A0A061ACH9_CAEEL Loading...

alpha-1,2-Mannosidase

AlphaFold DB , UniProt , Accession A0A061ACH9, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 498 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.6Very low42.2Very low205 Ų20579.2 Ų79.2100%1.0139%0.385SS*.  0-26.80-126.7166.778.800115.1
2K36.1Very low42.6Very low185 Ų18575.3 Ų75.380%0.80438%0.376SS*.Hα-helixtrans-78.9-34172.7-78.5-176.5177-179.40114.2V4 K5K2-V4 VanDerWaalsContact C-N 3.32Å; K2-V4 PolarHBondContact O-N 3.42Å; K2-K5 PolarHBondContact O-N 3.37Å
3F34.2Very low43.3Very low34 Ų3472.3 Ų72.315%0.14936%0.361CS..Hα-helixtrans-59.5-40.5177.7-164.2-104.6000112.8K5 L378 A381 I382 F393F3-K5 VanDerWaalsContact C-N 3.34Å; F3-K5 PolarHBondContact O-N 3.34Å; F3-L378 HydrophobicContact CE1-CD1 4.32Å; F3-L378 HydrophobicContact CZ-CD1 3.86Å; F3-A381 HydrophobicContact CE2-CB 4.02Å; F3-A381 HydrophobicContact CZ-CB 4.26Å; F3-I382 HydrophobicContact CE2-CG1 4.36Å; F3-F393 HydrophobicContact CE2-CZ 4.18Å; F3-F393 HydrophobicContact CZ-CE1 4.35Å; F3-F393 HydrophobicContact CZ-CZ 4.4Å
4V40.3Very low43.9Very low79 Ų7971.2 Ų71.248%0.47935%0.353SS..Hα-helixtrans-67.8-30.7178.7-175.90000112.5K2 L8K2-V4 VanDerWaalsContact C-N 3.32Å; K2-V4 PolarHBondContact O-N 3.42Å; V4-L8 HydrophobicContact CG1-CD1 3.85Å; V4-L8 HydrophobicContact CG1-CG 4.38Å; V4-L8 WeakPolarHBondContact O-CB 3.1Å; V4-L8 WeakPolarHBondContact O-CD1 3.41Å; V4-L8 VanDerWaalsContact O-CG 3.31Å; V4-L8 WeakPolarHBondContact O-CG 3.26Å; V4-L8 PolarHBondContact O-N 2.84Å; V4-L8 VanDerWaalsContact O-N 3.07Å
5K38Very low43.9Very low149 Ų14968.3 Ų68.365%0.64834%0.343SS*.Hα-helixtrans-67.8-40.4-179.6-98.4-171.4173.1-171.50112.6K2 F3 V7 L8 I9K2-K5 PolarHBondContact O-N 3.37Å; F3-K5 VanDerWaalsContact C-N 3.34Å; F3-K5 PolarHBondContact O-N 3.34Å; K5-V7 VanDerWaalsContact C-N 3.35Å; K5-L8 PolarHBondContact O-N 3.24Å; K5-I9 WeakPolarHBondContact O-CG1 3.38Å; K5-I9 PolarHBondContact O-N 3.32Å
6N42.3Very low43.8Very low52 Ų5272.9 Ų72.928%0.27838%0.376SS..Hα-helixtrans-70.1-33.1-179.4-69-8.7000112.1
7V47.8Very low43.4Very low7 Ų773.2 Ų73.24%0.04238%0.382CS..Hα-helixtrans-74.2-29.9174.5-176.60000112K5 F10 I11 I334 A381K5-V7 VanDerWaalsContact C-N 3.35Å; V7-F10 VanDerWaalsContact O-CB 3.3Å; V7-F10 WeakPolarHBondContact O-CB 3.45Å; V7-F10 PolarHBondContact O-N 2.91Å; V7-I11 HydrophobicContact CG1-CD1 4.35Å; V7-I11 WeakPolarHBondContact O-CG1 3.47Å; V7-I11 PolarHBondContact O-N 3.4Å; V7-I334 HydrophobicContact CB-CD1 3.94Å; V7-I334 HydrophobicContact CG1-CD1 3.57Å; V7-I334 HydrophobicContact CG1-CG1 3.91Å; V7-I334 HydrophobicContact CG2-CD1 3.93Å; V7-A381 HydrophobicContact CG2-CB 3.97Å
8L41.9Very low43.1Very low95 Ų9573.6 Ų73.650%0.49739%0.39SS..Hα-helixtrans-67.3-32.7174.3-81161.8000113.3V4 K5 F10 I11 A12V4-L8 HydrophobicContact CG1-CD1 3.85Å; V4-L8 HydrophobicContact CG1-CG 4.38Å; V4-L8 WeakPolarHBondContact O-CB 3.1Å; V4-L8 WeakPolarHBondContact O-CD1 3.41Å; V4-L8 VanDerWaalsContact O-CG 3.31Å; V4-L8 WeakPolarHBondContact O-CG 3.26Å; V4-L8 PolarHBondContact O-N 2.84Å; V4-L8 VanDerWaalsContact O-N 3.07Å; K5-L8 PolarHBondContact O-N 3.24Å; L8-F10 VanDerWaalsContact C-N 3.28Å; L8-I11 PolarHBondContact O-N 3.34Å; L8-A12 WeakPolarHBondContact O-CB 3.28Å; L8-A12 PolarHBondContact O-N 2.98Å
9I49.2Very low42.8Very low33 Ų3375.2 Ų75.217%0.16941%0.408CS..Hα-helixtrans-62.3-41.3172.1-62174.8000110K5 A12 L13 E32 Y36K5-I9 WeakPolarHBondContact O-CG1 3.38Å; K5-I9 PolarHBondContact O-N 3.32Å; I9-A12 PolarHBondContact O-N 3.16Å; I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 VanDerWaalsContact O-CG 3.32Å; I9-L13 WeakPolarHBondContact O-CG 3.34Å; I9-L13 PolarHBondContact O-N 3.04Å; I9-L13 VanDerWaalsContact O-N 3.13Å; I9-E32 HydrophobicContact CD1-CG 4.1Å; I9-E32 WeakPolarHBondContact CD1-OE1 3.23Å; I9-E32 VanDerWaalsContact CG1-CD 3.45Å; I9-E32 HydrophobicContact CG1-CG 4.25Å; I9-E32 HydrophobicContact CG2-CB 3.8Å; I9-E32 HydrophobicContact CG2-CG 3.89Å; I9-Y36 HydrophobicContact CG2-CE2 4.17Å
10F52.3Low42.8Very low7 Ų778.3 Ų78.33%0.03142%0.424CS..Hα-helixtrans-65.5-42.2177.9-154.1-84.7000111.9V7 L8 A12 L13 F14 V373 A377 Y380 F426V7-F10 VanDerWaalsContact O-CB 3.3Å; V7-F10 WeakPolarHBondContact O-CB 3.45Å; V7-F10 PolarHBondContact O-N 2.91Å; L8-F10 VanDerWaalsContact C-N 3.28Å; F10-A12 PolarHBondContact O-N 2.83Å; F10-L13 PolarHBondContact O-N 3.17Å; F10-F14 HydrophobicContact CD1-CD2 4.1Å; F10-F14 HydrophobicContact CD1-CE2 4.49Å; F10-F14 HydrophobicContact CE1-CD2 4.13Å; F10-F14 HydrophobicContact CE1-CE2 4.28Å; F10-F14 HydrophobicContact CZ-CE2 4.3Å; F10-F14 WeakPolarHBondContact O-CD2 3.22Å; F10-F14 PolarHBondContact O-N 3.31Å; F10-V373 HydrophobicContact CD1-CG1 4.38Å; F10-V373 HydrophobicContact CE1-CG1 3.43Å; F10-V373 VanDerWaalsContact CE1-CG1 3.43Å; F10-V373 WeakPolarHBondContact CE1-O 3.41Å; F10-V373 HydrophobicContact CZ-CG1 4.1Å; F10-V373 WeakPolarHBondContact CZ-O 3.32Å; F10-A377 HydrophobicContact CD1-CB 3.48Å; F10-A377 VanDerWaalsContact CD1-CB 3.48Å; F10-A377 HydrophobicContact CD2-CB 3.91Å; F10-A377 HydrophobicContact CE1-CB 3.39Å; F10-A377 HydrophobicContact CE2-CB 3.81Å; F10-A377 HydrophobicContact CG-CB 3.74Å; F10-A377 HydrophobicContact CZ-CB 3.57Å; F10-Y380 HydrophobicContact CD2-CD1 4.11Å; F10-Y380 HydrophobicContact CE2-CD1 4.39Å; F10-F426 AromaticContact CD2-CE1 3.82Å; F10-F426 HydrophobicContact CD2-CE1 3.82Å; F10-F426 HydrophobicContact CD2-CE2 4.19Å; F10-F426 AromaticContact CD2-CZ 3.42Å; F10-F426 HydrophobicContact CD2-CZ 3.42Å; F10-F426 VanDerWaalsContact CD2-CZ 3.42Å; F10-F426 HydrophobicContact CE2-CD1 4.28Å; F10-F426 AromaticContact CE2-CE1 3.24Å; F10-F426 HydrophobicContact CE2-CE1 3.24Å; F10-F426 HydrophobicContact CE2-CE2 4.42Å; F10-F426 AromaticContact CE2-CZ 3.32Å; F10-F426 HydrophobicContact CE2-CZ 3.32Å; F10-F426 HydrophobicContact CZ-CE1 4.05Å; F10-F426 HydrophobicContact CZ-CZ 4.48Å
11I50.7Low42.9Very low25 Ų2577.1 Ų77.113%0.12842%0.415CS..Hα-helixtrans-65.1-39.2174.4-66.9169.9000111.3V7 L8 L13 F14 S15 L330V7-I11 HydrophobicContact CG1-CD1 4.35Å; V7-I11 WeakPolarHBondContact O-CG1 3.47Å; V7-I11 PolarHBondContact O-N 3.4Å; L8-I11 PolarHBondContact O-N 3.34Å; I11-L13 VanDerWaalsContact C-N 3.3Å; I11-L13 PolarHBondContact O-N 3.35Å; I11-F14 PolarHBondContact O-N 3.31Å; I11-S15 WeakPolarHBondContact O-CB 3.42Å; I11-S15 PolarHBondContact O-N 3.03Å; I11-S15 PolarHBondContact O-OG 2.96Å; I11-L330 HydrophobicContact CG2-CD2 3.22Å
12A47.4Very low43.6Very low33 Ų3374.1 Ų74.127%0.27341%0.408SS..Hα-helixtrans-64-33.7177.500000113L8 I9 F10L8-A12 WeakPolarHBondContact O-CB 3.28Å; L8-A12 PolarHBondContact O-N 2.98Å; I9-A12 PolarHBondContact O-N 3.16Å; F10-A12 PolarHBondContact O-N 2.83Å
13L50.5Low44.2Very low36 Ų3667.4 Ų67.419%0.18838%0.383CS..Hα-helixtrans-77.5-26.5-179.9-70.5165.3000114.1I9 F10 I11 E33 Y36 F426I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 VanDerWaalsContact O-CG 3.32Å; I9-L13 WeakPolarHBondContact O-CG 3.34Å; I9-L13 PolarHBondContact O-N 3.04Å; I9-L13 VanDerWaalsContact O-N 3.13Å; F10-L13 PolarHBondContact O-N 3.17Å; I11-L13 VanDerWaalsContact C-N 3.3Å; I11-L13 PolarHBondContact O-N 3.35Å; L13-E33 HydrophobicContact CD2-CB 4.42Å; L13-E33 HydrophobicContact CD2-CG 4.16Å; L13-Y36 HydrophobicContact CD1-CD2 3.54Å; L13-Y36 HydrophobicContact CD1-CE2 4.24Å; L13-Y36 HydrophobicContact CD1-CG 4Å; L13-Y36 HydrophobicContact CD2-CD2 4.18Å; L13-Y36 HydrophobicContact CD2-CG 4.45Å; L13-Y36 HydrophobicContact CG-CD2 4.45Å; L13-F426 HydrophobicContact CD1-CD2 3.65Å; L13-F426 HydrophobicContact CD1-CE2 4.04Å; L13-F426 HydrophobicContact CD1-CG 4.47Å
14F52.3Low44.9Very low57 Ų5776.5 Ų76.525%0.2542%0.422CS..Hα-helixtrans-119.9-7-171.6-67.8-87.4000114.4F10 I11 V373 N424 F426 Y427F10-F14 HydrophobicContact CD1-CD2 4.1Å; F10-F14 HydrophobicContact CD1-CE2 4.49Å; F10-F14 HydrophobicContact CE1-CD2 4.13Å; F10-F14 HydrophobicContact CE1-CE2 4.28Å; F10-F14 HydrophobicContact CZ-CE2 4.3Å; F10-F14 WeakPolarHBondContact O-CD2 3.22Å; F10-F14 PolarHBondContact O-N 3.31Å; I11-F14 PolarHBondContact O-N 3.31Å; F14-V373 HydrophobicContact CB-CG1 4.35Å; F14-V373 HydrophobicContact CD1-CG1 4.14Å; F14-V373 HydrophobicContact CD2-CG1 4.38Å; F14-V373 HydrophobicContact CG-CG1 4.06Å; F14-N424 HydrophobicContact CE1-CB 4.34Å; F14-N424 WeakPolarHBondContact CE1-ND2 3.17Å; F14-N424 HydrophobicContact CZ-CB 4.46Å; F14-N424 VanDerWaalsContact CZ-ND2 3.26Å; F14-N424 WeakPolarHBondContact CZ-ND2 3.11Å; F14-F426 HydrophobicContact CE2-CB 4.41Å; F14-F426 AromaticContact CE2-CD1 3.84Å; F14-F426 HydrophobicContact CE2-CD1 3.84Å; F14-F426 HydrophobicContact CE2-CE1 4.34Å; F14-F426 HydrophobicContact CE2-CG 4.02Å; F14-F426 HydrophobicContact CZ-CB 4.19Å; F14-F426 AromaticContact CZ-CD1 3.87Å; F14-F426 HydrophobicContact CZ-CD1 3.87Å; F14-F426 HydrophobicContact CZ-CG 4.16Å; F14-Y427 HydrophobicContact CE1-CE2 4.25Å; F14-Y427 AromaticContact CZ-CE2 3.96Å; F14-Y427 HydrophobicContact CZ-CE2 3.96Å; F14-Y427 AromaticContact CZ-CZ 3.94Å
15S44.5Very low45.5Very low28 Ų2875.9 Ų75.920%0.19642%0.416CS..  trans-85.8118.7171.478.80000110.9I11 T17I11-S15 WeakPolarHBondContact O-CB 3.42Å; I11-S15 PolarHBondContact O-N 3.03Å; I11-S15 PolarHBondContact O-OG 2.96Å; S15-T17 PolarHBondContact O-N 3.27Å
16T41.2Very low46.2Very low142 Ų14271 Ų7187%0.87140%0.4SS*.  trans-764.2173.846.50000113.4C18T16-C18 PolarHBondContact O-N 3Å
17T38.2Very low46.8Very low77 Ų7776.6 Ų76.647%0.47242%0.422SS..  trans-87103.2-177.948.80000111S15 S19S15-T17 PolarHBondContact O-N 3.27Å; T17-S19 PolarHBondContact O-N 3.32Å
18C37.3Very low47.2Very low80 Ų8080.7 Ų80.754%0.54144%0.443SS..THydrogen-bonded Turntrans-44.1-1.2173.1-140.50000117.2T16 P26T16-C18 PolarHBondContact O-N 3Å; C18-P26 WeakPolarHBondContact O-CB 3.4Å; C18-P26 VanDerWaalsContact SG-CB 3.56Å
19S36.8Very low47.9Very low104 Ų10480.7 Ų80.773%0.72744%0.443SS*.THydrogen-bonded Turntrans-99.6-7.9-153.1-128.40000117T17T17-S19 PolarHBondContact O-N 3.32Å
20L42.8Very low48.9Very low137 Ų13780.5 Ų80.572%0.71744%0.444SS*.  trans-139.234.2-177.6-88.3160.2000114T22 L330L20-T22 PolarHBondContact O-N 2.8Å; L20-L330 HydrophobicContact CD1-CD1 3.83Å
21K45.4Very low49.9Very low55 Ų5589.3 Ų89.324%0.23948%0.482CS..  trans-66.6121.1160.6-81173.1170.4-165.90108.6T23 P26 L28 E33K21-T23 PolarHBondContact O-N 3.42Å; K21-T23 VanDerWaalsContact O-N 3.14Å; K21-T23 VanDerWaalsContact O-O 3.04Å; K21-P26 WeakPolarHBondContact CD-O 3.18Å; K21-P26 WeakPolarHBondContact CE-O 3.5Å; K21-P26 PolarHBondContact NZ-O 2.91Å; K21-L28 VanDerWaalsContact CD-O 3.3Å; K21-L28 WeakPolarHBondContact CD-O 3.49Å; K21-L28 WeakPolarHBondContact CE-O 3.34Å; K21-L28 PolarHBondContact NZ-O 3.17Å; K21-E33 WeakPolarHBondContact CE-OE1 3.15Å; K21-E33 WeakPolarHBondContact CE-OE2 3.33Å; K21-E33 IonicContact NZ-OE2 3.47Å; K21-E33 PolarHBondContact NZ-OE2 3.12Å
22T46Very low50.8Low141 Ų14191.8 Ų91.887%0.86549%0.493SS*.SBendtrans-64.3-11.2174.543.10000112.5L20L20-T22 PolarHBondContact O-N 2.8Å
23T48.3Very low51.9Low45 Ų4591.3 Ų91.328%0.27649%0.485SS..SBendtrans-76.4129.6164.951.80000109.4K21 N25 L28K21-T23 PolarHBondContact O-N 3.42Å; K21-T23 VanDerWaalsContact O-N 3.14Å; K21-T23 VanDerWaalsContact O-O 3.04Å; T23-N25 CarbonylContact O-C 3.6Å; T23-N25 PolarHBondContact O-N 3.37Å; T23-N25 PolarHBondContact OG1-O 2.91Å; T23-L28 HydrophobicContact CG2-CB 4.14Å; T23-L28 HydrophobicContact CG2-CD1 4.36Å
24K50Low53.1Low224 Ų22494.4 Ų94.497%0.97450%0.501SS*.SBendtrans-54-3.7174.4-71.2-178.3175.3-179.70114.8
25N53.5Low54.4Low66 Ų6696.5 Ų96.535%0.35351%0.51SS..SBendtrans-124117.1175-176.3-11.5000108.8T23 F27 L28T23-N25 CarbonylContact O-C 3.6Å; T23-N25 PolarHBondContact O-N 3.37Å; T23-N25 PolarHBondContact OG1-O 2.91Å; N25-F27 PolarHBondContact O-N 3.34Å; N25-F27 VanDerWaalsContact OD1-CB 3.3Å; N25-F27 WeakPolarHBondContact OD1-CB 3.29Å; N25-F27 WeakPolarHBondContact OD1-CD2 3.13Å; N25-F27 PolarHBondContact OD1-N 3.13Å; N25-L28 HydrophobicContact CB-CD1 3.87Å; N25-L28 HydrophobicContact CB-CG 3.97Å; N25-L28 PolarHBondContact O-N 3.47Å
26P51.7Low56.3Low48 Ų4895.9 Ų95.931%0.31250%0.503SS..THydrogen-bonded Turntrans-70.7-817931.5-36.7000113.5C18 K21C18-P26 WeakPolarHBondContact O-CB 3.4Å; C18-P26 VanDerWaalsContact SG-CB 3.56Å; K21-P26 WeakPolarHBondContact CD-O 3.18Å; K21-P26 WeakPolarHBondContact CE-O 3.5Å; K21-P26 PolarHBondContact NZ-O 2.91Å
27F55.3Low58.2Low169 Ų16992.1 Ų92.174%0.74149%0.487SS*.THydrogen-bonded Turntrans-88.9-9.7173.4-56.4-72.4000113.5N25N25-F27 PolarHBondContact O-N 3.34Å; N25-F27 VanDerWaalsContact OD1-CB 3.3Å; N25-F27 WeakPolarHBondContact OD1-CB 3.29Å; N25-F27 WeakPolarHBondContact OD1-CD2 3.13Å; N25-F27 PolarHBondContact OD1-N 3.13Å
28L54.9Low60.7Low93 Ų9392 Ų9249%0.48749%0.489SS..SBendtrans-79129.3174.3-73.9172.4000109.8K21 T23 N25K21-L28 VanDerWaalsContact CD-O 3.3Å; K21-L28 WeakPolarHBondContact CD-O 3.49Å; K21-L28 WeakPolarHBondContact CE-O 3.34Å; K21-L28 PolarHBondContact NZ-O 3.17Å; T23-L28 HydrophobicContact CG2-CB 4.14Å; T23-L28 HydrophobicContact CG2-CD1 4.36Å; N25-L28 HydrophobicContact CB-CD1 3.87Å; N25-L28 HydrophobicContact CB-CG 3.97Å; N25-L28 PolarHBondContact O-N 3.47Å
29L57.3Low63.4Low94 Ų9489.4 Ų89.449%0.49247%0.47SS..PPolyproline II helixtrans-79.4142.5175.2-63.6172.7000110.6E33 I34L29-E33 WeakPolarHBondContact CA-OE2 3.27Å; L29-E33 HydrophobicContact CB-CB 4Å; L29-E33 HydrophobicContact CD2-CB 4.05Å; L29-E33 WeakPolarHBondContact CD2-OE2 3.34Å; L29-I34 HydrophobicContact CB-CD1 4.21Å; L29-I34 HydrophobicContact CB-CG1 3.64Å; L29-I34 HydrophobicContact CD1-CG1 4.23Å
