%0.235SC*.Hα-helixtrans-62.8-30177.71740000112.4M226 A227 L228 N232M226-V230 WeakPolarHBondContact O-CG2 3.45Å; M226-V230 PolarHBondContact O-N 3.48Å; A227-V230 WeakPolarHBondContact O-CB 3.25Å; A227-V230 PolarHBondContact O-N 3Å; L228-V230 VanDerWaalsContact C-N 3.3Å; L228-V230 PolarHBondContact O-N 2.98Å; V230-N232 PolarHBondContact O-N 2.82Å
231L98.1Very high98.4Very high22 Ų2250 Ų5012%0.11526%0.259CS..Hα-helixtrans-63.7-26175.7-64.6-180000112.6Y207 A227 L228 K229 G233 R234 V284 L344Y207-L231 HydrophobicContact CE1-CB 4.45Å; Y207-L231 HydrophobicContact CE1-CD1 3.9Å; Y207-L231 VanDerWaalsContact OH-CB 3.31Å; Y207-L231 WeakPolarHBondContact OH-CB 3.45Å; A227-L231 PolarHBondContact O-N 2.94Å; L228-L231 HydrophobicContact CD2-CD1 4.01Å; L228-L231 WeakPolarHBondContact O-CB 3.36Å; L228-L231 PolarHBondContact O-N 2.84Å; K229-L231 PolarHBondContact O-N 3.32Å; L231-G233 VanDerWaalsContact C-N 3.32Å; L231-G233 PolarHBondContact O-N 3.38Å; L231-R234 WeakPolarHBondContact CB-O 3.29Å; L231-R234 VanDerWaalsContact O-CB 3.24Å; L231-R234 WeakPolarHBondContact O-CB 3.23Å; L231-R234 PolarHBondContact O-N 3.19Å; L231-R234 PolarHBondContact O-NE 3.14Å; L231-V284 HydrophobicContact CD1-CG1 3.87Å; L231-L344 HydrophobicContact CD1-CD1 4.23Å; L231-L344 HydrophobicContact CD2-CD1 3.97Å; L231-L344 HydrophobicContact CG-CD1 4.21Å
232N97.3Very high98.2Very high142 Ų14249.5 Ų49.576%0.75926%0.256SS*.THydrogen-bonded Turntrans48.149.8175.1-168.732.7000113.3K229 V230 R234K229-N232 PolarHBondContact O-N 2.97Å; V230-N232 PolarHBondContact O-N 2.82Å; N232-R234 VanDerWaalsContact C-N 3.34Å; N232-R234 PolarHBondContact O-N 2.83Å
233G97.3Very high98Very high40 Ų4046.4 Ų46.441%0.41225%0.253SS..THydrogen-bonded Turntrans87.3-8.9-179.700000115.3Y207 L231 G328Y207-G233 VanDerWaalsContact OH-CA 3.24Å; Y207-G233 WeakPolarHBondContact OH-CA 3.16Å; Y207-G233 PolarHBondContact OH-N 3.09Å; L231-G233 VanDerWaalsContact C-N 3.32Å; L231-G233 PolarHBondContact O-N 3.38Å; G233-G328 WeakPolarHBondContact O-CA 3.27Å
234R98.4Very high97.7Very high146 Ų14650.4 Ų50.455%0.55128%0.28SS*.  trans-74.6157.2169-63.9-179.4-76.7179.5-4.1111.2Y207 L231 N232Y207-R234 WeakPolarHBondContact CE1-O 3.24Å; Y207-R234 PolarHBondContact OH-N 3.42Å; Y207-R234 PolarHBondContact OH-O 3.48Å; L231-R234 WeakPolarHBondContact CB-O 3.29Å; L231-R234 VanDerWaalsContact O-CB 3.24Å; L231-R234 WeakPolarHBondContact O-CB 3.23Å; L231-R234 PolarHBondContact O-N 3.19Å; L231-R234 PolarHBondContact O-NE 3.14Å; N232-R234 VanDerWaalsContact C-N 3.34Å; N232-R234 PolarHBondContact O-N 2.83Å
235N98.8Very high97.3Very high10 Ų1055.3 Ų55.35%0.05332%0.315CS..  trans-94.5167.9172.7-46.7-46.6000110.3M237 V284 V285 S286 F289 Q321 P327 G328N235-M237 HydrophobicContact CB-CE 4.15Å; N235-V284 CarbonylContact C-O 3.53Å; N235-V284 WeakPolarHBondContact CA-O 3.36Å; N235-V284 WeakPolarHBondContact CB-O 3.49Å; N235-V285 HydrophobicContact CB-CG1 4.23Å; N235-S286 PolarHBondContact OD1-N 3.33Å; N235-S286 PolarHBondContact OD1-OG 3.16Å; N235-F289 VanDerWaalsContact ND2-CD2 3.3Å; N235-F289 WeakPolarHBondContact ND2-CD2 3.4Å; N235-Q321 VanDerWaalsContact CB-OE1 3.29Å; N235-Q321 PolarHBondContact ND2-OE1 3.04Å; N235-P327 PolarHBondContact ND2-O 3.43Å; N235-G328 PolarHBondContact N-O 2.92Å; N235-G328 VanDerWaalsContact N-O 3.14Å; N235-G328 VanDerWaalsContact ND2-C 3.26Å; N235-G328 PolarHBondContact ND2-O 3.19Å
236S98.6Very high97.1Very high14 Ų1458.1 Ų58.110%0.09833%0.327CS..EExtended strand (participates in β ladder)trans-141.3116.2172.7-170.30000110.6V284 L344S236-V284 PolarHBondContact N-O 3.3Å; S236-V284 WeakPolarHBondContact O-CB 3.44Å; S236-V284 PolarHBondContact O-N 2.86Å; S236-L344 PolarHBondContact OG-N 2.96Å
237M98.6Very high96.9Very high4 Ų458.5 Ų58.52%0.0233%0.326CS..EExtended strand (participates in β ladder)trans-159.2163.4176.666.3-171.780.800109.3N235 T239 F283 V285 W317 Q321 A343N235-M237 HydrophobicContact CB-CE 4.15Å; M237-T239 PolarHBondContact O-N 3.31Å; M237-F283 HydrophobicContact CB-CB 3.97Å; M237-F283 HydrophobicContact CE-CB 3.9Å; M237-F283 HydrophobicContact SD-CB 4.2Å; M237-V285 HydrophobicContact CE-CG1 3.32Å; M237-W317 VanDerWaalsContact SD-C 3.59Å; M237-W317 HydrophobicContact SD-CB 3.79Å; M237-W317 VanDerWaalsContact SD-O 3.37Å; M237-Q321 HydrophobicContact CE-CB 4.15Å; M237-Q321 HydrophobicContact CE-CG 4.4Å; M237-Q321 HydrophobicContact CG-CB 4.13Å; M237-Q321 HydrophobicContact CG-CG 4.03Å; M237-Q321 HydrophobicContact SD-CB 3.77Å; M237-Q321 HydrophobicContact SD-CG 4.27Å; M237-A343 VanDerWaalsContact C-CB 3.48Å
238E98.8Very high96.6Very high25 Ų2558.2 Ų58.212%0.11733%0.326CS..  trans-65.1128.9172-172.8-17115600109.6N280 A318 T338 D340E238-N280 WeakPolarHBondContact OE2-CB 3.48Å; E238-N280 PolarHBondContact OE2-ND2 3.06Å; E238-A318 WeakPolarHBondContact O-CB 3.44Å; E238-T338 CarbonylContact C-O 3.52Å; E238-T338 WeakPolarHBondContact CA-O 3.37Å; E238-D340 HydrophobicContact CG-CB 4.44Å
239T98.6Very high96.5Very high1 Ų161.1 Ų61.11%0.00634%0.337CS..BIsolated β-bridgetrans-155.8103.5176.1174.80000109.9M237 S278 A318 Q321 R322 D337 T338M237-T239 PolarHBondContact O-N 3.31Å; T239-S278 CarbonylContact C-O 3.55Å; T239-S278 WeakPolarHBondContact CA-O 3.5Å; T239-A318 PolarHBondContact OG1-O 2.71Å; T239-Q321 HydrophobicContact CG2-CB 4.42Å; T239-Q321 HydrophobicContact CG2-CG 3.82Å; T239-R322 PolarHBondContact O-NH1 3.08Å; T239-R322 VanDerWaalsContact O-NH1 3.14Å; T239-R322 VanDerWaalsContact OG1-CD 3.3Å; T239-R322 WeakPolarHBondContact OG1-CD 3.48Å; T239-R322 WeakPolarHBondContact OG1-CG 3.35Å; T239-R322 PolarHBondContact OG1-NH1 3.2Å; T239-D337 VanDerWaalsContact O-CA 3.32Å; T239-D337 WeakPolarHBondContact O-CA 3.44Å; T239-T338 PolarHBondContact N-O 2.92Å; T239-T338 PolarHBondContact O-N 2.89Å
240E98.4Very high96.4Very high70 Ų7058 Ų5833%0.32732%0.323SS..EExtended strand (participates in β ladder)trans-128.7156.1-176.6-60.5-173.399.100110.8T242 S278 D337E240-T242 PolarHBondContact O-N 3.16Å; E240-S278 PolarHBondContact N-O 3.1Å; E240-S278 PolarHBondContact O-N 2.65Å; E240-D337 HydrophobicContact CG-CB 4.33Å
241V97.5Very high96.3Very high89 Ų8956.2 Ų56.254%0.53931%0.307SS..EExtended strand (participates in β ladder)trans-54.3125.6171.3170.50000109.7S243 F277 D337V241-S243 PolarHBondContact O-N 3.44Å; V241-F277 HydrophobicContact CG2-CE1 4.22Å; V241-D337 WeakPolarHBondContact CG2-OD2 3.33Å; V241-D337 PolarHBondContact N-OD2 3.45Å
242T96.1Very high96.2Very high8 Ų858.5 Ų58.55%0.04932%0.315CS..PPolyproline II helixtrans-65.1127.6-177.4-61.10000112.7E240 K246 K247 W250 M276 F277 S278E240-T242 PolarHBondContact O-N 3.16Å; T242-K246 HydrophobicContact CG2-CB 3.91Å; T242-K247 HydrophobicContact CG2-CG 3.57Å; T242-K247 WeakPolarHBondContact O-CE 3.25Å; T242-W250 HydrophobicContact CG2-CH2 3.15Å; T242-W250 HydrophobicContact CG2-CZ2 3.55Å; T242-W250 HydrophobicContact CG2-CZ3 4.2Å; T242-W250 WeakPolarHBondContact OG1-CH2 3.26Å; T242-M276 PolarHBondContact OG1-O 3.31Å; T242-F277 VanDerWaalsContact OG1-C 3.25Å; T242-F277 WeakPolarHBondContact OG1-CA 3.41Å; T242-S278 WeakPolarHBondContact CB-OG 3.24Å; T242-S278 WeakPolarHBondContact CG2-OG 3.35Å; T242-S278 PolarHBondContact OG1-N 2.93Å; T242-S278 PolarHBondContact OG1-OG 2.86Å
243S93.8Very high96.2Very high56 Ų5654.3 Ų54.339%0.39229%0.29SS..PPolyproline II helixtrans-63.9149.6170.272.50000113V241 S245 K246 K247V241-S243 PolarHBondContact O-N 3.44Å; S243-S245 PolarHBondContact O-N 2.97Å; S243-S245 VanDerWaalsContact O-N 3.12Å; S243-S245 PolarHBondContact OG-OG 3.5Å; S243-K246 PolarHBondContact O-N 2.64Å; S243-K246 PolarHBondContact OG-N 3.41Å; S243-K247 PolarHBondContact O-N 3.35Å
244V92.3Very high96.2Very high126 Ų12652.9 Ų52.976%0.76427%0.273SS*.Hα-helixtrans-54.7-37.7-179.5177.40000112.2K246 K247V244-K246 PolarHBondContact O-N 3.16Å; V244-K247 PolarHBondContact O-N 3.34Å
245S90.4Very high96Very high106 Ų10651 Ų5174%0.74127%0.274SS*.Hα-helixtrans-66.5-33.5179.656.70000113.7S243S243-S245 PolarHBondContact O-N 2.97Å; S243-S245 VanDerWaalsContact O-N 3.12Å; S243-S245 PolarHBondContact OG-OG 3.5Å
246K94.3Very high95.6Very high58 Ų5854.2 Ų54.225%0.25229%0.293SS..Hα-helixtrans-79.5-23.5179.6-74.7-166.8176.8-169.20113.3T242 S243 V244 G248 R249 W250 E314T242-K246 HydrophobicContact CG2-CB 3.91Å; S243-K246 PolarHBondContact O-N 2.64Å; S243-K246 PolarHBondContact OG-N 3.41Å; V244-K246 PolarHBondContact O-N 3.16Å; K246-G248 PolarHBondContact O-N 3.15Å; K246-G248 VanDerWaalsContact O-N 3.11Å; K246-R249 WeakPolarHBondContact O-CB 3.3Å; K246-R249 WeakPolarHBondContact O-CG 3.27Å; K246-R249 PolarHBondContact O-N 3.37Å; K246-R249 VanDerWaalsContact O-N 3.09Å; K246-W250 WeakPolarHBondContact O-CZ3 3.45Å; K246-E314 IonicContact NZ-OE2 2.64Å
247K93.8Very high94.8Very high85 Ų8556.6 Ų56.637%0.3731%0.314SS..Hα-helixtrans-57.6-28.8179.6-67.4-178.1-176.3-177.80113.5T242 S243 V244 R249 W250 Q251T242-K247 HydrophobicContact CG2-CG 3.57Å; T242-K247 WeakPolarHBondContact O-CE 3.25Å; S243-K247 PolarHBondContact O-N 3.35Å; V244-K247 PolarHBondContact O-N 3.34Å; K247-R249 PolarHBondContact O-N 2.9Å; K247-R249 VanDerWaalsContact O-N 3.11Å; K247-W250 HydrophobicContact CB-CZ2 4.32Å; K247-W250 HydrophobicContact CG-CZ2 4.03Å; K247-W250 PolarHBondContact O-N 3.47Å; K247-Q251 VanDerWaalsContact O-CG 3.27Å; K247-Q251 WeakPolarHBondContact O-CG 3.44Å; K247-Q251 PolarHBondContact O-N 2.84Å
248G92.8Very high93.8Very high21 Ų2164.8 Ų64.822%0.21636%0.358CS..Hα-helixtrans-59.9-20.1178.300000114.4K246 W250K246-G248 PolarHBondContact O-N 3.15Å; K246-G248 VanDerWaalsContact O-N 3.11Å; G248-W250 VanDerWaalsContact C-N 3.31Å; G248-W250 PolarHBondContact O-N 3.11Å
249R96.1Very high93.2Very high61 Ų6164.9 Ų64.923%0.2337%0.366CS..Hα-helixtrans-68.7-23.6-177.6-70.5-176.7177.7-1692.7114.7K246 K247 H254 Y310 E314K246-R249 WeakPolarHBondContact O-CB 3.3Å; K246-R249 WeakPolarHBondContact O-CG 3.27Å; K246-R249 PolarHBondContact O-N 3.37Å; K246-R249 VanDerWaalsContact O-N 3.09Å; K247-R249 PolarHBondContact O-N 2.9Å; K247-R249 VanDerWaalsContact O-N 3.11Å; R249-H254 PolarHBondContact O-CE1 2.89Å; R249-Y310 WeakPolarHBondContact CB-O 3.46Å; R249-Y310 HydrophobicContact CG-CD1 4Å; R249-Y310 PolarHBondContact O-N 3.42Å; R249-E314 IonicContact CZ-OE2 3.4Å; R249-E314 IonicContact NH1-OE1 3.28Å; R249-E314 IonicContact NH1-OE2 2.93Å; R249-E314 PolarHBondContact NH1-OE2 3.19Å; R249-E314 IonicContact NH2-OE2 3.33Å
250W96.6Very high92.9Very high20 Ų2065.9 Ų65.98%0.07637%0.371CS..Hα-helixtrans-126.35.2179.860.183.7000113.8T242 K246 K247 G248 Y252 K267 M276 W305 T309 H315T242-W250 HydrophobicContact CG2-CH2 3.15Å; T242-W250 HydrophobicContact CG2-CZ2 3.55Å; T242-W250 HydrophobicContact CG2-CZ3 4.2Å; T242-W250 WeakPolarHBondContact OG1-CH2 3.26Å; K246-W250 WeakPolarHBondContact O-CZ3 3.45Å; K247-W250 HydrophobicContact CB-CZ2 4.32Å; K247-W250 HydrophobicContact CG-CZ2 4.03Å; K247-W250 PolarHBondContact O-N 3.47Å; G248-W250 VanDerWaalsContact C-N 3.31Å; G248-W250 PolarHBondContact O-N 3.11Å; W250-Y252 VanDerWaalsContact C-N 3.31Å; W250-K267 WeakPolarHBondContact O-CD 3.2Å; W250-M276 HydrophobicContact CD2-CE 4.39Å; W250-M276 HydrophobicContact CH2-CB 4.41Å; W250-M276 HydrophobicContact CZ2-CB 3.71Å; W250-M276 HydrophobicContact CZ2-CG 4.32Å; W250-W305 HydrophobicContact CB-CH2 3.73Å; W250-W305 HydrophobicContact CB-CZ3 4.34Å; W250-W305 AromaticContact CD1-CH2 3.92Å; W250-W305 HydrophobicContact CG-CH2 4.08Å; W250-T309 HydrophobicContact CB-CG2 3.67Å; W250-H315 HydrophobicContact CE3-CB 4.42Å; W250-H315 AromaticContact CE3-CD2 3.66Å; W250-H315 AromaticContact CE3-CE1 3.89Å; W250-H315 AromaticContact CE3-CG 3.89Å; W250-H315 AromaticContact CE3-NE2 3.64Å; W250-H315 HydrophobicContact CH2-CB 4.42Å; W250-H315 HydrophobicContact CZ3-CB 3.92Å; W250-H315 AromaticContact CZ3-CD2 3.72Å; W250-H315 AromaticContact CZ3-CG 3.84Å
251Q96.4Very high92.8Very high77 Ų7767.9 Ų67.936%0.3638%0.383SS..Hα-helixtrans-76.3-21.3174.6-80.1173.1-16.200112.8K247 R266 K267K247-Q251 VanDerWaalsContact O-CG 3.27Å; K247-Q251 WeakPolarHBondContact O-CG 3.44Å; K247-Q251 PolarHBondContact O-N 2.84Å; Q251-R266 WeakPolarHBondContact O-CA 3.39Å; Q251-R266 VanDerWaalsContact O-CG 3.26Å; Q251-R266 WeakPolarHBondContact O-CG 3.4Å; Q251-K267 PolarHBondContact O-N 3.45Å
252Y96.6Very high92.7Very high70 Ų7070.4 Ų70.428%0.27538%0.383SS..EExtended strand (participates in β ladder)trans-128.6152.5-175-63.7-91000110.9W250 H254 R262 V265 K267W250-Y252 VanDerWaalsContact C-N 3.31Å; Y252-H254 PolarHBondContact O-CE1 2.98Å; Y252-H254 PolarHBondContact O-ND1 3.16Å; Y252-R262 HydrophobicContact CG-CG 4.27Å; Y252-V265 CarbonylContact C-O 3.57Å; Y252-V265 VanDerWaalsContact CA-O 3.28Å; Y252-V265 WeakPolarHBondContact CA-O 3.49Å; Y252-K267 VanDerWaalsContact O-CD 3.25Å; Y252-K267 WeakPolarHBondContact O-CD 3.28Å
253H97Very high92.6Very high54 Ų5471.1 Ų71.125%0.2539%0.388CS..EExtended strand (participates in β ladder)trans-68.8145.8170.8-69.7-89.7000109.4T263 V265 K267 D308H253-T263 WeakPolarHBondContact CB-OG1 3.4Å; H253-T263 WeakPolarHBondContact O-CB 3.46Å; H253-T263 WeakPolarHBondContact O-CG2 3.44Å; H253-T263 PolarHBondContact O-N 2.66Å; H253-T263 PolarHBondContact O-OG1 3.12Å; H253-V265 HydrophobicContact CB-CB 4.43Å; H253-V265 PolarHBondContact CD2-O 3.14Å; H253-V265 PolarHBondContact N-O 3.25Å; H253-K267 HydrophobicContact CB-CG 4.47Å; H253-D308 IonicContact CE1-OD2 3.14Å; H253-D308 PolarHBondContact CE1-OD2 3.11Å; H253-D308 IonicContact CG-OD2 3.66Å; H253-D308 IonicContact ND1-OD1 3.72Å; H253-D308 IonicContact ND1-OD2 3.15Å; H253-D308 PolarHBondContact ND1-OD2 3.19Å
254H96.8Very high92.7Very high9 Ų975.4 Ų75.44%0.04241%0.406CS..EExtended strand (participates in β ladder)trans-124.4136.6175.4-62.171.7000110.6R249 Y252 V260 I261 R262 D308R249-H254 PolarHBondContact O-CE1 2.89Å; Y252-H254 PolarHBondContact O-CE1 2.98Å; Y252-H254 PolarHBondContact O-ND1 3.16Å; H254-V260 HydrophobicContact CB-CG1 3.51Å; H254-I261 CarbonylContact C-O 3.47Å; H254-I261 VanDerWaalsContact CA-O 3.26Å; H254-I261 WeakPolarHBondContact CA-O 3.33Å; H254-R262 WeakPolarHBondContact CD2-CA 3.29Å; H254-R262 PolarHBondContact CD2-N 3.07Å; H254-R262 WeakPolarHBondContact NE2-CB 3.42Å; H254-R262 WeakPolarHBondContact NE2-CG 3.5Å; H254-D308 WeakPolarHBondContact CB-O 3.17Å; H254-D308 PolarHBondContact N-O 2.82Å; H254-D308 PolarHBondContact ND1-O 3.29Å
255N94.6Very high93Very high108 Ų10873.6 Ų73.658%0.57840%0.395SS*.EExtended strand (participates in β ladder)trans-91.2133.9173.6-69.8-22.1000109.6I261N255-I261 PolarHBondContact N-O 3.35Å; N255-I261 PolarHBondContact O-N 2.76Å
256V88.9Confident93.3Very high76 Ų7677.4 Ų77.446%0.46139%0.393SS..EExtended strand (participates in β ladder)trans-97.3116.8175.7-173.90000108.9V181 V260V181-V256 HydrophobicContact CB-CG1 4.1Å; V181-V256 HydrophobicContact CG1-CG1 4.17Å; V181-V256 HydrophobicContact CG2-CG1 4.14Å; V256-V260 HydrophobicContact CG2-CG2 4.5Å
257A83.1Confident93.4Very high64 Ų6475.4 Ų75.453%0.52939%0.385SS..SBendtrans-128.8-125.2170.400000108.5G259A257-G259 PolarHBondContact N-O 3.01Å; A257-G259 PolarHBondContact O-N 3.28Å
258N77.1Confident93.6Very high177 Ų17775 Ų7595%0.94739%0.393SS*.SBendtrans-72.7-1.6168.9-65.4-20.3000113.2
259G86.9Confident93.8Very high27 Ų2779.3 Ų79.328%0.27842%0.417SS..SBendtrans-165.1-178.2174.600000109.3A257A257-G259 PolarHBondContact N-O 3.01Å; A257-G259 PolarHBondContact O-N 3.28Å
260V92.8Very high93.9Very high21 Ų2178.2 Ų78.213%0.12742%0.417CS..EExtended strand (participates in β ladder)trans-103.5115.5179.4-176.10000109.2Y182 A183 H254 V256 Y310Y182-V260 WeakPolarHBondContact O-CG2 3.32Å; A183-V260 HydrophobicContact CB-CG2 4.38Å; H254-V260 HydrophobicContact CB-CG1 3.51Å; V256-V260 HydrophobicContact CG2-CG2 4.5Å; V260-Y310 HydrophobicContact CB-CD2 3.87Å; V260-Y310 HydrophobicContact CB-CE2 4.08Å; V260-Y310 HydrophobicContact CG1-CD2 3.63Å; V260-Y310 HydrophobicContact CG1-CE2 4.34Å; V260-Y310 HydrophobicContact CG1-CG 4.44Å
261I94.6Very high93.9Very high112 Ų11279.9 Ų79.957%0.57443%0.431SS*.EExtended strand (participates in β ladder)trans-113123.7-175.5-57.8173.2000108.7H254 N255H254-I261 CarbonylContact C-O 3.47Å; H254-I261 VanDerWaalsContact CA-O 3.26Å; H254-I261 WeakPolarHBondContact CA-O 3.33Å; N255-I261 PolarHBondContact N-O 3.35Å; N255-I261 PolarHBondContact O-N 2.76Å
262R95.1Very high93.9Very high142 Ų14277.3 Ų77.354%0.53642%0.419SS..EExtended strand (participates in β ladder)trans-66.9133175.3-168.2-175.275.2-174.61.6110.2Y252 H254Y252-R262 HydrophobicContact CG-CG 4.27Å; H254-R262 WeakPolarHBondContact CD2-CA 3.29Å; H254-R262 PolarHBondContact CD2-N 3.07Å; H254-R262 WeakPolarHBondContact NE2-CB 3.42Å; H254-R262 WeakPolarHBondContact NE2-CG 3.5Å
263T95.8Very high93.5Very high24 Ų2478.9 Ų78.915%0.14744%0.441CS..EExtended strand (participates in β ladder)trans-93.5168.4170.474.20000110.7H253 V265H253-T263 WeakPolarHBondContact CB-OG1 3.4Å; H253-T263 WeakPolarHBondContact O-CB 3.46Å; H253-T263 WeakPolarHBondContact O-CG2 3.44Å; H253-T263 PolarHBondContact O-N 2.66Å; H253-T263 PolarHBondContact O-OG1 3.12Å; T263-V265 PolarHBondContact O-N 3.49Å; T263-V265 PolarHBondContact OG1-N 3.03Å