30T70.8Confident66.1Low30 Ų3086.8 Ų86.818%0.18445%0.451CS..PPolyproline II helixtrans-68.6163168.974.10000110.3E32 E33 I34T30-E32 PolarHBondContact O-N 3.45Å; T30-E32 PolarHBondContact OG1-N 3Å; T30-E33 HydrophobicContact CG2-CG 4.48Å; T30-E33 PolarHBondContact N-OE2 3.3Å; T30-E33 PolarHBondContact O-N 3Å; T30-E33 WeakPolarHBondContact OG1-CB 3.49Å; T30-E33 VanDerWaalsContact OG1-CG 3.29Å; T30-E33 WeakPolarHBondContact OG1-CG 3.49Å; T30-E33 PolarHBondContact OG1-N 2.87Å; T30-I34 VanDerWaalsContact O-CG1 3.3Å; T30-I34 WeakPolarHBondContact O-CG1 3.43Å; T30-I34 PolarHBondContact O-N 3.49Å
31K72.1Confident68.7Low191 Ų19186.4 Ų86.483%0.8345%0.45SS*.Hα-helixtrans-59.2-33.4175.4-72.6-174176.9-1760112.4K35K31-K35 WeakPolarHBondContact O-CB 3.3Å; K31-K35 PolarHBondContact O-N 3.08Å
32E70.3Confident71.1Confident77 Ų7789 Ų8936%0.3647%0.47SS..Hα-helixtrans-73.5-44.1177.3-68.3137.9178.200111I9 T30 I34 K35 Y36I9-E32 HydrophobicContact CD1-CG 4.1Å; I9-E32 WeakPolarHBondContact CD1-OE1 3.23Å; I9-E32 VanDerWaalsContact CG1-CD 3.45Å; I9-E32 HydrophobicContact CG1-CG 4.25Å; I9-E32 HydrophobicContact CG2-CB 3.8Å; I9-E32 HydrophobicContact CG2-CG 3.89Å; T30-E32 PolarHBondContact O-N 3.45Å; T30-E32 PolarHBondContact OG1-N 3Å; E32-I34 VanDerWaalsContact C-N 3.26Å; E32-I34 PolarHBondContact O-N 3.29Å; E32-K35 PolarHBondContact O-N 3.4Å; E32-K35 VanDerWaalsContact O-N 3.09Å; E32-Y36 HydrophobicContact CB-CD2 4.31Å; E32-Y36 HydrophobicContact CB-CE2 4.3Å; E32-Y36 WeakPolarHBondContact O-CD2 3.32Å; E32-Y36 PolarHBondContact O-N 2.92Å
33E70.8Confident73.6Confident24 Ų2485.2 Ų85.211%0.11244%0.444CS..Hα-helixtrans-56.7-41.5172.7-73.2169.7172.800111.3L13 K21 L29 T30 A37L13-E33 HydrophobicContact CD2-CB 4.42Å; L13-E33 HydrophobicContact CD2-CG 4.16Å; K21-E33 WeakPolarHBondContact CE-OE1 3.15Å; K21-E33 WeakPolarHBondContact CE-OE2 3.33Å; K21-E33 IonicContact NZ-OE2 3.47Å; K21-E33 PolarHBondContact NZ-OE2 3.12Å; L29-E33 WeakPolarHBondContact CA-OE2 3.27Å; L29-E33 HydrophobicContact CB-CB 4Å; L29-E33 HydrophobicContact CD2-CB 4.05Å; L29-E33 WeakPolarHBondContact CD2-OE2 3.34Å; T30-E33 HydrophobicContact CG2-CG 4.48Å; T30-E33 PolarHBondContact N-OE2 3.3Å; T30-E33 PolarHBondContact O-N 3Å; T30-E33 WeakPolarHBondContact OG1-CB 3.49Å; T30-E33 VanDerWaalsContact OG1-CG 3.29Å; T30-E33 WeakPolarHBondContact OG1-CG 3.49Å; T30-E33 PolarHBondContact OG1-N 2.87Å; E33-A37 WeakPolarHBondContact O-CB 3.03Å; E33-A37 PolarHBondContact O-N 2.87Å
34I75.8Confident75.9Confident101 Ų10184 Ų8452%0.51844%0.437SS..Hα-helixtrans-65.9-43.7174.8-65.1166.4000111.3L29 T30 E32 Y36L29-I34 HydrophobicContact CB-CD1 4.21Å; L29-I34 HydrophobicContact CB-CG1 3.64Å; L29-I34 HydrophobicContact CD1-CG1 4.23Å; T30-I34 VanDerWaalsContact O-CG1 3.3Å; T30-I34 WeakPolarHBondContact O-CG1 3.43Å; T30-I34 PolarHBondContact O-N 3.49Å; E32-I34 VanDerWaalsContact C-N 3.26Å; E32-I34 PolarHBondContact O-N 3.29Å; I34-Y36 PolarHBondContact O-N 3.16Å
35K79.4Confident78.1Confident100 Ų10079.2 Ų79.244%0.43542%0.417SS..Hα-helixtrans-60.3-45.1-179.7-177.8-171.4172.2-161.30111.6K31 E32 H429 E433K31-K35 WeakPolarHBondContact O-CB 3.3Å; K31-K35 PolarHBondContact O-N 3.08Å; E32-K35 PolarHBondContact O-N 3.4Å; E32-K35 VanDerWaalsContact O-N 3.09Å; K35-H429 PolarHBondContact O-NE2 3.16Å; K35-E433 IonicContact NZ-OE1 2.76Å
36Y84.9Confident80.3Confident15 Ų1581.6 Ų81.66%0.05942%0.422CS..Hα-helixtrans-95.7-4.6-172.6-60.6-67.3000114.1I9 L13 E32 I34 S38 F426 H429I9-Y36 HydrophobicContact CG2-CE2 4.17Å; L13-Y36 HydrophobicContact CD1-CD2 3.54Å; L13-Y36 HydrophobicContact CD1-CE2 4.24Å; L13-Y36 HydrophobicContact CD1-CG 4Å; L13-Y36 HydrophobicContact CD2-CD2 4.18Å; L13-Y36 HydrophobicContact CD2-CG 4.45Å; L13-Y36 HydrophobicContact CG-CD2 4.45Å; E32-Y36 HydrophobicContact CB-CD2 4.31Å; E32-Y36 HydrophobicContact CB-CE2 4.3Å; E32-Y36 WeakPolarHBondContact O-CD2 3.32Å; E32-Y36 PolarHBondContact O-N 2.92Å; I34-Y36 PolarHBondContact O-N 3.16Å; Y36-S38 PolarHBondContact O-N 3.34Å; Y36-F426 AromaticContact CD1-CD2 3.85Å; Y36-F426 HydrophobicContact CD1-CD2 3.85Å; Y36-F426 HydrophobicContact CD2-CD2 4.37Å; Y36-F426 HydrophobicContact CE1-CD2 4.22Å; Y36-F426 AromaticContact CG-CD2 3.95Å; Y36-F426 HydrophobicContact CG-CD2 3.95Å; Y36-H429 HydrophobicContact CD1-CB 3.64Å; Y36-H429 AromaticContact CD1-CD2 3.63Å; Y36-H429 AromaticContact CD1-CG 3.61Å; Y36-H429 HydrophobicContact CE1-CB 3.58Å; Y36-H429 AromaticContact CE1-CG 3.87Å
37A81.1Confident82.5Confident64 Ų6479.3 Ų79.353%0.52941%0.408SS..SBendtrans-65-23.2176.900000113.7E33E33-A37 WeakPolarHBondContact O-CB 3.03Å; E33-A37 PolarHBondContact O-N 2.87Å
38S90Very high84.5Confident75 Ų7572.5 Ų72.552%0.52438%0.378SS..  trans-149.3158.9178.857.40000110Y36 H429Y36-S38 PolarHBondContact O-N 3.34Å; S38-H429 PolarHBondContact O-NE2 2.91Å
39I93.9Very high86.6Confident25 Ų2570.9 Ų70.913%0.12838%0.379CS..  trans-113143.6164.3-170.5162.8000108D43 L44 P425 Q428 L432I39-D43 HydrophobicContact CD1-CB 4.29Å; I39-D43 HydrophobicContact CG1-CB 3.89Å; I39-L44 HydrophobicContact CD1-CD2 3.72Å; I39-L44 HydrophobicContact CD1-CG 4.01Å; I39-L44 HydrophobicContact CG1-CD2 4.29Å; I39-L44 HydrophobicContact CG1-CG 4.06Å; I39-L44 HydrophobicContact CG2-CD1 3.78Å; I39-L44 HydrophobicContact CG2-CD2 3.95Å; I39-L44 HydrophobicContact CG2-CG 3.77Å; I39-P425 HydrophobicContact CB-CB 4.22Å; I39-P425 HydrophobicContact CG2-CB 4.32Å; I39-Q428 HydrophobicContact CD1-CB 3.45Å; I39-Q428 VanDerWaalsContact CD1-CB 3.45Å; I39-L432 HydrophobicContact CD1-CD1 4.05Å
40S95Very high88.6Confident49 Ų4968.1 Ų68.134%0.34336%0.363SS..  trans-80.1150177.478.40000110.7V42 D43 L44S40-V42 PolarHBondContact O-N 3.37Å; S40-D43 PolarHBondContact O-N 2.94Å; S40-D43 VanDerWaalsContact O-N 3.08Å; S40-D43 PolarHBondContact OG-N 3.22Å; S40-D43 VanDerWaalsContact OG-N 3.08Å; S40-D43 PolarHBondContact OG-OD2 3.43Å; S40-L44 PolarHBondContact O-N 3.17Å
41D95.4Very high89.9Confident129 Ų12966.7 Ų66.769%0.6935%0.354SS*.Hα-helixtrans-58.2-31.5173.6-63.6-27.9000111.5L44 Q45D41-L44 PolarHBondContact O-N 3.35Å; D41-Q45 WeakPolarHBondContact O-CB 3.1Å; D41-Q45 WeakPolarHBondContact O-CG 3.43Å; D41-Q45 PolarHBondContact O-N 2.92Å
42V97Very high91.2Very high109 Ų10961.3 Ų61.366%0.66133%0.328SS*.Hα-helixtrans-63.9-45176.3178.20000111S40 Q45 Y46S40-V42 PolarHBondContact O-N 3.37Å; V42-Q45 PolarHBondContact O-N 3.46Å; V42-Y46 VanDerWaalsContact O-CB 3.3Å; V42-Y46 WeakPolarHBondContact O-CB 3.44Å; V42-Y46 PolarHBondContact O-N 3.17Å
43D97.4Very high92.5Very high61 Ų6160.7 Ų60.733%0.32633%0.326SS..Hα-helixtrans-68.7-38.5179.4-62.7-42.5000111.5I39 S40 Y46 G47 L432I39-D43 HydrophobicContact CD1-CB 4.29Å; I39-D43 HydrophobicContact CG1-CB 3.89Å; S40-D43 PolarHBondContact O-N 2.94Å; S40-D43 VanDerWaalsContact O-N 3.08Å; S40-D43 PolarHBondContact OG-N 3.22Å; S40-D43 VanDerWaalsContact OG-N 3.08Å; S40-D43 PolarHBondContact OG-OD2 3.43Å; D43-Y46 PolarHBondContact O-N 2.89Å; D43-G47 PolarHBondContact O-N 3.32Å; D43-L432 HydrophobicContact CB-CD1 3.82Å
44L96.9Very high93.9Very high21 Ų2159.6 Ų59.611%0.1132%0.32CS..Hα-helixtrans-62.1-49174.2-75.7174.8000111.8I39 S40 D41 Y46 G47 L48 Q428 F479I39-L44 HydrophobicContact CD1-CD2 3.72Å; I39-L44 HydrophobicContact CD1-CG 4.01Å; I39-L44 HydrophobicContact CG1-CD2 4.29Å; I39-L44 HydrophobicContact CG1-CG 4.06Å; I39-L44 HydrophobicContact CG2-CD1 3.78Å; I39-L44 HydrophobicContact CG2-CD2 3.95Å; I39-L44 HydrophobicContact CG2-CG 3.77Å; S40-L44 PolarHBondContact O-N 3.17Å; D41-L44 PolarHBondContact O-N 3.35Å; L44-Y46 VanDerWaalsContact C-N 3.29Å; L44-Y46 PolarHBondContact O-N 3.14Å; L44-G47 PolarHBondContact O-N 3.1Å; L44-L48 WeakPolarHBondContact O-CB 3.41Å; L44-L48 PolarHBondContact O-N 2.63Å; L44-Q428 VanDerWaalsContact CD2-NE2 3.33Å; L44-F479 HydrophobicContact CD2-CD1 4.37Å
45Q97.8Very high95Very high122 Ų12255 Ų5557%0.5730%0.297SS*.Hα-helixtrans-64.8-35.7178-68.8-60.6-39.500111.7D41 V42 A49D41-Q45 WeakPolarHBondContact O-CB 3.1Å; D41-Q45 WeakPolarHBondContact O-CG 3.43Å; D41-Q45 PolarHBondContact O-N 2.92Å; V42-Q45 PolarHBondContact O-N 3.46Å; Q45-A49 WeakPolarHBondContact O-CB 3.32Å; Q45-A49 PolarHBondContact O-N 2.93Å
46Y98.3Very high95.9Very high117 Ų11754.3 Ų54.346%0.45930%0.295SS..Hα-helixtrans-62.3-52.1172.4172.8-98.9000111.4V42 D43 L44 L48 A49 K50 L432V42-Y46 VanDerWaalsContact O-CB 3.3Å; V42-Y46 WeakPolarHBondContact O-CB 3.44Å; V42-Y46 PolarHBondContact O-N 3.17Å; D43-Y46 PolarHBondContact O-N 2.89Å; L44-Y46 VanDerWaalsContact C-N 3.29Å; L44-Y46 PolarHBondContact O-N 3.14Å; Y46-L48 VanDerWaalsContact C-N 3.32Å; Y46-L48 PolarHBondContact O-N 3.34Å; Y46-A49 PolarHBondContact O-N 2.98Å; Y46-K50 HydrophobicContact CE2-CB 4.42Å; Y46-K50 WeakPolarHBondContact O-CB 3.27Å; Y46-K50 PolarHBondContact O-N 3.26Å; Y46-L432 HydrophobicContact CD1-CD2 4.04Å
47G98.4Very high96.5Very high0 Ų055.5 Ų55.50%030%0.301CS..Hα-helixtrans-56.6-46.8178.400000111.7D43 L44 K50 T51D43-G47 PolarHBondContact O-N 3.32Å; L44-G47 PolarHBondContact O-N 3.1Å; G47-K50 PolarHBondContact O-N 3.17Å; G47-T51 WeakPolarHBondContact O-CB 3.2Å; G47-T51 PolarHBondContact O-N 3.17Å; G47-T51 PolarHBondContact O-OG1 3.08Å
48L98.1Very high97.4Very high25 Ų2552.4 Ų52.413%0.13128%0.275CS..Hα-helixtrans-60.2-52.5177.9-173.765.2000112.8L44 Y46 K50 R52 Y476 F479 D480L44-L48 WeakPolarHBondContact O-CB 3.41Å; L44-L48 PolarHBondContact O-N 2.63Å; Y46-L48 VanDerWaalsContact C-N 3.32Å; Y46-L48 PolarHBondContact O-N 3.34Å; L48-K50 VanDerWaalsContact C-N 3.34Å; L48-K50 PolarHBondContact O-N 3.33Å; L48-R52 WeakPolarHBondContact O-CB 3.49Å; L48-R52 PolarHBondContact O-N 3.03Å; L48-R52 VanDerWaalsContact O-N 3.09Å; L48-Y476 HydrophobicContact CD1-CD1 4.49Å; L48-Y476 HydrophobicContact CD1-CD2 3.74Å; L48-Y476 HydrophobicContact CD1-CE1 4.08Å; L48-Y476 HydrophobicContact CD1-CE2 3.28Å; L48-Y476 HydrophobicContact CD1-CG 4.32Å; L48-Y476 VanDerWaalsContact CD1-CZ 3.44Å; L48-Y476 HydrophobicContact CG-CE2 4.14Å; L48-F479 HydrophobicContact CB-CB 4.15Å; L48-F479 HydrophobicContact CD1-CB 4.48Å; L48-D480 HydrophobicContact CD1-CB 3.63Å
49A98.5Very high97.8Very high60 Ų6049.1 Ų49.150%0.49625%0.251SS..Hα-helixtrans-65.7-39.2-177.900000111.7Q45 Y46 E53Q45-A49 WeakPolarHBondContact O-CB 3.32Å; Q45-A49 PolarHBondContact O-N 2.93Å; Y46-A49 PolarHBondContact O-N 2.98Å; A49-E53 WeakPolarHBondContact O-CB 3.43Å; A49-E53 PolarHBondContact O-N 2.7Å
50K98.7Very high98Very high36 Ų3652.3 Ų52.316%0.15727%0.269CS..Hα-helixtrans-72.5-42.2-178.7-177.560.3178.41710111.9Y46 G47 L48 R52 E53 M54 L435 E439Y46-K50 HydrophobicContact CE2-CB 4.42Å; Y46-K50 WeakPolarHBondContact O-CB 3.27Å; Y46-K50 PolarHBondContact O-N 3.26Å; G47-K50 PolarHBondContact O-N 3.17Å; L48-K50 VanDerWaalsContact C-N 3.34Å; L48-K50 PolarHBondContact O-N 3.33Å; K50-R52 VanDerWaalsContact C-N 3.32Å; K50-R52 PolarHBondContact O-N 3.21Å; K50-E53 IonicContact NZ-OE2 3.44Å; K50-E53 PolarHBondContact NZ-OE2 2.99Å; K50-E53 PolarHBondContact O-N 2.95Å; K50-M54 HydrophobicContact CG-SD 4.35Å; K50-M54 WeakPolarHBondContact O-CG 3.28Å; K50-M54 PolarHBondContact O-N 2.91Å; K50-L435 HydrophobicContact CB-CD2 3.83Å; K50-L435 HydrophobicContact CG-CD2 3.82Å; K50-L435 HydrophobicContact CG-CG 4.12Å; K50-E439 WeakPolarHBondContact CE-OE1 3.42Å; K50-E439 WeakPolarHBondContact CE-OE2 3.43Å; K50-E439 IonicContact NZ-OE1 2.93Å; K50-E439 PolarHBondContact NZ-OE1 3.42Å; K50-E439 IonicContact NZ-OE2 3.4Å; K50-E439 PolarHBondContact NZ-OE2 2.68Å
51T98.7Very high98.2Very high0 Ų050.9 Ų50.90%026%0.257CS..Hα-helixtrans-60.9-42.1173.4-56.20000111.5G47 E53 M54 F55 F113 L435 L472 L475G47-T51 WeakPolarHBondContact O-CB 3.2Å; G47-T51 PolarHBondContact O-N 3.17Å; G47-T51 PolarHBondContact O-OG1 3.08Å; T51-E53 VanDerWaalsContact C-N 3.35Å; T51-E53 PolarHBondContact O-N 3.14Å; T51-M54 PolarHBondContact O-N 2.93Å; T51-F55 WeakPolarHBondContact O-CB 3.47Å; T51-F55 PolarHBondContact O-N 2.81Å; T51-F113 HydrophobicContact CG2-CE1 4.2Å; T51-F113 HydrophobicContact CG2-CZ 4.2Å; T51-L435 WeakPolarHBondContact OG1-CD1 3.22Å; T51-L472 HydrophobicContact CG2-CB 4.35Å; T51-L472 HydrophobicContact CG2-CD2 4.24Å; T51-L472 WeakPolarHBondContact CG2-O 2.98Å; T51-L475 HydrophobicContact CG2-CB 3.73Å
52R98.8Very high98.4Very high77 Ų7745 Ų4529%0.29123%0.225SC..Hα-helixtrans-59.8-44174.5179.6-179.6-72.1-85.7-2.3112.1L48 K50 F55 Q56 F113 Y476L48-R52 WeakPolarHBondContact O-CB 3.49Å; L48-R52 PolarHBondContact O-N 3.03Å; L48-R52 VanDerWaalsContact O-N 3.09Å; K50-R52 VanDerWaalsContact C-N 3.32Å; K50-R52 PolarHBondContact O-N 3.21Å; R52-F55 PolarHBondContact O-N 2.63Å; R52-Q56 WeakPolarHBondContact O-CG 3.43Å; R52-Q56 PolarHBondContact O-N 2.66Å; R52-F113 HydrophobicContact CB-CD1 4.34Å; R52-F113 HydrophobicContact CB-CE1 4.48Å; R52-F113 HydrophobicContact CG-CD1 4.43Å; R52-F113 PolarHBondContact NH1-O 2.68Å; R52-F113 PolarHBondContact NH2-O 2.96Å; R52-Y476 HydrophobicContact CB-CE2 4.26Å; R52-Y476 PolarHBondContact NH2-OH 3.33Å
53E98.6Very high98.4Very high65 Ų6541.2 Ų41.230%0.30420%0.201SC..Hα-helixtrans-63.9-43.8177.2-176.7-83.8144.200111.9A49 K50 T51 F55 Q56 F57 R443A49-E53 WeakPolarHBondContact O-CB 3.43Å; A49-E53 PolarHBondContact O-N 2.7Å; K50-E53 IonicContact NZ-OE2 3.44Å; K50-E53 PolarHBondContact NZ-OE2 2.99Å; K50-E53 PolarHBondContact O-N 2.95Å; T51-E53 VanDerWaalsContact C-N 3.35Å; T51-E53 PolarHBondContact O-N 3.14Å; E53-F55 VanDerWaalsContact C-N 3.31Å; E53-F55 PolarHBondContact O-N 3.48Å; E53-Q56 PolarHBondContact O-N 2.94Å; E53-F57 VanDerWaalsContact O-CB 3.31Å; E53-F57 WeakPolarHBondContact O-CB 3.41Å; E53-F57 PolarHBondContact O-N 3.38Å; E53-R443 IonicContact OE1-CZ 3.22Å; E53-R443 VanDerWaalsContact OE1-CZ 3.31Å; E53-R443 IonicContact OE1-NH1 3.33Å; E53-R443 PolarHBondContact OE1-NH1 3.05Å; E53-R443 IonicContact OE1-NH2 2.76Å; E53-R443 PolarHBondContact OE1-NH2 3.41Å; E53-R443 IonicContact OE2-CZ 3.48Å; E53-R443 IonicContact OE2-NH1 3.36Å; E53-R443 PolarHBondContact OE2-NH1 2.87Å