264D95.4Very high93.3Very high146 Ų14677.1 Ų77.178%0.78143%0.434SS*.EExtended strand (participates in β ladder)trans-84.33.4172.9-61.8-44.9000113.1
265V97.2Very high93.2Very high88 Ų8880.3 Ų80.353%0.53346%0.456SS..EExtended strand (participates in β ladder)trans-85.4119.1-179.9-170.10000109.4Y252 H253 T263Y252-V265 CarbonylContact C-O 3.57Å; Y252-V265 VanDerWaalsContact CA-O 3.28Å; Y252-V265 WeakPolarHBondContact CA-O 3.49Å; H253-V265 HydrophobicContact CB-CB 4.43Å; H253-V265 PolarHBondContact CD2-O 3.14Å; H253-V265 PolarHBondContact N-O 3.25Å; T263-V265 PolarHBondContact O-N 3.49Å; T263-V265 PolarHBondContact OG1-N 3.03Å
266R97.4Very high93.4Very high186 Ų18676.3 Ų76.370%0.70243%0.434SS*.EExtended strand (participates in β ladder)trans-74.3135.3177.4-164.9179.5-176.5178.50.9110.8Q251Q251-R266 WeakPolarHBondContact O-CA 3.39Å; Q251-R266 VanDerWaalsContact O-CG 3.26Å; Q251-R266 WeakPolarHBondContact O-CG 3.4Å
267K97.5Very high93.9Very high16 Ų1672.9 Ų72.97%0.0741%0.413CS..PPolyproline II helixtrans-74.8153.7173.7-73.6175.362.269.60111.4W250 Q251 Y252 H253 W305 D308 T309W250-K267 WeakPolarHBondContact O-CD 3.2Å; Q251-K267 PolarHBondContact O-N 3.45Å; Y252-K267 VanDerWaalsContact O-CD 3.25Å; Y252-K267 WeakPolarHBondContact O-CD 3.28Å; H253-K267 HydrophobicContact CB-CG 4.47Å; K267-W305 VanDerWaalsContact CE-CE2 3.43Å; K267-W305 WeakPolarHBondContact CE-O 3.26Å; K267-W305 PolarHBondContact NZ-O 2.94Å; K267-D308 IonicContact NZ-OD1 3.48Å; K267-D308 PolarHBondContact NZ-OD1 3.5Å; K267-D308 IonicContact NZ-OD2 2.96Å; K267-T309 HydrophobicContact CD-CG2 4.04Å
268S97.6Very high94.6Very high77 Ų7770.2 Ų70.254%0.53839%0.39SS..PPolyproline II helixtrans-61.7158.316356.90000110.9W305S268-W305 PolarHBondContact O-NE1 3.19Å
269P97.2Very high95.6Very high110 Ų11061.8 Ų61.871%0.71435%0.346SS*.PPolyproline II helixtrans-54.6149.1170-24.734.7000112
270P97.3Very high96.1Very high38 Ų3861.9 Ų61.925%0.24734%0.34CS..PPolyproline II helixtrans-53.5134.8175-20.528.1000111.1I272 M276 F302 W305P270-I272 HydrophobicContact CB-CD1 4.3Å; P270-I272 HydrophobicContact CB-CG1 3.77Å; P270-I272 PolarHBondContact O-N 2.74Å; P270-M276 HydrophobicContact CB-SD 4.23Å; P270-M276 HydrophobicContact CG-CG 3.76Å; P270-M276 HydrophobicContact CG-SD 3.98Å; P270-F302 HydrophobicContact CB-CE2 4.39Å; P270-W305 HydrophobicContact CB-CD2 4.47Å; P270-W305 HydrophobicContact CB-CE3 4.37Å; P270-W305 HydrophobicContact CB-CH2 4.09Å; P270-W305 HydrophobicContact CB-CZ2 4.17Å; P270-W305 HydrophobicContact CB-CZ3 4.18Å; P270-W305 HydrophobicContact CG-CH2 3.58Å; P270-W305 HydrophobicContact CG-CZ2 3.73Å; P270-W305 HydrophobicContact CG-CZ3 4.12Å
271P97.3Very high96.3Very high55 Ų5561.4 Ų61.436%0.35734%0.338SS..SBendtrans-8147.3-177.535.3-38.2000112.1K301 W305P271-K301 HydrophobicContact CG-CB 4.25Å; P271-W305 VanDerWaalsContact CD-CG 3.5Å; P271-W305 HydrophobicContact CG-CB 3.91Å; P271-W305 HydrophobicContact CG-CG 4.28Å
272I96.2Very high96.5Very high24 Ų2457.5 Ų57.512%0.12332%0.316CS..SBendtrans-133.4155.7-17955.9170.4000110.5P270 S274 M276 E298 F302 T319 M323P270-I272 HydrophobicContact CB-CD1 4.3Å; P270-I272 HydrophobicContact CB-CG1 3.77Å; P270-I272 PolarHBondContact O-N 2.74Å; I272-S274 WeakPolarHBondContact CD1-O 3.5Å; I272-S274 WeakPolarHBondContact CG1-O 3.47Å; I272-M276 HydrophobicContact CD1-SD 4.25Å; I272-E298 WeakPolarHBondContact CA-OE1 3.39Å; I272-E298 HydrophobicContact CG2-CG 4.14Å; I272-F302 HydrophobicContact CD1-CD2 4.07Å; I272-F302 HydrophobicContact CD1-CE2 3.94Å; I272-F302 HydrophobicContact CD1-CZ 4.3Å; I272-F302 HydrophobicContact CG1-CD2 4.34Å; I272-F302 HydrophobicContact CG2-CB 3.59Å; I272-F302 HydrophobicContact CG2-CD1 4.48Å; I272-F302 HydrophobicContact CG2-CD2 3.83Å; I272-F302 HydrophobicContact CG2-CG 3.7Å; I272-T319 HydrophobicContact CD1-CG2 3.45Å; I272-T319 VanDerWaalsContact CD1-CG2 3.45Å; I272-M323 HydrophobicContact CB-CE 4.46Å; I272-M323 HydrophobicContact CG2-CE 4.03Å; I272-M323 HydrophobicContact CG2-SD 4.26Å
273S88.7Confident96.7Very high103 Ų10350.8 Ų50.872%0.7229%0.291SS*.SBendtrans-81.7-14.5176.6550000114.6E298S273-E298 PolarHBondContact N-OE1 2.67Å
274S91.4Very high96.8Very high16 Ų1649.7 Ų49.711%0.11228%0.284CS..SBendtrans-93.3149.3-179.7-179.80000111.8I272I272-S274 WeakPolarHBondContact CD1-O 3.5Å; I272-S274 WeakPolarHBondContact CG1-O 3.47Å
275P96.1Very high97Very high77 Ų7742.8 Ų42.850%0.525%0.247SC..PPolyproline II helixtrans-57.1158.3164-21.432.9000112.2F277P275-F277 HydrophobicContact CB-CE2 3.93Å; P275-F277 HydrophobicContact CB-CZ 4.24Å; P275-F277 HydrophobicContact CG-CE2 4.43Å; P275-F277 WeakPolarHBondContact O-CD2 3.23Å; P275-F277 WeakPolarHBondContact O-CE2 3.08Å
276M97.9Very high97.1Very high24 Ų2438.9 Ų38.912%0.11822%0.224CC..PPolyproline II helixtrans-76.7141.9167.4-69.1-63.7-65.700110.6T242 W250 P270 I272 F302 W305 E306 H315 T319T242-M276 PolarHBondContact OG1-O 3.31Å; W250-M276 HydrophobicContact CD2-CE 4.39Å; W250-M276 HydrophobicContact CH2-CB 4.41Å; W250-M276 HydrophobicContact CZ2-CB 3.71Å; W250-M276 HydrophobicContact CZ2-CG 4.32Å; P270-M276 HydrophobicContact CB-SD 4.23Å; P270-M276 HydrophobicContact CG-CG 3.76Å; P270-M276 HydrophobicContact CG-SD 3.98Å; I272-M276 HydrophobicContact CD1-SD 4.25Å; M276-F302 HydrophobicContact CE-CE2 4.19Å; M276-F302 HydrophobicContact CE-CZ 3.99Å; M276-F302 HydrophobicContact SD-CE2 3.62Å; M276-F302 HydrophobicContact SD-CZ 3.76Å; M276-W305 HydrophobicContact CE-CZ3 4.32Å; M276-W305 HydrophobicContact SD-CZ3 4.38Å; M276-E306 WeakPolarHBondContact CE-OE1 3.38Å; M276-H315 HydrophobicContact CE-CB 4.06Å; M276-H315 WeakPolarHBondContact CE-ND1 3.35Å; M276-T319 HydrophobicContact SD-CG2 3.84Å
277F98.6Very high97.2Very high4 Ų432.6 Ų32.62%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-125.3159.8176.7-67.3-94.1000110.5V241 T242 P275 H315 A318 T319 R322 P332V241-F277 HydrophobicContact CG2-CE1 4.22Å; T242-F277 VanDerWaalsContact OG1-C 3.25Å; T242-F277 WeakPolarHBondContact OG1-CA 3.41Å; P275-F277 HydrophobicContact CB-CE2 3.93Å; P275-F277 HydrophobicContact CB-CZ 4.24Å; P275-F277 HydrophobicContact CG-CE2 4.43Å; P275-F277 WeakPolarHBondContact O-CD2 3.23Å; P275-F277 WeakPolarHBondContact O-CE2 3.08Å; F277-H315 VanDerWaalsContact O-CA 3.3Å; F277-H315 WeakPolarHBondContact O-CA 3.41Å; F277-H315 WeakPolarHBondContact O-CB 3.34Å; F277-A318 HydrophobicContact CB-CB 4.17Å; F277-T319 PolarHBondContact N-OG1 2.75Å; F277-T319 PolarHBondContact O-OG1 3.15Å; F277-R322 HydrophobicContact CB-CG 4.36Å; F277-R322 HydrophobicContact CD1-CG 4.02Å; F277-R322 VanDerWaalsContact CD1-NH1 3.29Å; F277-R322 HydrophobicContact CD2-CB 3.57Å; F277-R322 HydrophobicContact CD2-CG 3.51Å; F277-R322 HydrophobicContact CE1-CG 4.18Å; F277-R322 VanDerWaalsContact CE1-CZ 3.49Å; F277-R322 HydrophobicContact CE2-CB 3.42Å; F277-R322 VanDerWaalsContact CE2-CB 3.42Å; F277-R322 HydrophobicContact CE2-CG 3.69Å; F277-R322 HydrophobicContact CG-CB 4.28Å; F277-R322 HydrophobicContact CG-CG 3.69Å; F277-R322 HydrophobicContact CZ-CB 4.03Å; F277-R322 HydrophobicContact CZ-CG 4.04Å; F277-P332 HydrophobicContact CE2-CB 4Å; F277-P332 HydrophobicContact CZ-CB 3.68Å; F277-P332 WeakPolarHBondContact CZ-O 3.42Å
278S98.2Very high97.2Very high7 Ų734.3 Ų34.35%0.04922%0.217CC..EExtended strand (participates in β ladder)trans-109.7148.3177.1-69.10000111.1T239 E240 T242 A318T239-S278 CarbonylContact C-O 3.55Å; T239-S278 WeakPolarHBondContact CA-O 3.5Å; E240-S278 PolarHBondContact N-O 3.1Å; E240-S278 PolarHBondContact O-N 2.65Å; T242-S278 WeakPolarHBondContact CB-OG 3.24Å; T242-S278 WeakPolarHBondContact CG2-OG 3.35Å; T242-S278 PolarHBondContact OG1-N 2.93Å; T242-S278 PolarHBondContact OG1-OG 2.86Å; S278-A318 VanDerWaalsContact C-CB 3.46Å
279G97.9Very high97.3Very high1 Ų130.6 Ų30.61%0.0119%0.191CC..  trans-162.8-140.5171.400000110.2E314G279-E314 CarbonylContact C-O 3.56Å; G279-E314 PolarHBondContact N-O 3.24Å; G279-E314 WeakPolarHBondContact O-CB 3.35Å
280N97.3Very high97.4Very high29 Ų2925.4 Ų25.416%0.15516%0.157CC..  trans-131.5176.7176.769.256.4000111.8E238 Y282 D313E238-N280 WeakPolarHBondContact OE2-CB 3.48Å; E238-N280 PolarHBondContact OE2-ND2 3.06Å; N280-Y282 PolarHBondContact O-N 2.9Å; N280-Y282 WeakPolarHBondContact OD1-CA 3.44Å; N280-Y282 WeakPolarHBondContact OD1-CB 3.47Å; N280-Y282 PolarHBondContact OD1-N 3.4Å; N280-Y282 PolarHBondContact OD1-O 2.86Å; N280-D313 CarbonylContact C-O 3.55Å; N280-D313 VanDerWaalsContact O-O 3.09Å
281A98.3Very high97.4Very high10 Ų1027.6 Ų27.68%0.08316%0.163CC..SBendtrans-70.9-10.1-176.300000114.7N210 D313N210-A281 PolarHBondContact ND2-O 3.3Å; A281-D313 WeakPolarHBondContact CA-O 3.47Å; A281-D313 HydrophobicContact CB-CB 3.88Å; A281-D313 WeakPolarHBondContact CB-OD2 3.45Å
282Y98.6Very high97.5Very high30 Ų3027.3 Ų27.312%0.11816%0.155CC..  trans-105.8138-169.1-50.6-60.8000112.2N210 C212 N280 R346 N394N210-Y282 VanDerWaalsContact OD1-CA 3.28Å; N210-Y282 WeakPolarHBondContact OD1-CA 3.38Å; C212-Y282 HydrophobicContact CB-CE1 4.4Å; C212-Y282 PolarHBondContact SG-OH 2.87Å; C212-Y282 VanDerWaalsContact SG-OH 3.39Å; N280-Y282 PolarHBondContact O-N 2.9Å; N280-Y282 WeakPolarHBondContact OD1-CA 3.44Å; N280-Y282 WeakPolarHBondContact OD1-CB 3.47Å; N280-Y282 PolarHBondContact OD1-N 3.4Å; N280-Y282 PolarHBondContact OD1-O 2.86Å; Y282-R346 HydrophobicContact CD2-CB 3.8Å; Y282-R346 HydrophobicContact CD2-CG 3.86Å; Y282-R346 HydrophobicContact CE2-CG 4.15Å; Y282-R346 HydrophobicContact CG-CB 4.21Å; Y282-R346 HydrophobicContact CG-CG 4.45Å; Y282-N394 PolarHBondContact OH-OD1 3.08Å
283F98.8Very high97.6Very high2 Ų226.1 Ų26.11%0.00915%0.149CC..EExtended strand (participates in β ladder)trans-147.1157.2-173.954.5-106.8000113.1D191 M195 L208 N210 M237 V285 W317D191-F283 HydrophobicContact CB-CZ 4.42Å; M195-F283 HydrophobicContact CE-CE1 3.95Å; M195-F283 HydrophobicContact CE-CE2 3.66Å; M195-F283 HydrophobicContact CE-CZ 3.2Å; L208-F283 HydrophobicContact CD2-CE2 4.1Å; L208-F283 HydrophobicContact CG-CE2 4.15Å; N210-F283 HydrophobicContact CB-CE1 4.19Å; N210-F283 HydrophobicContact CB-CE2 3.92Å; N210-F283 HydrophobicContact CB-CZ 3.66Å; N210-F283 VanDerWaalsContact ND2-CE1 3.32Å; N210-F283 WeakPolarHBondContact ND2-CE1 3.32Å; N210-F283 PolarHBondContact OD1-N 3.15Å; M237-F283 HydrophobicContact CB-CB 3.97Å; M237-F283 HydrophobicContact CE-CB 3.9Å; M237-F283 HydrophobicContact SD-CB 4.2Å; F283-V285 HydrophobicContact CB-CG1 4.01Å; F283-V285 HydrophobicContact CD2-CB 4.32Å; F283-V285 HydrophobicContact CD2-CG1 3.82Å; F283-V285 HydrophobicContact CD2-CG2 3.67Å; F283-V285 HydrophobicContact CE2-CG2 3.87Å; F283-V285 HydrophobicContact CG-CG1 4.11Å; F283-W317 AromaticContact CD1-CD1 3.85Å; F283-W317 AromaticContact CD1-CD2 3.96Å; F283-W317 HydrophobicContact CD1-CD2 3.96Å; F283-W317 AromaticContact CD1-CE2 4Å; F283-W317 AromaticContact CD1-CG 3.89Å; F283-W317 HydrophobicContact CD1-CG 3.89Å; F283-W317 AromaticContact CD1-NE1 3.9Å; F283-W317 AromaticContact CE1-CD2 3.98Å; F283-W317 HydrophobicContact CE1-CD2 3.98Å; F283-W317 AromaticContact CE1-CE2 3.6Å; F283-W317 HydrophobicContact CE1-CG 4.31Å; F283-W317 AromaticContact CE1-CZ2 3.89Å; F283-W317 HydrophobicContact CE1-CZ2 3.89Å; F283-W317 AromaticContact CE1-NE1 3.7Å
284V98.9Very high98Very high1 Ų123.4 Ų23.41%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-118.4109.8164.2178.30000107Y207 L209 L228 L231 N235 S236 L344 A345 L391Y207-V284 HydrophobicContact CD1-CG1 3.84Å; Y207-V284 HydrophobicContact CE1-CG1 4.36Å; L209-V284 HydrophobicContact CD1-CG1 4.21Å; L209-V284 HydrophobicContact CG-CG1 4.48Å; L209-V284 HydrophobicContact CG-CG2 4.18Å; L228-V284 HydrophobicContact CD2-CG1 3.19Å; L231-V284 HydrophobicContact CD1-CG1 3.87Å; N235-V284 CarbonylContact C-O 3.53Å; N235-V284 WeakPolarHBondContact CA-O 3.36Å; N235-V284 WeakPolarHBondContact CB-O 3.49Å; S236-V284 PolarHBondContact N-O 3.3Å; S236-V284 WeakPolarHBondContact O-CB 3.44Å; S236-V284 PolarHBondContact O-N 2.86Å; V284-L344 HydrophobicContact CG2-CB 4.49Å; V284-A345 HydrophobicContact CG2-CB 4.06Å; V284-L391 HydrophobicContact CG2-CD1 4.04Å
285V98.9Very high98.3Very high0 Ų029.8 Ų29.80%015%0.154CC..EExtended strand (participates in β ladder)trans-128.5144-173.8-64.40000112.5Y207 L208 N235 M237 F283 F289 V290Y207-V285 CarbonylContact C-O 3.02Å; Y207-V285 VanDerWaalsContact CA-O 3.29Å; Y207-V285 WeakPolarHBondContact CA-O 3.09Å; Y207-V285 VanDerWaalsContact CD1-C 3.48Å; Y207-V285 WeakPolarHBondContact CD1-O 3.24Å; L208-V285 HydrophobicContact CB-CG2 3.95Å; L208-V285 HydrophobicContact CD2-CG2 4.4Å; L208-V285 HydrophobicContact CG-CG2 4.43Å; L208-V285 PolarHBondContact N-O 3.4Å; L208-V285 PolarHBondContact O-N 3.28Å; N235-V285 HydrophobicContact CB-CG1 4.23Å; M237-V285 HydrophobicContact CE-CG1 3.32Å; F283-V285 HydrophobicContact CB-CG1 4.01Å; F283-V285 HydrophobicContact CD2-CB 4.32Å; F283-V285 HydrophobicContact CD2-CG1 3.82Å; F283-V285 HydrophobicContact CD2-CG2 3.67Å; F283-V285 HydrophobicContact CE2-CG2 3.87Å; F283-V285 HydrophobicContact CG-CG1 4.11Å; V285-F289 HydrophobicContact CB-CB 4.12Å; V285-F289 HydrophobicContact CB-CD1 3.53Å; V285-F289 HydrophobicContact CB-CE1 4.1Å; V285-F289 HydrophobicContact CB-CG 3.88Å; V285-F289 HydrophobicContact CG1-CD1 3.67Å; V285-F289 HydrophobicContact CG1-CD2 4.47Å; V285-F289 HydrophobicContact CG1-CE1 3.74Å; V285-F289 HydrophobicContact CG1-CG 4.07Å; V285-F289 HydrophobicContact CG1-CZ 4.17Å; V285-F289 HydrophobicContact CG2-CD1 3.81Å; V285-F289 HydrophobicContact CG2-CE1 4.29Å; V285-V290 HydrophobicContact CG2-CG2 3.7Å
286S98.9Very high98.4Very high7 Ų727.9 Ų27.95%0.04914%0.139CC..EExtended strand (participates in β ladder)trans-68.7156.6176.967.60000111.8N235 A288 F289 V290N235-S286 PolarHBondContact OD1-N 3.33Å; N235-S286 PolarHBondContact OD1-OG 3.16Å; S286-A288 PolarHBondContact O-N 3.3Å; S286-F289 WeakPolarHBondContact O-CB 3.19Å; S286-F289 PolarHBondContact O-N 3.25Å; S286-F289 VanDerWaalsContact O-N 3.1Å; S286-F289 PolarHBondContact OG-N 3.43Å; S286-F289 VanDerWaalsContact OG-N 3.12Å; S286-V290 PolarHBondContact O-N 2.97Å
287R98.8Very high98.4Very high54 Ų5436 Ų3620%0.20417%0.168CC..Hα-helixtrans-57.7-30.9170.8-171.7162.1-171.4-105.32.3112.9L199 W205 K206 V290 K291L199-R287 HydrophobicContact CD2-CG 4.16Å; L199-R287 PolarHBondContact O-NH2 3.14Å; L199-R287 VanDerWaalsContact O-NH2 3.15Å; W205-R287 HydrophobicContact CD2-CB 4.36Å; W205-R287 HydrophobicContact CD2-CG 4.18Å; W205-R287 HydrophobicContact CE3-CB 3.67Å; W205-R287 HydrophobicContact CE3-CG 3.95Å; W205-R287 HydrophobicContact CH2-CB 3.8Å; W205-R287 HydrophobicContact CH2-CG 3.56Å; W205-R287 HydrophobicContact CZ2-CB 4.45Å; W205-R287 HydrophobicContact CZ2-CG 3.8Å; W205-R287 HydrophobicContact CZ3-CB 3.36Å; W205-R287 HydrophobicContact CZ3-CG 3.65Å; W205-R287 WeakPolarHBondContact O-CD 3.3Å; K206-R287 PolarHBondContact O-N 2.91Å; R287-V290 PolarHBondContact O-N 3.21Å; R287-K291 WeakPolarHBondContact O-CG 3.31Å; R287-K291 PolarHBondContact O-N 2.73Å
288A98.8Very high98.4Very high51 Ų5138.6 Ų38.642%0.42118%0.181SC..Hα-helixtrans-66-4217600000111.8S286 K291 Y292 P327S286-A288 PolarHBondContact O-N 3.3Å; A288-K291 PolarHBondContact O-N 2.87Å; A288-Y292 WeakPolarHBondContact O-CB 3.45Å; A288-Y292 PolarHBondContact O-N 2.81Å; A288-P327 HydrophobicContact CB-CB 3.76Å; A288-P327 HydrophobicContact CB-CG 4.3Å
289F98.9Very high98.4Very high0 Ų038.2 Ų38.20%018%0.178CC..Hα-helixtrans-56.7-50.9172.6175-84.2000110.9N235 V285 S286 K291 Y292 V293 W317 L320 V326N235-F289 VanDerWaalsContact ND2-CD2 3.3Å; N235-F289 WeakPolarHBondContact ND2-CD2 3.4Å; V285-F289 HydrophobicContact CB-CB 4.12Å; V285-F289 HydrophobicContact CB-CD1 3.53Å; V285-F289 HydrophobicContact CB-CE1 4.1Å; V285-F289 HydrophobicContact CB-CG 3.88Å; V285-F289 HydrophobicContact CG1-CD1 3.67Å; V285-F289 HydrophobicContact CG1-CD2 4.47Å; V285-F289 HydrophobicContact CG1-CE1 3.74Å; V285-F289 HydrophobicContact CG1-CG 4.07Å; V285-F289 HydrophobicContact CG1-CZ 4.17Å; V285-F289 HydrophobicContact CG2-CD1 3.81Å; V285-F289 HydrophobicContact CG2-CE1 4.29Å; S286-F289 WeakPolarHBondContact O-CB 3.19Å; S286-F289 PolarHBondContact O-N 3.25Å; S286-F289 VanDerWaalsContact O-N 3.1Å; S286-F289 PolarHBondContact OG-N 3.43Å; S286-F289 VanDerWaalsContact OG-N 3.12Å; F289-K291 PolarHBondContact O-N 3.47Å; F289-Y292 WeakPolarHBondContact O-CB 3.48Å; F289-Y292 PolarHBondContact O-N 3.46Å; F289-Y292 VanDerWaalsContact O-N 3.11Å; F289-V293 HydrophobicContact CD1-CG2 3.96Å; F289-V293 HydrophobicContact CE1-CG2 3.57Å; F289-V293 HydrophobicContact CE2-CG2 4.31Å; F289-V293 HydrophobicContact CG-CG2 4.48Å; F289-V293 HydrophobicContact CZ-CG2 3.77Å; F289-V293 WeakPolarHBondContact O-CG2 3.44Å; F289-V293 PolarHBondContact O-N 2.04Å; F289-W317 HydrophobicContact CE1-CE3 4.43Å; F289-W317 HydrophobicContact CE1-CZ3 4.45Å; F289-W317 HydrophobicContact CZ-CE3 4.35Å; F289-L320 HydrophobicContact CE2-CB 4.1Å; F289-L320 HydrophobicContact CZ-CB 4.06Å; F289-L320 HydrophobicContact CZ-CD1 4.28Å; F289-V326 HydrophobicContact CD2-CG1 3.34Å; F289-V326 HydrophobicContact CE2-CG1 3.5Å; F289-V326 HydrophobicContact CG-CG1 4.44Å