54M98.8Very high98.5Very high0 Ų045.2 Ų45.20%022%0.218CC..Hα-helixtrans-61.2-41.6175.9-69.8173.47000111.6K50 T51 F57 G58 L435 L438 E439 F448 F467 L472K50-M54 HydrophobicContact CG-SD 4.35Å; K50-M54 WeakPolarHBondContact O-CG 3.28Å; K50-M54 PolarHBondContact O-N 2.91Å; T51-M54 PolarHBondContact O-N 2.93Å; M54-F57 PolarHBondContact O-N 2.91Å; M54-G58 PolarHBondContact O-N 3.37Å; M54-L435 HydrophobicContact CE-CD1 4.33Å; M54-L435 HydrophobicContact SD-CD1 3.33Å; M54-L435 WeakPolarHBondContact SD-CD1 3.33Å; M54-L435 HydrophobicContact SD-CG 4.11Å; M54-L438 HydrophobicContact CE-CB 3.94Å; M54-E439 HydrophobicContact CE-CB 4.37Å; M54-E439 WeakPolarHBondContact CG-OE2 3.26Å; M54-E439 HydrophobicContact SD-CB 4.3Å; M54-F448 HydrophobicContact CB-CE2 4.22Å; M54-F448 HydrophobicContact CB-CZ 3.7Å; M54-F448 HydrophobicContact CE-CD1 4.23Å; M54-F448 HydrophobicContact CE-CE1 3.47Å; M54-F448 VanDerWaalsContact CE-CE1 3.47Å; M54-F448 HydrophobicContact CE-CZ 3.76Å; M54-F448 HydrophobicContact CG-CE1 4.3Å; M54-F448 HydrophobicContact CG-CZ 3.77Å; M54-F448 WeakPolarHBondContact O-CE2 3.39Å; M54-F467 HydrophobicContact CE-CZ 4.32Å; M54-L472 HydrophobicContact CB-CD1 4.3Å; M54-L472 HydrophobicContact CB-CD2 4.2Å; M54-L472 HydrophobicContact CE-CD2 4.26Å
55F98.9Very high98.6Very high5 Ų547 Ų472%0.02223%0.226CC..Hα-helixtrans-63.2-50176.8177.3-95.8000111.6T51 R52 E53 F57 G58 W59 T106 L110 F113 L468 L472T51-F55 WeakPolarHBondContact O-CB 3.47Å; T51-F55 PolarHBondContact O-N 2.81Å; R52-F55 PolarHBondContact O-N 2.63Å; E53-F55 VanDerWaalsContact C-N 3.31Å; E53-F55 PolarHBondContact O-N 3.48Å; F55-F57 VanDerWaalsContact C-N 3.32Å; F55-F57 PolarHBondContact O-N 2.87Å; F55-G58 PolarHBondContact O-N 3.29Å; F55-W59 HydrophobicContact CE1-CB 4.35Å; F55-W59 HydrophobicContact CZ-CB 4.48Å; F55-W59 VanDerWaalsContact O-CB 3.22Å; F55-W59 WeakPolarHBondContact O-CB 3.33Å; F55-W59 PolarHBondContact O-N 3.16Å; F55-T106 HydrophobicContact CE2-CG2 3.61Å; F55-T106 HydrophobicContact CZ-CG2 3.57Å; F55-L110 HydrophobicContact CE1-CD2 3.86Å; F55-L110 HydrophobicContact CZ-CD2 3.87Å; F55-L110 HydrophobicContact CZ-CG 4.44Å; F55-F113 HydrophobicContact CB-CD1 4.07Å; F55-F113 HydrophobicContact CB-CD2 4.33Å; F55-F113 HydrophobicContact CB-CE1 3.52Å; F55-F113 HydrophobicContact CB-CE2 3.88Å; F55-F113 HydrophobicContact CB-CG 4.46Å; F55-F113 HydrophobicContact CB-CZ 3.45Å; F55-F113 VanDerWaalsContact CB-CZ 3.45Å; F55-F113 HydrophobicContact CD1-CB 4.25Å; F55-F113 HydrophobicContact CD1-CD1 4Å; F55-F113 AromaticContact CD1-CD2 3.58Å; F55-F113 HydrophobicContact CD1-CD2 3.58Å; F55-F113 HydrophobicContact CD1-CE1 4.27Å; F55-F113 AromaticContact CD1-CE2 3.94Å; F55-F113 HydrophobicContact CD1-CE2 3.94Å; F55-F113 AromaticContact CD1-CG 3.66Å; F55-F113 HydrophobicContact CD1-CG 3.66Å; F55-F113 HydrophobicContact CD1-CZ 4.27Å; F55-F113 AromaticContact CD2-CD2 3.64Å; F55-F113 HydrophobicContact CD2-CD2 3.64Å; F55-F113 HydrophobicContact CD2-CE1 4.46Å; F55-F113 AromaticContact CD2-CE2 3.23Å; F55-F113 HydrophobicContact CD2-CE2 3.23Å; F55-F113 HydrophobicContact CD2-CG 4.47Å; F55-F113 AromaticContact CD2-CZ 3.71Å; F55-F113 HydrophobicContact CD2-CZ 3.71Å; F55-F113 HydrophobicContact CE1-CB 4.24Å; F55-F113 AromaticContact CE1-CD2 3.69Å; F55-F113 HydrophobicContact CE1-CD2 3.69Å; F55-F113 HydrophobicContact CE1-CE2 4.31Å; F55-F113 AromaticContact CE1-CG 3.97Å; F55-F113 HydrophobicContact CE1-CG 3.97Å; F55-F113 AromaticContact CE2-CD2 3.74Å; F55-F113 HydrophobicContact CE2-CD2 3.74Å; F55-F113 AromaticContact CE2-CE2 3.66Å; F55-F113 HydrophobicContact CE2-CE2 3.66Å; F55-F113 HydrophobicContact CG-CD1 4.05Å; F55-F113 AromaticContact CG-CD2 3.56Å; F55-F113 HydrophobicContact CG-CD2 3.56Å; F55-F113 AromaticContact CG-CE1 3.84Å; F55-F113 HydrophobicContact CG-CE1 3.84Å; F55-F113 AromaticContact CG-CE2 3.38Å; F55-F113 HydrophobicContact CG-CE2 3.38Å; F55-F113 AromaticContact CG-CG 3.93Å; F55-F113 HydrophobicContact CG-CG 3.93Å; F55-F113 AromaticContact CG-CZ 3.53Å; F55-F113 HydrophobicContact CG-CZ 3.53Å; F55-F113 AromaticContact CZ-CD2 3.76Å; F55-F113 HydrophobicContact CZ-CD2 3.76Å; F55-F113 HydrophobicContact CZ-CE2 4.18Å; F55-F113 HydrophobicContact CZ-CG 4.49Å; F55-L468 HydrophobicContact CD2-CD2 4.35Å; F55-L468 HydrophobicContact CE2-CB 4.29Å; F55-L472 VanDerWaalsContact CA-CD1 3.48Å; F55-L472 HydrophobicContact CB-CD1 3.87Å; F55-L472 HydrophobicContact CD2-CB 4.4Å; F55-L472 HydrophobicContact CD2-CD1 4.26Å
56Q98.6Very high98.6Very high85 Ų8541.4 Ų41.440%0.39720%0.2SC..Hα-helixtrans-59-44.3176.8-72.8174.6-31.200111.2R52 E53 G58 W59 D60R52-Q56 WeakPolarHBondContact O-CG 3.43Å; R52-Q56 PolarHBondContact O-N 2.66Å; E53-Q56 PolarHBondContact O-N 2.94Å; Q56-G58 PolarHBondContact O-N 3.24Å; Q56-W59 PolarHBondContact O-N 3.14Å; Q56-D60 WeakPolarHBondContact O-CB 3.43Å; Q56-D60 PolarHBondContact O-N 3.39Å
57F98.8Very high98.6Very high40 Ų4038.6 Ų38.618%0.17519%0.19CC..Hα-helixtrans-59.9-46.8176.9179.2-111.4000112.3E53 M54 F55 N61 R443 V444 K445 F448E53-F57 VanDerWaalsContact O-CB 3.31Å; E53-F57 WeakPolarHBondContact O-CB 3.41Å; E53-F57 PolarHBondContact O-N 3.38Å; M54-F57 PolarHBondContact O-N 2.91Å; F55-F57 VanDerWaalsContact C-N 3.32Å; F55-F57 PolarHBondContact O-N 2.87Å; F57-N61 WeakPolarHBondContact CD2-ND2 3.36Å; F57-N61 WeakPolarHBondContact CE2-ND2 3.24Å; F57-N61 WeakPolarHBondContact O-CB 3.34Å; F57-N61 PolarHBondContact O-N 3.09Å; F57-N61 PolarHBondContact O-ND2 3.36Å; F57-R443 VanDerWaalsContact CD2-NH2 3.32Å; F57-R443 HydrophobicContact CE1-CG 3.96Å; F57-V444 WeakPolarHBondContact CZ-O 3.39Å; F57-K445 WeakPolarHBondContact CZ-O 3.46Å; F57-F448 AromaticContact CD1-CE2 3.78Å; F57-F448 HydrophobicContact CD1-CE2 3.78Å; F57-F448 HydrophobicContact CD1-CZ 4.02Å; F57-F448 HydrophobicContact CE1-CE2 4.5Å
58G98.6Very high98.5Very high0 Ų042.3 Ų42.30%022%0.215CC..Hα-helixtrans-67.6-44.9178.100000112.9M54 F55 Q56 Y62M54-G58 PolarHBondContact O-N 3.37Å; F55-G58 PolarHBondContact O-N 3.29Å; Q56-G58 PolarHBondContact O-N 3.24Å; G58-Y62 WeakPolarHBondContact O-CB 3.33Å; G58-Y62 PolarHBondContact O-N 3.21Å
59W98.8Very high98.5Very high5 Ų542.2 Ų42.22%0.01922%0.217CC..Hα-helixtrans-64.5-49.8180178.2-113000112.6F55 Q56 N61 Y62 M63 L103 T106 L110 E118 A122 L468F55-W59 HydrophobicContact CE1-CB 4.35Å; F55-W59 HydrophobicContact CZ-CB 4.48Å; F55-W59 VanDerWaalsContact O-CB 3.22Å; F55-W59 WeakPolarHBondContact O-CB 3.33Å; F55-W59 PolarHBondContact O-N 3.16Å; Q56-W59 PolarHBondContact O-N 3.14Å; W59-N61 VanDerWaalsContact C-N 3.3Å; W59-N61 PolarHBondContact O-N 3.1Å; W59-Y62 HydrophobicContact CE3-CD1 4.01Å; W59-Y62 HydrophobicContact CH2-CD1 4.43Å; W59-Y62 HydrophobicContact CH2-CE1 4.47Å; W59-Y62 AromaticContact CZ3-CD1 3.74Å; W59-Y62 HydrophobicContact CZ3-CD1 3.74Å; W59-Y62 HydrophobicContact CZ3-CE1 4.03Å; W59-Y62 WeakPolarHBondContact O-CB 3.49Å; W59-Y62 PolarHBondContact O-N 2.85Å; W59-M63 HydrophobicContact CD2-CG 4.02Å; W59-M63 HydrophobicContact CE3-CG 4.42Å; W59-M63 HydrophobicContact CH2-CG 4.21Å; W59-M63 HydrophobicContact CH2-SD 3.68Å; W59-M63 HydrophobicContact CZ2-CG 3.75Å; W59-M63 HydrophobicContact CZ2-SD 3.64Å; W59-M63 HydrophobicContact CZ3-SD 4.21Å; W59-M63 WeakPolarHBondContact O-CG 3.3Å; W59-M63 PolarHBondContact O-N 2.86Å; W59-L103 HydrophobicContact CH2-CD1 3.74Å; W59-L103 HydrophobicContact CZ2-CD1 4.35Å; W59-T106 HydrophobicContact CD2-CG2 4.17Å; W59-T106 HydrophobicContact CE3-CG2 3.49Å; W59-T106 VanDerWaalsContact CE3-CG2 3.49Å; W59-T106 HydrophobicContact CH2-CG2 4.43Å; W59-T106 VanDerWaalsContact CZ3-CB 3.48Å; W59-T106 HydrophobicContact CZ3-CG2 3.66Å; W59-L110 HydrophobicContact CZ2-CD1 4.09Å; W59-E118 WeakPolarHBondContact CZ2-OE1 3.34Å; W59-E118 PolarHBondContact NE1-OE1 2.82Å; W59-A122 HydrophobicContact CZ2-CB 4.36Å; W59-L468 HydrophobicContact CE3-CD1 4.25Å
60D98.7Very high98.5Very high93 Ų9339.4 Ų39.450%0.49719%0.194SC..Hα-helixtrans-62-41-178.4-70.3-16000110.9Q56 M63 E64Q56-D60 WeakPolarHBondContact O-CB 3.43Å; Q56-D60 PolarHBondContact O-N 3.39Å; D60-M63 PolarHBondContact O-N 3.19Å; D60-E64 WeakPolarHBondContact O-CB 3.5Å; D60-E64 PolarHBondContact O-N 3.39Å
61N98.8Very high98.5Very high19 Ų1937.8 Ų37.810%0.10219%0.187CC..Hα-helixtrans-70.8-35.2176.8-80.5-86.7000113F57 W59 M63 E64 H65 L72 C446F57-N61 WeakPolarHBondContact CD2-ND2 3.36Å; F57-N61 WeakPolarHBondContact CE2-ND2 3.24Å; F57-N61 WeakPolarHBondContact O-CB 3.34Å; F57-N61 PolarHBondContact O-N 3.09Å; F57-N61 PolarHBondContact O-ND2 3.36Å; W59-N61 VanDerWaalsContact C-N 3.3Å; W59-N61 PolarHBondContact O-N 3.1Å; N61-M63 VanDerWaalsContact C-N 3.33Å; N61-E64 PolarHBondContact O-N 3.13Å; N61-H65 VanDerWaalsContact O-CB 3.31Å; N61-H65 WeakPolarHBondContact O-CB 3.34Å; N61-H65 PolarHBondContact O-N 2.9Å; N61-H65 PolarHBondContact OD1-CD2 2.88Å; N61-H65 PolarHBondContact OD1-NE2 3.36Å; N61-L72 HydrophobicContact CB-CD2 4.09Å; N61-C446 HydrophobicContact CB-CB 4.23Å; N61-C446 WeakPolarHBondContact CB-O 3.12Å; N61-C446 VanDerWaalsContact CG-O 3.31Å; N61-C446 VanDerWaalsContact OD1-CA 3.28Å; N61-C446 WeakPolarHBondContact OD1-CA 3.35Å; N61-C446 WeakPolarHBondContact OD1-CB 3.5Å
62Y98.8Very high98.5Very high4 Ų437.8 Ų37.82%0.01619%0.187CC..Iπ-helixtrans-59-48.7170.1167.4-99.1000110.1G58 W59 E64 A66 F67 A69 L72 L103G58-Y62 WeakPolarHBondContact O-CB 3.33Å; G58-Y62 PolarHBondContact O-N 3.21Å; W59-Y62 HydrophobicContact CE3-CD1 4.01Å; W59-Y62 HydrophobicContact CH2-CD1 4.43Å; W59-Y62 HydrophobicContact CH2-CE1 4.47Å; W59-Y62 AromaticContact CZ3-CD1 3.74Å; W59-Y62 HydrophobicContact CZ3-CD1 3.74Å; W59-Y62 HydrophobicContact CZ3-CE1 4.03Å; W59-Y62 WeakPolarHBondContact O-CB 3.49Å; W59-Y62 PolarHBondContact O-N 2.85Å; Y62-E64 VanDerWaalsContact C-N 3.32Å; Y62-E64 PolarHBondContact O-N 3.36Å; Y62-A66 HydrophobicContact CD2-CB 3.57Å; Y62-A66 HydrophobicContact CE2-CB 3.88Å; Y62-A66 HydrophobicContact CG-CB 4.41Å; Y62-A66 CarbonylContact O-C 3.54Å; Y62-A66 WeakPolarHBondContact O-CA 3.37Å; Y62-A66 WeakPolarHBondContact O-CB 3.43Å; Y62-A66 PolarHBondContact O-N 3Å; Y62-F67 HydrophobicContact CE1-CB 4.43Å; Y62-F67 PolarHBondContact O-N 3.12Å; Y62-A69 WeakPolarHBondContact CE2-O 3.17Å; Y62-A69 PolarHBondContact OH-O 2.86Å; Y62-L72 HydrophobicContact CD2-CB 4.44Å; Y62-L103 HydrophobicContact CE1-CB 4.02Å; Y62-L103 PolarHBondContact OH-N 2.87Å; Y62-L103 VanDerWaalsContact OH-N 3.11Å
63M98.7Very high98.5Very high30 Ų3034.3 Ų34.315%0.14817%0.174CC..Iπ-helixtrans-65.8-31.9-179.7-69-53.9-60.800113.3W59 D60 N61 F67 L103 L125W59-M63 HydrophobicContact CD2-CG 4.02Å; W59-M63 HydrophobicContact CE3-CG 4.42Å; W59-M63 HydrophobicContact CH2-CG 4.21Å; W59-M63 HydrophobicContact CH2-SD 3.68Å; W59-M63 HydrophobicContact CZ2-CG 3.75Å; W59-M63 HydrophobicContact CZ2-SD 3.64Å; W59-M63 HydrophobicContact CZ3-SD 4.21Å; W59-M63 WeakPolarHBondContact O-CG 3.3Å; W59-M63 PolarHBondContact O-N 2.86Å; D60-M63 PolarHBondContact O-N 3.19Å; N61-M63 VanDerWaalsContact C-N 3.33Å; M63-F67 HydrophobicContact CE-CB 4.31Å; M63-F67 HydrophobicContact CE-CD1 4.49Å; M63-F67 HydrophobicContact CE-CD2 4.3Å; M63-F67 HydrophobicContact CE-CG 4.08Å; M63-F67 HydrophobicContact SD-CB 4.29Å; M63-L103 HydrophobicContact SD-CD1 4.46Å; M63-L125 HydrophobicContact CE-CD2 3.54Å
64E98.6Very high98.5Very high146 Ų14631.2 Ų31.268%0.68216%0.16SC*.Iπ-helixtrans-80.5-42.1178.5-172.2177.916300113.1D60 N61 Y62D60-E64 WeakPolarHBondContact O-CB 3.5Å; D60-E64 PolarHBondContact O-N 3.39Å; N61-E64 PolarHBondContact O-N 3.13Å; Y62-E64 VanDerWaalsContact C-N 3.32Å; Y62-E64 PolarHBondContact O-N 3.36Å
65H98.5Very high98.5Very high59 Ų5934.3 Ų34.327%0.27318%0.176SC..Iπ-helixtrans-112.2-23.9-165.4-61.9-43.2000114.8N61 L72 C77 R78 G79N61-H65 VanDerWaalsContact O-CB 3.31Å; N61-H65 WeakPolarHBondContact O-CB 3.34Å; N61-H65 PolarHBondContact O-N 2.9Å; N61-H65 PolarHBondContact OD1-CD2 2.88Å; N61-H65 PolarHBondContact OD1-NE2 3.36Å; H65-L72 HydrophobicContact CB-CD1 3.94Å; H65-C77 HydrophobicContact CB-CB 4.43Å; H65-R78 CarbonylContact O-C 3.58Å; H65-G79 PolarHBondContact O-N 3.41Å; H65-G79 VanDerWaalsContact O-N 3.17Å
66A98.3Very high98.4Very high4 Ų440.1 Ų40.13%0.03320%0.202CC..Iπ-helixtrans-111.9-40.9-17400000113.3Y62 A69 E71 L72Y62-A66 HydrophobicContact CD2-CB 3.57Å; Y62-A66 HydrophobicContact CE2-CB 3.88Å; Y62-A66 HydrophobicContact CG-CB 4.41Å; Y62-A66 CarbonylContact O-C 3.54Å; Y62-A66 WeakPolarHBondContact O-CA 3.37Å; Y62-A66 WeakPolarHBondContact O-CB 3.43Å; Y62-A66 PolarHBondContact O-N 3Å; A66-A69 WeakPolarHBondContact O-CA 3.46Å; A66-A69 WeakPolarHBondContact O-CB 3.2Å; A66-A69 PolarHBondContact O-N 3.29Å; A66-E71 WeakPolarHBondContact CB-O 3.4Å; A66-L72 HydrophobicContact CB-CB 3.92Å; A66-L72 HydrophobicContact CB-CD1 3.81Å; A66-L72 HydrophobicContact CB-CG 4.45Å
67F98.1Very high98.4Very high57 Ų5737 Ų3725%0.2519%0.189CC..THydrogen-bonded Turntrans-53128.6-179.5176.1-95.6000111.4Y62 M63 L103 L125 T129Y62-F67 HydrophobicContact CE1-CB 4.43Å; Y62-F67 PolarHBondContact O-N 3.12Å; M63-F67 HydrophobicContact CE-CB 4.31Å; M63-F67 HydrophobicContact CE-CD1 4.49Å; M63-F67 HydrophobicContact CE-CD2 4.3Å; M63-F67 HydrophobicContact CE-CG 4.08Å; M63-F67 HydrophobicContact SD-CB 4.29Å; F67-L103 HydrophobicContact CD2-CD2 4.12Å; F67-L103 HydrophobicContact CE2-CD2 3.64Å; F67-L125 HydrophobicContact CD1-CD2 4.39Å; F67-L125 HydrophobicContact CD2-CD2 3.99Å; F67-L125 HydrophobicContact CE1-CD1 4.03Å; F67-L125 HydrophobicContact CE1-CD2 3.9Å; F67-L125 HydrophobicContact CE1-CG 4.27Å; F67-L125 HydrophobicContact CE2-CD1 4.33Å; F67-L125 HydrophobicContact CE2-CD2 3.5Å; F67-L125 HydrophobicContact CE2-CG 3.76Å; F67-L125 HydrophobicContact CG-CD2 4.44Å; F67-L125 HydrophobicContact CZ-CD1 3.56Å; F67-L125 HydrophobicContact CZ-CD2 3.45Å; F67-L125 VanDerWaalsContact CZ-CD2 3.45Å; F67-L125 HydrophobicContact CZ-CG 3.51Å; F67-T129 HydrophobicContact CZ-CG2 4.12Å