290V98.9Very high98.4Very high0 Ų042 Ų420%020%0.195CC..Hα-helixtrans-61.1-44.4-177.8-1780000111.5M195 L199 W205 L208 V285 S286 R287 Y292 V293 M294M195-V290 HydrophobicContact CB-CG1 3.63Å; M195-V290 HydrophobicContact CG-CG1 3.73Å; M195-V290 HydrophobicContact CG-CG2 4.44Å; M195-V290 HydrophobicContact SD-CG1 4.01Å; M195-V290 HydrophobicContact SD-CG2 4.43Å; L199-V290 HydrophobicContact CD1-CG1 4Å; L199-V290 HydrophobicContact CD2-CB 4.46Å; L199-V290 HydrophobicContact CD2-CG1 4.14Å; L199-V290 HydrophobicContact CG-CG1 3.94Å; W205-V290 HydrophobicContact CH2-CB 3.95Å; W205-V290 HydrophobicContact CH2-CG1 4.21Å; W205-V290 HydrophobicContact CH2-CG2 3.88Å; W205-V290 HydrophobicContact CZ3-CG2 4.36Å; L208-V290 HydrophobicContact CB-CG2 4.2Å; L208-V290 HydrophobicContact CD2-CG2 3.89Å; V285-V290 HydrophobicContact CG2-CG2 3.7Å; S286-V290 PolarHBondContact O-N 2.97Å; R287-V290 PolarHBondContact O-N 3.21Å; V290-Y292 VanDerWaalsContact C-N 3.33Å; V290-Y292 PolarHBondContact O-N 2.82Å; V290-V293 PolarHBondContact O-N 2.81Å; V290-M294 VanDerWaalsContact O-CG 3.3Å; V290-M294 WeakPolarHBondContact O-CG 3.42Å; V290-M294 PolarHBondContact O-N 2.81Å; V290-M294 VanDerWaalsContact O-N 3.16Å
291K98.7Very high98.4Very high85 Ų8545.9 Ų45.937%0.3721%0.211SC..Hα-helixtrans-57.9-45.3173.9-75.7-177.3176.3-173.40112.2L199 R287 A288 F289 M294 Q295L199-K291 HydrophobicContact CD1-CG 4.22Å; L199-K291 HydrophobicContact CD2-CD 4.48Å; L199-K291 HydrophobicContact CD2-CG 3.47Å; L199-K291 VanDerWaalsContact CD2-CG 3.47Å; R287-K291 WeakPolarHBondContact O-CG 3.31Å; R287-K291 PolarHBondContact O-N 2.73Å; A288-K291 PolarHBondContact O-N 2.87Å; F289-K291 PolarHBondContact O-N 3.47Å; K291-M294 PolarHBondContact O-N 3.15Å; K291-Q295 WeakPolarHBondContact O-CB 2.99Å; K291-Q295 WeakPolarHBondContact O-CG 3.26Å; K291-Q295 PolarHBondContact O-N 3.5Å
292Y98.7Very high98.4Very high48 Ų4845.4 Ų45.419%0.18821%0.207CC..Hα-helixtrans-64.1-46-178.7-170.3-89.4000111.9A288 F289 V290 M294 Q295 N296 V299 S325 V326 P327A288-Y292 WeakPolarHBondContact O-CB 3.45Å; A288-Y292 PolarHBondContact O-N 2.81Å; F289-Y292 WeakPolarHBondContact O-CB 3.48Å; F289-Y292 PolarHBondContact O-N 3.46Å; F289-Y292 VanDerWaalsContact O-N 3.11Å; V290-Y292 VanDerWaalsContact C-N 3.33Å; V290-Y292 PolarHBondContact O-N 2.82Å; Y292-M294 PolarHBondContact O-N 3.28Å; Y292-Q295 PolarHBondContact O-N 3.28Å; Y292-Q295 VanDerWaalsContact O-N 3.15Å; Y292-N296 HydrophobicContact CD1-CB 3.82Å; Y292-N296 HydrophobicContact CD2-CB 4.38Å; Y292-N296 HydrophobicContact CE1-CB 3.51Å; Y292-N296 HydrophobicContact CE2-CB 4.11Å; Y292-N296 HydrophobicContact CG-CB 4.24Å; Y292-N296 VanDerWaalsContact CZ-CG 3.43Å; Y292-N296 VanDerWaalsContact O-CB 3.24Å; Y292-N296 WeakPolarHBondContact O-CB 3.38Å; Y292-N296 PolarHBondContact O-N 2.94Å; Y292-N296 VanDerWaalsContact OH-CG 3.32Å; Y292-N296 PolarHBondContact OH-ND2 3.31Å; Y292-V299 HydrophobicContact CD1-CG2 4.13Å; Y292-V299 HydrophobicContact CE1-CG2 3.79Å; Y292-S325 VanDerWaalsContact CE2-O 3.29Å; Y292-S325 WeakPolarHBondContact CE2-O 3.31Å; Y292-S325 WeakPolarHBondContact OH-CB 3.42Å; Y292-S325 PolarHBondContact OH-O 3.44Å; Y292-S325 PolarHBondContact OH-OG 2.62Å; Y292-V326 HydrophobicContact CD1-CB 4.39Å; Y292-V326 HydrophobicContact CD1-CG2 3.9Å; Y292-V326 HydrophobicContact CE1-CB 4.38Å; Y292-V326 HydrophobicContact CE1-CG2 3.65Å; Y292-P327 VanDerWaalsContact CB-CD 3.43Å; Y292-P327 HydrophobicContact CD2-CG 4.05Å; Y292-P327 HydrophobicContact CG-CG 4.06Å
293V98.3Very high98.4Very high0 Ų044.4 Ų44.40%020%0.204CC..Hα-helixtrans-56.6-40.9176.8169.70000111.2L192 F289 V290 Q295 V299 Q300 M303 L320L192-V293 HydrophobicContact CD2-CG1 4.07Å; F289-V293 HydrophobicContact CD1-CG2 3.96Å; F289-V293 HydrophobicContact CE1-CG2 3.57Å; F289-V293 HydrophobicContact CE2-CG2 4.31Å; F289-V293 HydrophobicContact CG-CG2 4.48Å; F289-V293 HydrophobicContact CZ-CG2 3.77Å; F289-V293 WeakPolarHBondContact O-CG2 3.44Å; F289-V293 PolarHBondContact O-N 2.04Å; V290-V293 PolarHBondContact O-N 2.81Å; V293-Q295 VanDerWaalsContact C-N 3.32Å; V293-Q295 PolarHBondContact O-N 3.27Å; V293-V299 HydrophobicContact CB-CG1 4.33Å; V293-V299 HydrophobicContact CG1-CG1 4.08Å; V293-V299 HydrophobicContact CG2-CG1 4.38Å; V293-Q300 PolarHBondContact O-NE2 3.13Å; V293-M303 HydrophobicContact CG1-CE 4.19Å; V293-M303 HydrophobicContact CG1-SD 3.92Å; V293-L320 HydrophobicContact CG2-CD1 4.05Å
294M98Very high98.4Very high46 Ų4649.8 Ų49.823%0.22723%0.229CC..Hα-helixtrans-73.5-17.2-178.9-67.2-59.1169.800115.2L192 M195 L199 V290 K291 Y292 Q300L192-M294 HydrophobicContact CB-CE 4.15Å; L192-M294 HydrophobicContact CD2-CE 3.63Å; L192-M294 WeakPolarHBondContact O-CE 3.24Å; M195-M294 HydrophobicContact CB-CE 3.24Å; M195-M294 HydrophobicContact CG-CE 4.2Å; M195-M294 HydrophobicContact SD-CE 3.97Å; L199-M294 HydrophobicContact CD1-CB 4.17Å; L199-M294 HydrophobicContact CD1-CG 3.81Å; V290-M294 VanDerWaalsContact O-CG 3.3Å; V290-M294 WeakPolarHBondContact O-CG 3.42Å; V290-M294 PolarHBondContact O-N 2.81Å; V290-M294 VanDerWaalsContact O-N 3.16Å; K291-M294 PolarHBondContact O-N 3.15Å; Y292-M294 PolarHBondContact O-N 3.28Å; M294-Q300 PolarHBondContact O-NE2 3.06Å
295Q97.8Very high98.4Very high150 Ų15050.7 Ų50.770%0.70123%0.232SC*.Hα-helixtrans-122-29.8-168.3-65.8175.8-10.200113.7K291 Y292 V293 R297K291-Q295 WeakPolarHBondContact O-CB 2.99Å; K291-Q295 WeakPolarHBondContact O-CG 3.26Å; K291-Q295 PolarHBondContact O-N 3.5Å; Y292-Q295 PolarHBondContact O-N 3.28Å; Y292-Q295 VanDerWaalsContact O-N 3.15Å; V293-Q295 VanDerWaalsContact C-N 3.32Å; V293-Q295 PolarHBondContact O-N 3.27Å; Q295-R297 PolarHBondContact O-N 3.4Å
296N98.3Very high98.4Very high37 Ų3750.7 Ų50.720%0.19823%0.232CC..  trans-74.5127.2-171.8-178.6-84.2000112.3Y292 E298 V299 Q300Y292-N296 HydrophobicContact CD1-CB 3.82Å; Y292-N296 HydrophobicContact CD2-CB 4.38Å; Y292-N296 HydrophobicContact CE1-CB 3.51Å; Y292-N296 HydrophobicContact CE2-CB 4.11Å; Y292-N296 HydrophobicContact CG-CB 4.24Å; Y292-N296 VanDerWaalsContact CZ-CG 3.43Å; Y292-N296 VanDerWaalsContact O-CB 3.24Å; Y292-N296 WeakPolarHBondContact O-CB 3.38Å; Y292-N296 PolarHBondContact O-N 2.94Å; Y292-N296 VanDerWaalsContact OH-CG 3.32Å; Y292-N296 PolarHBondContact OH-ND2 3.31Å; N296-E298 PolarHBondContact O-N 2.89Å; N296-E298 WeakPolarHBondContact OD1-CA 3.04Å; N296-E298 WeakPolarHBondContact OD1-CB 3.19Å; N296-E298 PolarHBondContact OD1-N 2.97Å; N296-V299 HydrophobicContact CB-CB 4.2Å; N296-V299 HydrophobicContact CB-CG2 4.1Å; N296-V299 PolarHBondContact O-N 3.29Å; N296-V299 PolarHBondContact OD1-N 3.35Å; N296-V299 VanDerWaalsContact OD1-N 3.1Å; N296-Q300 VanDerWaalsContact O-CG 3.26Å; N296-Q300 WeakPolarHBondContact O-CG 3.3Å; N296-Q300 PolarHBondContact O-N 3.5Å
297R97.4Very high98.3Very high193 Ų19354.2 Ų54.273%0.72825%0.246SC*.Hα-helixtrans-63.6-36.3-175.8-171.2179.2-177.3-169.11.4114.4Q295 K301Q295-R297 PolarHBondContact O-N 3.4Å; R297-K301 WeakPolarHBondContact O-CG 3.35Å; R297-K301 PolarHBondContact O-N 2.94Å; R297-K301 VanDerWaalsContact O-N 3.12Å
298E97.6Very high98.2Very high59 Ų5953.8 Ų53.828%0.27625%0.248SC..Hα-helixtrans-66.7-45.7176.9-173.4-177.5-163.500109.7I272 S273 N296 Q300 K301 F302 M323I272-E298 WeakPolarHBondContact CA-OE1 3.39Å; I272-E298 HydrophobicContact CG2-CG 4.14Å; S273-E298 PolarHBondContact N-OE1 2.67Å; N296-E298 PolarHBondContact O-N 2.89Å; N296-E298 WeakPolarHBondContact OD1-CA 3.04Å; N296-E298 WeakPolarHBondContact OD1-CB 3.19Å; N296-E298 PolarHBondContact OD1-N 2.97Å; E298-Q300 PolarHBondContact O-N 2.86Å; E298-K301 PolarHBondContact O-N 2.94Å; E298-F302 PolarHBondContact O-N 3.21Å; E298-M323 HydrophobicContact CG-CE 4.18Å
299V98.1Very high98.2Very high0 Ų051.4 Ų51.40%023%0.229CC..Hα-helixtrans-61.7-41.8176.1176.10000112Y292 V293 N296 K301 F302 M303 L320 M323 V326Y292-V299 HydrophobicContact CD1-CG2 4.13Å; Y292-V299 HydrophobicContact CE1-CG2 3.79Å; V293-V299 HydrophobicContact CB-CG1 4.33Å; V293-V299 HydrophobicContact CG1-CG1 4.08Å; V293-V299 HydrophobicContact CG2-CG1 4.38Å; N296-V299 HydrophobicContact CB-CB 4.2Å; N296-V299 HydrophobicContact CB-CG2 4.1Å; N296-V299 PolarHBondContact O-N 3.29Å; N296-V299 PolarHBondContact OD1-N 3.35Å; N296-V299 VanDerWaalsContact OD1-N 3.1Å; V299-K301 PolarHBondContact O-N 3.26Å; V299-F302 WeakPolarHBondContact O-CB 3.33Å; V299-F302 PolarHBondContact O-N 3.02Å; V299-M303 HydrophobicContact CG1-CE 4.13Å; V299-M303 HydrophobicContact CG1-CG 4.3Å; V299-M303 HydrophobicContact CG1-SD 4.37Å; V299-M303 WeakPolarHBondContact O-CG 3.31Å; V299-M303 PolarHBondContact O-N 2.95Å; V299-L320 HydrophobicContact CB-CD2 4.35Å; V299-L320 HydrophobicContact CG1-CD1 4.48Å; V299-L320 HydrophobicContact CG1-CD2 3.73Å; V299-L320 HydrophobicContact CG2-CD2 3.85Å; V299-M323 HydrophobicContact CG2-CE 4.25Å; V299-V326 HydrophobicContact CG2-CG2 4.44Å
300Q98.1Very high98.1Very high79 Ų7954.7 Ų54.737%0.36924%0.241SC..Hα-helixtrans-62.8-41.2176.9-67-66.1-40.800112.2V293 M294 N296 E298 F302 M303 E304V293-Q300 PolarHBondContact O-NE2 3.13Å; M294-Q300 PolarHBondContact O-NE2 3.06Å; N296-Q300 VanDerWaalsContact O-CG 3.26Å; N296-Q300 WeakPolarHBondContact O-CG 3.3Å; N296-Q300 PolarHBondContact O-N 3.5Å; E298-Q300 PolarHBondContact O-N 2.86Å; Q300-F302 VanDerWaalsContact C-N 3.34Å; Q300-M303 VanDerWaalsContact CD-CE 3.46Å; Q300-M303 HydrophobicContact CG-CE 4.44Å; Q300-M303 PolarHBondContact O-N 3.32Å; Q300-E304 PolarHBondContact O-N 3.42Å
301K98.3Very high98.1Very high111 Ų11154.8 Ų54.848%0.48324%0.242SC..Hα-helixtrans-64.9-39173.8-72.7177.8179.8-175.20112.1P271 R297 E298 V299 E304 W305P271-K301 HydrophobicContact CG-CB 4.25Å; R297-K301 WeakPolarHBondContact O-CG 3.35Å; R297-K301 PolarHBondContact O-N 2.94Å; R297-K301 VanDerWaalsContact O-N 3.12Å; E298-K301 PolarHBondContact O-N 2.94Å; V299-K301 PolarHBondContact O-N 3.26Å; K301-E304 PolarHBondContact O-N 2.96Å; K301-W305 WeakPolarHBondContact O-CB 3.41Å; K301-W305 PolarHBondContact O-N 3.25Å
302F98.6Very high98.1Very high0 Ų050.7 Ų50.70%022%0.224CC..Hα-helixtrans-63.7-47.1176177.8-124.1000111.7P270 I272 M276 E298 V299 Q300 E304 W305 E306 M316 T319 L320P270-F302 HydrophobicContact CB-CE2 4.39Å; I272-F302 HydrophobicContact CD1-CD2 4.07Å; I272-F302 HydrophobicContact CD1-CE2 3.94Å; I272-F302 HydrophobicContact CD1-CZ 4.3Å; I272-F302 HydrophobicContact CG1-CD2 4.34Å; I272-F302 HydrophobicContact CG2-CB 3.59Å; I272-F302 HydrophobicContact CG2-CD1 4.48Å; I272-F302 HydrophobicContact CG2-CD2 3.83Å; I272-F302 HydrophobicContact CG2-CG 3.7Å; M276-F302 HydrophobicContact CE-CE2 4.19Å; M276-F302 HydrophobicContact CE-CZ 3.99Å; M276-F302 HydrophobicContact SD-CE2 3.62Å; M276-F302 HydrophobicContact SD-CZ 3.76Å; E298-F302 PolarHBondContact O-N 3.21Å; V299-F302 WeakPolarHBondContact O-CB 3.33Å; V299-F302 PolarHBondContact O-N 3.02Å; Q300-F302 VanDerWaalsContact C-N 3.34Å; F302-E304 VanDerWaalsContact C-N 3.32Å; F302-E304 PolarHBondContact O-N 2.91Å; F302-W305 HydrophobicContact CD2-CE3 4.08Å; F302-W305 AromaticContact CE2-CE3 3.89Å; F302-W305 HydrophobicContact CE2-CE3 3.89Å; F302-W305 AromaticContact CE2-CZ3 3.95Å; F302-W305 HydrophobicContact CE2-CZ3 3.95Å; F302-W305 CarbonylContact O-C 3.58Å; F302-W305 WeakPolarHBondContact O-CA 3.31Å; F302-W305 WeakPolarHBondContact O-CB 3.49Å; F302-W305 PolarHBondContact O-N 3.28Å; F302-W305 VanDerWaalsContact O-N 3.11Å; F302-E306 HydrophobicContact CD2-CG 4.24Å; F302-E306 HydrophobicContact CE1-CG 4.19Å; F302-E306 HydrophobicContact CE2-CG 3.8Å; F302-E306 WeakPolarHBondContact CE2-OE1 3.35Å; F302-E306 HydrophobicContact CZ-CG 3.77Å; F302-E306 WeakPolarHBondContact CZ-OE1 3.41Å; F302-E306 WeakPolarHBondContact O-CG 3.32Å; F302-E306 PolarHBondContact O-N 2.8Å; F302-M316 HydrophobicContact CD1-CG 4.34Å; F302-M316 HydrophobicContact CE1-CB 4.46Å; F302-M316 HydrophobicContact CE1-CG 3.68Å; F302-M316 HydrophobicContact CZ-CG 4.35Å; F302-T319 HydrophobicContact CE1-CG2 4.16Å; F302-T319 HydrophobicContact CZ-CG2 3.84Å; F302-L320 HydrophobicContact CD1-CD2 3.95Å; F302-L320 HydrophobicContact CD1-CG 4.42Å; F302-L320 HydrophobicContact CE1-CD2 4.25Å; F302-L320 HydrophobicContact CE1-CG 4.26Å
303M98.4Very high98Very high10 Ų1049.3 Ų49.35%0.04922%0.22CC..Hα-helixtrans-61-39.4175.8-72.6-166.3-6000112.4W185 L192 V293 V299 Q300 W305 E306 K307 M316W185-M303 HydrophobicContact CH2-CB 3.73Å; W185-M303 HydrophobicContact CH2-CG 4.03Å; W185-M303 HydrophobicContact CH2-SD 4.27Å; W185-M303 HydrophobicContact CZ2-CB 4.45Å; W185-M303 HydrophobicContact CZ3-CB 4.46Å; L192-M303 HydrophobicContact CD1-SD 3.84Å; L192-M303 HydrophobicContact CD2-SD 3.96Å; V293-M303 HydrophobicContact CG1-CE 4.19Å; V293-M303 HydrophobicContact CG1-SD 3.92Å; V299-M303 HydrophobicContact CG1-CE 4.13Å; V299-M303 HydrophobicContact CG1-CG 4.3Å; V299-M303 HydrophobicContact CG1-SD 4.37Å; V299-M303 WeakPolarHBondContact O-CG 3.31Å; V299-M303 PolarHBondContact O-N 2.95Å; Q300-M303 VanDerWaalsContact CD-CE 3.46Å; Q300-M303 HydrophobicContact CG-CE 4.44Å; Q300-M303 PolarHBondContact O-N 3.32Å; M303-W305 VanDerWaalsContact C-N 3.33Å; M303-E306 PolarHBondContact O-N 2.87Å; M303-K307 PolarHBondContact O-N 2.8Å; M303-M316 HydrophobicContact CG-SD 3.77Å; M303-M316 HydrophobicContact SD-SD 4.38Å
304E98.4Very high98Very high114 Ų11451.4 Ų51.453%0.53323%0.23SC..Hα-helixtrans-61.8-43.3173.2-169.862.2-147.700111.6Q300 K301 F302 E306 K307Q300-E304 PolarHBondContact O-N 3.42Å; K301-E304 PolarHBondContact O-N 2.96Å; F302-E304 VanDerWaalsContact C-N 3.32Å; F302-E304 PolarHBondContact O-N 2.91Å; E304-E306 VanDerWaalsContact C-N 3.25Å; E304-E306 PolarHBondContact O-N 2.68Å; E304-K307 VanDerWaalsContact CD-NZ 3.33Å; E304-K307 PolarHBondContact O-N 3.25Å; E304-K307 IonicContact OE1-NZ 3.31Å; E304-K307 PolarHBondContact OE1-NZ 3.19Å; E304-K307 WeakPolarHBondContact OE2-CE 3.45Å; E304-K307 IonicContact OE2-NZ 3.91Å; E304-K307 PolarHBondContact OE2-NZ 3.16Å
305W98.5Very high98.1Very high21 Ų2149.3 Ų49.38%0.0822%0.219CC..Hα-helixtrans-64.8-28.4175.7176.495.4000112.6W250 K267 S268 P270 P271 M276 K301 F302 M303 K307 T309W250-W305 HydrophobicContact CB-CH2 3.73Å; W250-W305 HydrophobicContact CB-CZ3 4.34Å; W250-W305 AromaticContact CD1-CH2 3.92Å; W250-W305 HydrophobicContact CG-CH2 4.08Å; K267-W305 VanDerWaalsContact CE-CE2 3.43Å; K267-W305 WeakPolarHBondContact CE-O 3.26Å; K267-W305 PolarHBondContact NZ-O 2.94Å; S268-W305 PolarHBondContact O-NE1 3.19Å; P270-W305 HydrophobicContact CB-CD2 4.47Å; P270-W305 HydrophobicContact CB-CE3 4.37Å; P270-W305 HydrophobicContact CB-CH2 4.09Å; P270-W305 HydrophobicContact CB-CZ2 4.17Å; P270-W305 HydrophobicContact CB-CZ3 4.18Å; P270-W305 HydrophobicContact CG-CH2 3.58Å; P270-W305 HydrophobicContact CG-CZ2 3.73Å; P270-W305 HydrophobicContact CG-CZ3 4.12Å; P271-W305 VanDerWaalsContact CD-CG 3.5Å; P271-W305 HydrophobicContact CG-CB 3.91Å; P271-W305 HydrophobicContact CG-CG 4.28Å; M276-W305 HydrophobicContact CE-CZ3 4.32Å; M276-W305 HydrophobicContact SD-CZ3 4.38Å; K301-W305 WeakPolarHBondContact O-CB 3.41Å; K301-W305 PolarHBondContact O-N 3.25Å; F302-W305 HydrophobicContact CD2-CE3 4.08Å; F302-W305 AromaticContact CE2-CE3 3.89Å; F302-W305 HydrophobicContact CE2-CE3 3.89Å; F302-W305 AromaticContact CE2-CZ3 3.95Å; F302-W305 HydrophobicContact CE2-CZ3 3.95Å; F302-W305 CarbonylContact O-C 3.58Å; F302-W305 WeakPolarHBondContact O-CA 3.31Å; F302-W305 WeakPolarHBondContact O-CB 3.49Å; F302-W305 PolarHBondContact O-N 3.28Å; F302-W305 VanDerWaalsContact O-N 3.11Å; M303-W305 VanDerWaalsContact C-N 3.33Å; W305-K307 VanDerWaalsContact C-N 3.34Å; W305-T309 HydrophobicContact CH2-CG2 4.42Å; W305-T309 HydrophobicContact CZ3-CG2 4.23Å
306E98.1Very high98.1Very high0 Ų042.1 Ų42.10%019%0.186CC..Hα-helixtrans-77-12.1178.3-78-70.2-173.700114.4W185 M276 F302 M303 E304 D308 T309 P312 H315 M316W185-E306 HydrophobicContact CE3-CB 4.24Å; W185-E306 HydrophobicContact CZ3-CB 3.92Å; M276-E306 WeakPolarHBondContact CE-OE1 3.38Å; F302-E306 HydrophobicContact CD2-CG 4.24Å; F302-E306 HydrophobicContact CE1-CG 4.19Å; F302-E306 HydrophobicContact CE2-CG 3.8Å; F302-E306 WeakPolarHBondContact CE2-OE1 3.35Å; F302-E306 HydrophobicContact CZ-CG 3.77Å; F302-E306 WeakPolarHBondContact CZ-OE1 3.41Å; F302-E306 WeakPolarHBondContact O-CG 3.32Å; F302-E306 PolarHBondContact O-N 2.8Å; M303-E306 PolarHBondContact O-N 2.87Å; E304-E306 VanDerWaalsContact C-N 3.25Å; E304-E306 PolarHBondContact O-N 2.68Å; E306-D308 PolarHBondContact O-N 3.24Å; E306-D308 VanDerWaalsContact O-N 3.12Å; E306-T309 PolarHBondContact O-N 2.72Å; E306-T309 PolarHBondContact O-OG1 3.41Å; E306-T309 WeakPolarHBondContact OE2-CB 3.35Å; E306-T309 VanDerWaalsContact OE2-CG2 3.31Å; E306-T309 WeakPolarHBondContact OE2-CG2 3.18Å; E306-T309 PolarHBondContact OE2-OG1 3.18Å; E306-P312 HydrophobicContact CB-CB 4.39Å; E306-H315 IonicContact OE1-CE1 3.98Å; E306-H315 PolarHBondContact OE1-CE1 3.38Å; E306-H315 IonicContact OE1-ND1 2.62Å; E306-H315 PolarHBondContact OE1-ND1 3.45Å; E306-H315 IonicContact OE2-CE1 3.44Å; E306-H315 PolarHBondContact OE2-CE1 2.9Å; E306-H315 IonicContact OE2-ND1 2.64Å; E306-H315 PolarHBondContact OE2-ND1 2.88Å; E306-M316 HydrophobicContact CG-CB 4.35Å; E306-M316 HydrophobicContact CG-CG 4.12Å