68P97.3Very high98.4Very high79 Ų7941.7 Ų41.751%0.51321%0.206SC..THydrogen-bonded Turncis-96.115.411.839.5-38000116S100P68-S100 WeakPolarHBondContact O-CA 3.28Å; P68-S100 WeakPolarHBondContact O-CB 3.21Å; P68-S100 PolarHBondContact O-OG 2.99Å
69A98Very high98.3Very high23 Ų2343.2 Ų43.219%0.1922%0.222CC..SBendtrans-62.7163.7174.800000111.8Y62 A66 R80Y62-A69 WeakPolarHBondContact CE2-O 3.17Å; Y62-A69 PolarHBondContact OH-O 2.86Å; A66-A69 WeakPolarHBondContact O-CA 3.46Å; A66-A69 WeakPolarHBondContact O-CB 3.2Å; A66-A69 PolarHBondContact O-N 3.29Å; A69-R80 WeakPolarHBondContact CB-O 3.28Å
70D98.2Very high98.2Very high0 Ų045.4 Ų45.40%023%0.231CC..SBendtrans-72.7-42.4-174.4-69.4-32.8000111.8R80 L96 G97 D98 Y99 S100 L101 G102D70-R80 PolarHBondContact N-O 3.21Å; D70-L96 HydrophobicContact CB-CB 4.18Å; D70-L96 HydrophobicContact CB-CD2 3.61Å; D70-L96 HydrophobicContact CB-CG 4.31Å; D70-L96 VanDerWaalsContact OD2-C 3.3Å; D70-L96 VanDerWaalsContact OD2-CA 3.32Å; D70-L96 WeakPolarHBondContact OD2-CA 3.48Å; D70-L96 WeakPolarHBondContact OD2-CB 3.32Å; D70-G97 PolarHBondContact OD2-N 2.93Å; D70-D98 WeakPolarHBondContact OD2-CA 3.47Å; D70-D98 PolarHBondContact OD2-N 3.16Å; D70-Y99 PolarHBondContact OD1-N 3.3Å; D70-S100 WeakPolarHBondContact OD1-CA 3.37Å; D70-S100 PolarHBondContact OD1-N 2.81Å; D70-L101 HydrophobicContact CB-CB 3.66Å; D70-L101 PolarHBondContact OD1-N 3.29Å; D70-G102 WeakPolarHBondContact O-CA 3.35Å; D70-G102 PolarHBondContact O-N 3.02Å
71E98.1Very high98.1Very high2 Ų242 Ų421%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-135.6171.9-177.9-71-172.8152.700112.2A66 G79 R80 L96 R462 E464 S465A66-E71 WeakPolarHBondContact CB-O 3.4Å; E71-G79 WeakPolarHBondContact O-CA 3.39Å; E71-R80 HydrophobicContact CB-CB 4.45Å; E71-R80 PolarHBondContact N-O 2.94Å; E71-R80 PolarHBondContact O-N 3.02Å; E71-L96 HydrophobicContact CB-CD2 4.46Å; E71-L96 HydrophobicContact CG-CD2 3.73Å; E71-R462 IonicContact OE1-NH2 3.67Å; E71-R462 IonicContact OE2-CZ 2.92Å; E71-R462 IonicContact OE2-NE 3.76Å; E71-R462 PolarHBondContact OE2-NE 2.94Å; E71-R462 IonicContact OE2-NH2 3.08Å; E71-R462 PolarHBondContact OE2-NH2 3.36Å; E71-E464 WeakPolarHBondContact OE1-CA 3.35Å; E71-S465 PolarHBondContact OE1-N 3.5Å; E71-S465 PolarHBondContact OE1-OG 2.83Å
72L98.6Very high98Very high1 Ų141.9 Ų41.91%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-106.8135.5178.3177.563.2000110.8N61 Y62 H65 A66 P74 C446 M463N61-L72 HydrophobicContact CB-CD2 4.09Å; Y62-L72 HydrophobicContact CD2-CB 4.44Å; H65-L72 HydrophobicContact CB-CD1 3.94Å; A66-L72 HydrophobicContact CB-CB 3.92Å; A66-L72 HydrophobicContact CB-CD1 3.81Å; A66-L72 HydrophobicContact CB-CG 4.45Å; L72-P74 HydrophobicContact CD2-CB 4.36Å; L72-P74 HydrophobicContact CG-CB 4.28Å; L72-P74 VanDerWaalsContact O-CD 3.24Å; L72-P74 WeakPolarHBondContact O-CD 3.38Å; L72-C446 WeakPolarHBondContact CD2-O 3.38Å; L72-M463 HydrophobicContact CB-CB 4.42Å; L72-M463 HydrophobicContact CB-CE 4.09Å; L72-M463 HydrophobicContact CD2-CE 3.68Å; L72-M463 HydrophobicContact CD2-SD 4.46Å; L72-M463 HydrophobicContact CG-CE 4.47Å; L72-M463 PolarHBondContact O-N 2.99Å
73D98.6Very high97.8Very high4 Ų443.6 Ų43.62%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-90.395.2161.1-79.59.9000107.4I75 C77 R78 R80 D461D73-I75 PolarHBondContact O-N 3.06Å; D73-C77 VanDerWaalsContact O-CA 3.24Å; D73-C77 WeakPolarHBondContact O-CA 3.38Å; D73-C77 PolarHBondContact O-N 3.09Å; D73-R78 HydrophobicContact CB-CG 3.6Å; D73-R78 WeakPolarHBondContact CB-O 3.46Å; D73-R78 PolarHBondContact N-O 2.74Å; D73-R78 PolarHBondContact O-N 3.32Å; D73-R78 IonicContact OD2-CZ 2.98Å; D73-R78 IonicContact OD2-NE 3.6Å; D73-R78 PolarHBondContact OD2-NE 3.02Å; D73-R78 IonicContact OD2-NH2 3.41Å; D73-R78 PolarHBondContact OD2-NH2 3.34Å; D73-R78 VanDerWaalsContact OD2-NH2 3.09Å; D73-R80 IonicContact OD1-CZ 3.65Å; D73-R80 IonicContact OD1-NE 2.96Å; D73-R80 PolarHBondContact OD1-NE 3.3Å; D73-R80 IonicContact OD1-NH1 3Å; D73-R80 PolarHBondContact OD1-NH1 3.29Å; D73-R80 IonicContact OD1-NH2 3.9Å; D73-R80 PolarHBondContact OD1-NH2 3.06Å; D73-R80 IonicContact OD2-NH2 2.7Å; D73-D461 WeakPolarHBondContact CA-OD1 3.39Å; D73-D461 WeakPolarHBondContact CB-OD2 3.43Å; D73-D461 VanDerWaalsContact OD1-O 3.13Å
74P98.5Very high97.6Very high0 Ų047.5 Ų47.50%024%0.243CC..THydrogen-bonded Turntrans-80.5-15.4-164.935.9-41000114.4L72 V444 C446 F448 A449 D461 M463L72-P74 HydrophobicContact CD2-CB 4.36Å; L72-P74 HydrophobicContact CG-CB 4.28Å; L72-P74 VanDerWaalsContact O-CD 3.24Å; L72-P74 WeakPolarHBondContact O-CD 3.38Å; P74-V444 HydrophobicContact CB-CG2 3.53Å; P74-V444 HydrophobicContact CG-CG2 3.75Å; P74-V444 WeakPolarHBondContact O-CG2 3.43Å; P74-C446 WeakPolarHBondContact O-CB 3.38Å; P74-C446 PolarHBondContact O-N 3.35Å; P74-F448 WeakPolarHBondContact CG-O 3.17Å; P74-A449 HydrophobicContact CG-CB 4.05Å; P74-D461 VanDerWaalsContact CD-OD1 3.26Å; P74-D461 WeakPolarHBondContact CD-OD1 3.48Å; P74-M463 HydrophobicContact CB-CB 4.47Å; P74-M463 HydrophobicContact CG-CB 4.14Å
75I98.4Very high97.5Very high65 Ų6548.3 Ų48.333%0.33325%0.252SS..THydrogen-bonded Turntrans-80.5-47.9174.6-57178.6000109.5D73 V444 A449 L459 D461D73-I75 PolarHBondContact O-N 3.06Å; I75-V444 HydrophobicContact CG1-CB 4.23Å; I75-V444 HydrophobicContact CG1-CG1 4.1Å; I75-V444 HydrophobicContact CG1-CG2 4.05Å; I75-A449 HydrophobicContact CD1-CB 4.29Å; I75-A449 HydrophobicContact CG1-CB 4.24Å; I75-L459 HydrophobicContact CD1-CB 4.27Å; I75-D461 WeakPolarHBondContact CA-OD1 3.36Å; I75-D461 HydrophobicContact CB-CB 4.16Å; I75-D461 WeakPolarHBondContact CB-OD1 3.11Å; I75-D461 HydrophobicContact CD1-CB 4.05Å; I75-D461 HydrophobicContact CG1-CB 4.25Å; I75-D461 PolarHBondContact N-OD1 3.1Å
76H98.3Very high97.3Very high126 Ų12649 Ų4958%0.58326%0.258SS*.THydrogen-bonded Turntrans-89.8-6.3179.6-64.4105000113.9R78 D461H76-R78 HydrophobicContact CB-CG 4.37Å; H76-D461 WeakPolarHBondContact CB-OD2 3.48Å; H76-D461 IonicContact CE1-OD2 2.82Å; H76-D461 IonicContact CG-OD2 2.83Å; H76-D461 PolarHBondContact N-OD1 3.01Å; H76-D461 IonicContact ND1-OD2 3.48Å; H76-D461 PolarHBondContact ND1-OD2 2.98Å
77C98.4Very high96.8Very high19 Ų1952.6 Ų52.613%0.12828%0.281CS..THydrogen-bonded Turntrans5758.4178.1-47.30000112.4H65 D73 C446H65-C77 HydrophobicContact CB-CB 4.43Å; D73-C77 VanDerWaalsContact O-CA 3.24Å; D73-C77 WeakPolarHBondContact O-CA 3.38Å; D73-C77 PolarHBondContact O-N 3.09Å; C77-C446 HydrophobicContact CB-CB 3.73Å; C77-C446 WeakPolarHBondContact CB-SG 3.36Å; C77-C446 WeakPolarHBondContact SG-CB 3.25Å; C77-C446 CovalentContact SG-SG 2.02Å; C77-C446 PolarHBondContact SG-SG 3.24Å
78R98.1Very high96.4Very high139 Ų13956.5 Ų56.553%0.52530%0.304SS..EExtended strand (participates in β ladder)trans-144.6160.3179.765.4179.9-175.6-177.50.6111.8H65 D73 H76H65-R78 CarbonylContact O-C 3.58Å; D73-R78 HydrophobicContact CB-CG 3.6Å; D73-R78 WeakPolarHBondContact CB-O 3.46Å; D73-R78 PolarHBondContact N-O 2.74Å; D73-R78 PolarHBondContact O-N 3.32Å; D73-R78 IonicContact OD2-CZ 2.98Å; D73-R78 IonicContact OD2-NE 3.6Å; D73-R78 PolarHBondContact OD2-NE 3.02Å; D73-R78 IonicContact OD2-NH2 3.41Å; D73-R78 PolarHBondContact OD2-NH2 3.34Å; D73-R78 VanDerWaalsContact OD2-NH2 3.09Å; H76-R78 HydrophobicContact CB-CG 4.37Å
79G97.8Very high96.2Very high33 Ų3354.6 Ų54.634%0.3429%0.29SS..EExtended strand (participates in β ladder)trans-74146.3173.400000113.5H65 E71H65-G79 PolarHBondContact O-N 3.41Å; H65-G79 VanDerWaalsContact O-N 3.17Å; E71-G79 WeakPolarHBondContact O-CA 3.39Å
80R96.3Very high95.9Very high51 Ų5157.2 Ų57.219%0.19230%0.3CS..EExtended strand (participates in β ladder)trans-117136.7167.3179-176.2-82.1122.13.8109.2A69 D70 E71 D73 L96 D461 R462A69-R80 WeakPolarHBondContact CB-O 3.28Å; D70-R80 PolarHBondContact N-O 3.21Å; E71-R80 HydrophobicContact CB-CB 4.45Å; E71-R80 PolarHBondContact N-O 2.94Å; E71-R80 PolarHBondContact O-N 3.02Å; D73-R80 IonicContact OD1-CZ 3.65Å; D73-R80 IonicContact OD1-NE 2.96Å; D73-R80 PolarHBondContact OD1-NE 3.3Å; D73-R80 IonicContact OD1-NH1 3Å; D73-R80 PolarHBondContact OD1-NH1 3.29Å; D73-R80 IonicContact OD1-NH2 3.9Å; D73-R80 PolarHBondContact OD1-NH2 3.06Å; D73-R80 IonicContact OD2-NH2 2.7Å; R80-L96 HydrophobicContact CG-CD1 3.62Å; R80-D461 PolarHBondContact NH1-O 2.72Å; R80-D461 PolarHBondContact NH2-O 2.86Å; R80-R462 VanDerWaalsContact NH1-CA 3.34Å
81G96.2Very high95.4Very high21 Ų2163.2 Ų63.222%0.21633%0.332CS..  trans-137.8-161.2174.800000110.6D83 L96G81-D83 PolarHBondContact O-N 2.98Å; G81-L96 WeakPolarHBondContact O-CD1 3.43Å
82H95.8Very high95.2Very high16 Ų1664.2 Ų64.27%0.07434%0.338CS..  trans-56.4135.8178.3-176.9-83.9000111.1H84 L96 D98 T136H82-H84 AromaticContact ND1-CE1 3.66Å; H82-H84 AromaticContact ND1-CG 3.97Å; H82-H84 AromaticContact ND1-ND1 3.75Å; H82-H84 AromaticContact ND1-NE2 3.86Å; H82-H84 PolarHBondContact O-CD2 2.81Å; H82-H84 PolarHBondContact O-N 2.74Å; H82-L96 VanDerWaalsContact CB-O 3.32Å; H82-L96 WeakPolarHBondContact CB-O 3.4Å; H82-L96 PolarHBondContact CD2-O 3.14Å; H82-L96 VanDerWaalsContact CD2-O 3.25Å; H82-D98 PolarHBondContact N-OD1 3.05Å; H82-T136 HydrophobicContact CB-CG2 3.96Å
83D96.2Very high95Very high41 Ų4164.3 Ų64.322%0.21934%0.339CS..  trans-77.591.4175.5-170.9-13.3000109.8G81 D85 N86 N89 V92 N93G81-D83 PolarHBondContact O-N 2.98Å; D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 PolarHBondContact OD1-N 3.44Å; D83-D85 VanDerWaalsContact OD1-N 3.15Å; D83-N86 CarbonylContact O-C 3.57Å; D83-N86 VanDerWaalsContact O-C 3.28Å; D83-N86 PolarHBondContact OD1-N 3.09Å; D83-N89 HydrophobicContact CB-CB 4.14Å; D83-N89 PolarHBondContact OD2-ND2 3.21Å; D83-V92 HydrophobicContact CB-CG1 4.36Å; D83-N93 WeakPolarHBondContact CA-OD1 3.33Å; D83-N93 VanDerWaalsContact CB-OD1 3.31Å; D83-N93 WeakPolarHBondContact CB-OD1 3.32Å; D83-N93 PolarHBondContact N-OD1 3.05Å; D83-N93 PolarHBondContact O-ND2 3.34Å
84H94.1Very high94.8Very high111 Ų11165 Ų6551%0.51434%0.342SS..SBendtrans-72.4-23.6177.6-68.7-79000113.5H82 D98H82-H84 AromaticContact ND1-CE1 3.66Å; H82-H84 AromaticContact ND1-CG 3.97Å; H82-H84 AromaticContact ND1-ND1 3.75Å; H82-H84 AromaticContact ND1-NE2 3.86Å; H82-H84 PolarHBondContact O-CD2 2.81Å; H82-H84 PolarHBondContact O-N 2.74Å; H84-D98 IonicContact CD2-OD2 3.09Å; H84-D98 IonicContact CE1-OD2 2.63Å; H84-D98 PolarHBondContact CE1-OD2 3Å; H84-D98 VanDerWaalsContact CE1-OD2 3.24Å; H84-D98 IonicContact NE2-OD1 3.33Å; H84-D98 IonicContact NE2-OD2 3.28Å; H84-D98 PolarHBondContact NE2-OD2 3.02Å
85D95.3Very high94.5Very high164 Ų16465.6 Ų65.688%0.87735%0.346SS*.SBendtrans-77.5-30.2179.2-70.5-28.5000110.9D83D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 PolarHBondContact OD1-N 3.44Å; D83-D85 VanDerWaalsContact OD1-N 3.15Å
86N94.2Very high94.5Very high74 Ų7462.5 Ų62.540%0.39633%0.33SS..  trans-131.286.1174.7-175.714.7000112D83 D88 N89 N93D83-N86 CarbonylContact O-C 3.57Å; D83-N86 VanDerWaalsContact O-C 3.28Å; D83-N86 PolarHBondContact OD1-N 3.09Å; N86-D88 PolarHBondContact O-N 2.72Å; N86-D88 PolarHBondContact OD1-N 3.4Å; N86-N89 HydrophobicContact CB-CB 4.23Å; N86-N89 WeakPolarHBondContact O-CB 3.39Å; N86-N89 PolarHBondContact O-N 3Å; N86-N93 PolarHBondContact O-ND2 2.97Å; N86-N93 VanDerWaalsContact O-ND2 3.12Å
87P88.6Confident94.3Very high79 Ų7956.5 Ų56.551%0.51330%0.302SS..THydrogen-bonded Turntrans-58.3-22.1178.7-26.735.9000114.9N89 N93P87-N89 VanDerWaalsContact C-N 3.29Å; P87-N93 PolarHBondContact O-ND2 2.76Å; P87-N93 VanDerWaalsContact O-ND2 3.1Å
88D89.3Confident94.3Very high139 Ų13957.7 Ų57.774%0.74331%0.307SS*.THydrogen-bonded Turntrans-86.64.9178.5-62.4-41.1000113N86 I90N86-D88 PolarHBondContact O-N 2.72Å; N86-D88 PolarHBondContact OD1-N 3.4Å; D88-I90 PolarHBondContact O-N 3.09Å
89N93.5Very high94.2Very high38 Ų3851.1 Ų51.120%0.20328%0.283CS..  trans-74.173.5176.9-170.2-1000111.9D83 N86 P87 N91 V92 N93D83-N89 HydrophobicContact CB-CB 4.14Å; D83-N89 PolarHBondContact OD2-ND2 3.21Å; N86-N89 HydrophobicContact CB-CB 4.23Å; N86-N89 WeakPolarHBondContact O-CB 3.39Å; N86-N89 PolarHBondContact O-N 3Å; P87-N89 VanDerWaalsContact C-N 3.29Å; N89-N91 PolarHBondContact O-N 2.68Å; N89-V92 WeakPolarHBondContact ND2-CG2 3.4Å; N89-V92 PolarHBondContact O-N 2.63Å; N89-N93 WeakPolarHBondContact O-CB 3.47Å; N89-N93 PolarHBondContact O-N 2.86Å
90I90.9Very high94.2Very high78 Ų7849.8 Ų49.840%0.427%0.268SS..Hα-helixtrans-58.9-29.9-175.663173.6000113.6D88 V92 D94D88-I90 PolarHBondContact O-N 3.09Å; I90-V92 PolarHBondContact O-N 3.11Å; I90-V92 VanDerWaalsContact O-N 3.15Å; I90-D94 WeakPolarHBondContact O-CB 3.39Å; I90-D94 PolarHBondContact O-N 3.24Å
91N88.8Confident94.3Very high126 Ų12647.4 Ų47.467%0.67426%0.259SS*.Hα-helixtrans-67.3-16.7-179.6-65.1-25.4000113N89N89-N91 PolarHBondContact O-N 2.68Å
92V92.9Very high94.4Very high23 Ų2346.6 Ų46.614%0.13925%0.251CS..Hα-helixtrans-112.8-53.1178.8178.90000109.6D83 N89 I90 D94 V95 L96D83-V92 HydrophobicContact CB-CG1 4.36Å; N89-V92 WeakPolarHBondContact ND2-CG2 3.4Å; N89-V92 PolarHBondContact O-N 2.63Å; I90-V92 PolarHBondContact O-N 3.11Å; I90-V92 VanDerWaalsContact O-N 3.15Å; V92-D94 VanDerWaalsContact C-N 3.3Å; V92-D94 PolarHBondContact O-N 2.81Å; V92-V95 PolarHBondContact O-N 2.86Å; V92-L96 HydrophobicContact CG1-CB 4.49Å; V92-L96 HydrophobicContact CG1-CD1 3.59Å; V92-L96 HydrophobicContact CG1-CG 4.18Å; V92-L96 WeakPolarHBondContact O-CB 3.31Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 3.18Å