307K97.8Very high98.1Very high80 Ų8040.5 Ų40.535%0.34818%0.177SC..THydrogen-bonded Turntrans-61.9-26.4-170.3-76.2-174.7176168.40115.6W185 M303 E304 W305W185-K307 HydrophobicContact CB-CB 4.48Å; W185-K307 VanDerWaalsContact CB-O 3.31Å; W185-K307 WeakPolarHBondContact CB-O 3.22Å; W185-K307 HydrophobicContact CD2-CB 4.39Å; W185-K307 HydrophobicContact CD2-CG 3.72Å; W185-K307 HydrophobicContact CE3-CG 4.24Å; W185-K307 HydrophobicContact CG-CB 4.21Å; W185-K307 HydrophobicContact CG-CG 3.84Å; W185-K307 HydrophobicContact CZ2-CG 4.43Å; M303-K307 PolarHBondContact O-N 2.8Å; E304-K307 VanDerWaalsContact CD-NZ 3.33Å; E304-K307 PolarHBondContact O-N 3.25Å; E304-K307 IonicContact OE1-NZ 3.31Å; E304-K307 PolarHBondContact OE1-NZ 3.19Å; E304-K307 WeakPolarHBondContact OE2-CE 3.45Å; E304-K307 IonicContact OE2-NZ 3.91Å; E304-K307 PolarHBondContact OE2-NZ 3.16Å; W305-K307 VanDerWaalsContact C-N 3.34Å
308D96.9Very high98.2Very high45 Ų4531.4 Ų31.424%0.24114%0.143CC..THydrogen-bonded Turntrans-119.729.6-177.161.80.9000112.1H253 H254 K267 E306H253-D308 IonicContact CE1-OD2 3.14Å; H253-D308 PolarHBondContact CE1-OD2 3.11Å; H253-D308 IonicContact CG-OD2 3.66Å; H253-D308 IonicContact ND1-OD1 3.72Å; H253-D308 IonicContact ND1-OD2 3.15Å; H253-D308 PolarHBondContact ND1-OD2 3.19Å; H254-D308 WeakPolarHBondContact CB-O 3.17Å; H254-D308 PolarHBondContact N-O 2.82Å; H254-D308 PolarHBondContact ND1-O 3.29Å; K267-D308 IonicContact NZ-OD1 3.48Å; K267-D308 PolarHBondContact NZ-OD1 3.5Å; K267-D308 IonicContact NZ-OD2 2.96Å; E306-D308 PolarHBondContact O-N 3.24Å; E306-D308 VanDerWaalsContact O-N 3.12Å
309T97.8Very high98.2Very high2 Ų228.6 Ų28.61%0.01213%0.13CC..SBendtrans-93.4168166.665.60000111W250 K267 W305 E306 P312 H315W250-T309 HydrophobicContact CB-CG2 3.67Å; K267-T309 HydrophobicContact CD-CG2 4.04Å; W305-T309 HydrophobicContact CH2-CG2 4.42Å; W305-T309 HydrophobicContact CZ3-CG2 4.23Å; E306-T309 PolarHBondContact O-N 2.72Å; E306-T309 PolarHBondContact O-OG1 3.41Å; E306-T309 WeakPolarHBondContact OE2-CB 3.35Å; E306-T309 VanDerWaalsContact OE2-CG2 3.31Å; E306-T309 WeakPolarHBondContact OE2-CG2 3.18Å; E306-T309 PolarHBondContact OE2-OG1 3.18Å; T309-P312 WeakPolarHBondContact OG1-CB 3.41Å; T309-H315 PolarHBondContact OG1-CE1 3.17Å
310Y97.9Very high98.3Very high68 Ų6828.6 Ų28.627%0.26713%0.13SC..SBendtrans-96123.3177-173.4-81.8000111.6A183 R249 V260 H315A183-Y310 HydrophobicContact CB-CD1 4.33Å; A183-Y310 HydrophobicContact CB-CD2 4.28Å; A183-Y310 HydrophobicContact CB-CE1 3.9Å; A183-Y310 HydrophobicContact CB-CE2 3.84Å; R249-Y310 WeakPolarHBondContact CB-O 3.46Å; R249-Y310 HydrophobicContact CG-CD1 4Å; R249-Y310 PolarHBondContact O-N 3.42Å; V260-Y310 HydrophobicContact CB-CD2 3.87Å; V260-Y310 HydrophobicContact CB-CE2 4.08Å; V260-Y310 HydrophobicContact CG1-CD2 3.63Å; V260-Y310 HydrophobicContact CG1-CE2 4.34Å; V260-Y310 HydrophobicContact CG1-CG 4.44Å; Y310-H315 PolarHBondContact O-NE2 3.48Å
311S97.9Very high98.3Very high2 Ų225 Ų251%0.01411%0.114CC..SBendtrans5256.2-173.9-64.10000112.8A183 D313 E314 H315A183-S311 VanDerWaalsContact CB-OG 3.3Å; A183-S311 WeakPolarHBondContact CB-OG 3.38Å; A183-S311 PolarHBondContact O-N 3.43Å; S311-D313 VanDerWaalsContact CA-OD1 3.29Å; S311-D313 WeakPolarHBondContact CA-OD1 3.28Å; S311-D313 PolarHBondContact O-N 3.39Å; S311-D313 VanDerWaalsContact O-N 3.12Å; S311-E314 PolarHBondContact O-N 3.07Å; S311-H315 PolarHBondContact O-CD2 2.95Å; S311-H315 VanDerWaalsContact O-CD2 3.23Å; S311-H315 PolarHBondContact O-NE2 2.97Å
312P98.4Very high98.3Very high0 Ų019.8 Ų19.80%09%0.091CC..G310 helixtrans-56.7-27.317820.9-31000112.9W185 V188 E306 T309 E314 H315 M316W185-P312 HydrophobicContact CE3-CB 4.36Å; W185-P312 HydrophobicContact CE3-CG 4.28Å; V188-P312 HydrophobicContact CG2-CB 4.16Å; V188-P312 HydrophobicContact CG2-CG 4.04Å; E306-P312 HydrophobicContact CB-CB 4.39Å; T309-P312 WeakPolarHBondContact OG1-CB 3.41Å; P312-E314 PolarHBondContact O-N 2.89Å; P312-H315 PolarHBondContact O-N 3.45Å; P312-M316 WeakPolarHBondContact O-CB 3.43Å; P312-M316 PolarHBondContact O-N 2.84Å
313D98.4Very high98.2Very high19 Ų1920 Ų2010%0.1029%0.091CC..G310 helixtrans-60.3-24.4173.955.3-46.4000113.6R187 V188 N280 A281 S311R187-D313 HydrophobicContact CG-CB 4.36Å; V188-D313 HydrophobicContact CG2-CB 3.73Å; N280-D313 CarbonylContact C-O 3.55Å; N280-D313 VanDerWaalsContact O-O 3.09Å; A281-D313 WeakPolarHBondContact CA-O 3.47Å; A281-D313 HydrophobicContact CB-CB 3.88Å; A281-D313 WeakPolarHBondContact CB-OD2 3.45Å; S311-D313 VanDerWaalsContact CA-OD1 3.29Å; S311-D313 WeakPolarHBondContact CA-OD1 3.28Å; S311-D313 PolarHBondContact O-N 3.39Å; S311-D313 VanDerWaalsContact O-N 3.12Å
314E98.3Very high98.1Very high44 Ų4424.6 Ų24.621%0.20613%0.125CC..G310 helixtrans-92.66.3178.2-65.5-172.1-157.200114.2K246 R249 G279 S311 P312K246-E314 IonicContact NZ-OE2 2.64Å; R249-E314 IonicContact CZ-OE2 3.4Å; R249-E314 IonicContact NH1-OE1 3.28Å; R249-E314 IonicContact NH1-OE2 2.93Å; R249-E314 PolarHBondContact NH1-OE2 3.19Å; R249-E314 IonicContact NH2-OE2 3.33Å; G279-E314 CarbonylContact C-O 3.56Å; G279-E314 PolarHBondContact N-O 3.24Å; G279-E314 WeakPolarHBondContact O-CB 3.35Å; S311-E314 PolarHBondContact O-N 3.07Å; P312-E314 PolarHBondContact O-N 2.89Å
315H98.3Very high97.9Very high1 Ų121.5 Ų21.51%0.00512%0.116CC..THydrogen-bonded Turntrans-146.2-26.9174.749.192.8000115.3W250 M276 F277 E306 T309 Y310 S311 P312 T319W250-H315 HydrophobicContact CE3-CB 4.42Å; W250-H315 AromaticContact CE3-CD2 3.66Å; W250-H315 AromaticContact CE3-CE1 3.89Å; W250-H315 AromaticContact CE3-CG 3.89Å; W250-H315 AromaticContact CE3-NE2 3.64Å; W250-H315 HydrophobicContact CH2-CB 4.42Å; W250-H315 HydrophobicContact CZ3-CB 3.92Å; W250-H315 AromaticContact CZ3-CD2 3.72Å; W250-H315 AromaticContact CZ3-CG 3.84Å; M276-H315 HydrophobicContact CE-CB 4.06Å; M276-H315 WeakPolarHBondContact CE-ND1 3.35Å; F277-H315 VanDerWaalsContact O-CA 3.3Å; F277-H315 WeakPolarHBondContact O-CA 3.41Å; F277-H315 WeakPolarHBondContact O-CB 3.34Å; E306-H315 IonicContact OE1-CE1 3.98Å; E306-H315 PolarHBondContact OE1-CE1 3.38Å; E306-H315 IonicContact OE1-ND1 2.62Å; E306-H315 PolarHBondContact OE1-ND1 3.45Å; E306-H315 IonicContact OE2-CE1 3.44Å; E306-H315 PolarHBondContact OE2-CE1 2.9Å; E306-H315 IonicContact OE2-ND1 2.64Å; E306-H315 PolarHBondContact OE2-ND1 2.88Å; T309-H315 PolarHBondContact OG1-CE1 3.17Å; Y310-H315 PolarHBondContact O-NE2 3.48Å; S311-H315 PolarHBondContact O-CD2 2.95Å; S311-H315 VanDerWaalsContact O-CD2 3.23Å; S311-H315 PolarHBondContact O-NE2 2.97Å; P312-H315 PolarHBondContact O-N 3.45Å; H315-T319 WeakPolarHBondContact O-CB 3.49Å; H315-T319 PolarHBondContact O-N 3.45Å; H315-T319 PolarHBondContact O-OG1 3.38Å
316M98.6Very high97.9Very high0 Ų020.6 Ų20.60%011%0.113CC..Hα-helixtrans-63.3-51.8-179.1-172-16975.100111.4W185 V188 F302 M303 E306 P312 T319 L320W185-M316 HydrophobicContact CH2-SD 3.86Å; W185-M316 HydrophobicContact CZ3-SD 3.57Å; W185-M316 VanDerWaalsContact CZ3-SD 3.57Å; V188-M316 HydrophobicContact CB-CE 4.48Å; V188-M316 HydrophobicContact CG1-CE 3.24Å; V188-M316 HydrophobicContact CG1-SD 3.85Å; V188-M316 HydrophobicContact CG2-CE 4.44Å; F302-M316 HydrophobicContact CD1-CG 4.34Å; F302-M316 HydrophobicContact CE1-CB 4.46Å; F302-M316 HydrophobicContact CE1-CG 3.68Å; F302-M316 HydrophobicContact CZ-CG 4.35Å; M303-M316 HydrophobicContact CG-SD 3.77Å; M303-M316 HydrophobicContact SD-SD 4.38Å; E306-M316 HydrophobicContact CG-CB 4.35Å; E306-M316 HydrophobicContact CG-CG 4.12Å; P312-M316 WeakPolarHBondContact O-CB 3.43Å; P312-M316 PolarHBondContact O-N 2.84Å; M316-T319 PolarHBondContact O-N 2.91Å; M316-L320 HydrophobicContact CE-CD1 4.37Å; M316-L320 HydrophobicContact CG-CD1 4.22Å; M316-L320 VanDerWaalsContact O-CG 3.31Å; M316-L320 WeakPolarHBondContact O-CG 3.45Å; M316-L320 PolarHBondContact O-N 2.9Å
317W98.8Very high98Very high2 Ų222.5 Ų22.51%0.00813%0.125CC..Hα-helixtrans-62.5-47179.5-55.1126.5000111.8V188 D191 L192 M195 M237 F283 F289 T319 L320 Q321V188-W317 HydrophobicContact CG1-CH2 4.3Å; V188-W317 HydrophobicContact CG1-CZ2 3.85Å; D191-W317 HydrophobicContact CB-CZ2 4.4Å; L192-W317 HydrophobicContact CD2-CH2 3.8Å; L192-W317 HydrophobicContact CD2-CZ3 4.49Å; L192-W317 HydrophobicContact CG-CH2 4.21Å; M195-W317 HydrophobicContact CE-CH2 3.6Å; M195-W317 HydrophobicContact CE-CZ2 4.19Å; M195-W317 HydrophobicContact CE-CZ3 3.93Å; M195-W317 HydrophobicContact SD-CH2 4.22Å; M237-W317 VanDerWaalsContact SD-C 3.59Å; M237-W317 HydrophobicContact SD-CB 3.79Å; M237-W317 VanDerWaalsContact SD-O 3.37Å; F283-W317 AromaticContact CD1-CD1 3.85Å; F283-W317 AromaticContact CD1-CD2 3.96Å; F283-W317 HydrophobicContact CD1-CD2 3.96Å; F283-W317 AromaticContact CD1-CE2 4Å; F283-W317 AromaticContact CD1-CG 3.89Å; F283-W317 HydrophobicContact CD1-CG 3.89Å; F283-W317 AromaticContact CD1-NE1 3.9Å; F283-W317 AromaticContact CE1-CD2 3.98Å; F283-W317 HydrophobicContact CE1-CD2 3.98Å; F283-W317 AromaticContact CE1-CE2 3.6Å; F283-W317 HydrophobicContact CE1-CG 4.31Å; F283-W317 AromaticContact CE1-CZ2 3.89Å; F283-W317 HydrophobicContact CE1-CZ2 3.89Å; F283-W317 AromaticContact CE1-NE1 3.7Å; F289-W317 HydrophobicContact CE1-CE3 4.43Å; F289-W317 HydrophobicContact CE1-CZ3 4.45Å; F289-W317 HydrophobicContact CZ-CE3 4.35Å; W317-T319 PolarHBondContact O-N 3.19Å; W317-L320 HydrophobicContact CE3-CD1 3.92Å; W317-L320 HydrophobicContact CZ3-CD1 4.09Å; W317-L320 PolarHBondContact O-N 2.86Å; W317-Q321 WeakPolarHBondContact O-CB 3.17Å; W317-Q321 PolarHBondContact O-N 2.91Å
318A98.8Very high98Very high2 Ų219.7 Ų19.72%0.01712%0.119CC..Hα-helixtrans-57.5-37.4176.500000112.3E238 T239 F277 S278 R322E238-A318 WeakPolarHBondContact O-CB 3.44Å; T239-A318 PolarHBondContact OG1-O 2.71Å; F277-A318 HydrophobicContact CB-CB 4.17Å; S278-A318 VanDerWaalsContact C-CB 3.46Å; A318-R322 WeakPolarHBondContact O-CG 3.41Å
319T98.8Very high98.1Very high0 Ų018.9 Ų18.90%012%0.117CC..Hα-helixtrans-73.7-45.3177.9-60.60000111.7I272 M276 F277 F302 H315 M316 W317 Q321 R322 M323I272-T319 HydrophobicContact CD1-CG2 3.45Å; I272-T319 VanDerWaalsContact CD1-CG2 3.45Å; M276-T319 HydrophobicContact SD-CG2 3.84Å; F277-T319 PolarHBondContact N-OG1 2.75Å; F277-T319 PolarHBondContact O-OG1 3.15Å; F302-T319 HydrophobicContact CE1-CG2 4.16Å; F302-T319 HydrophobicContact CZ-CG2 3.84Å; H315-T319 WeakPolarHBondContact O-CB 3.49Å; H315-T319 PolarHBondContact O-N 3.45Å; H315-T319 PolarHBondContact O-OG1 3.38Å; M316-T319 PolarHBondContact O-N 2.91Å; W317-T319 PolarHBondContact O-N 3.19Å; T319-Q321 PolarHBondContact O-N 3.14Å; T319-R322 PolarHBondContact O-N 3.14Å; T319-M323 PolarHBondContact O-N 2.96Å
320L98.6Very high98Very high0 Ų020.2 Ų20.20%013%0.125CC..Hα-helixtrans-58-36.1175.3-70173.7000111.7F289 V293 V299 F302 M316 W317 R322 M323 V326F289-L320 HydrophobicContact CE2-CB 4.1Å; F289-L320 HydrophobicContact CZ-CB 4.06Å; F289-L320 HydrophobicContact CZ-CD1 4.28Å; V293-L320 HydrophobicContact CG2-CD1 4.05Å; V299-L320 HydrophobicContact CB-CD2 4.35Å; V299-L320 HydrophobicContact CG1-CD1 4.48Å; V299-L320 HydrophobicContact CG1-CD2 3.73Å; V299-L320 HydrophobicContact CG2-CD2 3.85Å; F302-L320 HydrophobicContact CD1-CD2 3.95Å; F302-L320 HydrophobicContact CD1-CG 4.42Å; F302-L320 HydrophobicContact CE1-CD2 4.25Å; F302-L320 HydrophobicContact CE1-CG 4.26Å; M316-L320 HydrophobicContact CE-CD1 4.37Å; M316-L320 HydrophobicContact CG-CD1 4.22Å; M316-L320 VanDerWaalsContact O-CG 3.31Å; M316-L320 WeakPolarHBondContact O-CG 3.45Å; M316-L320 PolarHBondContact O-N 2.9Å; W317-L320 HydrophobicContact CE3-CD1 3.92Å; W317-L320 HydrophobicContact CZ3-CD1 4.09Å; W317-L320 PolarHBondContact O-N 2.86Å; L320-R322 PolarHBondContact O-N 3.44Å; L320-R322 VanDerWaalsContact O-N 3.13Å; L320-M323 HydrophobicContact CD2-SD 3.76Å; L320-M323 PolarHBondContact O-N 3.13Å; L320-V326 WeakPolarHBondContact O-CB 3.5Å; L320-V326 WeakPolarHBondContact O-CG1 3.49Å
321Q98.6Very high98Very high5 Ų519.8 Ų19.82%0.02313%0.13CC..THydrogen-bonded Turntrans-64.4-12.4175.8-178.353.220.200114.1N235 M237 T239 W317 T319 G328 S329 V330N235-Q321 VanDerWaalsContact CB-OE1 3.29Å; N235-Q321 PolarHBondContact ND2-OE1 3.04Å; M237-Q321 HydrophobicContact CE-CB 4.15Å; M237-Q321 HydrophobicContact CE-CG 4.4Å; M237-Q321 HydrophobicContact CG-CB 4.13Å; M237-Q321 HydrophobicContact CG-CG 4.03Å; M237-Q321 HydrophobicContact SD-CB 3.77Å; M237-Q321 HydrophobicContact SD-CG 4.27Å; T239-Q321 HydrophobicContact CG2-CB 4.42Å; T239-Q321 HydrophobicContact CG2-CG 3.82Å; W317-Q321 WeakPolarHBondContact O-CB 3.17Å; W317-Q321 PolarHBondContact O-N 2.91Å; T319-Q321 PolarHBondContact O-N 3.14Å; Q321-G328 PolarHBondContact NE2-O 3.29Å; Q321-G328 VanDerWaalsContact NE2-O 3.09Å; Q321-S329 CarbonylContact O-C 3.58Å; Q321-S329 VanDerWaalsContact O-CA 3.27Å; Q321-S329 WeakPolarHBondContact O-CA 3.02Å; Q321-S329 WeakPolarHBondContact O-CB 3.1Å; Q321-V330 HydrophobicContact CG-CG2 4.47Å; Q321-V330 PolarHBondContact O-N 3.4Å
322R98.2Very high97.9Very high1 Ų122.4 Ų22.40%0.00415%0.147CC..THydrogen-bonded Turntrans-111.5-2.1-178.6-53.1-59.9-80-82.21.5114.2T239 F277 A318 T319 L320 V330 P331 P332 N333 D337T239-R322 PolarHBondContact O-NH1 3.08Å; T239-R322 VanDerWaalsContact O-NH1 3.14Å; T239-R322 VanDerWaalsContact OG1-CD 3.3Å; T239-R322 WeakPolarHBondContact OG1-CD 3.48Å; T239-R322 WeakPolarHBondContact OG1-CG 3.35Å; T239-R322 PolarHBondContact OG1-NH1 3.2Å; F277-R322 HydrophobicContact CB-CG 4.36Å; F277-R322 HydrophobicContact CD1-CG 4.02Å; F277-R322 VanDerWaalsContact CD1-NH1 3.29Å; F277-R322 HydrophobicContact CD2-CB 3.57Å; F277-R322 HydrophobicContact CD2-CG 3.51Å; F277-R322 HydrophobicContact CE1-CG 4.18Å; F277-R322 VanDerWaalsContact CE1-CZ 3.49Å; F277-R322 HydrophobicContact CE2-CB 3.42Å; F277-R322 VanDerWaalsContact CE2-CB 3.42Å; F277-R322 HydrophobicContact CE2-CG 3.69Å; F277-R322 HydrophobicContact CG-CB 4.28Å; F277-R322 HydrophobicContact CG-CG 3.69Å; F277-R322 HydrophobicContact CZ-CB 4.03Å; F277-R322 HydrophobicContact CZ-CG 4.04Å; A318-R322 WeakPolarHBondContact O-CG 3.41Å; T319-R322 PolarHBondContact O-N 3.14Å; L320-R322 PolarHBondContact O-N 3.44Å; L320-R322 VanDerWaalsContact O-N 3.13Å; R322-V330 WeakPolarHBondContact CA-O 3.16Å; R322-P331 PolarHBondContact NE-O 3.17Å; R322-P331 PolarHBondContact NH2-O 3.33Å; R322-P332 HydrophobicContact CB-CB 4.43Å; R322-N333 PolarHBondContact NH2-O 3.34Å; R322-D337 IonicContact CZ-OD1 3.95Å; R322-D337 VanDerWaalsContact CZ-OD1 3.31Å; R322-D337 IonicContact NH1-OD1 3.19Å; R322-D337 PolarHBondContact NH1-OD1 3.43Å; R322-D337 IonicContact NH2-OD1 3.91Å; R322-D337 PolarHBondContact NH2-OD1 3.33Å
323M97.8Very high97.8Very high3 Ų326.7 Ų26.72%0.01517%0.17CC..  trans-79.1120.4175.1-69.9174.966.100110.1I272 E298 V299 T319 L320 S325 V326 S329I272-M323 HydrophobicContact CB-CE 4.46Å; I272-M323 HydrophobicContact CG2-CE 4.03Å; I272-M323 HydrophobicContact CG2-SD 4.26Å; E298-M323 HydrophobicContact CG-CE 4.18Å; V299-M323 HydrophobicContact CG2-CE 4.25Å; T319-M323 PolarHBondContact O-N 2.96Å; L320-M323 HydrophobicContact CD2-SD 3.76Å; L320-M323 PolarHBondContact O-N 3.13Å; M323-S325 PolarHBondContact O-N 2.91Å; M323-S325 VanDerWaalsContact O-N 3.08Å; M323-V326 HydrophobicContact CB-CB 4.26Å; M323-V326 HydrophobicContact CB-CG2 3.62Å; M323-V326 WeakPolarHBondContact O-CB 3.4Å; M323-V326 PolarHBondContact O-N 2.82Å; M323-V326 HydrophobicContact SD-CG2 4.4Å; M323-S329 VanDerWaalsContact O-CB 3.23Å; M323-S329 WeakPolarHBondContact O-CB 3.35Å; M323-S329 PolarHBondContact O-OG 2.98Å
324S95.3Very high97.7Very high107 Ų10727.7 Ų27.775%0.74819%0.185SC*.THydrogen-bonded Turntrans-58.6-26.2-175.755.60000114.2
325S95.5Very high97.7Very high49 Ų4934.6 Ų34.634%0.34321%0.214SC..THydrogen-bonded Turntrans-80.1-16.2178.365.90000113.9Y292 M323Y292-S325 VanDerWaalsContact CE2-O 3.29Å; Y292-S325 WeakPolarHBondContact CE2-O 3.31Å; Y292-S325 WeakPolarHBondContact OH-CB 3.42Å; Y292-S325 PolarHBondContact OH-O 3.44Å; Y292-S325 PolarHBondContact OH-OG 2.62Å; M323-S325 PolarHBondContact O-N 2.91Å; M323-S325 VanDerWaalsContact O-N 3.08Å
326V98.3Very high97.7Very high3 Ų340 Ų402%0.01824%0.235CC..SBendtrans-81.7128.8-174.6172.10000110.2F289 Y292 V299 L320 M323 G328 S329F289-V326 HydrophobicContact CD2-CG1 3.34Å; F289-V326 HydrophobicContact CE2-CG1 3.5Å; F289-V326 HydrophobicContact CG-CG1 4.44Å; Y292-V326 HydrophobicContact CD1-CB 4.39Å; Y292-V326 HydrophobicContact CD1-CG2 3.9Å; Y292-V326 HydrophobicContact CE1-CB 4.38Å; Y292-V326 HydrophobicContact CE1-CG2 3.65Å; V299-V326 HydrophobicContact CG2-CG2 4.44Å; L320-V326 WeakPolarHBondContact O-CB 3.5Å; L320-V326 WeakPolarHBondContact O-CG1 3.49Å; M323-V326 HydrophobicContact CB-CB 4.26Å; M323-V326 HydrophobicContact CB-CG2 3.62Å; M323-V326 WeakPolarHBondContact O-CB 3.4Å; M323-V326 PolarHBondContact O-N 2.82Å; M323-V326 HydrophobicContact SD-CG2 4.4Å; V326-G328 PolarHBondContact O-N 3.11Å; V326-S329 WeakPolarHBondContact O-CB 3.36Å; V326-S329 PolarHBondContact O-N 2.87Å; V326-S329 PolarHBondContact O-OG 2.75Å