93N94.8Very high94.5Very high3 Ų345.8 Ų45.82%0.01625%0.247CC..Hα-helixtrans-72.3-20.3-169.3-63.9-12.7000113.8D83 N86 P87 N89 V95D83-N93 WeakPolarHBondContact CA-OD1 3.33Å; D83-N93 VanDerWaalsContact CB-OD1 3.31Å; D83-N93 WeakPolarHBondContact CB-OD1 3.32Å; D83-N93 PolarHBondContact N-OD1 3.05Å; D83-N93 PolarHBondContact O-ND2 3.34Å; N86-N93 PolarHBondContact O-ND2 2.97Å; N86-N93 VanDerWaalsContact O-ND2 3.12Å; P87-N93 PolarHBondContact O-ND2 2.76Å; P87-N93 VanDerWaalsContact O-ND2 3.1Å; N89-N93 WeakPolarHBondContact O-CB 3.47Å; N89-N93 PolarHBondContact O-N 2.86Å; N93-V95 PolarHBondContact O-N 2.72Å
94D93.9Very high94.6Very high18 Ų1843.9 Ų43.910%0.09624%0.237CC..THydrogen-bonded Turntrans-61.3-33.9177.4-78.12.6000111.9I90 V92 Q139 R203I90-D94 WeakPolarHBondContact O-CB 3.39Å; I90-D94 PolarHBondContact O-N 3.24Å; V92-D94 VanDerWaalsContact C-N 3.3Å; V92-D94 PolarHBondContact O-N 2.81Å; D94-Q139 HydrophobicContact CB-CB 3.78Å; D94-Q139 WeakPolarHBondContact O-CB 3.22Å; D94-Q139 PolarHBondContact O-N 3.15Å; D94-R203 IonicContact OD1-CZ 3.63Å; D94-R203 IonicContact OD1-NE 2.75Å; D94-R203 PolarHBondContact OD1-NE 3.48Å; D94-R203 IonicContact OD1-NH2 3.62Å; D94-R203 PolarHBondContact OD1-NH2 2.97Å; D94-R203 IonicContact OD2-CZ 3.04Å; D94-R203 IonicContact OD2-NE 3.32Å; D94-R203 PolarHBondContact OD2-NE 3.26Å; D94-R203 IonicContact OD2-NH2 3.97Å; D94-R203 PolarHBondContact OD2-NH2 3.31Å
95V93.8Very high94.8Very high13 Ų1338.8 Ų38.88%0.07921%0.213CC..THydrogen-bonded Turntrans-106.2-33.1-176.1179.10000112.3V92 N93 Y99 L101 E142V92-V95 PolarHBondContact O-N 2.86Å; N93-V95 PolarHBondContact O-N 2.72Å; V95-Y99 PolarHBondContact O-OH 2.96Å; V95-L101 HydrophobicContact CG1-CD2 3.33Å; V95-E142 HydrophobicContact CG2-CB 3.98Å; V95-E142 HydrophobicContact CG2-CG 3.63Å
96L96.7Very high94.9Very high0 Ų031 Ų310%017%0.172CC..  trans-97.8109-173.4-49.6-169.7000111.2D70 E71 R80 G81 H82 V92 L101D70-L96 HydrophobicContact CB-CB 4.18Å; D70-L96 HydrophobicContact CB-CD2 3.61Å; D70-L96 HydrophobicContact CB-CG 4.31Å; D70-L96 VanDerWaalsContact OD2-C 3.3Å; D70-L96 VanDerWaalsContact OD2-CA 3.32Å; D70-L96 WeakPolarHBondContact OD2-CA 3.48Å; D70-L96 WeakPolarHBondContact OD2-CB 3.32Å; E71-L96 HydrophobicContact CB-CD2 4.46Å; E71-L96 HydrophobicContact CG-CD2 3.73Å; R80-L96 HydrophobicContact CG-CD1 3.62Å; G81-L96 WeakPolarHBondContact O-CD1 3.43Å; H82-L96 VanDerWaalsContact CB-O 3.32Å; H82-L96 WeakPolarHBondContact CB-O 3.4Å; H82-L96 PolarHBondContact CD2-O 3.14Å; H82-L96 VanDerWaalsContact CD2-O 3.25Å; V92-L96 HydrophobicContact CG1-CB 4.49Å; V92-L96 HydrophobicContact CG1-CD1 3.59Å; V92-L96 HydrophobicContact CG1-CG 4.18Å; V92-L96 WeakPolarHBondContact O-CB 3.31Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 3.18Å; L96-L101 HydrophobicContact CD2-CD2 3.94Å
97G95.9Very high95.1Very high0 Ų027.5 Ų27.50%015%0.153CC..  trans-113.99.8-175.900000115.7D70 Y99 T136D70-G97 PolarHBondContact OD2-N 2.93Å; G97-Y99 VanDerWaalsContact CA-CE1 3.48Å; G97-T136 PolarHBondContact O-OG1 3.09Å
98D96.6Very high95.5Very high44 Ų4425.1 Ų25.124%0.23514%0.136CC..SBendtrans60.144.2-171.7-59.3-33.2000114D70 H82 H84 K134D70-D98 WeakPolarHBondContact OD2-CA 3.47Å; D70-D98 PolarHBondContact OD2-N 3.16Å; H82-D98 PolarHBondContact N-OD1 3.05Å; H84-D98 IonicContact CD2-OD2 3.09Å; H84-D98 IonicContact CE1-OD2 2.63Å; H84-D98 PolarHBondContact CE1-OD2 3Å; H84-D98 VanDerWaalsContact CE1-OD2 3.24Å; H84-D98 IonicContact NE2-OD1 3.33Å; H84-D98 IonicContact NE2-OD2 3.28Å; H84-D98 PolarHBondContact NE2-OD2 3.02Å; D98-K134 VanDerWaalsContact O-CE 3.27Å; D98-K134 WeakPolarHBondContact O-CE 3.46Å; D98-K134 PolarHBondContact O-NZ 3.17Å; D98-K134 VanDerWaalsContact O-NZ 3.14Å
99Y96.6Very high95.9Very high2 Ų218.5 Ų18.51%0.00810%0.1CC..SBendtrans-120.216.3-17846-124.9000113.9D70 V95 G97 L101 I104 V130 F132 V138 V147 L206D70-Y99 PolarHBondContact OD1-N 3.3Å; V95-Y99 PolarHBondContact O-OH 2.96Å; G97-Y99 VanDerWaalsContact CA-CE1 3.48Å; Y99-L101 HydrophobicContact CD2-CB 4.1Å; Y99-L101 HydrophobicContact CE2-CB 3.73Å; Y99-L101 HydrophobicContact CE2-CD1 3.94Å; Y99-L101 HydrophobicContact CE2-CG 4.29Å; Y99-I104 VanDerWaalsContact O-CD1 3.26Å; Y99-I104 WeakPolarHBondContact O-CD1 3.44Å; Y99-V130 WeakPolarHBondContact O-CG2 3.27Å; Y99-F132 HydrophobicContact CD1-CD1 4.21Å; Y99-F132 HydrophobicContact CD1-CE1 4.23Å; Y99-F132 HydrophobicContact CG-CD1 4.49Å; Y99-F132 HydrophobicContact CG-CE1 4.17Å; Y99-V138 HydrophobicContact CE1-CG1 4.15Å; Y99-V147 HydrophobicContact CD2-CG2 3.89Å; Y99-V147 HydrophobicContact CE1-CG2 4.2Å; Y99-V147 HydrophobicContact CE2-CG2 3.32Å; Y99-V147 VanDerWaalsContact CZ-CG2 3.5Å; Y99-L206 HydrophobicContact CD1-CD1 4.32Å; Y99-L206 HydrophobicContact CE1-CD1 4.5Å
100S97.8Very high96.2Very high5 Ų516.7 Ų16.74%0.0359%0.091CC..  trans61.550.7-177.7-50.10000111.6P68 D70 G102 L103 I104P68-S100 WeakPolarHBondContact O-CA 3.28Å; P68-S100 WeakPolarHBondContact O-CB 3.21Å; P68-S100 PolarHBondContact O-OG 2.99Å; D70-S100 WeakPolarHBondContact OD1-CA 3.37Å; D70-S100 PolarHBondContact OD1-N 2.81Å; S100-G102 PolarHBondContact O-N 2.92Å; S100-L103 WeakPolarHBondContact O-CB 3.48Å; S100-L103 PolarHBondContact O-N 2.92Å; S100-I104 PolarHBondContact O-N 3.08Å
101L98.3Very high96.5Very high0 Ų013.3 Ų13.30%07%0.074CC..Hα-helixtrans-44.2-56.7-178.917957.4000112.9D70 V95 L96 Y99 L103 I104 D105 R146 V147 S465D70-L101 HydrophobicContact CB-CB 3.66Å; D70-L101 PolarHBondContact OD1-N 3.29Å; V95-L101 HydrophobicContact CG1-CD2 3.33Å; L96-L101 HydrophobicContact CD2-CD2 3.94Å; Y99-L101 HydrophobicContact CD2-CB 4.1Å; Y99-L101 HydrophobicContact CE2-CB 3.73Å; Y99-L101 HydrophobicContact CE2-CD1 3.94Å; Y99-L101 HydrophobicContact CE2-CG 4.29Å; L101-L103 PolarHBondContact O-N 3.05Å; L101-L103 VanDerWaalsContact O-N 3.16Å; L101-I104 PolarHBondContact O-N 3.19Å; L101-D105 HydrophobicContact CD1-CB 4.32Å; L101-D105 VanDerWaalsContact O-CB 3.3Å; L101-D105 WeakPolarHBondContact O-CB 3.47Å; L101-D105 PolarHBondContact O-N 3.34Å; L101-R146 HydrophobicContact CD1-CB 3.7Å; L101-R146 HydrophobicContact CD1-CG 4.49Å; L101-V147 HydrophobicContact CD1-CG2 4.01Å; L101-S465 WeakPolarHBondContact CD2-OG 3.41Å
102G97.9Very high96.9Very high4 Ų47.7 Ų7.74%0.0414%0.044CC..Hα-helixtrans-58.6-31.8-17700000113.8D70 S100 T106D70-G102 WeakPolarHBondContact O-CA 3.35Å; D70-G102 PolarHBondContact O-N 3.02Å; S100-G102 PolarHBondContact O-N 2.92Å; G102-T106 VanDerWaalsContact O-CB 3.24Å; G102-T106 WeakPolarHBondContact O-CB 3.31Å; G102-T106 PolarHBondContact O-N 3.34Å; G102-T106 PolarHBondContact O-OG1 3.28Å
103L98.6Very high97.1Very high0 Ų06.7 Ų6.70%04%0.038CC..Hα-helixtrans-67.4-45.9173171.463.5000111.4W59 Y62 M63 F67 S100 L101 L107 A122 L125 V126W59-L103 HydrophobicContact CH2-CD1 3.74Å; W59-L103 HydrophobicContact CZ2-CD1 4.35Å; Y62-L103 HydrophobicContact CE1-CB 4.02Å; Y62-L103 PolarHBondContact OH-N 2.87Å; Y62-L103 VanDerWaalsContact OH-N 3.11Å; M63-L103 HydrophobicContact SD-CD1 4.46Å; F67-L103 HydrophobicContact CD2-CD2 4.12Å; F67-L103 HydrophobicContact CE2-CD2 3.64Å; S100-L103 WeakPolarHBondContact O-CB 3.48Å; S100-L103 PolarHBondContact O-N 2.92Å; L101-L103 PolarHBondContact O-N 3.05Å; L101-L103 VanDerWaalsContact O-N 3.16Å; L103-L107 WeakPolarHBondContact O-CG 3.26Å; L103-A122 HydrophobicContact CD1-CB 3.79Å; L103-L125 HydrophobicContact CD1-CD2 4.26Å; L103-L125 HydrophobicContact CD2-CB 4.13Å; L103-L125 HydrophobicContact CD2-CD2 3.89Å; L103-L125 HydrophobicContact CD2-CG 3.87Å; L103-V126 HydrophobicContact CD1-CG2 4.31Å; L103-V126 HydrophobicContact CD2-CG2 3.6Å; L103-V126 HydrophobicContact CG-CG2 3.6Å
104I98.7Very high97.1Very high0 Ų09 Ų90%06%0.062CC..Hα-helixtrans-69.6-47.4-177.4-66.1168.7000110.5Y99 S100 L101 T106 L107 V126 V130 V147 L151Y99-I104 VanDerWaalsContact O-CD1 3.26Å; Y99-I104 WeakPolarHBondContact O-CD1 3.44Å; S100-I104 PolarHBondContact O-N 3.08Å; L101-I104 PolarHBondContact O-N 3.19Å; I104-T106 VanDerWaalsContact C-N 3.27Å; I104-T106 PolarHBondContact O-N 3.32Å; I104-L107 WeakPolarHBondContact O-CB 3.33Å; I104-L107 WeakPolarHBondContact O-CG 3.44Å; I104-L107 PolarHBondContact O-N 3.35Å; I104-V126 HydrophobicContact CG1-CG1 4.48Å; I104-V126 HydrophobicContact CG1-CG2 4.13Å; I104-V130 HydrophobicContact CD1-CG1 3.91Å; I104-V130 HydrophobicContact CD1-CG2 4.06Å; I104-V130 HydrophobicContact CG1-CG2 4.35Å; I104-V147 HydrophobicContact CD1-CG1 3.91Å; I104-V147 HydrophobicContact CG2-CG1 4.3Å; I104-L151 HydrophobicContact CG2-CD2 4.25Å; I104-L151 HydrophobicContact CG2-CG 3.99Å
105D97.4Very high97.3Very high5 Ų511 Ų113%0.0277%0.073CC..Hα-helixtrans-65.9-31.9-173.8-153.844.6000111.8L101 S465 S469L101-D105 HydrophobicContact CD1-CB 4.32Å; L101-D105 VanDerWaalsContact O-CB 3.3Å; L101-D105 WeakPolarHBondContact O-CB 3.47Å; L101-D105 PolarHBondContact O-N 3.34Å; D105-S465 WeakPolarHBondContact OD2-CB 3.12Å; D105-S469 WeakPolarHBondContact O-CB 3.32Å; D105-S469 VanDerWaalsContact OD2-CB 3.24Å; D105-S469 WeakPolarHBondContact OD2-CB 3.33Å; D105-S469 PolarHBondContact OD2-OG 3.39Å
106T98.3Very high97.5Very high0 Ų010.9 Ų10.90%07%0.073CC..THydrogen-bonded Turntrans-85.4-5.4-178.4-52.10000113.9F55 W59 G102 I104 D108 S109 L110 L468F55-T106 HydrophobicContact CE2-CG2 3.61Å; F55-T106 HydrophobicContact CZ-CG2 3.57Å; W59-T106 HydrophobicContact CD2-CG2 4.17Å; W59-T106 HydrophobicContact CE3-CG2 3.49Å; W59-T106 VanDerWaalsContact CE3-CG2 3.49Å; W59-T106 HydrophobicContact CH2-CG2 4.43Å; W59-T106 VanDerWaalsContact CZ3-CB 3.48Å; W59-T106 HydrophobicContact CZ3-CG2 3.66Å; G102-T106 VanDerWaalsContact O-CB 3.24Å; G102-T106 WeakPolarHBondContact O-CB 3.31Å; G102-T106 PolarHBondContact O-N 3.34Å; G102-T106 PolarHBondContact O-OG1 3.28Å; I104-T106 VanDerWaalsContact C-N 3.27Å; I104-T106 PolarHBondContact O-N 3.32Å; T106-D108 PolarHBondContact O-N 2.94Å; T106-S109 WeakPolarHBondContact O-CB 3.33Å; T106-S109 PolarHBondContact O-N 2.95Å; T106-L110 PolarHBondContact O-N 3.4Å; T106-L110 VanDerWaalsContact O-N 3.14Å; T106-L468 HydrophobicContact CG2-CB 4.12Å
107L98.5Very high97.5Very high0 Ų017.1 Ų17.10%011%0.106CC..Hα-helixtrans-57.1-46.7-172.7-73.2175.7000113.1L103 I104 L110 F119 A122 V123 V126 A154L103-L107 WeakPolarHBondContact O-CG 3.26Å; I104-L107 WeakPolarHBondContact O-CB 3.33Å; I104-L107 WeakPolarHBondContact O-CG 3.44Å; I104-L107 PolarHBondContact O-N 3.35Å; L107-L110 WeakPolarHBondContact O-CB 3.49Å; L107-L110 PolarHBondContact O-N 3.4Å; L107-F119 HydrophobicContact CB-CE2 4.46Å; L107-F119 VanDerWaalsContact O-CD2 3.24Å; L107-F119 WeakPolarHBondContact O-CD2 3.5Å; L107-A122 HydrophobicContact CD2-CB 3.59Å; L107-V123 HydrophobicContact CD2-CG2 4.16Å; L107-V126 HydrophobicContact CD1-CG2 4.24Å; L107-V126 HydrophobicContact CD2-CG2 4.46Å; L107-A154 HydrophobicContact CB-CB 3.8Å; L107-A154 HydrophobicContact CD1-CB 3.55Å; L107-A154 HydrophobicContact CG-CB 4.3Å
108D97.1Very high97.7Very high29 Ų2918.3 Ų18.316%0.15511%0.112CC..Hα-helixtrans-78.1-24.9-178.672.9-23.5000112.2T106 L110 V111 V112 A153 I157 K473T106-D108 PolarHBondContact O-N 2.94Å; D108-L110 VanDerWaalsContact C-N 3.32Å; D108-L110 PolarHBondContact O-N 3.4Å; D108-V111 WeakPolarHBondContact O-CA 3.44Å; D108-V111 VanDerWaalsContact O-CB 3.24Å; D108-V111 WeakPolarHBondContact O-CB 3.45Å; D108-V111 PolarHBondContact O-N 3.02Å; D108-V111 VanDerWaalsContact O-N 3.08Å; D108-V112 PolarHBondContact O-N 3.28Å; D108-V112 VanDerWaalsContact O-N 3.16Å; D108-A153 HydrophobicContact CB-CB 4.2Å; D108-I157 HydrophobicContact CB-CD1 4.35Å; D108-K473 VanDerWaalsContact OD1-CE 3.31Å; D108-K473 WeakPolarHBondContact OD1-CE 3.33Å; D108-K473 IonicContact OD1-NZ 3.24Å; D108-K473 PolarHBondContact OD1-NZ 2.95Å; D108-K473 WeakPolarHBondContact OD2-CE 3.39Å; D108-K473 IonicContact OD2-NZ 3.32Å; D108-K473 PolarHBondContact OD2-NZ 3.41Å
109S98Very high97.7Very high0 Ų016.2 Ų16.20%010%0.101CC..Hα-helixtrans-58.6-42.7166.9-84.40000111.6T106 V111 V112 F113 L468 S469 K473T106-S109 WeakPolarHBondContact O-CB 3.33Å; T106-S109 PolarHBondContact O-N 2.95Å; S109-V111 PolarHBondContact O-N 2.98Å; S109-V112 WeakPolarHBondContact O-CA 3.34Å; S109-V112 WeakPolarHBondContact O-CB 3.26Å; S109-V112 PolarHBondContact O-N 3.41Å; S109-F113 WeakPolarHBondContact O-CD2 3.23Å; S109-F113 PolarHBondContact O-N 3.14Å; S109-L468 WeakPolarHBondContact CB-O 3.47Å; S109-L468 PolarHBondContact OG-O 3.4Å; S109-S469 WeakPolarHBondContact OG-CA 3.45Å; S109-S469 PolarHBondContact OG-O 2.9Å; S109-K473 VanDerWaalsContact OG-CE 3.23Å; S109-K473 WeakPolarHBondContact OG-CE 3.24Å
110L98.4Very high97.8Very high1 Ų119 Ų191%0.00511%0.113CC..Hα-helixtrans-55.2-30.3175.8-64.3169.2000112.2F55 W59 T106 L107 D108 G114 D115 E118 F119 A122F55-L110 HydrophobicContact CE1-CD2 3.86Å; F55-L110 HydrophobicContact CZ-CD2 3.87Å; F55-L110 HydrophobicContact CZ-CG 4.44Å; W59-L110 HydrophobicContact CZ2-CD1 4.09Å; T106-L110 PolarHBondContact O-N 3.4Å; T106-L110 VanDerWaalsContact O-N 3.14Å; L107-L110 WeakPolarHBondContact O-CB 3.49Å; L107-L110 PolarHBondContact O-N 3.4Å; D108-L110 VanDerWaalsContact C-N 3.32Å; D108-L110 PolarHBondContact O-N 3.4Å; L110-G114 PolarHBondContact O-N 3.04Å; L110-D115 PolarHBondContact O-N 3.36Å; L110-E118 HydrophobicContact CD1-CG 4.04Å; L110-E118 HydrophobicContact CD2-CB 4.26Å; L110-E118 HydrophobicContact CD2-CG 3.6Å; L110-E118 HydrophobicContact CG-CG 4.45Å; L110-F119 HydrophobicContact CB-CB 4.08Å; L110-F119 HydrophobicContact CB-CD2 4.47Å; L110-A122 HydrophobicContact CD1-CB 3.75Å