327P98.7Very high97.7Very high40 Ų4042.1 Ų42.126%0.2625%0.247SC..THydrogen-bonded Turntrans-59.7132.4178.9-2735.8000113.4N235 A288 Y292 S329N235-P327 PolarHBondContact ND2-O 3.43Å; A288-P327 HydrophobicContact CB-CB 3.76Å; A288-P327 HydrophobicContact CB-CG 4.3Å; Y292-P327 VanDerWaalsContact CB-CD 3.43Å; Y292-P327 HydrophobicContact CD2-CG 4.05Å; Y292-P327 HydrophobicContact CG-CG 4.06Å; P327-S329 PolarHBondContact O-N 2.03Å
328G98.3Very high97.6Very high21 Ų2143.8 Ų43.822%0.21626%0.257CS..THydrogen-bonded Turntrans74.69.1179.500000114.8G233 N235 Q321 V326G233-G328 WeakPolarHBondContact O-CA 3.27Å; N235-G328 PolarHBondContact N-O 2.92Å; N235-G328 VanDerWaalsContact N-O 3.14Å; N235-G328 VanDerWaalsContact ND2-C 3.26Å; N235-G328 PolarHBondContact ND2-O 3.19Å; Q321-G328 PolarHBondContact NE2-O 3.29Å; Q321-G328 VanDerWaalsContact NE2-O 3.09Å; V326-G328 PolarHBondContact O-N 3.11Å
329S98.1Very high97.6Very high28 Ų2845 Ų4520%0.19627%0.265CS..  trans-69.3167.6175.170.80000112.6Q321 M323 V326 P327Q321-S329 CarbonylContact O-C 3.58Å; Q321-S329 VanDerWaalsContact O-CA 3.27Å; Q321-S329 WeakPolarHBondContact O-CA 3.02Å; Q321-S329 WeakPolarHBondContact O-CB 3.1Å; M323-S329 VanDerWaalsContact O-CB 3.23Å; M323-S329 WeakPolarHBondContact O-CB 3.35Å; M323-S329 PolarHBondContact O-OG 2.98Å; V326-S329 WeakPolarHBondContact O-CB 3.36Å; V326-S329 PolarHBondContact O-N 2.87Å; V326-S329 PolarHBondContact O-OG 2.75Å; P327-S329 PolarHBondContact O-N 2.03Å
330V97.3Very high97.6Very high29 Ų2946.2 Ų46.218%0.17627%0.272CS..  trans-122.3154.5172.6-62.90000110.1Q321 R322 Y336Q321-V330 HydrophobicContact CG-CG2 4.47Å; Q321-V330 PolarHBondContact O-N 3.4Å; R322-V330 WeakPolarHBondContact CA-O 3.16Å; V330-Y336 HydrophobicContact CB-CD1 4.16Å; V330-Y336 HydrophobicContact CB-CG 4.34Å
331P97Very high97.5Very high60 Ų6048 Ų4839%0.3928%0.281SS..  trans-58.2151.4-177.7-26.335.3000113.7R322 N333 Y336R322-P331 PolarHBondContact NE-O 3.17Å; R322-P331 PolarHBondContact NH2-O 3.33Å; P331-N333 PolarHBondContact O-N 3.16Å; P331-N333 VanDerWaalsContact O-N 3.08Å; P331-Y336 HydrophobicContact CB-CD2 3.79Å; P331-Y336 HydrophobicContact CB-CE2 3.77Å; P331-Y336 HydrophobicContact CB-CG 4.46Å; P331-Y336 HydrophobicContact CG-CD2 4.01Å; P331-Y336 HydrophobicContact CG-CE1 4.27Å; P331-Y336 HydrophobicContact CG-CE2 3.67Å; P331-Y336 HydrophobicContact CG-CG 4.45Å
332P96.8Very high97.5Very high56 Ų5652.7 Ų52.736%0.36431%0.306SS..SBendtrans-72.1-0.8-179.330.1-36.8000114F277 R322F277-P332 HydrophobicContact CE2-CB 4Å; F277-P332 HydrophobicContact CZ-CB 3.68Å; F277-P332 WeakPolarHBondContact CZ-O 3.42Å; R322-P332 HydrophobicContact CB-CB 4.43Å
333N96.5Very high97.5Very high91 Ų9152.8 Ų52.849%0.48731%0.306SS..SBendtrans-68136.8176.1-173.5-76000110.4R322 P331 K335 Y336R322-N333 PolarHBondContact NH2-O 3.34Å; P331-N333 PolarHBondContact O-N 3.16Å; P331-N333 VanDerWaalsContact O-N 3.08Å; N333-K335 PolarHBondContact O-N 3.39Å; N333-K335 WeakPolarHBondContact OD1-CB 3.13Å; N333-K335 WeakPolarHBondContact OD1-CG 3.38Å; N333-K335 PolarHBondContact OD1-N 2.93Å; N333-Y336 HydrophobicContact CB-CD2 4.18Å; N333-Y336 PolarHBondContact O-N 3.06Å
334G96.1Very high97.5Very high40 Ų4053.7 Ų53.741%0.41231%0.311SS..G310 helixtrans-57.9-16.8-177.600000115.3Y336 D337G334-Y336 PolarHBondContact O-N 3.44Å; G334-D337 VanDerWaalsContact O-CB 3.29Å; G334-D337 WeakPolarHBondContact O-CB 3.26Å; G334-D337 PolarHBondContact O-N 2.79Å; G334-D337 VanDerWaalsContact O-N 3.09Å
335K97.4Very high97.6Very high189 Ų18948.8 Ų48.882%0.82228%0.277SS*.G310 helixtrans-62.2-18.2170.4-74.8175.2171.9-82.10114.1N333N333-K335 PolarHBondContact O-N 3.39Å; N333-K335 WeakPolarHBondContact OD1-CB 3.13Å; N333-K335 WeakPolarHBondContact OD1-CG 3.38Å; N333-K335 PolarHBondContact OD1-N 2.93Å
336Y97.9Very high97.8Very high113 Ų11346.7 Ų46.744%0.44326%0.262SS..G310 helixtrans-102.29.3177.4-63.4-87000112.5V330 P331 N333 G334 T338V330-Y336 HydrophobicContact CB-CD1 4.16Å; V330-Y336 HydrophobicContact CB-CG 4.34Å; P331-Y336 HydrophobicContact CB-CD2 3.79Å; P331-Y336 HydrophobicContact CB-CE2 3.77Å; P331-Y336 HydrophobicContact CB-CG 4.46Å; P331-Y336 HydrophobicContact CG-CD2 4.01Å; P331-Y336 HydrophobicContact CG-CE1 4.27Å; P331-Y336 HydrophobicContact CG-CE2 3.67Å; P331-Y336 HydrophobicContact CG-CG 4.45Å; N333-Y336 HydrophobicContact CB-CD2 4.18Å; N333-Y336 PolarHBondContact O-N 3.06Å; G334-Y336 PolarHBondContact O-N 3.44Å; Y336-T338 PolarHBondContact O-N 3.26Å; Y336-T338 PolarHBondContact O-OG1 3.12Å
337D98.4Very high97.8Very high45 Ų4546.5 Ų46.524%0.24126%0.261CS..  trans-60.1135.2173.6-755.8000109.8T239 E240 V241 R322 G334T239-D337 VanDerWaalsContact O-CA 3.32Å; T239-D337 WeakPolarHBondContact O-CA 3.44Å; E240-D337 HydrophobicContact CG-CB 4.33Å; V241-D337 WeakPolarHBondContact CG2-OD2 3.33Å; V241-D337 PolarHBondContact N-OD2 3.45Å; R322-D337 IonicContact CZ-OD1 3.95Å; R322-D337 VanDerWaalsContact CZ-OD1 3.31Å; R322-D337 IonicContact NH1-OD1 3.19Å; R322-D337 PolarHBondContact NH1-OD1 3.43Å; R322-D337 IonicContact NH2-OD1 3.91Å; R322-D337 PolarHBondContact NH2-OD1 3.33Å; G334-D337 VanDerWaalsContact O-CB 3.29Å; G334-D337 WeakPolarHBondContact O-CB 3.26Å; G334-D337 PolarHBondContact O-N 2.79Å; G334-D337 VanDerWaalsContact O-N 3.09Å
338T98.4Very high97.8Very high37 Ų3745.1 Ų45.123%0.22725%0.251CS..BIsolated β-bridgetrans-127.5111-178.8-56.20000107.6E238 T239 Y336 L342 A343E238-T338 CarbonylContact C-O 3.52Å; E238-T338 WeakPolarHBondContact CA-O 3.37Å; T239-T338 PolarHBondContact N-O 2.92Å; T239-T338 PolarHBondContact O-N 2.89Å; Y336-T338 PolarHBondContact O-N 3.26Å; Y336-T338 PolarHBondContact O-OG1 3.12Å; T338-L342 HydrophobicContact CG2-CB 3.9Å; T338-A343 HydrophobicContact CG2-CB 3.96Å
339S98.3Very high97.8Very high27 Ų2744.1 Ų44.119%0.18924%0.241CC..  trans-73.8169.4175.666.80000111.9M341 L342 A343S339-M341 PolarHBondContact O-N 3.22Å; S339-L342 PolarHBondContact O-N 3.21Å; S339-A343 PolarHBondContact O-N 3.01Å
340D97.6Very high97.8Very high26 Ų2646.3 Ų46.314%0.13925%0.245CC..THydrogen-bonded Turntrans-55.5-38174.462.8-13.6000112.7E238 L342 H390E238-D340 HydrophobicContact CG-CB 4.44Å; D340-L342 VanDerWaalsContact C-N 3.31Å; D340-L342 PolarHBondContact O-N 2.84Å; D340-H390 PolarHBondContact O-NE2 3.1Å
341M97.8Very high97.8Very high37 Ų3747 Ų4718%0.18225%0.251CS..THydrogen-bonded Turntrans-72.1-19.9177.6-68.3-56.3-59.700114.2S339 V347 P362 Y363 W384 Q389 H390S339-M341 PolarHBondContact O-N 3.22Å; M341-V347 HydrophobicContact SD-CG2 4.37Å; M341-P362 HydrophobicContact CG-CB 4.48Å; M341-Y363 HydrophobicContact SD-CD1 3.97Å; M341-Y363 HydrophobicContact SD-CE1 4.05Å; M341-W384 HydrophobicContact CE-CH2 4.4Å; M341-W384 HydrophobicContact CE-CZ2 3.97Å; M341-Q389 PolarHBondContact O-NE2 2.93Å; M341-Q389 VanDerWaalsContact O-NE2 3.08Å; M341-H390 PolarHBondContact O-CE1 2.92Å
342L97.8Very high97.8Very high105 Ų10551.2 Ų51.255%0.5526%0.26SS..THydrogen-bonded Turntrans-97.9-28.7178.9-65.9179.8000113.2T338 S339 D340 Q389T338-L342 HydrophobicContact CG2-CB 3.9Å; S339-L342 PolarHBondContact O-N 3.21Å; D340-L342 VanDerWaalsContact C-N 3.31Å; D340-L342 PolarHBondContact O-N 2.84Å; L342-Q389 PolarHBondContact O-NE2 3.21Å
343A98.1Very high97.9Very high2 Ų252.3 Ų52.32%0.01726%0.263CS..SBendtrans-69.8146.617600000111.5M237 T338 S339 A345 H390M237-A343 VanDerWaalsContact C-CB 3.48Å; T338-A343 HydrophobicContact CG2-CB 3.96Å; S339-A343 PolarHBondContact O-N 3.01Å; A343-A345 VanDerWaalsContact C-N 3.31Å; A343-A345 PolarHBondContact O-N 3.29Å; A343-H390 PolarHBondContact O-CD2 2.71Å; A343-H390 PolarHBondContact O-NE2 3.24Å; A343-H390 VanDerWaalsContact O-NE2 3.15Å
344L98.4Very high97.9Very high22 Ų2249.6 Ų49.612%0.11525%0.249CC..SBendtrans-76.6-18.4178.2-64.9-179.9000113.3A227 L231 S236 V284 Q389 H390 L391A227-L344 HydrophobicContact CB-CD1 4.42Å; L231-L344 HydrophobicContact CD1-CD1 4.23Å; L231-L344 HydrophobicContact CD2-CD1 3.97Å; L231-L344 HydrophobicContact CG-CD1 4.21Å; S236-L344 PolarHBondContact OG-N 2.96Å; V284-L344 HydrophobicContact CG2-CB 4.49Å; L344-Q389 HydrophobicContact CD2-CB 4.28Å; L344-Q389 HydrophobicContact CD2-CG 4.2Å; L344-H390 CarbonylContact O-C 3.56Å; L344-H390 VanDerWaalsContact O-CA 3.32Å; L344-H390 WeakPolarHBondContact O-CA 3.1Å; L344-L391 HydrophobicContact CB-CG 4.3Å; L344-L391 PolarHBondContact O-N 3.13Å
345A97.8Very high97.9Very high5 Ų548.8 Ų48.84%0.04124%0.242CC..SBendtrans-62.2-55.4-164.300000113.9V284 A343V284-A345 HydrophobicContact CG2-CB 4.06Å; A343-A345 VanDerWaalsContact C-N 3.31Å; A343-A345 PolarHBondContact O-N 3.29Å
346R98.4Very high97.8Very high4 Ų443.4 Ų43.42%0.01522%0.222CC..EExtended strand (participates in β ladder)trans-151.9131.2-174-159.380.468.1-155.8-16111.9N210 D215 Y282 V348 H390 F392 N394N210-R346 PolarHBondContact O-NH2 3.48Å; D215-R346 WeakPolarHBondContact OD1-CD 3.45Å; D215-R346 IonicContact OD1-CZ 3.36Å; D215-R346 IonicContact OD1-NE 3.65Å; D215-R346 PolarHBondContact OD1-NE 3.46Å; D215-R346 IonicContact OD1-NH1 3.76Å; D215-R346 IonicContact OD2-CZ 3.53Å; D215-R346 IonicContact OD2-NE 2.93Å; D215-R346 PolarHBondContact OD2-NE 2.85Å; D215-R346 IonicContact OD2-NH1 2.83Å; D215-R346 PolarHBondContact OD2-NH1 2.86Å; D215-R346 VanDerWaalsContact OD2-NH1 3.15Å; D215-R346 IonicContact OD2-NH2 3.89Å; D215-R346 PolarHBondContact OD2-NH2 3.05Å; D215-R346 VanDerWaalsContact OD2-NH2 3.14Å; Y282-R346 HydrophobicContact CD2-CB 3.8Å; Y282-R346 HydrophobicContact CD2-CG 3.86Å; Y282-R346 HydrophobicContact CE2-CG 4.15Å; Y282-R346 HydrophobicContact CG-CB 4.21Å; Y282-R346 HydrophobicContact CG-CG 4.45Å; R346-V348 HydrophobicContact CB-CG2 4.44Å; R346-V348 HydrophobicContact CG-CG2 3.84Å; R346-H390 PolarHBondContact O-CD2 3.33Å; R346-F392 WeakPolarHBondContact CA-O 3.24Å; R346-N394 HydrophobicContact CG-CB 3.81Å
347V98.4Very high97.7Very high0 Ų041.6 Ų41.60%022%0.222CC..EExtended strand (participates in β ladder)trans-91134.316363.40000110.4I218 M341 Y377 W384 L385 Q388 H390 F392 A393 N394I218-V347 HydrophobicContact CD1-CG1 4.08Å; M341-V347 HydrophobicContact SD-CG2 4.37Å; V347-Y377 PolarHBondContact O-OH 2.87Å; V347-W384 HydrophobicContact CG2-CH2 3.4Å; V347-W384 VanDerWaalsContact CG2-CH2 3.4Å; V347-W384 HydrophobicContact CG2-CZ2 4.43Å; V347-W384 HydrophobicContact CG2-CZ3 3.75Å; V347-L385 HydrophobicContact CG1-CD2 3.72Å; V347-Q388 HydrophobicContact CG2-CG 4.26Å; V347-H390 HydrophobicContact CB-CB 4Å; V347-H390 HydrophobicContact CG1-CB 4.23Å; V347-H390 PolarHBondContact N-CD2 2.92Å; V347-F392 PolarHBondContact N-O 3.05Å; V347-A393 HydrophobicContact CG1-CB 3.44Å; V347-A393 VanDerWaalsContact CG1-CB 3.44Å; V347-A393 WeakPolarHBondContact O-CA 3.31Å; V347-N394 PolarHBondContact O-N 2.88Å
348V98.4Very high97.5Very high10 Ų1049 Ų496%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-139.7133.9-179.7-1730000108.7R346 V374 Y377 N394R346-V348 HydrophobicContact CB-CG2 4.44Å; R346-V348 HydrophobicContact CG-CG2 3.84Å; V348-V374 HydrophobicContact CG1-CG1 3.48Å; V348-V374 VanDerWaalsContact CG1-CG1 3.48Å; V348-V374 HydrophobicContact CG1-CG2 4.47Å; V348-Y377 WeakPolarHBondContact CA-OH 3.41Å; V348-N394 HydrophobicContact CG2-CB 4.08Å
349K98.5Very high97.4Very high0 Ų055.9 Ų55.90%028%0.279CS..  trans-97.8119.7169.2-71.4-171.9-175.8-177.30110.6Y363 Y364 C375 Y377 D381 W384K349-Y363 HydrophobicContact CB-CD2 4.09Å; K349-Y363 HydrophobicContact CB-CE2 3.95Å; K349-Y363 HydrophobicContact CD-CD2 4.06Å; K349-Y363 HydrophobicContact CD-CG 4.25Å; K349-Y363 HydrophobicContact CG-CD1 4.15Å; K349-Y363 HydrophobicContact CG-CD2 3.7Å; K349-Y363 HydrophobicContact CG-CE1 4.43Å; K349-Y363 HydrophobicContact CG-CE2 4.04Å; K349-Y363 HydrophobicContact CG-CG 3.78Å; K349-Y364 VanDerWaalsContact NZ-CD2 3.35Å; K349-Y364 VanDerWaalsContact NZ-CZ 3.35Å; K349-Y364 PolarHBondContact NZ-O 2.92Å; K349-C375 HydrophobicContact CB-CB 3.65Å; K349-C375 WeakPolarHBondContact O-CB 3.28Å; K349-C375 PolarHBondContact O-N 2.99Å; K349-Y377 HydrophobicContact CB-CE1 4.22Å; K349-Y377 HydrophobicContact CD-CE1 3.98Å; K349-Y377 HydrophobicContact CG-CE1 3.89Å; K349-Y377 PolarHBondContact N-OH 3.46Å; K349-Y377 VanDerWaalsContact N-OH 3.16Å; K349-D381 IonicContact NZ-OD1 3.76Å; K349-D381 PolarHBondContact NZ-OD1 3.48Å; K349-W384 HydrophobicContact CD-CZ3 4.24Å; K349-W384 VanDerWaalsContact CE-CE3 3.43Å; K349-W384 VanDerWaalsContact CE-CZ3 3.41Å; K349-W384 HydrophobicContact CG-CH2 4.02Å; K349-W384 HydrophobicContact CG-CZ3 3.94Å
350W98.3Very high97.3Very high75 Ų7557.8 Ų57.828%0.28430%0.303SS..BIsolated β-bridgetrans-95.1129.8171.9-62.893.3000111.8Y352 L353 T354 Y363 A373 V374W350-Y352 HydrophobicContact CB-CD1 4.4Å; W350-Y352 HydrophobicContact CB-CD2 4.47Å; W350-Y352 HydrophobicContact CB-CE1 3.93Å; W350-Y352 HydrophobicContact CB-CE2 4Å; W350-Y352 HydrophobicContact CD2-CE1 4.18Å; W350-Y352 AromaticContact CD2-CZ 3.89Å; W350-Y352 VanDerWaalsContact CD2-OH 3.28Å; W350-Y352 AromaticContact CE3-CE1 3.59Å; W350-Y352 HydrophobicContact CE3-CE1 3.59Å; W350-Y352 AromaticContact CE3-CZ 3.71Å; W350-Y352 HydrophobicContact CG-CE1 4.36Å; W350-Y352 HydrophobicContact CG-CE2 4.48Å; W350-Y352 AromaticContact CG-CZ 3.93Å; W350-Y352 HydrophobicContact CZ3-CE1 4.38Å; W350-Y352 PolarHBondContact O-N 2.87Å; W350-L353 HydrophobicContact CB-CD1 4.3Å; W350-L353 HydrophobicContact CB-CG 4.43Å; W350-L353 PolarHBondContact O-N 2.97Å; W350-T354 WeakPolarHBondContact O-CG2 3.45Å; W350-T354 PolarHBondContact O-N 3.31Å; W350-Y363 WeakPolarHBondContact CB-OH 3.18Å; W350-Y363 PolarHBondContact N-OH 3.24Å; W350-A373 CarbonylContact C-O 3.56Å; W350-A373 WeakPolarHBondContact CA-O 3.49Å; W350-A373 HydrophobicContact CE3-CB 4.32Å; W350-V374 HydrophobicContact CD2-CG2 4.41Å; W350-V374 HydrophobicContact CE3-CG2 3.86Å; W350-V374 HydrophobicContact CH2-CG2 3.89Å; W350-V374 HydrophobicContact CZ2-CG2 4.4Å; W350-V374 HydrophobicContact CZ3-CG2 3.59Å
351S98Very high97.3Very high42 Ų4257.4 Ų57.429%0.29430%0.304SS..G310 helixtrans-56.2-36.3-174.1660000113.6L353 T354 Y370 A373S351-L353 VanDerWaalsContact C-N 3.27Å; S351-L353 PolarHBondContact O-N 3.33Å; S351-T354 PolarHBondContact O-OG1 3.23Å; S351-Y370 VanDerWaalsContact CA-CE1 3.45Å; S351-Y370 VanDerWaalsContact CB-CD1 3.46Å; S351-Y370 VanDerWaalsContact CB-CE1 3.47Å; S351-A373 PolarHBondContact N-O 3.29Å; S351-A373 WeakPolarHBondContact OG-CB 3.35Å
352Y97.3Very high97.3Very high150 Ų15058.5 Ų58.559%0.58831%0.313SS*.G310 helixtrans-79.6-4.2-178.953.2-98.2000114W350 A373W350-Y352 HydrophobicContact CB-CD1 4.4Å; W350-Y352 HydrophobicContact CB-CD2 4.47Å; W350-Y352 HydrophobicContact CB-CE1 3.93Å; W350-Y352 HydrophobicContact CB-CE2 4Å; W350-Y352 HydrophobicContact CD2-CE1 4.18Å; W350-Y352 AromaticContact CD2-CZ 3.89Å; W350-Y352 VanDerWaalsContact CD2-OH 3.28Å; W350-Y352 AromaticContact CE3-CE1 3.59Å; W350-Y352 HydrophobicContact CE3-CE1 3.59Å; W350-Y352 AromaticContact CE3-CZ 3.71Å; W350-Y352 HydrophobicContact CG-CE1 4.36Å; W350-Y352 HydrophobicContact CG-CE2 4.48Å; W350-Y352 AromaticContact CG-CZ 3.93Å; W350-Y352 HydrophobicContact CZ3-CE1 4.38Å; W350-Y352 PolarHBondContact O-N 2.87Å; Y352-A373 HydrophobicContact CD1-CB 4.05Å; Y352-A373 HydrophobicContact CE1-CB 3.98Å
353L97.4Very high97.2Very high78 Ų7853.5 Ų53.541%0.40829%0.287SS..G310 helixtrans-113-7174.9-64.1177.3000112.7W350 S351 P362 Y363W350-L353 HydrophobicContact CB-CD1 4.3Å; W350-L353 HydrophobicContact CB-CG 4.43Å; W350-L353 PolarHBondContact O-N 2.97Å; S351-L353 VanDerWaalsContact C-N 3.27Å; S351-L353 PolarHBondContact O-N 3.33Å; L353-P362 HydrophobicContact CB-CG 4.12Å; L353-P362 WeakPolarHBondContact O-CD 3.36Å; L353-Y363 HydrophobicContact CB-CE2 4.03Å; L353-Y363 WeakPolarHBondContact CB-OH 3.11Å
354T96.8Very high97.2Very high34 Ų3455.9 Ų55.921%0.20930%0.296CS..BIsolated β-bridgetrans-71.5145.5178.367.20000111.8W350 S351 Y363 Y370W350-T354 WeakPolarHBondContact O-CG2 3.45Å; W350-T354 PolarHBondContact O-N 3.31Å; S351-T354 PolarHBondContact O-OG1 3.23Å; T354-Y363 WeakPolarHBondContact CA-O 3.47Å; T354-Y363 HydrophobicContact CG2-CD2 3.74Å; T354-Y363 HydrophobicContact CG2-CE2 3.65Å; T354-Y370 HydrophobicContact CG2-CE1 4.37Å; T354-Y370 WeakPolarHBondContact CG2-OH 3.3Å; T354-Y370 PolarHBondContact OG1-OH 2.84Å
355G96.3Very high97.1Very high24 Ų2457.9 Ų57.925%0.24731%0.31CS..SBendtrans176.5-160.1176.400000113.4V357 A361 Y363 Y364G355-V357 PolarHBondContact O-N 2.93Å; G355-A361 VanDerWaalsContact C-CB 3.41Å; G355-Y363 PolarHBondContact N-O 3.19Å; G355-Y364 WeakPolarHBondContact O-CA 3.41Å
356D95.9Very high97.1Very high76 Ų7658.3 Ų58.341%0.40631%0.313SS..  trans-74.1112.2174.8-176.9-7.6000110K358 K359 G360 A361D356-K358 PolarHBondContact O-N 3.28Å; D356-K358 VanDerWaalsContact OD1-CB 3.31Å; D356-K358 WeakPolarHBondContact OD1-CB 3.42Å; D356-K358 PolarHBondContact OD1-N 2.96Å; D356-K359 HydrophobicContact CB-CB 4.07Å; D356-K359 HydrophobicContact CB-CD 4.04Å; D356-K359 HydrophobicContact CB-CG 4.08Å; D356-K359 CarbonylContact O-C 3.58Å; D356-K359 WeakPolarHBondContact O-CA 3.48Å; D356-K359 PolarHBondContact O-N 3.3Å; D356-K359 WeakPolarHBondContact OD2-CD 3.36Å; D356-K359 VanDerWaalsContact OD2-CE 3.25Å; D356-K359 WeakPolarHBondContact OD2-CE 3.47Å; D356-K359 WeakPolarHBondContact OD2-CG 3.45Å; D356-K359 IonicContact OD2-NZ 2.87Å; D356-G360 PolarHBondContact O-N 2.69Å; D356-A361 PolarHBondContact O-N 2.96Å
357V95.2Very high97.1Very high75 Ų7563.7 Ų63.746%0.45534%0.34SS..G310 helixtrans-61-32.3-180179.20000111.4G355 K359 G360 A361G355-V357 PolarHBondContact O-N 2.93Å; V357-K359 PolarHBondContact O-N 3.44Å; V357-G360 PolarHBondContact O-N 3.39Å; V357-G360 VanDerWaalsContact O-N 3.16Å; V357-A361 WeakPolarHBondContact CA-O 3.28Å
358K95.3Very high97Very high200 Ų20065.1 Ų65.187%0.8736%0.355SS*.G310 helixtrans-68.1-17175.6-61-178178.2179.40112.4D356D356-K358 PolarHBondContact O-N 3.28Å; D356-K358 VanDerWaalsContact OD1-CB 3.31Å; D356-K358 WeakPolarHBondContact OD1-CB 3.42Å; D356-K358 PolarHBondContact OD1-N 2.96Å
359K96.4Very high96.9Very high181 Ų18167.6 Ų67.679%0.78737%0.37SS*.G310 helixtrans-105.913.4177-61.6179.8-175.4174.40113.2D356 V357D356-K359 HydrophobicContact CB-CB 4.07Å; D356-K359 HydrophobicContact CB-CD 4.04Å; D356-K359 HydrophobicContact CB-CG 4.08Å; D356-K359 CarbonylContact O-C 3.58Å; D356-K359 WeakPolarHBondContact O-CA 3.48Å; D356-K359 PolarHBondContact O-N 3.3Å; D356-K359 WeakPolarHBondContact OD2-CD 3.36Å; D356-K359 VanDerWaalsContact OD2-CE 3.25Å; D356-K359 WeakPolarHBondContact OD2-CE 3.47Å; D356-K359 WeakPolarHBondContact OD2-CG 3.45Å; D356-K359 IonicContact OD2-NZ 2.87Å; V357-K359 PolarHBondContact O-N 3.44Å
360G95.8Very high96.9Very high67 Ų6771.4 Ų71.469%0.69139%0.385SS*.THydrogen-bonded Turntrans995.2171.400000115.8D356 V357D356-G360 PolarHBondContact O-N 2.69Å; V357-G360 PolarHBondContact O-N 3.39Å; V357-G360 VanDerWaalsContact O-N 3.16Å
361A97.6Very high96.9Very high19 Ų1972.7 Ų72.716%0.15739%0.39CS..  trans-67.6139.9167.600000110.3G355 D356 V357 Y363G355-A361 VanDerWaalsContact C-CB 3.41Å; D356-A361 PolarHBondContact O-N 2.96Å; V357-A361 WeakPolarHBondContact CA-O 3.28Å; A361-Y363 PolarHBondContact O-N 2.79Å
362P96.8Very high96.8Very high59 Ų5979.5 Ų79.538%0.38341%0.409SS..SBendtrans-64.6-26.1177.226.1-36.1000112.9M341 L353M341-P362 HydrophobicContact CG-CB 4.48Å; L353-P362 HydrophobicContact CB-CG 4.12Å; L353-P362 WeakPolarHBondContact O-CD 3.36Å
363Y97.3Very high96.8Very high1 Ų173.9 Ų73.90%0.00439%0.393CS..BIsolated β-bridgetrans-159156.8-178.238.2-110.5000112.4M341 K349 W350 L353 T354 G355 A361 W384M341-Y363 HydrophobicContact SD-CD1 3.97Å; M341-Y363 HydrophobicContact SD-CE1 4.05Å; K349-Y363 HydrophobicContact CB-CD2 4.09Å; K349-Y363 HydrophobicContact CB-CE2 3.95Å; K349-Y363 HydrophobicContact CD-CD2 4.06Å; K349-Y363 HydrophobicContact CD-CG 4.25Å; K349-Y363 HydrophobicContact CG-CD1 4.15Å; K349-Y363 HydrophobicContact CG-CD2 3.7Å; K349-Y363 HydrophobicContact CG-CE1 4.43Å; K349-Y363 HydrophobicContact CG-CE2 4.04Å; K349-Y363 HydrophobicContact CG-CG 3.78Å; W350-Y363 WeakPolarHBondContact CB-OH 3.18Å; W350-Y363 PolarHBondContact N-OH 3.24Å; L353-Y363 HydrophobicContact CB-CE2 4.03Å; L353-Y363 WeakPolarHBondContact CB-OH 3.11Å; T354-Y363 WeakPolarHBondContact CA-O 3.47Å; T354-Y363 HydrophobicContact CG2-CD2 3.74Å; T354-Y363 HydrophobicContact CG2-CE2 3.65Å; G355-Y363 PolarHBondContact N-O 3.19Å; A361-Y363 PolarHBondContact O-N 2.79Å; Y363-W384 VanDerWaalsContact CB-CZ2 3.46Å; Y363-W384 HydrophobicContact CD1-CH2 4.03Å; Y363-W384 AromaticContact CD1-CZ2 4Å; Y363-W384 HydrophobicContact CD1-CZ2 4Å; Y363-W384 HydrophobicContact CG-CH2 4.27Å; Y363-W384 HydrophobicContact CG-CZ2 4.13Å
364Y96.8Very high96.9Very high51 Ų5170.5 Ų70.520%0.238%0.376CS..PPolyproline II helixtrans-73.2162175.963.5-91.2000112.2K349 G355 M367 G380 D381 W384K349-Y364 VanDerWaalsContact NZ-CD2 3.35Å; K349-Y364 VanDerWaalsContact NZ-CZ 3.35Å; K349-Y364 PolarHBondContact NZ-O 2.92Å; G355-Y364 WeakPolarHBondContact O-CA 3.41Å; Y364-M367 HydrophobicContact CD2-CE 4.01Å; Y364-M367 HydrophobicContact CE2-CE 4.06Å; Y364-M367 HydrophobicContact CE2-CG 3.99Å; Y364-G380 PolarHBondContact OH-O 2.85Å; Y364-D381 WeakPolarHBondContact CE2-OD1 3.47Å; Y364-D381 WeakPolarHBondContact OH-CA 3.49Å; Y364-D381 PolarHBondContact OH-O 2.88Å; Y364-W384 HydrophobicContact CD1-CG 4.23Å; Y364-W384 HydrophobicContact CE1-CB 3.32Å; Y364-W384 AromaticContact CE1-CD1 3.58Å; Y364-W384 HydrophobicContact CE1-CD2 4.12Å; Y364-W384 AromaticContact CE1-CG 3.36Å; Y364-W384 HydrophobicContact CE1-CG 3.36Å; Y364-W384 WeakPolarHBondContact OH-CB 3.19Å
365P97.8Very high96.9Very high64 Ų6468.9 Ų68.942%0.41637%0.366SS..PPolyproline II helixtrans-49.6147.8177-29.837.8000114.3M367P365-M367 PolarHBondContact O-N 3.25Å
366C97.8Very high97.1Very high15 Ų1567.9 Ų67.910%0.10136%0.355CS..PPolyproline II helixtrans-58.5134.3174.1-170.70000110.9Y370 C375C366-Y370 HydrophobicContact CB-CD1 4.3Å; C366-Y370 HydrophobicContact CB-CE1 3.58Å; C366-Y370 HydrophobicContact CB-CE2 3.83Å; C366-Y370 WeakPolarHBondContact CB-OH 3.19Å; C366-Y370 PolarHBondContact N-OH 2.94Å; C366-C375 HydrophobicContact CB-CB 3.71Å; C366-C375 WeakPolarHBondContact CB-SG 3.3Å; C366-C375 VanDerWaalsContact SG-CA 3.59Å; C366-C375 WeakPolarHBondContact SG-CB 3.42Å; C366-C375 CovalentContact SG-SG 2.03Å; C366-C375 PolarHBondContact SG-SG 3.44Å
367M96.8Very high97.2Very high116 Ų11664.3 Ų64.357%0.57134%0.336SS*.SBendtrans-93.9-1.1173.8-61.3-60.7-171.500112.7Y364 P365 D381Y364-M367 HydrophobicContact CD2-CE 4.01Å; Y364-M367 HydrophobicContact CE2-CE 4.06Å; Y364-M367 HydrophobicContact CE2-CG 3.99Å; P365-M367 PolarHBondContact O-N 3.25Å; M367-D381 WeakPolarHBondContact CA-OD2 3.47Å; M367-D381 PolarHBondContact N-OD1 3.11Å; M367-D381 PolarHBondContact N-OD2 2.91Å
368G96.4Very high97.3Very high31 Ų3160.7 Ų60.732%0.3231%0.314SS..SBendtrans-101.3-119.2166.600000112V376 D381G368-V376 WeakPolarHBondContact CA-O 3.43Å; G368-D381 PolarHBondContact N-OD2 3.41Å
369T97.8Very high97.3Very high62 Ų6251.7 Ų51.738%0.3828%0.277SS..EExtended strand (participates in β ladder)trans-137.7162.4178.8-168.30000111.8V376 V400T369-V376 HydrophobicContact CG2-CB 4.15Å; T369-V376 HydrophobicContact CG2-CG2 4.43Å; T369-V376 PolarHBondContact N-O 3.09Å; T369-V376 VanDerWaalsContact N-O 3.11Å; T369-V376 PolarHBondContact O-N 2.96Å; T369-V400 HydrophobicContact CG2-CG1 3.8Å; T369-V400 HydrophobicContact CG2-CG2 3.87Å
370Y98.2Very high97.3Very high79 Ų7945.1 Ų45.131%0.3126%0.26SS..EExtended strand (participates in β ladder)trans-99.4134.3174.4-64.3-76.6000111.4S351 T354 C366 V374 C375S351-Y370 VanDerWaalsContact CA-CE1 3.45Å; S351-Y370 VanDerWaalsContact CB-CD1 3.46Å; S351-Y370 VanDerWaalsContact CB-CE1 3.47Å; T354-Y370 HydrophobicContact CG2-CE1 4.37Å; T354-Y370 WeakPolarHBondContact CG2-OH 3.3Å; T354-Y370 PolarHBondContact OG1-OH 2.84Å; C366-Y370 HydrophobicContact CB-CD1 4.3Å; C366-Y370 HydrophobicContact CB-CE1 3.58Å; C366-Y370 HydrophobicContact CB-CE2 3.83Å; C366-Y370 WeakPolarHBondContact CB-OH 3.19Å; C366-Y370 PolarHBondContact N-OH 2.94Å; Y370-V374 WeakPolarHBondContact CA-O 3.46Å; Y370-C375 HydrophobicContact CD1-CB 4.2Å; Y370-C375 HydrophobicContact CE1-CB 4.01Å
371R97.6Very high97.3Very high102 Ų10241.9 Ų41.939%0.38523%0.227SC..EExtended strand (participates in β ladder)trans-128117.9169.3-65.3-172.1-169.1170.23.9109.6A373 V374 V376 D397R371-A373 VanDerWaalsContact C-N 3.31Å; R371-A373 PolarHBondContact O-N 2.65Å; R371-V374 PolarHBondContact N-O 3.15Å; R371-V374 PolarHBondContact O-N 2.87Å; R371-V374 VanDerWaalsContact O-N 3.15Å; R371-V376 HydrophobicContact CB-CG2 4.1Å; R371-V376 HydrophobicContact CG-CG2 3.84Å; R371-D397 IonicContact CZ-OD2 3.9Å; R371-D397 IonicContact NH1-OD2 3.5Å; R371-D397 PolarHBondContact NH1-OD2 2.74Å; R371-D397 IonicContact NH2-OD2 3.01Å; R371-D397 PolarHBondContact NH2-OD2 2.76Å
372R96.1Very high97.3Very high186 Ų18641 Ų4170%0.70222%0.22SC*.THydrogen-bonded Turntrans52.648.3-174.2-60.6177.4-75.6-179.8-7.6111.9V374R372-V374 PolarHBondContact O-N 3.35Å; R372-V374 VanDerWaalsContact O-N 3.09Å
373A97.3Very high97.3Very high31 Ų3140.3 Ų40.326%0.25621%0.213SC..THydrogen-bonded Turntrans64.1-0.3-176.600000116.7W350 S351 Y352 R371W350-A373 CarbonylContact C-O 3.56Å; W350-A373 WeakPolarHBondContact CA-O 3.49Å; W350-A373 HydrophobicContact CE3-CB 4.32Å; S351-A373 PolarHBondContact N-O 3.29Å; S351-A373 WeakPolarHBondContact OG-CB 3.35Å; Y352-A373 HydrophobicContact CD1-CB 4.05Å; Y352-A373 HydrophobicContact CE1-CB 3.98Å; R371-A373 VanDerWaalsContact C-N 3.31Å; R371-A373 PolarHBondContact O-N 2.65Å
374V98.4Very high97.2Very high7 Ų741.9 Ų41.94%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-98.2134.6174.9-174.60000110.2V348 W350 Y370 R371 R372 V376 K395V348-V374 HydrophobicContact CG1-CG1 3.48Å; V348-V374 VanDerWaalsContact CG1-CG1 3.48Å; V348-V374 HydrophobicContact CG1-CG2 4.47Å; W350-V374 HydrophobicContact CD2-CG2 4.41Å; W350-V374 HydrophobicContact CE3-CG2 3.86Å; W350-V374 HydrophobicContact CH2-CG2 3.89Å; W350-V374 HydrophobicContact CZ2-CG2 4.4Å; W350-V374 HydrophobicContact CZ3-CG2 3.59Å; Y370-V374 WeakPolarHBondContact CA-O 3.46Å; R371-V374 PolarHBondContact N-O 3.15Å; R371-V374 PolarHBondContact O-N 2.87Å; R371-V374 VanDerWaalsContact O-N 3.15Å; R372-V374 PolarHBondContact O-N 3.35Å; R372-V374 VanDerWaalsContact O-N 3.09Å; V374-V376 PolarHBondContact O-N 2.63Å; V374-K395 HydrophobicContact CB-CG 4.43Å; V374-K395 HydrophobicContact CG1-CD 4.26Å; V374-K395 HydrophobicContact CG1-CG 3.66Å
375C98.6Very high97.2Very high0 Ų039.4 Ų39.40%021%0.209CC..EExtended strand (participates in β ladder)trans-65126.2172.71790000110.5K349 C366 Y370 Y377 K395K349-C375 HydrophobicContact CB-CB 3.65Å; K349-C375 WeakPolarHBondContact O-CB 3.28Å; K349-C375 PolarHBondContact O-N 2.99Å; C366-C375 HydrophobicContact CB-CB 3.71Å; C366-C375 WeakPolarHBondContact CB-SG 3.3Å; C366-C375 VanDerWaalsContact SG-CA 3.59Å; C366-C375 WeakPolarHBondContact SG-CB 3.42Å; C366-C375 CovalentContact SG-SG 2.03Å; C366-C375 PolarHBondContact SG-SG 3.44Å; Y370-C375 HydrophobicContact CD1-CB 4.2Å; Y370-C375 HydrophobicContact CE1-CB 4.01Å; C375-Y377 HydrophobicContact CB-CD1 4.41Å; C375-Y377 HydrophobicContact CB-CE1 4.24Å; C375-Y377 WeakPolarHBondContact SG-CD1 3.18Å; C375-K395 PolarHBondContact O-N 2.82Å; C375-K395 VanDerWaalsContact O-N 3.14Å
376V98.6Very high97.2Very high4 Ų438 Ų382%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-91.5107.4158.6-1730000105.6G368 T369 R371 V374 K395 D397 V400G368-V376 WeakPolarHBondContact CA-O 3.43Å; T369-V376 HydrophobicContact CG2-CB 4.15Å; T369-V376 HydrophobicContact CG2-CG2 4.43Å; T369-V376 PolarHBondContact N-O 3.09Å; T369-V376 VanDerWaalsContact N-O 3.11Å; T369-V376 PolarHBondContact O-N 2.96Å; R371-V376 HydrophobicContact CB-CG2 4.1Å; R371-V376 HydrophobicContact CG-CG2 3.84Å; V374-V376 PolarHBondContact O-N 2.63Å; V376-K395 CarbonylContact C-O 3.58Å; V376-K395 WeakPolarHBondContact CA-O 3.34Å; V376-D397 HydrophobicContact CG1-CB 3.64Å; V376-V400 HydrophobicContact CB-CG1 4.42Å; V376-V400 HydrophobicContact CB-CG2 4.35Å; V376-V400 HydrophobicContact CG1-CB 3.9Å; V376-V400 HydrophobicContact CG1-CG1 4.06Å; V376-V400 HydrophobicContact CG1-CG2 3.77Å
377Y98.6Very high97Very high0 Ų044.5 Ų44.50%022%0.22CC..  trans-61.8142.6-167.5-66-64.1000112.4V347 V348 K349 C375 D381 L385 A393 N394 K395 F396V347-Y377 PolarHBondContact O-OH 2.87Å; V348-Y377 WeakPolarHBondContact CA-OH 3.41Å; K349-Y377 HydrophobicContact CB-CE1 4.22Å; K349-Y377 HydrophobicContact CD-CE1 3.98Å; K349-Y377 HydrophobicContact CG-CE1 3.89Å; K349-Y377 PolarHBondContact N-OH 3.46Å; K349-Y377 VanDerWaalsContact N-OH 3.16Å; C375-Y377 HydrophobicContact CB-CD1 4.41Å; C375-Y377 HydrophobicContact CB-CE1 4.24Å; C375-Y377 WeakPolarHBondContact SG-CD1 3.18Å; Y377-D381 HydrophobicContact CD1-CB 3.7Å; Y377-D381 HydrophobicContact CG-CB 4.36Å; Y377-L385 HydrophobicContact CD1-CD1 3.94Å; Y377-L385 HydrophobicContact CD1-CD2 4.37Å; Y377-L385 HydrophobicContact CD1-CG 4.46Å; Y377-L385 HydrophobicContact CD2-CD1 4.02Å; Y377-L385 HydrophobicContact CD2-CD2 4.44Å; Y377-L385 HydrophobicContact CE1-CD1 4.33Å; Y377-L385 HydrophobicContact CE1-CD2 3.91Å; Y377-L385 HydrophobicContact CE1-CG 4.42Å; Y377-L385 HydrophobicContact CE2-CD1 4.4Å; Y377-L385 HydrophobicContact CE2-CD2 3.99Å; Y377-L385 HydrophobicContact CG-CD1 3.78Å; Y377-A393 HydrophobicContact CD2-CB 4.46Å; Y377-A393 HydrophobicContact CE2-CB 3.89Å; Y377-N394 WeakPolarHBondContact CE2-O 3.3Å; Y377-N394 PolarHBondContact OH-O 3.25Å; Y377-K395 VanDerWaalsContact CD2-O 3.28Å; Y377-K395 WeakPolarHBondContact CD2-O 3.18Å; Y377-K395 PolarHBondContact N-O 3.38Å; Y377-F396 HydrophobicContact CD2-CD2 4.41Å; Y377-F396 HydrophobicContact CD2-CE1 4.03Å; Y377-F396 AromaticContact CD2-CE2 3.91Å; Y377-F396 HydrophobicContact CD2-CE2 3.91Å; Y377-F396 AromaticContact CD2-CZ 3.7Å; Y377-F396 HydrophobicContact CD2-CZ 3.7Å; Y377-F396 HydrophobicContact CE2-CE2 4.47Å; Y377-F396 HydrophobicContact CE2-CZ 4.47Å; Y377-F396 HydrophobicContact CG-CE1 4.33Å; Y377-F396 HydrophobicContact CG-CZ 4.36Å
378G97.3Very high97Very high0 Ų040.5 Ų40.50%020%0.2CC..  trans-106.1173.1168.400000111.5G380 D381 D401G378-G380 PolarHBondContact O-N 3.46Å; G378-G380 VanDerWaalsContact O-N 3.16Å; G378-D381 PolarHBondContact N-OD2 3.01Å; G378-D381 VanDerWaalsContact N-OD2 3.11Å; G378-D381 WeakPolarHBondContact O-CB 3.4Å; G378-D381 PolarHBondContact O-N 2.73Å; G378-D401 VanDerWaalsContact CA-OD2 3.23Å; G378-D401 WeakPolarHBondContact CA-OD2 3.43Å
379A95.6Very high97Very high11 Ų1143.6 Ų43.69%0.09121%0.206CC..G310 helixtrans-60.6-28.4-178.100000113I58 D381 L382 D401 I403I58-A379 HydrophobicContact CG2-CB 3.8Å; A379-D381 PolarHBondContact O-N 2.86Å; A379-L382 WeakPolarHBondContact O-CB 3.49Å; A379-L382 VanDerWaalsContact O-CG 3.24Å; A379-L382 WeakPolarHBondContact O-CG 3.48Å; A379-L382 PolarHBondContact O-N 3.46Å; A379-D401 PolarHBondContact N-OD2 2.99Å; A379-I403 HydrophobicContact CB-CG2 4.1Å
380G95.4Very high97.1Very high42 Ų4240.7 Ų40.743%0.43319%0.188SC..G310 helixtrans-70.2-9.2173.800000115.2Y364 G378Y364-G380 PolarHBondContact OH-O 2.85Å; G378-G380 PolarHBondContact O-N 3.46Å; G378-G380 VanDerWaalsContact O-N 3.16Å
381D97.6Very high97.1Very high0 Ų036.9 Ų36.90%017%0.174CC..G310 helixtrans-86.7-14174.5-69.6-66.1000112.9K349 Y364 M367 G368 Y377 G378 A379 L383 W384 L385K349-D381 IonicContact NZ-OD1 3.76Å; K349-D381 PolarHBondContact NZ-OD1 3.48Å; Y364-D381 WeakPolarHBondContact CE2-OD1 3.47Å; Y364-D381 WeakPolarHBondContact OH-CA 3.49Å; Y364-D381 PolarHBondContact OH-O 2.88Å; M367-D381 WeakPolarHBondContact CA-OD2 3.47Å; M367-D381 PolarHBondContact N-OD1 3.11Å; M367-D381 PolarHBondContact N-OD2 2.91Å; G368-D381 PolarHBondContact N-OD2 3.41Å; Y377-D381 HydrophobicContact CD1-CB 3.7Å; Y377-D381 HydrophobicContact CG-CB 4.36Å; G378-D381 PolarHBondContact N-OD2 3.01Å; G378-D381 VanDerWaalsContact N-OD2 3.11Å; G378-D381 WeakPolarHBondContact O-CB 3.4Å; G378-D381 PolarHBondContact O-N 2.73Å; A379-D381 PolarHBondContact O-N 2.86Å; D381-L383 PolarHBondContact O-N 3.2Å; D381-W384 PolarHBondContact O-N 2.88Å; D381-L385 HydrophobicContact CB-CD1 4.1Å; D381-L385 HydrophobicContact CB-CG 4.48Å; D381-L385 WeakPolarHBondContact O-CG 3.42Å; D381-L385 PolarHBondContact O-N 3.11Å
382L97.3Very high97.2Very high0 Ų032.1 Ų32.10%016%0.156CC..Hα-helixtrans-65.3-41.9-165.9-67.2-177.2000114.5I59 A379 W384 L385 L386 C407 L408I59-L382 HydrophobicContact CD1-CB 4.46Å; I59-L382 HydrophobicContact CD1-CD1 4.22Å; I59-L382 HydrophobicContact CG1-CB 3.79Å; I59-L382 HydrophobicContact CG1-CD1 3.94Å; A379-L382 WeakPolarHBondContact O-CB 3.49Å; A379-L382 VanDerWaalsContact O-CG 3.24Å; A379-L382 WeakPolarHBondContact O-CG 3.48Å; A379-L382 PolarHBondContact O-N 3.46Å; L382-W384 PolarHBondContact O-N 3.46Å; L382-L385 HydrophobicContact CD2-CD1 4.27Å; L382-L385 PolarHBondContact O-N 3.42Å; L382-L386 WeakPolarHBondContact O-CB 3.49Å; L382-L386 WeakPolarHBondContact O-CG 3.43Å; L382-L386 PolarHBondContact O-N 3.32Å; L382-C407 HydrophobicContact CD1-CB 3.48Å; L382-C407 VanDerWaalsContact CD1-CB 3.48Å; L382-L408 HydrophobicContact CD2-CD1 3.85Å; L382-L408 HydrophobicContact CD2-CD2 3.91Å; L382-L408 HydrophobicContact CD2-CG 3.61Å
383L95.3Very high97.3Very high45 Ų4523.3 Ų23.324%0.23612%0.122CC..Hα-helixtrans-57.1-43.2179.2-176.756.9000111.8I59 D381 R387 L425I59-L383 HydrophobicContact CG2-CB 4.28Å; I59-L383 HydrophobicContact CG2-CD1 3.97Å; I59-L383 VanDerWaalsContact O-CB 3.27Å; I59-L383 WeakPolarHBondContact O-CB 3.4Å; I59-L383 WeakPolarHBondContact O-CD2 3.43Å; D381-L383 PolarHBondContact O-N 3.2Å; L383-R387 VanDerWaalsContact O-CG 3.32Å; L383-R387 WeakPolarHBondContact O-CG 3.48Å; L383-R387 PolarHBondContact O-N 3.37Å; L383-L425 HydrophobicContact CD1-CD1 4.1Å