111V97.2Very high97.9Very high7 Ų724.5 Ų24.54%0.04213%0.133CC..Hα-helixtrans-71.4-46.4175.2-1790000111D108 S109 F113 G114 F119 I157 F165 F168D108-V111 WeakPolarHBondContact O-CA 3.44Å; D108-V111 VanDerWaalsContact O-CB 3.24Å; D108-V111 WeakPolarHBondContact O-CB 3.45Å; D108-V111 PolarHBondContact O-N 3.02Å; D108-V111 VanDerWaalsContact O-N 3.08Å; S109-V111 PolarHBondContact O-N 2.98Å; V111-F113 VanDerWaalsContact C-N 3.3Å; V111-F113 PolarHBondContact O-N 3.44Å; V111-G114 PolarHBondContact O-N 3Å; V111-F119 HydrophobicContact CG2-CD2 3.64Å; V111-F119 HydrophobicContact CG2-CE2 3.75Å; V111-F119 HydrophobicContact CG2-CG 4.13Å; V111-F119 HydrophobicContact CG2-CZ 4.34Å; V111-I157 HydrophobicContact CB-CD1 4.33Å; V111-I157 HydrophobicContact CG1-CD1 4.26Å; V111-I157 HydrophobicContact CG1-CG2 4.3Å; V111-I157 HydrophobicContact CG2-CD1 3.93Å; V111-I157 HydrophobicContact CG2-CG2 3.89Å; V111-F165 HydrophobicContact CG1-CB 3.91Å; V111-F168 HydrophobicContact CB-CD1 4.4Å; V111-F168 HydrophobicContact CB-CE1 4.13Å; V111-F168 HydrophobicContact CB-CE2 4.35Å; V111-F168 HydrophobicContact CB-CZ 4.12Å; V111-F168 HydrophobicContact CG1-CD1 4.4Å; V111-F168 HydrophobicContact CG1-CD2 3.77Å; V111-F168 HydrophobicContact CG1-CE1 4.26Å; V111-F168 HydrophobicContact CG1-CE2 3.63Å; V111-F168 HydrophobicContact CG1-CG 4.16Å; V111-F168 HydrophobicContact CG1-CZ 3.89Å; V111-F168 HydrophobicContact CG2-CD1 3.83Å; V111-F168 HydrophobicContact CG2-CE1 3.96Å; V111-F168 HydrophobicContact CG2-CG 4.16Å; V111-F168 HydrophobicContact CG2-CZ 4.42Å; V111-F168 WeakPolarHBondContact O-CZ 3.41Å
112V97.1Very high97.9Very high7 Ų724.5 Ų24.54%0.04213%0.133CC..Hα-helixtrans-60.8-38.6175.6171.90000112D108 S109 G114 K473 Y476 L477 H483 I485D108-V112 PolarHBondContact O-N 3.28Å; D108-V112 VanDerWaalsContact O-N 3.16Å; S109-V112 WeakPolarHBondContact O-CA 3.34Å; S109-V112 WeakPolarHBondContact O-CB 3.26Å; S109-V112 PolarHBondContact O-N 3.41Å; V112-G114 PolarHBondContact O-N 3.28Å; V112-K473 HydrophobicContact CB-CG 4.17Å; V112-K473 HydrophobicContact CG1-CG 4.09Å; V112-K473 HydrophobicContact CG2-CD 4.3Å; V112-K473 HydrophobicContact CG2-CG 3.82Å; V112-Y476 HydrophobicContact CG1-CD1 3.69Å; V112-Y476 HydrophobicContact CG1-CE1 4.48Å; V112-Y476 HydrophobicContact CG1-CG 4.36Å; V112-Y476 WeakPolarHBondContact O-CD1 3.16Å; V112-Y476 WeakPolarHBondContact O-CE1 3.36Å; V112-L477 HydrophobicContact CG1-CD1 4.33Å; V112-L477 HydrophobicContact CG1-CD2 3.85Å; V112-L477 HydrophobicContact CG1-CG 3.77Å; V112-H483 PolarHBondContact O-NE2 2.77Å; V112-I485 HydrophobicContact CG2-CD1 4.02Å
113F97.4Very high97.9Very high3 Ų324.3 Ų24.31%0.01313%0.131CC..THydrogen-bonded Turntrans-78.8-3.5175.3-72.4-83.6000113.3T51 R52 F55 S109 V111 L472 Y476T51-F113 HydrophobicContact CG2-CE1 4.2Å; T51-F113 HydrophobicContact CG2-CZ 4.2Å; R52-F113 HydrophobicContact CB-CD1 4.34Å; R52-F113 HydrophobicContact CB-CE1 4.48Å; R52-F113 HydrophobicContact CG-CD1 4.43Å; R52-F113 PolarHBondContact NH1-O 2.68Å; R52-F113 PolarHBondContact NH2-O 2.96Å; F55-F113 HydrophobicContact CB-CD1 4.07Å; F55-F113 HydrophobicContact CB-CD2 4.33Å; F55-F113 HydrophobicContact CB-CE1 3.52Å; F55-F113 HydrophobicContact CB-CE2 3.88Å; F55-F113 HydrophobicContact CB-CG 4.46Å; F55-F113 HydrophobicContact CB-CZ 3.45Å; F55-F113 VanDerWaalsContact CB-CZ 3.45Å; F55-F113 HydrophobicContact CD1-CB 4.25Å; F55-F113 HydrophobicContact CD1-CD1 4Å; F55-F113 AromaticContact CD1-CD2 3.58Å; F55-F113 HydrophobicContact CD1-CD2 3.58Å; F55-F113 HydrophobicContact CD1-CE1 4.27Å; F55-F113 AromaticContact CD1-CE2 3.94Å; F55-F113 HydrophobicContact CD1-CE2 3.94Å; F55-F113 AromaticContact CD1-CG 3.66Å; F55-F113 HydrophobicContact CD1-CG 3.66Å; F55-F113 HydrophobicContact CD1-CZ 4.27Å; F55-F113 AromaticContact CD2-CD2 3.64Å; F55-F113 HydrophobicContact CD2-CD2 3.64Å; F55-F113 HydrophobicContact CD2-CE1 4.46Å; F55-F113 AromaticContact CD2-CE2 3.23Å; F55-F113 HydrophobicContact CD2-CE2 3.23Å; F55-F113 HydrophobicContact CD2-CG 4.47Å; F55-F113 AromaticContact CD2-CZ 3.71Å; F55-F113 HydrophobicContact CD2-CZ 3.71Å; F55-F113 HydrophobicContact CE1-CB 4.24Å; F55-F113 AromaticContact CE1-CD2 3.69Å; F55-F113 HydrophobicContact CE1-CD2 3.69Å; F55-F113 HydrophobicContact CE1-CE2 4.31Å; F55-F113 AromaticContact CE1-CG 3.97Å; F55-F113 HydrophobicContact CE1-CG 3.97Å; F55-F113 AromaticContact CE2-CD2 3.74Å; F55-F113 HydrophobicContact CE2-CD2 3.74Å; F55-F113 AromaticContact CE2-CE2 3.66Å; F55-F113 HydrophobicContact CE2-CE2 3.66Å; F55-F113 HydrophobicContact CG-CD1 4.05Å; F55-F113 AromaticContact CG-CD2 3.56Å; F55-F113 HydrophobicContact CG-CD2 3.56Å; F55-F113 AromaticContact CG-CE1 3.84Å; F55-F113 HydrophobicContact CG-CE1 3.84Å; F55-F113 AromaticContact CG-CE2 3.38Å; F55-F113 HydrophobicContact CG-CE2 3.38Å; F55-F113 AromaticContact CG-CG 3.93Å; F55-F113 HydrophobicContact CG-CG 3.93Å; F55-F113 AromaticContact CG-CZ 3.53Å; F55-F113 HydrophobicContact CG-CZ 3.53Å; F55-F113 AromaticContact CZ-CD2 3.76Å; F55-F113 HydrophobicContact CZ-CD2 3.76Å; F55-F113 HydrophobicContact CZ-CE2 4.18Å; F55-F113 HydrophobicContact CZ-CG 4.49Å; S109-F113 WeakPolarHBondContact O-CD2 3.23Å; S109-F113 PolarHBondContact O-N 3.14Å; V111-F113 VanDerWaalsContact C-N 3.3Å; V111-F113 PolarHBondContact O-N 3.44Å; F113-L472 HydrophobicContact CZ-CB 4.03Å; F113-Y476 AromaticContact CD1-CD2 3.45Å; F113-Y476 HydrophobicContact CD1-CD2 3.45Å; F113-Y476 VanDerWaalsContact CD1-CD2 3.45Å; F113-Y476 AromaticContact CD1-CE2 3.81Å; F113-Y476 HydrophobicContact CD1-CE2 3.81Å; F113-Y476 AromaticContact CD1-CG 3.9Å; F113-Y476 HydrophobicContact CD1-CG 3.9Å; F113-Y476 AromaticContact CE1-CD2 3.28Å; F113-Y476 HydrophobicContact CE1-CD2 3.28Å; F113-Y476 HydrophobicContact CE1-CE2 4.1Å; F113-Y476 AromaticContact CE1-CG 3.63Å; F113-Y476 HydrophobicContact CE1-CG 3.63Å; F113-Y476 HydrophobicContact CG-CD2 4.48Å; F113-Y476 HydrophobicContact CZ-CD2 4.18Å; F113-Y476 HydrophobicContact CZ-CG 4.1Å
114G96Very high97.9Very high51 Ų5127 Ų2753%0.52615%0.146SC..THydrogen-bonded Turntrans77.116.6175.300000114.9L110 V111 V112 A116L110-G114 PolarHBondContact O-N 3.04Å; V111-G114 PolarHBondContact O-N 3Å; V112-G114 PolarHBondContact O-N 3.28Å; G114-A116 PolarHBondContact O-N 3.06Å
115D97.1Very high97.9Very high60 Ų6028.7 Ų28.732%0.32115%0.154SC..  trans-94.780.5-176.6-159.8-27.8000111.8L110 D117 E118 F119L110-D115 PolarHBondContact O-N 3.36Å; D115-D117 PolarHBondContact O-N 3.37Å; D115-E118 HydrophobicContact CB-CB 4.04Å; D115-E118 WeakPolarHBondContact OD1-CB 3.2Å; D115-E118 PolarHBondContact OD1-N 3.26Å; D115-F119 WeakPolarHBondContact O-CB 3.41Å; D115-F119 PolarHBondContact O-N 2.78Å
116A97.5Very high98Very high10 Ų1028.4 Ų28.48%0.08315%0.153CC..Hα-helixtrans-69-31.2-175.400000113.9G114 K120 P167 F168G114-A116 PolarHBondContact O-N 3.06Å; A116-K120 WeakPolarHBondContact O-CD 3.48Å; A116-K120 WeakPolarHBondContact O-CG 3.18Å; A116-K120 PolarHBondContact O-N 2.86Å; A116-P167 HydrophobicContact CB-CG 3.92Å; A116-F168 HydrophobicContact CB-CD1 3.85Å; A116-F168 HydrophobicContact CB-CE1 3.74Å; A116-F168 HydrophobicContact CB-CZ 4.3Å
117D98.1Very high98Very high131 Ų13131.1 Ų31.170%0.70117%0.167SC*.Hα-helixtrans-72.6-43.6179.1-71.8-24.8000110.1D115 K120 R121D115-D117 PolarHBondContact O-N 3.37Å; D117-K120 PolarHBondContact O-N 3.34Å; D117-R121 WeakPolarHBondContact O-CB 3.3Å; D117-R121 PolarHBondContact O-N 2.85Å
118E98.3Very high97.9Very high26 Ų2638.9 Ų38.912%0.12120%0.2CC..Hα-helixtrans-66.6-42.2176.4-175.855.1-159.800112.2W59 L110 D115 K120 R121 A122W59-E118 WeakPolarHBondContact CZ2-OE1 3.34Å; W59-E118 PolarHBondContact NE1-OE1 2.82Å; L110-E118 HydrophobicContact CD1-CG 4.04Å; L110-E118 HydrophobicContact CD2-CB 4.26Å; L110-E118 HydrophobicContact CD2-CG 3.6Å; L110-E118 HydrophobicContact CG-CG 4.45Å; D115-E118 HydrophobicContact CB-CB 4.04Å; D115-E118 WeakPolarHBondContact OD1-CB 3.2Å; D115-E118 PolarHBondContact OD1-N 3.26Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.02Å; E118-R121 WeakPolarHBondContact O-CB 3.48Å; E118-R121 PolarHBondContact O-N 2.92Å; E118-R121 VanDerWaalsContact O-N 3.14Å; E118-R121 IonicContact OE1-CZ 2.63Å; E118-R121 IonicContact OE1-NE 3.58Å; E118-R121 PolarHBondContact OE1-NE 3.39Å; E118-R121 IonicContact OE1-NH2 2.7Å; E118-R121 PolarHBondContact OE1-NH2 3.48Å; E118-R121 IonicContact OE2-CZ 2.66Å; E118-R121 VanDerWaalsContact OE2-CZ 3.28Å; E118-R121 IonicContact OE2-NE 3.8Å; E118-R121 PolarHBondContact OE2-NE 3.24Å; E118-R121 IonicContact OE2-NH2 3.71Å; E118-R121 PolarHBondContact OE2-NH2 3.24Å; E118-R121 VanDerWaalsContact OE2-NH2 3.09Å; E118-A122 WeakPolarHBondContact O-CB 3.35Å; E118-A122 PolarHBondContact O-N 3.1Å
119F98.6Very high97.9Very high0 Ų040.5 Ų40.50%021%0.212CC..Hα-helixtrans-53.1-51173173.4-103000111.7L107 L110 V111 D115 R121 A122 V123 A154 I157 A158 F168L107-F119 HydrophobicContact CB-CE2 4.46Å; L107-F119 VanDerWaalsContact O-CD2 3.24Å; L107-F119 WeakPolarHBondContact O-CD2 3.5Å; L110-F119 HydrophobicContact CB-CB 4.08Å; L110-F119 HydrophobicContact CB-CD2 4.47Å; V111-F119 HydrophobicContact CG2-CD2 3.64Å; V111-F119 HydrophobicContact CG2-CE2 3.75Å; V111-F119 HydrophobicContact CG2-CG 4.13Å; V111-F119 HydrophobicContact CG2-CZ 4.34Å; D115-F119 WeakPolarHBondContact O-CB 3.41Å; D115-F119 PolarHBondContact O-N 2.78Å; F119-R121 VanDerWaalsContact C-N 3.31Å; F119-R121 PolarHBondContact O-N 3.03Å; F119-A122 PolarHBondContact O-N 3.21Å; F119-V123 HydrophobicContact CD1-CG2 4.38Å; F119-V123 HydrophobicContact CD2-CG2 4.26Å; F119-V123 HydrophobicContact CE1-CG2 3.99Å; F119-V123 HydrophobicContact CE2-CG2 3.87Å; F119-V123 HydrophobicContact CZ-CG2 3.72Å; F119-V123 WeakPolarHBondContact O-CG2 3.48Å; F119-V123 PolarHBondContact O-N 3.44Å; F119-A154 HydrophobicContact CE2-CB 4.15Å; F119-A154 HydrophobicContact CZ-CB 4.39Å; F119-I157 HydrophobicContact CE1-CG2 4.22Å; F119-I157 HydrophobicContact CZ-CB 4.22Å; F119-I157 HydrophobicContact CZ-CG2 3.96Å; F119-A158 HydrophobicContact CE1-CB 4.11Å; F119-A158 HydrophobicContact CZ-CB 4.18Å; F119-F168 HydrophobicContact CB-CD1 3.92Å; F119-F168 HydrophobicContact CB-CE1 4.16Å; F119-F168 HydrophobicContact CD1-CB 4.12Å; F119-F168 AromaticContact CD1-CD1 3.78Å; F119-F168 HydrophobicContact CD1-CD1 3.78Å; F119-F168 HydrophobicContact CD1-CG 4.44Å; F119-F168 HydrophobicContact CE1-CB 4.14Å; F119-F168 HydrophobicContact CE1-CD1 4.5Å; F119-F168 AromaticContact CG-CD1 3.88Å; F119-F168 HydrophobicContact CG-CD1 3.88Å
120K98.5Very high97.9Very high60 Ų6041 Ų4126%0.26122%0.215SC..Hα-helixtrans-64.5-36.3179.8-68.1171.3-171.8167.50111.9A116 D117 E118 N124 P167 M170A116-K120 WeakPolarHBondContact O-CD 3.48Å; A116-K120 WeakPolarHBondContact O-CG 3.18Å; A116-K120 PolarHBondContact O-N 2.86Å; D117-K120 PolarHBondContact O-N 3.34Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.02Å; K120-N124 WeakPolarHBondContact O-CB 3.48Å; K120-N124 PolarHBondContact O-N 3.43Å; K120-N124 VanDerWaalsContact O-N 3.17Å; K120-N124 PolarHBondContact O-ND2 2.8Å; K120-P167 VanDerWaalsContact CE-O 3.22Å; K120-P167 WeakPolarHBondContact CE-O 3.44Å; K120-P167 PolarHBondContact NZ-O 3.34Å; K120-M170 HydrophobicContact CB-CE 4.4Å; K120-M170 HydrophobicContact CB-SD 4.26Å; K120-M170 HydrophobicContact CD-CG 4.26Å; K120-M170 HydrophobicContact CG-CG 3.73Å; K120-M170 HydrophobicContact CG-SD 3.94Å
121R98.5Very high97.8Very high120 Ų12043.4 Ų43.445%0.45323%0.232SC..Hα-helixtrans-63.8-48.1174-173.1-177.376.3112.8-6.8110.9D117 E118 F119 N124 L125D117-R121 WeakPolarHBondContact O-CB 3.3Å; D117-R121 PolarHBondContact O-N 2.85Å; E118-R121 WeakPolarHBondContact O-CB 3.48Å; E118-R121 PolarHBondContact O-N 2.92Å; E118-R121 VanDerWaalsContact O-N 3.14Å; E118-R121 IonicContact OE1-CZ 2.63Å; E118-R121 IonicContact OE1-NE 3.58Å; E118-R121 PolarHBondContact OE1-NE 3.39Å; E118-R121 IonicContact OE1-NH2 2.7Å; E118-R121 PolarHBondContact OE1-NH2 3.48Å; E118-R121 IonicContact OE2-CZ 2.66Å; E118-R121 VanDerWaalsContact OE2-CZ 3.28Å; E118-R121 IonicContact OE2-NE 3.8Å; E118-R121 PolarHBondContact OE2-NE 3.24Å; E118-R121 IonicContact OE2-NH2 3.71Å; E118-R121 PolarHBondContact OE2-NH2 3.24Å; E118-R121 VanDerWaalsContact OE2-NH2 3.09Å; F119-R121 VanDerWaalsContact C-N 3.31Å; F119-R121 PolarHBondContact O-N 3.03Å; R121-N124 PolarHBondContact O-N 2.9Å; R121-L125 PolarHBondContact O-N 2.91Å
122A98.6Very high97.9Very high1 Ų143.1 Ų43.11%0.00823%0.23CC..Hα-helixtrans-64.1-44.5-179.100000111.9W59 L103 L107 L110 E118 F119 N124 L125 V126W59-A122 HydrophobicContact CZ2-CB 4.36Å; L103-A122 HydrophobicContact CD1-CB 3.79Å; L107-A122 HydrophobicContact CD2-CB 3.59Å; L110-A122 HydrophobicContact CD1-CB 3.75Å; E118-A122 WeakPolarHBondContact O-CB 3.35Å; E118-A122 PolarHBondContact O-N 3.1Å; F119-A122 PolarHBondContact O-N 3.21Å; A122-N124 VanDerWaalsContact C-N 3.34Å; A122-N124 PolarHBondContact O-N 2.98Å; A122-L125 WeakPolarHBondContact O-CA 3.48Å; A122-L125 WeakPolarHBondContact O-CB 3.4Å; A122-L125 PolarHBondContact O-N 3.34Å; A122-V126 PolarHBondContact O-N 3.36Å