384W95.8Very high97.4Very high33 Ų3322 Ų2213%0.12511%0.111CC..Hα-helixtrans-71.8-44.7179.2177.984000111.6M341 V347 K349 Y363 Y364 D381 L382 L386 R387 Q388M341-W384 HydrophobicContact CE-CH2 4.4Å; M341-W384 HydrophobicContact CE-CZ2 3.97Å; V347-W384 HydrophobicContact CG2-CH2 3.4Å; V347-W384 VanDerWaalsContact CG2-CH2 3.4Å; V347-W384 HydrophobicContact CG2-CZ2 4.43Å; V347-W384 HydrophobicContact CG2-CZ3 3.75Å; K349-W384 HydrophobicContact CD-CZ3 4.24Å; K349-W384 VanDerWaalsContact CE-CE3 3.43Å; K349-W384 VanDerWaalsContact CE-CZ3 3.41Å; K349-W384 HydrophobicContact CG-CH2 4.02Å; K349-W384 HydrophobicContact CG-CZ3 3.94Å; Y363-W384 VanDerWaalsContact CB-CZ2 3.46Å; Y363-W384 HydrophobicContact CD1-CH2 4.03Å; Y363-W384 AromaticContact CD1-CZ2 4Å; Y363-W384 HydrophobicContact CD1-CZ2 4Å; Y363-W384 HydrophobicContact CG-CH2 4.27Å; Y363-W384 HydrophobicContact CG-CZ2 4.13Å; Y364-W384 HydrophobicContact CD1-CG 4.23Å; Y364-W384 HydrophobicContact CE1-CB 3.32Å; Y364-W384 AromaticContact CE1-CD1 3.58Å; Y364-W384 HydrophobicContact CE1-CD2 4.12Å; Y364-W384 AromaticContact CE1-CG 3.36Å; Y364-W384 HydrophobicContact CE1-CG 3.36Å; Y364-W384 WeakPolarHBondContact OH-CB 3.19Å; D381-W384 PolarHBondContact O-N 2.88Å; L382-W384 PolarHBondContact O-N 3.46Å; W384-L386 VanDerWaalsContact C-N 3.33Å; W384-L386 PolarHBondContact O-N 2.87Å; W384-R387 PolarHBondContact O-N 3.38Å; W384-R387 VanDerWaalsContact O-N 3.12Å; W384-Q388 HydrophobicContact CD2-CG 4.3Å; W384-Q388 VanDerWaalsContact CE2-NE2 3.35Å; W384-Q388 HydrophobicContact CE3-CG 4.29Å; W384-Q388 HydrophobicContact CH2-CG 4.18Å; W384-Q388 HydrophobicContact CZ2-CG 4.16Å; W384-Q388 HydrophobicContact CZ3-CG 4.24Å; W384-Q388 VanDerWaalsContact O-CG 3.31Å; W384-Q388 WeakPolarHBondContact O-CG 3.42Å; W384-Q388 PolarHBondContact O-N 2.93Å; W384-Q388 PolarHBondContact O-NE2 3.4Å
385L97.6Very high97.3Very high0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-55.1-48.2176.8-75.4171.8000111.7I218 V347 Y377 D381 L382 R387 Q388 A393 F396I218-L385 VanDerWaalsContact CD1-O 3.26Å; I218-L385 WeakPolarHBondContact CD1-O 3.47Å; I218-L385 HydrophobicContact CG2-CB 4.37Å; V347-L385 HydrophobicContact CG1-CD2 3.72Å; Y377-L385 HydrophobicContact CD1-CD1 3.94Å; Y377-L385 HydrophobicContact CD1-CD2 4.37Å; Y377-L385 HydrophobicContact CD1-CG 4.46Å; Y377-L385 HydrophobicContact CD2-CD1 4.02Å; Y377-L385 HydrophobicContact CD2-CD2 4.44Å; Y377-L385 HydrophobicContact CE1-CD1 4.33Å; Y377-L385 HydrophobicContact CE1-CD2 3.91Å; Y377-L385 HydrophobicContact CE1-CG 4.42Å; Y377-L385 HydrophobicContact CE2-CD1 4.4Å; Y377-L385 HydrophobicContact CE2-CD2 3.99Å; Y377-L385 HydrophobicContact CG-CD1 3.78Å; D381-L385 HydrophobicContact CB-CD1 4.1Å; D381-L385 HydrophobicContact CB-CG 4.48Å; D381-L385 WeakPolarHBondContact O-CG 3.42Å; D381-L385 PolarHBondContact O-N 3.11Å; L382-L385 HydrophobicContact CD2-CD1 4.27Å; L382-L385 PolarHBondContact O-N 3.42Å; L385-R387 PolarHBondContact O-N 3.45Å; L385-Q388 WeakPolarHBondContact O-CB 3.25Å; L385-Q388 PolarHBondContact O-N 3.4Å; L385-A393 HydrophobicContact CD2-CB 3.73Å; L385-F396 HydrophobicContact CD1-CE1 4.33Å; L385-F396 HydrophobicContact CD1-CZ 4.01Å
386L96Very high97.3Very high34 Ų3423.5 Ų23.518%0.17812%0.117CC..Hα-helixtrans-67.6-19.4-178.2-70.4167000113.4I59 L382 W384 L408 V411 L422I59-L386 HydrophobicContact CD1-CD1 3.98Å; I59-L386 HydrophobicContact CG2-CD1 4.32Å; L382-L386 WeakPolarHBondContact O-CB 3.49Å; L382-L386 WeakPolarHBondContact O-CG 3.43Å; L382-L386 PolarHBondContact O-N 3.32Å; W384-L386 VanDerWaalsContact C-N 3.33Å; W384-L386 PolarHBondContact O-N 2.87Å; L386-L408 HydrophobicContact CD1-CD2 4.34Å; L386-L408 HydrophobicContact CD2-CD2 3.71Å; L386-L408 HydrophobicContact CG-CD2 4.06Å; L386-V411 HydrophobicContact CD1-CG1 4.32Å; L386-L422 HydrophobicContact CD1-CD1 3.6Å
387R95Very high97.2Very high152 Ų15223.6 Ų23.657%0.57412%0.117SC*.Hα-helixtrans-85-11.3172.5-72.9174.9175.7172.91113.8L383 W384 L385L383-R387 VanDerWaalsContact O-CG 3.32Å; L383-R387 WeakPolarHBondContact O-CG 3.48Å; L383-R387 PolarHBondContact O-N 3.37Å; W384-R387 PolarHBondContact O-N 3.38Å; W384-R387 VanDerWaalsContact O-N 3.12Å; L385-R387 PolarHBondContact O-N 3.45Å
388Q96.7Very high96.9Very high32 Ų3224.4 Ų24.415%0.1512%0.123CC..SBendtrans-75.9152.7179.5-56-45.5-60.500111.5I218 K219 V347 W384 L385 H390I218-Q388 HydrophobicContact CD1-CB 4.16Å; K219-Q388 WeakPolarHBondContact CE-O 3.4Å; K219-Q388 PolarHBondContact NZ-O 3.33Å; V347-Q388 HydrophobicContact CG2-CG 4.26Å; W384-Q388 HydrophobicContact CD2-CG 4.3Å; W384-Q388 VanDerWaalsContact CE2-NE2 3.35Å; W384-Q388 HydrophobicContact CE3-CG 4.29Å; W384-Q388 HydrophobicContact CH2-CG 4.18Å; W384-Q388 HydrophobicContact CZ2-CG 4.16Å; W384-Q388 HydrophobicContact CZ3-CG 4.24Å; W384-Q388 VanDerWaalsContact O-CG 3.31Å; W384-Q388 WeakPolarHBondContact O-CG 3.42Å; W384-Q388 PolarHBondContact O-N 2.93Å; W384-Q388 PolarHBondContact O-NE2 3.4Å; L385-Q388 WeakPolarHBondContact O-CB 3.25Å; L385-Q388 PolarHBondContact O-N 3.4Å; Q388-H390 VanDerWaalsContact C-N 3.3Å
389Q96.9Very high96.6Very high96 Ų9629.2 Ų29.245%0.44915%0.145SC..SBendtrans-75.5-19.2177.663-178.2-30.200113.7M341 L342 L344M341-Q389 PolarHBondContact O-NE2 2.93Å; M341-Q389 VanDerWaalsContact O-NE2 3.08Å; L342-Q389 PolarHBondContact O-NE2 3.21Å; L344-Q389 HydrophobicContact CD2-CB 4.28Å; L344-Q389 HydrophobicContact CD2-CG 4.2Å
390H98.8Very high96.5Very high0 Ų029.8 Ų29.80%015%0.147CC..  trans-60.4154-175.7-50.472.3000111.8I218 K219 D340 M341 A343 L344 R346 V347 Q388I218-H390 HydrophobicContact CD1-CB 4.18Å; I218-H390 VanDerWaalsContact CD1-O 3.22Å; I218-H390 WeakPolarHBondContact CD1-O 3.5Å; I218-H390 VanDerWaalsContact CG1-O 3.25Å; I218-H390 WeakPolarHBondContact CG1-O 3.42Å; K219-H390 WeakPolarHBondContact CG-O 3.34Å; K219-H390 PolarHBondContact NZ-O 3.38Å; D340-H390 PolarHBondContact O-NE2 3.1Å; M341-H390 PolarHBondContact O-CE1 2.92Å; A343-H390 PolarHBondContact O-CD2 2.71Å; A343-H390 PolarHBondContact O-NE2 3.24Å; A343-H390 VanDerWaalsContact O-NE2 3.15Å; L344-H390 CarbonylContact O-C 3.56Å; L344-H390 VanDerWaalsContact O-CA 3.32Å; L344-H390 WeakPolarHBondContact O-CA 3.1Å; R346-H390 PolarHBondContact O-CD2 3.33Å; V347-H390 HydrophobicContact CB-CB 4Å; V347-H390 HydrophobicContact CG1-CB 4.23Å; V347-H390 PolarHBondContact N-CD2 2.92Å; Q388-H390 VanDerWaalsContact C-N 3.3Å
391L98.8Very high96.4Very high0 Ų028.3 Ų28.30%013%0.13CC..SBendtrans-81.8-34.8179.3-54.1-174.5000111.2L209 I218 K219 M224 A227 L228 V284 L344L209-L391 HydrophobicContact CD2-CD1 3.58Å; I218-L391 PolarHBondContact N-O 3.4Å; K219-L391 HydrophobicContact CG-CD2 4.27Å; M224-L391 HydrophobicContact CG-CB 4.4Å; M224-L391 HydrophobicContact CG-CD2 4.19Å; A227-L391 HydrophobicContact CB-CD2 3.95Å; L228-L391 HydrophobicContact CD2-CD1 4.21Å; V284-L391 HydrophobicContact CG2-CD1 4.04Å; L344-L391 HydrophobicContact CB-CG 4.3Å; L344-L391 PolarHBondContact O-N 3.13Å
392F98.9Very high96.2Very high2 Ų230.2 Ų30.21%0.00914%0.14CC..EExtended strand (participates in β ladder)trans-135.4159.7-178-70.2-96.6000111.8Y120 L134 I138 L209 T211 F216 P217 M224 R346 V347Y120-F392 HydrophobicContact CD1-CZ 4.47Å; Y120-F392 HydrophobicContact CE1-CE2 4.08Å; Y120-F392 AromaticContact CE1-CZ 3.72Å; Y120-F392 HydrophobicContact CE1-CZ 3.72Å; L134-F392 HydrophobicContact CD1-CE1 4.09Å; I138-F392 HydrophobicContact CG2-CE1 3.76Å; I138-F392 HydrophobicContact CG2-CZ 3.82Å; L209-F392 HydrophobicContact CD2-CD2 4.44Å; L209-F392 HydrophobicContact CD2-CE2 3.77Å; T211-F392 HydrophobicContact CG2-CD1 4.29Å; T211-F392 HydrophobicContact CG2-CE1 3.93Å; T211-F392 HydrophobicContact CG2-CZ 4.13Å; F216-F392 WeakPolarHBondContact O-CA 3.31Å; P217-F392 HydrophobicContact CB-CD1 4.15Å; P217-F392 HydrophobicContact CB-CE1 3.91Å; P217-F392 HydrophobicContact CB-CZ 4.44Å; M224-F392 HydrophobicContact CE-CD2 4.36Å; M224-F392 HydrophobicContact CE-CE1 4.38Å; M224-F392 HydrophobicContact CE-CE2 3.68Å; M224-F392 HydrophobicContact CE-CZ 3.68Å; M224-F392 HydrophobicContact SD-CE2 3.9Å; M224-F392 HydrophobicContact SD-CZ 4.19Å; R346-F392 WeakPolarHBondContact CA-O 3.24Å; V347-F392 PolarHBondContact N-O 3.05Å
393A98.8Very high96.1Very high0 Ų030.3 Ų30.30%014%0.14CC..EExtended strand (participates in β ladder)trans-123.8151.1173.500000111.4D215 F216 I218 V347 Y377 L385 F396D215-A393 WeakPolarHBondContact CA-O 3.43Å; F216-A393 PolarHBondContact N-O 3.16Å; F216-A393 VanDerWaalsContact N-O 3.16Å; F216-A393 PolarHBondContact O-N 2.89Å; I218-A393 HydrophobicContact CG2-CB 3.81Å; V347-A393 HydrophobicContact CG1-CB 3.44Å; V347-A393 VanDerWaalsContact CG1-CB 3.44Å; V347-A393 WeakPolarHBondContact O-CA 3.31Å; Y377-A393 HydrophobicContact CD2-CB 4.46Å; Y377-A393 HydrophobicContact CE2-CB 3.89Å; L385-A393 HydrophobicContact CD2-CB 3.73Å; A393-F396 HydrophobicContact CB-CE2 3.71Å; A393-F396 HydrophobicContact CB-CZ 3.98Å; A393-F396 WeakPolarHBondContact O-CE2 3.35Å
394N98.6Very high96.2Very high4 Ų428.2 Ų28.22%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-135.6127.6176.2-167.7-119.3000110.4T214 D215 Y282 R346 V347 V348 Y377T214-N394 PolarHBondContact O-ND2 3.18Å; T214-N394 PolarHBondContact OG1-ND2 3.24Å; T214-N394 VanDerWaalsContact OG1-ND2 3.15Å; D215-N394 WeakPolarHBondContact OD1-CB 3.28Å; D215-N394 PolarHBondContact OD1-ND2 2.61Å; Y282-N394 PolarHBondContact OH-OD1 3.08Å; R346-N394 HydrophobicContact CG-CB 3.81Å; V347-N394 PolarHBondContact O-N 2.88Å; V348-N394 HydrophobicContact CG2-CB 4.08Å; Y377-N394 WeakPolarHBondContact CE2-O 3.3Å; Y377-N394 PolarHBondContact OH-O 3.25Å
395K97.9Very high96.2Very high39 Ų3926.6 Ų26.617%0.1712%0.123CC..  cis-123.4158.412.9-30.7-149.8165.2167.30112.7T214 V374 C375 V376 Y377T214-K395 WeakPolarHBondContact O-CA 3.15Å; V374-K395 HydrophobicContact CB-CG 4.43Å; V374-K395 HydrophobicContact CG1-CD 4.26Å; V374-K395 HydrophobicContact CG1-CG 3.66Å; C375-K395 PolarHBondContact O-N 2.82Å; C375-K395 VanDerWaalsContact O-N 3.14Å; V376-K395 CarbonylContact C-O 3.58Å; V376-K395 WeakPolarHBondContact CA-O 3.34Å; Y377-K395 VanDerWaalsContact CD2-O 3.28Å; Y377-K395 WeakPolarHBondContact CD2-O 3.18Å; Y377-K395 PolarHBondContact N-O 3.38Å
396F98.1Very high96.1Very high0 Ų028.4 Ų28.40%013%0.13CC..  trans-121.7145.8169.8-62.6-90.9000111M130 T214 F216 Y377 L385 A393 I405 L408M130-F396 HydrophobicContact CE-CB 4.07Å; T214-F396 PolarHBondContact O-N 3.2Å; F216-F396 HydrophobicContact CB-CD2 3.32Å; F216-F396 HydrophobicContact CB-CE2 3.44Å; F216-F396 VanDerWaalsContact CB-CE2 3.44Å; F216-F396 HydrophobicContact CB-CG 3.95Å; F216-F396 HydrophobicContact CB-CZ 4.16Å; F216-F396 HydrophobicContact CG-CD2 4.48Å; Y377-F396 HydrophobicContact CD2-CD2 4.41Å; Y377-F396 HydrophobicContact CD2-CE1 4.03Å; Y377-F396 AromaticContact CD2-CE2 3.91Å; Y377-F396 HydrophobicContact CD2-CE2 3.91Å; Y377-F396 AromaticContact CD2-CZ 3.7Å; Y377-F396 HydrophobicContact CD2-CZ 3.7Å; Y377-F396 HydrophobicContact CE2-CE2 4.47Å; Y377-F396 HydrophobicContact CE2-CZ 4.47Å; Y377-F396 HydrophobicContact CG-CE1 4.33Å; Y377-F396 HydrophobicContact CG-CZ 4.36Å; L385-F396 HydrophobicContact CD1-CE1 4.33Å; L385-F396 HydrophobicContact CD1-CZ 4.01Å; A393-F396 HydrophobicContact CB-CE2 3.71Å; A393-F396 HydrophobicContact CB-CZ 3.98Å; A393-F396 WeakPolarHBondContact O-CE2 3.35Å; F396-I405 HydrophobicContact CB-CD1 4.1Å; F396-I405 HydrophobicContact CB-CG1 3.96Å; F396-I405 HydrophobicContact CD1-CG1 4.04Å; F396-I405 HydrophobicContact CG-CG1 4.34Å; F396-L408 HydrophobicContact CD1-CD1 4.39Å; F396-L408 HydrophobicContact CE1-CD1 3.47Å; F396-L408 VanDerWaalsContact CE1-CD1 3.47Å; F396-L408 HydrophobicContact CE2-CD1 4.41Å; F396-L408 HydrophobicContact CZ-CD1 3.47Å; F396-L408 VanDerWaalsContact CZ-CD1 3.47Å
397D95.4Very high96.2Very high6 Ų626.8 Ų26.83%0.03212%0.121CC..  trans-150.3118.8175.5-169.9-17.8000109.6K127 R371 V376 E399 V400 D401K127-D397 IonicContact NZ-OD1 3.19Å; K127-D397 PolarHBondContact NZ-OD1 2.95Å; K127-D397 IonicContact NZ-OD2 3.36Å; K127-D397 PolarHBondContact NZ-OD2 2.98Å; R371-D397 IonicContact CZ-OD2 3.9Å; R371-D397 IonicContact NH1-OD2 3.5Å; R371-D397 PolarHBondContact NH1-OD2 2.74Å; R371-D397 IonicContact NH2-OD2 3.01Å; R371-D397 PolarHBondContact NH2-OD2 2.76Å; V376-D397 HydrophobicContact CG1-CB 3.64Å; D397-E399 PolarHBondContact O-N 3.18Å; D397-E399 VanDerWaalsContact O-N 3.14Å; D397-E399 WeakPolarHBondContact OD1-CB 3.39Å; D397-E399 PolarHBondContact OD1-N 3.05Å; D397-V400 HydrophobicContact CB-CB 4.31Å; D397-V400 HydrophobicContact CB-CG2 3.99Å; D397-V400 WeakPolarHBondContact O-CB 3.38Å; D397-V400 PolarHBondContact O-N 3.13Å; D397-D401 PolarHBondContact O-N 3.13Å; D397-D401 VanDerWaalsContact O-N 3.08Å
398P92.3Very high96.3Very high17 Ų1719.5 Ų19.511%0.119%0.094CC..Hα-helixtrans-63.4-22.4-17825.6-33.8000111.9M130 V400 D402 I405M130-P398 HydrophobicContact CG-CG 3.91Å; M130-P398 WeakPolarHBondContact SD-CD 3.42Å; M130-P398 HydrophobicContact SD-CG 3.98Å; P398-V400 VanDerWaalsContact C-N 3.28Å; P398-V400 PolarHBondContact O-N 3.31Å; P398-D402 HydrophobicContact CB-CB 4.2Å; P398-D402 PolarHBondContact O-N 3.23Å; P398-I405 HydrophobicContact CB-CD1 4.08Å
399E91.4Very high96.3Very high100 Ų10018.5 Ų18.547%0.4679%0.089SC..Hα-helixtrans-71.5-24175.6-64.1174.2163.200113K80 K127 D397K80-E399 PolarHBondContact NZ-O 3.42Å; K127-E399 IonicContact NZ-OE1 3.94Å; K127-E399 IonicContact NZ-OE2 2.73Å; K127-E399 PolarHBondContact NZ-OE2 3.13Å; D397-E399 PolarHBondContact O-N 3.18Å; D397-E399 VanDerWaalsContact O-N 3.14Å; D397-E399 WeakPolarHBondContact OD1-CB 3.39Å; D397-E399 PolarHBondContact OD1-N 3.05Å
400V93Very high96.3Very high23 Ų2313.9 Ų13.914%0.1397%0.068CC..Hα-helixtrans-86.9-57.1175.5175.50000110R77 T369 V376 D397 P398R77-V400 PolarHBondContact NH2-O 3.39Å; T369-V400 HydrophobicContact CG2-CG1 3.8Å; T369-V400 HydrophobicContact CG2-CG2 3.87Å; V376-V400 HydrophobicContact CB-CG1 4.42Å; V376-V400 HydrophobicContact CB-CG2 4.35Å; V376-V400 HydrophobicContact CG1-CB 3.9Å; V376-V400 HydrophobicContact CG1-CG1 4.06Å; V376-V400 HydrophobicContact CG1-CG2 3.77Å; D397-V400 HydrophobicContact CB-CB 4.31Å; D397-V400 HydrophobicContact CB-CG2 3.99Å; D397-V400 WeakPolarHBondContact O-CB 3.38Å; D397-V400 PolarHBondContact O-N 3.13Å; P398-V400 VanDerWaalsContact C-N 3.28Å; P398-V400 PolarHBondContact O-N 3.31Å
401D93.9Very high96.2Very high12 Ų1214 Ų146%0.0647%0.068CC..Hα-helixtrans-156.386.9-176.1-163.4-29.5000111G378 A379 D397 I403 S404G378-D401 VanDerWaalsContact CA-OD2 3.23Å; G378-D401 WeakPolarHBondContact CA-OD2 3.43Å; A379-D401 PolarHBondContact N-OD2 2.99Å; D397-D401 PolarHBondContact O-N 3.13Å; D397-D401 VanDerWaalsContact O-N 3.08Å; D401-I403 VanDerWaalsContact C-N 3.25Å; D401-I403 PolarHBondContact O-N 2.78Å; D401-I403 WeakPolarHBondContact OD1-CB 3.46Å; D401-I403 PolarHBondContact OD1-N 3.47Å; D401-I403 VanDerWaalsContact OD1-N 3.15Å; D401-S404 WeakPolarHBondContact O-CB 3.29Å; D401-S404 PolarHBondContact O-N 3.39Å; D401-S404 PolarHBondContact O-OG 3.09Å; D401-S404 PolarHBondContact OD1-N 3.43Å
402D94.3Very high96.1Very high40 Ų4014.6 Ų14.621%0.2147%0.071CC..Hα-helixtrans-62.9-30.4174.6-178.255.8000113.6R133 P398 S404 I405 R406R133-D402 IonicContact CZ-OD1 3.51Å; R133-D402 IonicContact NH1-OD1 2.71Å; R133-D402 PolarHBondContact NH1-OD1 3.26Å; R133-D402 IonicContact NH2-OD1 2.66Å; P398-D402 HydrophobicContact CB-CB 4.2Å; P398-D402 PolarHBondContact O-N 3.23Å; D402-S404 VanDerWaalsContact C-N 3.26Å; D402-S404 PolarHBondContact O-N 3.12Å; D402-I405 PolarHBondContact O-N 3.11Å; D402-I405 VanDerWaalsContact O-N 3.09Å; D402-R406 PolarHBondContact O-N 3.12Å; D402-R406 WeakPolarHBondContact OD2-CD 3.41Å; D402-R406 IonicContact OD2-NH1 3.81Å
403I95Very high96Very high2 Ų215.3 Ų15.31%0.017%0.074CC..Hα-helixtrans-62.9-39179.3-62.2173.6000109.6I58 L73 L74 R77 A379 D401 I405 R406 C407I58-I403 HydrophobicContact CD1-CG2 3.96Å; L73-I403 HydrophobicContact CD1-CG2 4.43Å; L73-I403 HydrophobicContact CD2-CG2 3.86Å; L73-I403 HydrophobicContact CG-CD1 4.38Å; L73-I403 HydrophobicContact CG-CG1 4.36Å; L73-I403 HydrophobicContact CG-CG2 3.94Å; L73-I403 WeakPolarHBondContact O-CD1 3.43Å; L74-I403 HydrophobicContact CD2-CD1 3.77Å; R77-I403 HydrophobicContact CB-CD1 4.18Å; A379-I403 HydrophobicContact CB-CG2 4.1Å; D401-I403 VanDerWaalsContact C-N 3.25Å; D401-I403 PolarHBondContact O-N 2.78Å; D401-I403 WeakPolarHBondContact OD1-CB 3.46Å; D401-I403 PolarHBondContact OD1-N 3.47Å; D401-I403 VanDerWaalsContact OD1-N 3.15Å; I403-I405 PolarHBondContact O-N 3.47Å; I403-R406 PolarHBondContact O-N 3.14Å; I403-C407 WeakPolarHBondContact O-CB 3.21Å; I403-C407 PolarHBondContact O-N 3.28Å; I403-C407 PolarHBondContact O-SG 3.35Å
404S96.2Very high95.8Very high0 Ų017 Ų170%08%0.081CC..Hα-helixtrans-54.5-40.4175.476.40000112.5D401 D402 L408D401-S404 WeakPolarHBondContact O-CB 3.29Å; D401-S404 PolarHBondContact O-N 3.39Å; D401-S404 PolarHBondContact O-OG 3.09Å; D401-S404 PolarHBondContact OD1-N 3.43Å; D402-S404 VanDerWaalsContact C-N 3.26Å; D402-S404 PolarHBondContact O-N 3.12Å; S404-L408 WeakPolarHBondContact O-CG 3.48Å; S404-L408 PolarHBondContact O-N 3.31Å
405I96.7Very high95.6Very high0 Ų018.8 Ų18.80%09%0.089CC..Hα-helixtrans-79-44.7-177.6-52164000110.1M130 R133 F216 F396 P398 D402 I403 C407 L408 E409M130-I405 HydrophobicContact CE-CD1 3.98Å; M130-I405 HydrophobicContact SD-CD1 3.63Å; R133-I405 VanDerWaalsContact NH2-CB 3.32Å; F216-I405 HydrophobicContact CD1-CG2 4.45Å; F216-I405 HydrophobicContact CD2-CG2 3.98Å; F216-I405 HydrophobicContact CE1-CG2 4.08Å; F216-I405 HydrophobicContact CE2-CG2 3.56Å; F216-I405 HydrophobicContact CG-CG2 4.4Å; F216-I405 HydrophobicContact CZ-CG2 3.61Å; F396-I405 HydrophobicContact CB-CD1 4.1Å; F396-I405 HydrophobicContact CB-CG1 3.96Å; F396-I405 HydrophobicContact CD1-CG1 4.04Å; F396-I405 HydrophobicContact CG-CG1 4.34Å; P398-I405 HydrophobicContact CB-CD1 4.08Å; D402-I405 PolarHBondContact O-N 3.11Å; D402-I405 VanDerWaalsContact O-N 3.09Å; I403-I405 PolarHBondContact O-N 3.47Å; I405-C407 VanDerWaalsContact C-N 3.28Å; I405-C407 PolarHBondContact O-N 3.46Å; I405-L408 PolarHBondContact O-N 3.04Å; I405-L408 VanDerWaalsContact O-N 3.16Å; I405-E409 WeakPolarHBondContact O-CG 3.31Å; I405-E409 PolarHBondContact O-N 3.38Å
406R95.9Very high95.4Very high37 Ų3718.4 Ų18.414%0.149%0.093CC..Hα-helixtrans-57.7-42.4176.6-75.3172.760.6-172.2-1.8111.6D51 S76 D402 I403 E409 S410D51-R406 VanDerWaalsContact CG-NH2 3.26Å; D51-R406 IonicContact OD1-CZ 3.2Å; D51-R406 IonicContact OD1-NE 2.65Å; D51-R406 IonicContact OD1-NH2 3.49Å; D51-R406 PolarHBondContact OD1-NH2 3.2Å; D51-R406 IonicContact OD2-CZ 2.8Å; D51-R406 IonicContact OD2-NE 2.83Å; D51-R406 PolarHBondContact OD2-NE 3.01Å; D51-R406 IonicContact OD2-NH2 2.82Å; D51-R406 PolarHBondContact OD2-NH2 3.27Å; D51-R406 VanDerWaalsContact OD2-NH2 3.17Å; S76-R406 PolarHBondContact OG-NH1 2.64Å; D402-R406 PolarHBondContact O-N 3.12Å; D402-R406 WeakPolarHBondContact OD2-CD 3.41Å; D402-R406 IonicContact OD2-NH1 3.81Å; I403-R406 PolarHBondContact O-N 3.14Å; R406-E409 WeakPolarHBondContact O-CB 3.4Å; R406-E409 PolarHBondContact O-N 2.89Å; R406-S410 PolarHBondContact O-N 3.25Å; R406-S410 PolarHBondContact O-OG 2.92Å; R406-S410 VanDerWaalsContact O-OG 3.13Å
407C97.2Very high95Very high0 Ų020.1 Ų20.10%011%0.105CC..Hα-helixtrans-66.9-38.2177.5-66.20000113.4C55 I59 L382 I403 I405 V411C55-C407 WeakPolarHBondContact CA-SG 3.42Å; C55-C407 HydrophobicContact CB-CB 3.53Å; C55-C407 WeakPolarHBondContact CB-SG 3.25Å; C55-C407 WeakPolarHBondContact SG-CA 3.32Å; C55-C407 WeakPolarHBondContact SG-CB 3.3Å; C55-C407 CovalentContact SG-SG 2.04Å; C55-C407 PolarHBondContact SG-SG 3.25Å; I59-C407 HydrophobicContact CD1-CB 4.46Å; L382-C407 HydrophobicContact CD1-CB 3.48Å; L382-C407 VanDerWaalsContact CD1-CB 3.48Å; I403-C407 WeakPolarHBondContact O-CB 3.21Å; I403-C407 PolarHBondContact O-N 3.28Å; I403-C407 PolarHBondContact O-SG 3.35Å; I405-C407 VanDerWaalsContact C-N 3.28Å; I405-C407 PolarHBondContact O-N 3.46Å; C407-V411 VanDerWaalsContact O-CB 3.31Å; C407-V411 WeakPolarHBondContact O-CB 3.48Å; C407-V411 VanDerWaalsContact O-CG2 3.25Å; C407-V411 WeakPolarHBondContact O-CG2 3.45Å; C407-V411 PolarHBondContact O-N 2.78Å
408L97.9Very high94.6Very high0 Ų022.7 Ų22.70%013%0.133CC..Hα-helixtrans-64.2-42.9171.6-74.5173.4000111.7F216 I218 L382 L386 F396 S404 I405 L412F216-L408 HydrophobicContact CD1-CB 3.85Å; F216-L408 HydrophobicContact CD1-CD1 3.89Å; F216-L408 HydrophobicContact CE1-CB 3.81Å; I218-L408 HydrophobicContact CG2-CD1 4.47Å; I218-L408 HydrophobicContact CG2-CD2 4.33Å; L382-L408 HydrophobicContact CD2-CD1 3.85Å; L382-L408 HydrophobicContact CD2-CD2 3.91Å; L382-L408 HydrophobicContact CD2-CG 3.61Å; L386-L408 HydrophobicContact CD1-CD2 4.34Å; L386-L408 HydrophobicContact CD2-CD2 3.71Å; L386-L408 HydrophobicContact CG-CD2 4.06Å; F396-L408 HydrophobicContact CD1-CD1 4.39Å; F396-L408 HydrophobicContact CE1-CD1 3.47Å; F396-L408 VanDerWaalsContact CE1-CD1 3.47Å; F396-L408 HydrophobicContact CE2-CD1 4.41Å; F396-L408 HydrophobicContact CZ-CD1 3.47Å; F396-L408 VanDerWaalsContact CZ-CD1 3.47Å; S404-L408 WeakPolarHBondContact O-CG 3.48Å; S404-L408 PolarHBondContact O-N 3.31Å; I405-L408 PolarHBondContact O-N 3.04Å; I405-L408 VanDerWaalsContact O-N 3.16Å; L408-L412 VanDerWaalsContact O-CB 3.25Å; L408-L412 WeakPolarHBondContact O-CB 3.35Å; L408-L412 WeakPolarHBondContact O-CG 3.3Å; L408-L412 PolarHBondContact O-N 2.86Å
409E97.2Very high94.4Very high10 Ų1028.2 Ų28.25%0.04716%0.158CC..Hα-helixtrans-58-51.6176.5-72175.1138.200111.5F48 R133 R136 F216 I405 R406 R413F48-E409 HydrophobicContact CD1-CB 4.26Å; F48-E409 HydrophobicContact CE1-CB 3.75Å; F48-E409 HydrophobicContact CZ-CB 4.32Å; R133-E409 WeakPolarHBondContact CB-OE1 3.31Å; R133-E409 WeakPolarHBondContact CG-OE1 3.33Å; R133-E409 IonicContact CZ-OE1 3.95Å; R133-E409 IonicContact CZ-OE2 3.57Å; R133-E409 IonicContact NE-OE1 3.93Å; R133-E409 PolarHBondContact NE-OE1 2.7Å; R133-E409 IonicContact NE-OE2 2.65Å; R133-E409 PolarHBondContact NE-OE2 2.62Å; R133-E409 IonicContact NH2-OE1 3.6Å; R133-E409 IonicContact NH2-OE2 3.42Å; R133-E409 PolarHBondContact NH2-OE2 3.25Å; R136-E409 IonicContact CZ-OE1 3.35Å; R136-E409 IonicContact NE-OE1 3.12Å; R136-E409 VanDerWaalsContact NH2-CD 3.33Å; R136-E409 IonicContact NH2-OE1 2.76Å; R136-E409 PolarHBondContact NH2-OE1 2.81Å; R136-E409 IonicContact NH2-OE2 3.17Å; F216-E409 HydrophobicContact CE1-CG 3.85Å; F216-E409 HydrophobicContact CZ-CG 3.44Å; F216-E409 VanDerWaalsContact CZ-CG 3.44Å; I405-E409 WeakPolarHBondContact O-CG 3.31Å; I405-E409 PolarHBondContact O-N 3.38Å; R406-E409 WeakPolarHBondContact O-CB 3.4Å; R406-E409 PolarHBondContact O-N 2.89Å; E409-R413 WeakPolarHBondContact O-CB 3.43Å; E409-R413 PolarHBondContact O-N 3.48Å
410S96.2Very high94.1Very high0 Ų025.2 Ų25.20%015%0.145CC..Hα-helixtrans-62.5-51.1-179.6-59.90000111.6F48 R406 L412 R413 F414F48-S410 WeakPolarHBondContact CA-OG 3.41Å; F48-S410 PolarHBondContact O-OG 3.12Å; R406-S410 PolarHBondContact O-N 3.25Å; R406-S410 PolarHBondContact O-OG 2.92Å; R406-S410 VanDerWaalsContact O-OG 3.13Å; S410-L412 PolarHBondContact O-N 2.83Å; S410-R413 PolarHBondContact O-N 2.73Å; S410-F414 WeakPolarHBondContact O-CD2 3.27Å; S410-F414 PolarHBondContact O-N 3.46Å
411V96.5Very high93.6Very high1 Ų125.8 Ų25.81%0.00615%0.149CC..Hα-helixtrans-60-48-179.2167.50000111.4L52 L56 I59 L386 C407 R413 K415 P421 L422L52-V411 HydrophobicContact CD1-CG2 4.22Å; L56-V411 HydrophobicContact CD2-CG2 4.23Å; I59-V411 HydrophobicContact CD1-CG2 3.69Å; L386-V411 HydrophobicContact CD1-CG1 4.32Å; C407-V411 VanDerWaalsContact O-CB 3.31Å; C407-V411 WeakPolarHBondContact O-CB 3.48Å; C407-V411 VanDerWaalsContact O-CG2 3.25Å; C407-V411 WeakPolarHBondContact O-CG2 3.45Å; C407-V411 PolarHBondContact O-N 2.78Å; V411-R413 VanDerWaalsContact C-N 3.33Å; V411-R413 PolarHBondContact O-N 3.31Å; V411-K415 VanDerWaalsContact O-CB 3.23Å; V411-K415 WeakPolarHBondContact O-CB 3.26Å; V411-K415 PolarHBondContact O-N 3.39Å; V411-P421 HydrophobicContact CG1-CG 4.34Å; V411-L422 HydrophobicContact CG1-CD1 3.74Å; V411-L422 HydrophobicContact CG1-CG 4.31Å
412L96.8Very high93.2Very high13 Ų1326 Ų267%0.06815%0.15CC..Hα-helixtrans-68.1-34.3-179.4-66177.9000111.7P217 T220 L408 S410 K415 A416P217-L412 HydrophobicContact CB-CD1 4.19Å; P217-L412 HydrophobicContact CG-CD1 4.04Å; P217-L412 WeakPolarHBondContact O-CD1 3.34Å; T220-L412 HydrophobicContact CG2-CB 4.44Å; T220-L412 HydrophobicContact CG2-CD2 4.13Å; T220-L412 WeakPolarHBondContact CG2-O 3.06Å; L408-L412 VanDerWaalsContact O-CB 3.25Å; L408-L412 WeakPolarHBondContact O-CB 3.35Å; L408-L412 WeakPolarHBondContact O-CG 3.3Å; L408-L412 PolarHBondContact O-N 2.86Å; S410-L412 PolarHBondContact O-N 2.83Å; L412-K415 PolarHBondContact O-N 3.39Å; L412-A416 VanDerWaalsContact O-CB 3.31Å; L412-A416 WeakPolarHBondContact O-CB 3.26Å; L412-A416 PolarHBondContact O-N 3.16Å
413R95.7Very high92.4Very high17 Ų1732.8 Ų32.86%0.06417%0.172CC..Hα-helixtrans-65.3-47177.7-178.257.863.5110.41.6112.4F42 I44 F48 G103 E409 S410 V411 A416 S417F42-R413 VanDerWaalsContact CZ-CD 3.43Å; I44-R413 HydrophobicContact CG1-CG 4.21Å; I44-R413 HydrophobicContact CG2-CG 4Å; F48-R413 HydrophobicContact CD2-CB 4.18Å; F48-R413 HydrophobicContact CD2-CG 3.79Å; F48-R413 HydrophobicContact CE2-CG 4.23Å; G103-R413 PolarHBondContact O-NH1 3.11Å; G103-R413 PolarHBondContact O-NH2 3.45Å; E409-R413 WeakPolarHBondContact O-CB 3.43Å; E409-R413 PolarHBondContact O-N 3.48Å; S410-R413 PolarHBondContact O-N 2.73Å; V411-R413 VanDerWaalsContact C-N 3.33Å; V411-R413 PolarHBondContact O-N 3.31Å; R413-A416 PolarHBondContact O-N 3.24Å; R413-S417 PolarHBondContact O-N 2.69Å
414F94.9Very high90.9Very high35 Ų3537.3 Ų37.315%0.15420%0.204CC..Hα-helixtrans-65.1-42.4175.6-86.5-95.8000111.3I44 F48 S49 L52 S410 A416 S417 H419I44-F414 HydrophobicContact CD1-CD1 3.87Å; I44-F414 HydrophobicContact CD1-CD2 4.2Å; I44-F414 HydrophobicContact CD1-CE1 3.87Å; I44-F414 HydrophobicContact CD1-CE2 4.22Å; I44-F414 HydrophobicContact CD1-CG 4.05Å; I44-F414 HydrophobicContact CD1-CZ 4.06Å; I44-F414 HydrophobicContact CG2-CD2 4.28Å; I44-F414 HydrophobicContact CG2-CE2 3.7Å; I44-F414 HydrophobicContact CG2-CZ 4.02Å; F48-F414 HydrophobicContact CB-CE2 4.38Å; S49-F414 WeakPolarHBondContact OG-CZ 3.45Å; L52-F414 HydrophobicContact CB-CE2 4.27Å; L52-F414 HydrophobicContact CD1-CD2 4.33Å; L52-F414 HydrophobicContact CD2-CD1 3.83Å; L52-F414 HydrophobicContact CD2-CD2 3.76Å; L52-F414 HydrophobicContact CD2-CE1 3.88Å; L52-F414 HydrophobicContact CD2-CE2 3.8Å; L52-F414 HydrophobicContact CD2-CG 3.76Å; L52-F414 HydrophobicContact CD2-CZ 3.85Å; L52-F414 HydrophobicContact CG-CD2 4.46Å; S410-F414 WeakPolarHBondContact O-CD2 3.27Å; S410-F414 PolarHBondContact O-N 3.46Å; F414-A416 VanDerWaalsContact C-N 3.29Å; F414-A416 PolarHBondContact O-N 3.12Å; F414-S417 WeakPolarHBondContact O-CB 3.3Å; F414-S417 PolarHBondContact O-N 3.11Å; F414-S417 PolarHBondContact O-OG 2.64Å; F414-H419 CarbonylContact C-O 3.52Å; F414-H419 CarbonylContact O-C 3.47Å; F414-H419 PolarHBondContact O-N 3.19Å
415K94.4Very high89.2Confident42 Ų4239.6 Ų39.618%0.18322%0.216CC..Hα-helixtrans-60.8-39.1177.3-171167179.4168.40112.7T220 E223 V411 L412 S417 G418 H419 D420T220-K415 HydrophobicContact CG2-CB 3.83Å; T220-K415 HydrophobicContact CG2-CD 4.19Å; T220-K415 HydrophobicContact CG2-CG 3.85Å; E223-K415 WeakPolarHBondContact OE1-CE 3.18Å; E223-K415 IonicContact OE1-NZ 3.7Å; E223-K415 PolarHBondContact OE1-NZ 3.5Å; E223-K415 WeakPolarHBondContact OE2-CE 3.42Å; E223-K415 IonicContact OE2-NZ 2.65Å; V411-K415 VanDerWaalsContact O-CB 3.23Å; V411-K415 WeakPolarHBondContact O-CB 3.26Å; V411-K415 PolarHBondContact O-N 3.39Å; L412-K415 PolarHBondContact O-N 3.39Å; K415-S417 VanDerWaalsContact C-N 3.26Å; K415-S417 PolarHBondContact O-N 3.44Å; K415-G418 PolarHBondContact O-N 2.89Å; K415-H419 WeakPolarHBondContact CA-O 3.42Å; K415-H419 PolarHBondContact N-O 2.93Å; K415-D420 HydrophobicContact CD-CB 4.47Å; K415-D420 WeakPolarHBondContact CE-OD2 3.28Å; K415-D420 HydrophobicContact CG-CB 4.15Å; K415-D420 IonicContact NZ-OD2 3.73Å; K415-D420 PolarHBondContact NZ-OD2 2.91Å; K415-D420 VanDerWaalsContact NZ-OD2 3.12Å
416A93.9Very high87.2Confident31 Ų3144.4 Ų44.426%0.25624%0.238SC..Hα-helixtrans-65.7-27.2175.500000113L109 T220 L412 R413 F414 G418L109-A416 HydrophobicContact CD1-CB 3.86Å; T220-A416 HydrophobicContact CG2-CB 4.09Å; L412-A416 VanDerWaalsContact O-CB 3.31Å; L412-A416 WeakPolarHBondContact O-CB 3.26Å; L412-A416 PolarHBondContact O-N 3.16Å; R413-A416 PolarHBondContact O-N 3.24Å; F414-A416 VanDerWaalsContact C-N 3.29Å; F414-A416 PolarHBondContact O-N 3.12Å; A416-G418 PolarHBondContact O-N 2.88Å
417S90.1Very high84.8Confident36 Ų3650 Ų5025%0.25226%0.26SS..THydrogen-bonded Turntrans-77.91.117688.20000114.1R413 F414 K415 H419R413-S417 PolarHBondContact O-N 2.69Å; F414-S417 WeakPolarHBondContact O-CB 3.3Å; F414-S417 PolarHBondContact O-N 3.11Å; F414-S417 PolarHBondContact O-OG 2.64Å; K415-S417 VanDerWaalsContact C-N 3.26Å; K415-S417 PolarHBondContact O-N 3.44Å; S417-H419 PolarHBondContact OG-ND1 3.42Å; S417-H419 VanDerWaalsContact OG-ND1 3.13Å
418G87.4Confident82.1Confident61 Ų6154.9 Ų54.963%0.62929%0.293SS*.THydrogen-bonded Turntrans91.4-2.4-175.800000114.4K415 A416K415-G418 PolarHBondContact O-N 2.89Å; A416-G418 PolarHBondContact O-N 2.88Å
419H87.1Confident79.1Confident133 Ų13362.2 Ų62.262%0.61633%0.332SS*.  trans-10294.2176.2-62.484.4000109.4F414 K415 S417 P421F414-H419 CarbonylContact C-O 3.52Å; F414-H419 CarbonylContact O-C 3.47Å; F414-H419 PolarHBondContact O-N 3.19Å; K415-H419 WeakPolarHBondContact CA-O 3.42Å; K415-H419 PolarHBondContact N-O 2.93Å; S417-H419 PolarHBondContact OG-ND1 3.42Å; S417-H419 VanDerWaalsContact OG-ND1 3.13Å; H419-P421 WeakPolarHBondContact O-CD 3.36Å
420D86.6Confident76Confident37 Ų3768.4 Ų68.420%0.19836%0.364CS..  trans-80.8104.3174.3-171-17.9000109.9K415 L422 R423K415-D420 HydrophobicContact CD-CB 4.47Å; K415-D420 WeakPolarHBondContact CE-OD2 3.28Å; K415-D420 HydrophobicContact CG-CB 4.15Å; K415-D420 IonicContact NZ-OD2 3.73Å; K415-D420 PolarHBondContact NZ-OD2 2.91Å; K415-D420 VanDerWaalsContact NZ-OD2 3.12Å; D420-L422 PolarHBondContact O-N 3.49Å; D420-L422 PolarHBondContact OD1-N 2.9Å; D420-R423 HydrophobicContact CB-CB 4.16Å; D420-R423 WeakPolarHBondContact O-CB 3.44Å; D420-R423 PolarHBondContact O-N 2.85Å; D420-R423 PolarHBondContact OD1-N 2.73Å
421P82Confident72.8Confident34 Ų3480.2 Ų80.222%0.22143%0.426CS..THydrogen-bonded Turntrans-74.1-12.1-175.334.7-36.2000112.3L52 L56 V411 H419L52-P421 HydrophobicContact CD1-CB 4.41Å; L52-P421 HydrophobicContact CD1-CG 4.22Å; L56-P421 HydrophobicContact CD1-CB 3.88Å; L56-P421 HydrophobicContact CD2-CB 3.75Å; L56-P421 HydrophobicContact CD2-CG 3.98Å; L56-P421 HydrophobicContact CG-CB 4.42Å; V411-P421 HydrophobicContact CG1-CG 4.34Å; H419-P421 WeakPolarHBondContact O-CD 3.36Å
422L84.3Confident71.6Confident16 Ų1684.2 Ų84.28%0.08445%0.447CS..THydrogen-bonded Turntrans-10612179.4-59176.6000112L56 I59 L386 V411 D420 S424 L425L56-L422 HydrophobicContact CD2-CD2 3.51Å; L56-L422 HydrophobicContact CD2-CG 4.2Å; I59-L422 HydrophobicContact CG2-CD1 4.3Å; I59-L422 HydrophobicContact CG2-CD2 3.93Å; L386-L422 HydrophobicContact CD1-CD1 3.6Å; V411-L422 HydrophobicContact CG1-CD1 3.74Å; V411-L422 HydrophobicContact CG1-CG 4.31Å; D420-L422 PolarHBondContact O-N 3.49Å; D420-L422 PolarHBondContact OD1-N 2.9Å; L422-S424 PolarHBondContact O-N 3.02Å; L422-L425 HydrophobicContact CB-CD1 4.12Å; L422-L425 HydrophobicContact CD2-CD1 3.54Å; L422-L425 HydrophobicContact CG-CD1 4.33Å; L422-L425 WeakPolarHBondContact O-CB 3.42Å; L422-L425 PolarHBondContact O-N 2.94Å
423R78.3Confident70.3Confident184 Ų18487.9 Ų87.969%0.69447%0.467SS*.G310 helixtrans-56.2-35.7-177.5-169.4174178.9179.9-1.2113D420 L425 Q426D420-R423 HydrophobicContact CB-CB 4.16Å; D420-R423 WeakPolarHBondContact O-CB 3.44Å; D420-R423 PolarHBondContact O-N 2.85Å; D420-R423 PolarHBondContact OD1-N 2.73Å; R423-L425 PolarHBondContact O-N 3.22Å; R423-Q426 PolarHBondContact O-N 3.24Å
424S62.7Low68.9Low96 Ų9691.8 Ų91.867%0.67149%0.489SS*.G310 helixtrans-64.2-25.6175.853.30000113.3L422L422-S424 PolarHBondContact O-N 3.02Å
425L62Low67.4Low48 Ų4895.2 Ų95.225%0.25151%0.509SS..G310 helixtrans-84.7-13.4179.1-66.3166.9000113.7T60 L383 L422 R423T60-L425 HydrophobicContact CG2-CD1 3.8Å; T60-L425 HydrophobicContact CG2-CD2 4.38Å; T60-L425 HydrophobicContact CG2-CG 4.43Å; L383-L425 HydrophobicContact CD1-CD1 4.1Å; L422-L425 HydrophobicContact CB-CD1 4.12Å; L422-L425 HydrophobicContact CD2-CD1 3.54Å; L422-L425 HydrophobicContact CG-CD1 4.33Å; L422-L425 WeakPolarHBondContact O-CB 3.42Å; L422-L425 PolarHBondContact O-N 2.94Å; R423-L425 PolarHBondContact O-N 3.22Å
426Q54.9Low65.7Low101 Ų10198.5 Ų98.547%0.47253%0.53SS..SBendtrans-79.1-19.2178.5-77.2180-10.100113R423R423-Q426 PolarHBondContact O-N 3.24Å
427Y44.8Very low63.8Low154 Ų154103 Ų10360%0.60455%0.548SS*.  trans-139.170.7-178.5-59.6-81.5000112.7N429 L430Y427-N429 PolarHBondContact O-N 3.45Å; Y427-N429 VanDerWaalsContact O-N 3.16Å; Y427-L430 HydrophobicContact CD1-CD1 4.04Å
428P40.4Very low61.9Low104 Ų104107.8 Ų107.868%0.67557%0.569SS**THydrogen-bonded Turntrans-68.1-10.4179.324.5-31.3000114.7
429N34.2Very low59.9Low153 Ų153111.4 Ų111.482%0.81856%0.564SS**THydrogen-bonded Turntrans-133.656.4-176.7-71.4-27.8000113Y427Y427-N429 PolarHBondContact O-N 3.45Å; Y427-N429 VanDerWaalsContact O-N 3.16Å
430L31.8Very low57.7Low141 Ų141109.6 Ų109.674%0.73856%0.56SS**  trans-137.941.3167.5-104.1163.5000111.3Y427Y427-L430 HydrophobicContact CD1-CD1 4.04Å
431L30.1Very low55Low247 Ų247116.2 Ų116.2100%1.29359%0.593SS**  trans-139.70157.8-85.8171.9000108.7

Retrieved 431 of 431 residues in 189.2 ms (Link to these results)

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