123V98.8Very high97.8Very high0 Ų048.7 Ų48.70%026%0.255CS..Hα-helixtrans-56.4-48173168.10000111.1L107 F119 L125 V126 I127 M170 Y173 L177L107-V123 HydrophobicContact CD2-CG2 4.16Å; F119-V123 HydrophobicContact CD1-CG2 4.38Å; F119-V123 HydrophobicContact CD2-CG2 4.26Å; F119-V123 HydrophobicContact CE1-CG2 3.99Å; F119-V123 HydrophobicContact CE2-CG2 3.87Å; F119-V123 HydrophobicContact CZ-CG2 3.72Å; F119-V123 WeakPolarHBondContact O-CG2 3.48Å; F119-V123 PolarHBondContact O-N 3.44Å; V123-L125 PolarHBondContact O-N 2.98Å; V123-V126 PolarHBondContact O-N 3.39Å; V123-I127 HydrophobicContact CG1-CD1 3.9Å; V123-I127 VanDerWaalsContact O-CG1 3.28Å; V123-I127 WeakPolarHBondContact O-CG1 3.22Å; V123-I127 PolarHBondContact O-N 3.22Å; V123-M170 HydrophobicContact CB-CE 4.46Å; V123-M170 HydrophobicContact CB-SD 4.05Å; V123-M170 HydrophobicContact CG1-CE 4.06Å; V123-M170 HydrophobicContact CG1-SD 3.8Å; V123-M170 HydrophobicContact CG2-SD 4.43Å; V123-Y173 HydrophobicContact CG1-CD2 4.37Å; V123-Y173 HydrophobicContact CG1-CE2 4.35Å; V123-L177 HydrophobicContact CG1-CD1 4.02Å; V123-L177 HydrophobicContact CG1-CD2 4.43Å; V123-L177 HydrophobicContact CG1-CG 4.36Å; V123-L177 HydrophobicContact CG2-CD1 4.15Å
124N98.6Very high97.7Very high57 Ų5751.8 Ų51.831%0.30527%0.269SS..Hα-helixtrans-63.4-29.7177-81.8-56.2000113.2K120 R121 A122 K128K120-N124 WeakPolarHBondContact O-CB 3.48Å; K120-N124 PolarHBondContact O-N 3.43Å; K120-N124 VanDerWaalsContact O-N 3.17Å; K120-N124 PolarHBondContact O-ND2 2.8Å; R121-N124 PolarHBondContact O-N 2.9Å; A122-N124 VanDerWaalsContact C-N 3.34Å; A122-N124 PolarHBondContact O-N 2.98Å; N124-K128 WeakPolarHBondContact O-CD 3.41Å; N124-K128 VanDerWaalsContact O-CG 3.23Å; N124-K128 WeakPolarHBondContact O-CG 3.29Å; N124-K128 PolarHBondContact O-N 2.93Å
125L98.4Very high97.7Very high34 Ų3453.2 Ų53.218%0.17827%0.265CS..Hα-helixtrans-70.9-47.4175.9-168.159.5000110.4M63 F67 L103 R121 A122 V123 I127 K128 T129M63-L125 HydrophobicContact CE-CD2 3.54Å; F67-L125 HydrophobicContact CD1-CD2 4.39Å; F67-L125 HydrophobicContact CD2-CD2 3.99Å; F67-L125 HydrophobicContact CE1-CD1 4.03Å; F67-L125 HydrophobicContact CE1-CD2 3.9Å; F67-L125 HydrophobicContact CE1-CG 4.27Å; F67-L125 HydrophobicContact CE2-CD1 4.33Å; F67-L125 HydrophobicContact CE2-CD2 3.5Å; F67-L125 HydrophobicContact CE2-CG 3.76Å; F67-L125 HydrophobicContact CG-CD2 4.44Å; F67-L125 HydrophobicContact CZ-CD1 3.56Å; F67-L125 HydrophobicContact CZ-CD2 3.45Å; F67-L125 VanDerWaalsContact CZ-CD2 3.45Å; F67-L125 HydrophobicContact CZ-CG 3.51Å; L103-L125 HydrophobicContact CD1-CD2 4.26Å; L103-L125 HydrophobicContact CD2-CB 4.13Å; L103-L125 HydrophobicContact CD2-CD2 3.89Å; L103-L125 HydrophobicContact CD2-CG 3.87Å; R121-L125 PolarHBondContact O-N 2.91Å; A122-L125 WeakPolarHBondContact O-CA 3.48Å; A122-L125 WeakPolarHBondContact O-CB 3.4Å; A122-L125 PolarHBondContact O-N 3.34Å; V123-L125 PolarHBondContact O-N 2.98Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 2.67Å; L125-K128 PolarHBondContact O-N 3.31Å; L125-T129 HydrophobicContact CD1-CG2 3.94Å; L125-T129 PolarHBondContact O-N 2.86Å; L125-T129 PolarHBondContact O-OG1 2.89Å
126V98.7Very high97.6Very high0 Ų050.5 Ų50.50%025%0.25CC..Hα-helixtrans-53.1-49.8174.5170.30000111.1L103 I104 L107 A122 V123 K128 T129 V130 L151 L177 L180L103-V126 HydrophobicContact CD1-CG2 4.31Å; L103-V126 HydrophobicContact CD2-CG2 3.6Å; L103-V126 HydrophobicContact CG-CG2 3.6Å; I104-V126 HydrophobicContact CG1-CG1 4.48Å; I104-V126 HydrophobicContact CG1-CG2 4.13Å; L107-V126 HydrophobicContact CD1-CG2 4.24Å; L107-V126 HydrophobicContact CD2-CG2 4.46Å; A122-V126 PolarHBondContact O-N 3.36Å; V123-V126 PolarHBondContact O-N 3.39Å; V126-K128 PolarHBondContact O-N 3.44Å; V126-K128 VanDerWaalsContact O-N 3.16Å; V126-T129 PolarHBondContact O-N 3.39Å; V126-V130 HydrophobicContact CB-CG2 4.26Å; V126-V130 HydrophobicContact CG1-CB 4.14Å; V126-V130 HydrophobicContact CG1-CG2 3.92Å; V126-V130 HydrophobicContact CG2-CG2 4.36Å; V126-V130 WeakPolarHBondContact O-CB 3.37Å; V126-V130 PolarHBondContact O-N 2.8Å; V126-L151 HydrophobicContact CG1-CD2 3.89Å; V126-L177 HydrophobicContact CB-CD2 4.11Å; V126-L177 HydrophobicContact CG1-CD2 3.54Å; V126-L180 HydrophobicContact CG1-CD1 3.83Å
127I98.4Very high97.6Very high56 Ų5651.6 Ų51.629%0.28726%0.256SS..Hα-helixtrans-57.3-32.9178.8-66.5169.7000112.1V123 L125 Y173 E176 L177V123-I127 HydrophobicContact CG1-CD1 3.9Å; V123-I127 VanDerWaalsContact O-CG1 3.28Å; V123-I127 WeakPolarHBondContact O-CG1 3.22Å; V123-I127 PolarHBondContact O-N 3.22Å; L125-I127 VanDerWaalsContact C-N 3.32Å; L125-I127 PolarHBondContact O-N 2.67Å; I127-Y173 HydrophobicContact CD1-CD2 4.15Å; I127-Y173 HydrophobicContact CD1-CE2 4.16Å; I127-E176 HydrophobicContact CD1-CB 3.84Å; I127-E176 HydrophobicContact CD1-CG 4.17Å; I127-E176 HydrophobicContact CG1-CB 3.71Å; I127-E176 HydrophobicContact CG1-CG 4.36Å; I127-E176 HydrophobicContact CG2-CB 4.17Å; I127-E176 HydrophobicContact CG2-CG 4.08Å; I127-L177 HydrophobicContact CG1-CD2 4.09Å
128K97.5Very high97.6Very high163 Ų16345.3 Ų45.371%0.70922%0.222SC*.Hα-helixtrans-88.1-31.8-176.4-73.1171.9-173.5173.40113.8N124 L125 V126N124-K128 WeakPolarHBondContact O-CD 3.41Å; N124-K128 VanDerWaalsContact O-CG 3.23Å; N124-K128 WeakPolarHBondContact O-CG 3.29Å; N124-K128 PolarHBondContact O-N 2.93Å; L125-K128 PolarHBondContact O-N 3.31Å; V126-K128 PolarHBondContact O-N 3.44Å; V126-K128 VanDerWaalsContact O-N 3.16Å
129T96Very high97.5Very high63 Ų6345.1 Ų45.139%0.38722%0.221SC..Hα-helixtrans-116.9-22.2-165.462.70000114.6F67 L125 V126F67-T129 HydrophobicContact CZ-CG2 4.12Å; L125-T129 HydrophobicContact CD1-CG2 3.94Å; L125-T129 PolarHBondContact O-N 2.86Å; L125-T129 PolarHBondContact O-OG1 2.89Å; V126-T129 PolarHBondContact O-N 3.39Å
130V97.9Very high97.5Very high12 Ų1245.2 Ų45.27%0.07322%0.222CC..  trans-85.3134.1-175.7176.60000110.9Y99 I104 V126 F132Y99-V130 WeakPolarHBondContact O-CG2 3.27Å; I104-V130 HydrophobicContact CD1-CG1 3.91Å; I104-V130 HydrophobicContact CD1-CG2 4.06Å; I104-V130 HydrophobicContact CG1-CG2 4.35Å; V126-V130 HydrophobicContact CB-CG2 4.26Å; V126-V130 HydrophobicContact CG1-CB 4.14Å; V126-V130 HydrophobicContact CG1-CG2 3.92Å; V126-V130 HydrophobicContact CG2-CG2 4.36Å; V126-V130 WeakPolarHBondContact O-CB 3.37Å; V126-V130 PolarHBondContact O-N 2.8Å; V130-F132 HydrophobicContact CG1-CE1 3.95Å; V130-F132 HydrophobicContact CG1-CZ 3.87Å
131S97.2Very high97.5Very high51 Ų5143.5 Ų43.536%0.35721%0.214SC..  trans-150.6135.5173.2176.20000109.7E133 K134S131-E133 PolarHBondContact OG-N 3.32Å; S131-K134 VanDerWaalsContact O-CE 3.28Å; S131-K134 WeakPolarHBondContact O-CE 3.05Å; S131-K134 WeakPolarHBondContact O-CG 3.18Å
132F98.1Very high97.4Very high0 Ų039.2 Ų39.20%020%0.199CC..  trans-93.75176.9-53.4-57.9000113.2Y99 V130 K134 V147 L151 L180 D183 L184 R187 L206Y99-F132 HydrophobicContact CD1-CD1 4.21Å; Y99-F132 HydrophobicContact CD1-CE1 4.23Å; Y99-F132 HydrophobicContact CG-CD1 4.49Å; Y99-F132 HydrophobicContact CG-CE1 4.17Å; V130-F132 HydrophobicContact CG1-CE1 3.95Å; V130-F132 HydrophobicContact CG1-CZ 3.87Å; F132-K134 PolarHBondContact O-N 2.89Å; F132-V147 HydrophobicContact CE1-CG1 3.64Å; F132-V147 HydrophobicContact CZ-CG1 3.59Å; F132-L151 HydrophobicContact CE2-CD1 4.15Å; F132-L151 HydrophobicContact CZ-CD1 3.88Å; F132-L180 HydrophobicContact CE2-CB 4.02Å; F132-L180 HydrophobicContact CE2-CD2 4.19Å; F132-L180 VanDerWaalsContact CE2-O 3.3Å; F132-L180 WeakPolarHBondContact CE2-O 3.41Å; F132-D183 HydrophobicContact CD2-CB 4.46Å; F132-L184 HydrophobicContact CD1-CD1 4.2Å; F132-L184 HydrophobicContact CD2-CB 3.77Å; F132-L184 HydrophobicContact CE1-CD2 4.43Å; F132-L184 HydrophobicContact CE2-CB 3.76Å; F132-L184 HydrophobicContact CG-CB 4.27Å; F132-L184 HydrophobicContact CG-CD1 4.22Å; F132-L184 HydrophobicContact CZ-CB 4.26Å; F132-L184 HydrophobicContact CZ-CD2 4.28Å; F132-R187 VanDerWaalsContact CB-CD 3.5Å; F132-R187 WeakPolarHBondContact O-CD 3.35Å; F132-R187 PolarHBondContact O-NE 3.37Å; F132-R187 PolarHBondContact O-NH1 3.32Å; F132-L206 WeakPolarHBondContact O-CB 3.31Å
133E96.5Very high97.4Very high125 Ų12539.1 Ų39.158%0.58420%0.199SC*.  trans-7866.6171.4-161.8-176.8170.100110.9S131S131-E133 PolarHBondContact OG-N 3.32Å
134K94.6Very high97.4Very high68 Ų6839.1 Ų39.130%0.29620%0.199SC..  trans-122140.6-174.1-59.9-73.9-175.5154.20110.2D98 S131 F132 T136 L206 Q207D98-K134 VanDerWaalsContact O-CE 3.27Å; D98-K134 WeakPolarHBondContact O-CE 3.46Å; D98-K134 PolarHBondContact O-NZ 3.17Å; D98-K134 VanDerWaalsContact O-NZ 3.14Å; S131-K134 VanDerWaalsContact O-CE 3.28Å; S131-K134 WeakPolarHBondContact O-CE 3.05Å; S131-K134 WeakPolarHBondContact O-CG 3.18Å; F132-K134 PolarHBondContact O-N 2.89Å; K134-T136 HydrophobicContact CB-CG2 4.41Å; K134-T136 WeakPolarHBondContact CB-OG1 3.42Å; K134-T136 PolarHBondContact O-N 2.89Å; K134-T136 VanDerWaalsContact O-N 3.1Å; K134-L206 HydrophobicContact CB-CD1 4.5Å; K134-L206 WeakPolarHBondContact O-CB 3.39Å; K134-Q207 WeakPolarHBondContact O-CB 3.23Å; K134-Q207 PolarHBondContact O-N 3.22Å; K134-Q207 VanDerWaalsContact O-N 3.16Å
135N95.8Very high97.4Very high81 Ų8136.7 Ų36.743%0.43319%0.186SC..SBendtrans-86.455.4171.4-179.539.5000110.3N205 K208N135-N205 PolarHBondContact OD1-ND2 2.82Å; N135-K208 VanDerWaalsContact CG-NZ 3.34Å; N135-K208 PolarHBondContact ND2-NZ 3.36Å; N135-K208 VanDerWaalsContact OD1-CE 3.22Å; N135-K208 WeakPolarHBondContact OD1-CE 3.04Å; N135-K208 PolarHBondContact OD1-NZ 2.83Å
136T95.7Very high97.4Very high2 Ų235.9 Ų35.91%0.01218%0.18CC..  trans-119.7147.1178.148.10000109H82 G97 K134 N205 L206H82-T136 HydrophobicContact CB-CG2 3.96Å; G97-T136 PolarHBondContact O-OG1 3.09Å; K134-T136 HydrophobicContact CB-CG2 4.41Å; K134-T136 WeakPolarHBondContact CB-OG1 3.42Å; K134-T136 PolarHBondContact O-N 2.89Å; K134-T136 VanDerWaalsContact O-N 3.1Å; T136-N205 VanDerWaalsContact O-CA 3.31Å; T136-N205 WeakPolarHBondContact O-CA 3.39Å; T136-N205 PolarHBondContact O-ND2 2.83Å; T136-L206 PolarHBondContact O-N 2.74Å
137T96.8Very high97.4Very high33 Ų3335.9 Ų35.920%0.20218%0.18CC..EExtended strand (participates in β ladder)trans-104.7122.1178.5-62.50000108.1R203 I204 N205T137-R203 HydrophobicContact CG2-CB 3.99Å; T137-I204 WeakPolarHBondContact CA-O 3.39Å; T137-N205 PolarHBondContact OG1-ND2 3.4Å
138V97.3Very high97.4Very high0 Ų033.2 Ų33.20%017%0.167CC..EExtended strand (participates in β ladder)trans-122.2161.6-177.1-590000110.5Y99 R203 I204 L206Y99-V138 HydrophobicContact CE1-CG1 4.15Å; V138-R203 VanDerWaalsContact O-CA 3.28Å; V138-R203 WeakPolarHBondContact O-CA 3.22Å; V138-I204 HydrophobicContact CG2-CG2 4.48Å; V138-I204 PolarHBondContact N-O 3.5Å; V138-I204 PolarHBondContact O-N 2.02Å; V138-L206 HydrophobicContact CG1-CD1 4.29Å; V138-L206 HydrophobicContact CG2-CD1 4.39Å; V138-L206 HydrophobicContact CG2-CD2 3.76Å; V138-L206 HydrophobicContact CG2-CG 3.98Å
139Q97.5Very high97.4Very high21 Ų2125.8 Ų25.810%0.09814%0.137CC..EExtended strand (participates in β ladder)trans-80.8134.4171.1-168177.94.600110.1D94 F141 E142 S143 T202D94-Q139 HydrophobicContact CB-CB 3.78Å; D94-Q139 WeakPolarHBondContact O-CB 3.22Å; D94-Q139 PolarHBondContact O-N 3.15Å; Q139-F141 VanDerWaalsContact C-N 3.26Å; Q139-F141 HydrophobicContact CG-CB 4.18Å; Q139-F141 PolarHBondContact O-N 3.05Å; Q139-E142 HydrophobicContact CB-CB 4.22Å; Q139-E142 HydrophobicContact CB-CG 3.97Å; Q139-E142 HydrophobicContact CG-CG 4.35Å; Q139-E142 PolarHBondContact O-N 3.45Å; Q139-E142 VanDerWaalsContact OE1-CG 3.3Å; Q139-S143 WeakPolarHBondContact O-CB 3.48Å; Q139-S143 PolarHBondContact O-N 2.91Å; Q139-S143 VanDerWaalsContact O-N 3.08Å; Q139-S143 PolarHBondContact O-OG 3.47Å; Q139-T202 WeakPolarHBondContact CA-O 3.19Å; Q139-T202 HydrophobicContact CG-CG2 3.99Å; Q139-T202 VanDerWaalsContact CG-O 3.29Å; Q139-T202 WeakPolarHBondContact CG-O 3.2Å
140V98.1Very high97.6Very high2 Ų223.1 Ų23.11%0.01212%0.121CC..Hα-helixtrans-60-40.6-179.3175.60000111.1S143 T144 A191 Y201 T202 I204 L226V140-S143 PolarHBondContact O-OG 2.98Å; V140-T144 VanDerWaalsContact O-CB 3.31Å; V140-T144 WeakPolarHBondContact O-CB 3.49Å; V140-T144 PolarHBondContact O-N 2.94Å; V140-T144 VanDerWaalsContact O-N 3.11Å; V140-T144 PolarHBondContact O-OG1 2.75Å; V140-A191 HydrophobicContact CG2-CB 3.65Å; V140-Y201 WeakPolarHBondContact CG2-O 3.37Å; V140-T202 PolarHBondContact N-O 2.84Å; V140-I204 HydrophobicContact CG2-CB 4.4Å; V140-I204 HydrophobicContact CG2-CG2 3.78Å; V140-L226 HydrophobicContact CG1-CD1 4.1Å; V140-L226 HydrophobicContact CG1-CD2 4.31Å
141F98.1Very high97.6Very high25 Ų2522.5 Ų22.511%0.1112%0.118CC..Hα-helixtrans-60.9-59.1177173-115.6000112.6Q139 S143 T144 I145Q139-F141 VanDerWaalsContact C-N 3.26Å; Q139-F141 HydrophobicContact CG-CB 4.18Å; Q139-F141 PolarHBondContact O-N 3.05Å; F141-S143 PolarHBondContact O-N 3.18Å; F141-T144 WeakPolarHBondContact O-CA 3.49Å; F141-T144 WeakPolarHBondContact O-CB 3.47Å; F141-T144 PolarHBondContact O-N 2.99Å; F141-I145 HydrophobicContact CD1-CD1 4.49Å; F141-I145 HydrophobicContact CD2-CG2 4.03Å; F141-I145 HydrophobicContact CE1-CD1 3.86Å; F141-I145 HydrophobicContact CE2-CD1 3.95Å; F141-I145 HydrophobicContact CE2-CG2 3.76Å; F141-I145 HydrophobicContact CZ-CD1 3.57Å; F141-I145 HydrophobicContact CZ-CG2 4.45Å; F141-I145 PolarHBondContact O-N 3.25Å
142E98Very high97.7Very high29 Ų2920.3 Ų20.314%0.13610%0.102CC..Hα-helixtrans-60.6-44.6-175.9-60.9-67.9166.600111.8V95 Q139 T144 R146V95-E142 HydrophobicContact CG2-CB 3.98Å; V95-E142 HydrophobicContact CG2-CG 3.63Å; Q139-E142 HydrophobicContact CB-CB 4.22Å; Q139-E142 HydrophobicContact CB-CG 3.97Å; Q139-E142 HydrophobicContact CG-CG 4.35Å; Q139-E142 PolarHBondContact O-N 3.45Å; Q139-E142 VanDerWaalsContact OE1-CG 3.3Å; E142-T144 PolarHBondContact O-N 3.46Å; E142-R146 WeakPolarHBondContact O-CB 3.44Å; E142-R146 VanDerWaalsContact O-CG 3.28Å; E142-R146 WeakPolarHBondContact O-CG 3.32Å; E142-R146 PolarHBondContact O-N 3.38Å; E142-R146 VanDerWaalsContact O-N 3.08Å; E142-R146 IonicContact OE2-CZ 2.93Å; E142-R146 VanDerWaalsContact OE2-CZ 3.29Å; E142-R146 IonicContact OE2-NE 2.8Å; E142-R146 PolarHBondContact OE2-NE 2.73Å; E142-R146 IonicContact OE2-NH2 3.56Å; E142-R146 PolarHBondContact OE2-NH2 3.29Å
143S97.8Very high97.7Very high0 Ų021.4 Ų21.40%011%0.111CC..Iπ-helixtrans-66.4-26.2176.256.70000113.2Q139 V140 F141 V147 M148Q139-S143 WeakPolarHBondContact O-CB 3.48Å; Q139-S143 PolarHBondContact O-N 2.91Å; Q139-S143 VanDerWaalsContact O-N 3.08Å; Q139-S143 PolarHBondContact O-OG 3.47Å; V140-S143 PolarHBondContact O-OG 2.98Å; F141-S143 PolarHBondContact O-N 3.18Å; S143-V147 WeakPolarHBondContact O-CB 3.33Å; S143-V147 PolarHBondContact O-N 2.78Å; S143-M148 PolarHBondContact O-N 2.84Å; S143-M148 VanDerWaalsContact O-N 3.14Å
144T98.7Very high97.8Very high0 Ų015.5 Ų15.50%08%0.084CC..Iπ-helixtrans-74.6-57.5174.7-60.20000110.6V140 F141 E142 R146 M148 G149 L226 E229 F230V140-T144 VanDerWaalsContact O-CB 3.31Å; V140-T144 WeakPolarHBondContact O-CB 3.49Å; V140-T144 PolarHBondContact O-N 2.94Å; V140-T144 VanDerWaalsContact O-N 3.11Å; V140-T144 PolarHBondContact O-OG1 2.75Å; F141-T144 WeakPolarHBondContact O-CA 3.49Å; F141-T144 WeakPolarHBondContact O-CB 3.47Å; F141-T144 PolarHBondContact O-N 2.99Å; E142-T144 PolarHBondContact O-N 3.46Å; T144-R146 PolarHBondContact O-N 2.98Å; T144-M148 VanDerWaalsContact O-CB 3.23Å; T144-M148 WeakPolarHBondContact O-CB 3.22Å; T144-M148 PolarHBondContact O-N 3.05Å; T144-G149 PolarHBondContact O-N 2.65Å; T144-L226 HydrophobicContact CG2-CB 4.38Å; T144-L226 HydrophobicContact CG2-CD2 3.86Å; T144-E229 HydrophobicContact CG2-CB 3.77Å; T144-E229 HydrophobicContact CG2-CG 4Å; T144-F230 HydrophobicContact CG2-CD1 3.89Å; T144-F230 HydrophobicContact CG2-CE1 3.74Å
145I98.3Very high98Very high6 Ų613.2 Ų13.23%0.0317%0.074CC..Iπ-helixtrans-67.1-39.9-171.868.3174.9000112.2F141 G149 Y292 T497 E498F141-I145 HydrophobicContact CD1-CD1 4.49Å; F141-I145 HydrophobicContact CD2-CG2 4.03Å; F141-I145 HydrophobicContact CE1-CD1 3.86Å; F141-I145 HydrophobicContact CE2-CD1 3.95Å; F141-I145 HydrophobicContact CE2-CG2 3.76Å; F141-I145 HydrophobicContact CZ-CD1 3.57Å; F141-I145 HydrophobicContact CZ-CG2 4.45Å; F141-I145 PolarHBondContact O-N 3.25Å; I145-G149 WeakPolarHBondContact O-CA 3.33Å; I145-Y292 WeakPolarHBondContact CG2-OH 3.5Å; I145-T497 HydrophobicContact CB-CG2 4.18Å; I145-T497 HydrophobicContact CD1-CG2 3.99Å; I145-T497 HydrophobicContact CG2-CG2 3.88Å; I145-E498 HydrophobicContact CB-CB 4.28Å; I145-E498 HydrophobicContact CD1-CB 4.48Å; I145-E498 HydrophobicContact CG1-CB 4.33Å
146R98.3Very high98Very high16 Ų1613.1 Ų13.16%0.067%0.072CC..Iπ-helixtrans-85.9-55.6-175.2-48.8-174.3-174.5-111.8-2.1112.6L101 E142 T144 G150 S465 F466 E498L101-R146 HydrophobicContact CD1-CB 3.7Å; L101-R146 HydrophobicContact CD1-CG 4.49Å; E142-R146 WeakPolarHBondContact O-CB 3.44Å; E142-R146 VanDerWaalsContact O-CG 3.28Å; E142-R146 WeakPolarHBondContact O-CG 3.32Å; E142-R146 PolarHBondContact O-N 3.38Å; E142-R146 VanDerWaalsContact O-N 3.08Å; E142-R146 IonicContact OE2-CZ 2.93Å; E142-R146 VanDerWaalsContact OE2-CZ 3.29Å; E142-R146 IonicContact OE2-NE 2.8Å; E142-R146 PolarHBondContact OE2-NE 2.73Å; E142-R146 IonicContact OE2-NH2 3.56Å; E142-R146 PolarHBondContact OE2-NH2 3.29Å; T144-R146 PolarHBondContact O-N 2.98Å; R146-G150 PolarHBondContact O-N 3.3Å; R146-S465 PolarHBondContact NH1-OG 3.45Å; R146-F466 VanDerWaalsContact NH1-CD1 3.25Å; R146-E498 HydrophobicContact CB-CG 4.49Å; R146-E498 HydrophobicContact CG-CG 4.04Å; R146-E498 WeakPolarHBondContact CG-OE1 3.32Å; R146-E498 IonicContact CZ-OE1 3.35Å; R146-E498 IonicContact CZ-OE2 2.67Å; R146-E498 IonicContact NE-OE1 2.9Å; R146-E498 IonicContact NE-OE2 2.74Å; R146-E498 IonicContact NH1-OE1 2.93Å; R146-E498 PolarHBondContact NH1-OE1 3.14Å; R146-E498 IonicContact NH1-OE2 3.92Å
147V98.6Very high98.1Very high0 Ų014 Ų140%08%0.077CC..Iπ-helixtrans-81.6-53-170.7-174.80000110.8Y99 L101 I104 F132 S143 L151 L184Y99-V147 HydrophobicContact CD2-CG2 3.89Å; Y99-V147 HydrophobicContact CE1-CG2 4.2Å; Y99-V147 HydrophobicContact CE2-CG2 3.32Å; Y99-V147 VanDerWaalsContact CZ-CG2 3.5Å; L101-V147 HydrophobicContact CD1-CG2 4.01Å; I104-V147 HydrophobicContact CD1-CG1 3.91Å; I104-V147 HydrophobicContact CG2-CG1 4.3Å; F132-V147 HydrophobicContact CE1-CG1 3.64Å; F132-V147 HydrophobicContact CZ-CG1 3.59Å; S143-V147 WeakPolarHBondContact O-CB 3.33Å; S143-V147 PolarHBondContact O-N 2.78Å; V147-L151 HydrophobicContact CG1-CD1 4.13Å; V147-L151 WeakPolarHBondContact O-CB 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.48Å; V147-L151 PolarHBondContact O-N 3.37Å; V147-L184 HydrophobicContact CB-CD2 3.73Å; V147-L184 HydrophobicContact CG1-CD2 3.57Å
148M98.8Very high98.2Very high0 Ų012.5 Ų12.50%07%0.067CC..Iπ-helixtrans-66.7-44.5178.3-165.8-175.2-57.400110.8S143 T144 L151 L152 A181 L184 A185 L188 E229 F230 L233S143-M148 PolarHBondContact O-N 2.84Å; S143-M148 VanDerWaalsContact O-N 3.14Å; T144-M148 VanDerWaalsContact O-CB 3.23Å; T144-M148 WeakPolarHBondContact O-CB 3.22Å; T144-M148 PolarHBondContact O-N 3.05Å; M148-L151 PolarHBondContact O-N 3Å; M148-L152 HydrophobicContact CG-CD1 3.82Å; M148-L152 HydrophobicContact CG-CG 4.24Å; M148-L152 WeakPolarHBondContact O-CB 3.24Å; M148-L152 WeakPolarHBondContact O-CG 3.46Å; M148-L152 PolarHBondContact O-N 2.75Å; M148-L152 HydrophobicContact SD-CD1 4.41Å; M148-A181 HydrophobicContact CG-CB 4.19Å; M148-L184 HydrophobicContact CB-CD2 4.26Å; M148-A185 HydrophobicContact CE-CB 3.54Å; M148-A185 HydrophobicContact SD-CB 4.37Å; M148-L188 HydrophobicContact CE-CD1 4.12Å; M148-E229 HydrophobicContact CB-CB 4.5Å; M148-E229 HydrophobicContact CG-CB 4.28Å; M148-E229 HydrophobicContact SD-CB 3.96Å; M148-F230 HydrophobicContact CE-CD1 4.13Å; M148-F230 HydrophobicContact CE-CE1 3.59Å; M148-F230 HydrophobicContact CE-CZ 4.35Å; M148-F230 HydrophobicContact SD-CD1 3.86Å; M148-F230 HydrophobicContact SD-CE1 3.95Å; M148-L233 HydrophobicContact SD-CD2 4.08Å
149G98.5Very high98.2Very high8 Ų814.6 Ų14.68%0.0828%0.084CC..Hα-helixtrans-53.9-55.7174.500000112.6T144 I145 L151 L152 A153T144-G149 PolarHBondContact O-N 2.65Å; I145-G149 WeakPolarHBondContact O-CA 3.33Å; G149-L151 PolarHBondContact O-N 2.82Å; G149-L152 PolarHBondContact O-N 2.78Å; G149-A153 WeakPolarHBondContact O-CB 3.2Å; G149-A153 PolarHBondContact O-N 2.88Å
150G98.4Very high98Very high6 Ų614.5 Ų14.56%0.0628%0.084CC..Hα-helixtrans-59.1-42.9178.700000113.6R146 A154R146-G150 PolarHBondContact O-N 3.3Å; G150-A154 VanDerWaalsContact O-CB 3.28Å; G150-A154 WeakPolarHBondContact O-CB 3.23Å; G150-A154 PolarHBondContact O-N 3.14Å
151L98.9Very high97.9Very high0 Ų021.9 Ų21.90%012%0.116CC..Hα-helixtrans-64-41.8176.3-72.5174000112.7I104 V126 F132 V147 M148 G149 H155 L177 L180 A181I104-L151 HydrophobicContact CG2-CD2 4.25Å; I104-L151 HydrophobicContact CG2-CG 3.99Å; V126-L151 HydrophobicContact CG1-CD2 3.89Å; F132-L151 HydrophobicContact CE2-CD1 4.15Å; F132-L151 HydrophobicContact CZ-CD1 3.88Å; V147-L151 HydrophobicContact CG1-CD1 4.13Å; V147-L151 WeakPolarHBondContact O-CB 3.3Å; V147-L151 WeakPolarHBondContact O-CG 3.48Å; V147-L151 PolarHBondContact O-N 3.37Å; M148-L151 PolarHBondContact O-N 3Å; G149-L151 PolarHBondContact O-N 2.82Å; L151-H155 WeakPolarHBondContact O-CB 3.38Å; L151-H155 PolarHBondContact O-N 2.77Å; L151-L177 HydrophobicContact CD2-CB 4.14Å; L151-L177 HydrophobicContact CD2-CD2 3.9Å; L151-L180 HydrophobicContact CD1-CB 3.86Å; L151-L180 HydrophobicContact CD2-CB 4.41Å; L151-L180 HydrophobicContact CD2-CD1 4.4Å; L151-A181 HydrophobicContact CB-CB 4.1Å; L151-A181 HydrophobicContact CD1-CB 4.33Å
152L98.8Very high97.6Very high4 Ų425.5 Ų25.52%0.02114%0.141CC..Hα-helixtrans-69.2-44.2179.7-70.6173.1000111.4M148 G149 H155 M156 L178 A181 E229 V232 L233 L236M148-L152 HydrophobicContact CG-CD1 3.82Å; M148-L152 HydrophobicContact CG-CG 4.24Å; M148-L152 WeakPolarHBondContact O-CB 3.24Å; M148-L152 WeakPolarHBondContact O-CG 3.46Å; M148-L152 PolarHBondContact O-N 2.75Å; M148-L152 HydrophobicContact SD-CD1 4.41Å; G149-L152 PolarHBondContact O-N 2.78Å; L152-H155 PolarHBondContact O-N 3.27Å; L152-M156 WeakPolarHBondContact O-CG 3.37Å; L152-M156 PolarHBondContact O-N 3.39Å; L152-L178 HydrophobicContact CD2-CD1 3.99Å; L152-A181 HydrophobicContact CD2-CB 3.92Å; L152-A181 HydrophobicContact CG-CB 4.15Å; L152-E229 HydrophobicContact CD1-CB 4.09Å; L152-E229 WeakPolarHBondContact CD1-O 3.42Å; L152-V232 HydrophobicContact CB-CG1 4.37Å; L152-V232 HydrophobicContact CD1-CB 4.3Å; L152-V232 HydrophobicContact CD1-CG1 4.2Å; L152-V232 HydrophobicContact CD2-CG1 4.45Å; L152-L233 HydrophobicContact CD1-CB 4.27Å; L152-L233 HydrophobicContact CD2-CB 4.37Å; L152-L233 HydrophobicContact CD2-CD1 4.07Å; L152-L236 HydrophobicContact CD2-CD1 3.87Å
153A98.1Very high97.1Very high24 Ų2427.4 Ų27.420%0.19815%0.152CC..Hα-helixtrans-58.7-52175.700000110.8D108 G149 H155 M156 I157D108-A153 HydrophobicContact CB-CB 4.2Å; G149-A153 WeakPolarHBondContact O-CB 3.2Å; G149-A153 PolarHBondContact O-N 2.88Å; A153-H155 VanDerWaalsContact C-N 3.35Å; A153-H155 PolarHBondContact O-N 3.17Å; A153-M156 PolarHBondContact O-N 3.42Å; A153-I157 WeakPolarHBondContact O-CD1 3.46Å; A153-I157 VanDerWaalsContact O-CG1 3.32Å; A153-I157 WeakPolarHBondContact O-CG1 3.46Å; A153-I157 PolarHBondContact O-N 2.94Å; A153-I157 VanDerWaalsContact O-N 3.12Å
154A98.4Very high96.6Very high0 Ų032.2 Ų32.20%017%0.17CC..Hα-helixtrans-63.9-37.1178.500000112.9L107 F119 G150 I157 A158 L177L107-A154 HydrophobicContact CB-CB 3.8Å; L107-A154 HydrophobicContact CD1-CB 3.55Å; L107-A154 HydrophobicContact CG-CB 4.3Å; F119-A154 HydrophobicContact CE2-CB 4.15Å; F119-A154 HydrophobicContact CZ-CB 4.39Å; G150-A154 VanDerWaalsContact O-CB 3.28Å; G150-A154 WeakPolarHBondContact O-CB 3.23Å; G150-A154 PolarHBondContact O-N 3.14Å; A154-I157 PolarHBondContact O-N 3.46Å; A154-A158 VanDerWaalsContact O-CB 3.29Å; A154-A158 WeakPolarHBondContact O-CB 3.49Å; A154-A158 PolarHBondContact O-N 2.77Å; A154-L177 HydrophobicContact CB-CD1 3.64Å
155H98.6Very high96.1Very high20 Ų2034 Ų349%0.09318%0.178CC..Hα-helixtrans-58.3-51.7173.9171.168.4000111.5L151 L152 A153 I157 A158 A159 Y173 L177L151-H155 WeakPolarHBondContact O-CB 3.38Å; L151-H155 PolarHBondContact O-N 2.77Å; L152-H155 PolarHBondContact O-N 3.27Å; A153-H155 VanDerWaalsContact C-N 3.35Å; A153-H155 PolarHBondContact O-N 3.17Å; H155-I157 PolarHBondContact O-N 2.67Å; H155-A158 PolarHBondContact O-N 3.46Å; H155-A159 VanDerWaalsContact O-CB 3.27Å; H155-A159 WeakPolarHBondContact O-CB 3.01Å; H155-A159 PolarHBondContact O-N 3.35Å; H155-Y173 AromaticContact ND1-CE1 3.49Å; H155-Y173 WeakPolarHBondContact ND1-CE1 3.48Å; H155-Y173 AromaticContact ND1-CZ 3.61Å; H155-Y173 PolarHBondContact ND1-OH 3.27Å; H155-L177 HydrophobicContact CB-CB 4.15Å
156M97.5Very high95.7Very high80 Ų8035 Ų3539%0.39419%0.189SC..Hα-helixtrans-60.7-36.2-178.8-71.4-174.3-68.700111.4L152 A153 D160 V232 L236L152-M156 WeakPolarHBondContact O-CG 3.37Å; L152-M156 PolarHBondContact O-N 3.39Å; A153-M156 PolarHBondContact O-N 3.42Å; M156-D160 WeakPolarHBondContact O-CB 3.24Å; M156-D160 PolarHBondContact O-N 2.97Å; M156-V232 HydrophobicContact CE-CG1 4.15Å; M156-V232 HydrophobicContact SD-CG1 4.08Å; M156-L236 HydrophobicContact CG-CD1 4.23Å; M156-L236 HydrophobicContact CG-CD2 4.48Å
157I97.1Very high95.6Very high21 Ų2138.2 Ų38.211%0.10821%0.212CC..Hα-helixtrans-73.9-48.6178.6-64.1163.7000111.5D108 V111 F119 A153 A154 H155 A159 D160 F165 F168D108-I157 HydrophobicContact CB-CD1 4.35Å; V111-I157 HydrophobicContact CB-CD1 4.33Å; V111-I157 HydrophobicContact CG1-CD1 4.26Å; V111-I157 HydrophobicContact CG1-CG2 4.3Å; V111-I157 HydrophobicContact CG2-CD1 3.93Å; V111-I157 HydrophobicContact CG2-CG2 3.89Å; F119-I157 HydrophobicContact CE1-CG2 4.22Å; F119-I157 HydrophobicContact CZ-CB 4.22Å; F119-I157 HydrophobicContact CZ-CG2 3.96Å; A153-I157 WeakPolarHBondContact O-CD1 3.46Å; A153-I157 VanDerWaalsContact O-CG1 3.32Å; A153-I157 WeakPolarHBondContact O-CG1 3.46Å; A153-I157 PolarHBondContact O-N 2.94Å; A153-I157 VanDerWaalsContact O-N 3.12Å; A154-I157 PolarHBondContact O-N 3.46Å; H155-I157 PolarHBondContact O-N 2.67Å; I157-A159 PolarHBondContact O-N 2.9Å; I157-D160 PolarHBondContact O-N 3.08Å; I157-D160 VanDerWaalsContact O-N 3.13Å; I157-F165 HydrophobicContact CG1-CD2 4.3Å; I157-F168 HydrophobicContact CG2-CB 3.54Å; I157-F168 HydrophobicContact CG2-CG 4.17Å
158A97.9Very high95.5Very high0 Ų038.5 Ų38.50%021%0.213CC..Hα-helixtrans-63.3-30.7-179.500000112.6F119 A154 H155 Y169 M170 Y173F119-A158 HydrophobicContact CE1-CB 4.11Å; F119-A158 HydrophobicContact CZ-CB 4.18Å; A154-A158 VanDerWaalsContact O-CB 3.29Å; A154-A158 WeakPolarHBondContact O-CB 3.49Å; A154-A158 PolarHBondContact O-N 2.77Å; H155-A158 PolarHBondContact O-N 3.46Å; A158-Y169 WeakPolarHBondContact O-CD2 3.41Å; A158-M170 HydrophobicContact CB-SD 4.15Å; A158-M170 PolarHBondContact O-N 3.25Å; A158-Y173 HydrophobicContact CB-CD1 3.7Å; A158-Y173 HydrophobicContact CB-CE1 3.8Å; A158-Y173 HydrophobicContact CB-CG 4.14Å
159A97.3Very high95.4Very high44 Ų4441.7 Ų41.736%0.36423%0.226SC..THydrogen-bonded Turntrans-85.1-10.1177.600000114.3H155 I157 K161 Y173H155-A159 VanDerWaalsContact O-CB 3.27Å; H155-A159 WeakPolarHBondContact O-CB 3.01Å; H155-A159 PolarHBondContact O-N 3.35Å; I157-A159 PolarHBondContact O-N 2.9Å; A159-K161 PolarHBondContact O-N 3.13Å; A159-K161 VanDerWaalsContact O-N 3.14Å; A159-Y173 HydrophobicContact CB-CD1 4.44Å; A159-Y173 HydrophobicContact CB-CE1 4.33Å
160D95.1Very high95.4Very high19 Ų1941.8 Ų41.810%0.10222%0.224CC..  trans-80.797.3-171.1-175.29.1000113.7M156 I157 T162 N163 R164M156-D160 WeakPolarHBondContact O-CB 3.24Å; M156-D160 PolarHBondContact O-N 2.97Å; I157-D160 PolarHBondContact O-N 3.08Å; I157-D160 VanDerWaalsContact O-N 3.13Å; D160-T162 PolarHBondContact O-N 2.8Å; D160-T162 VanDerWaalsContact OD1-CB 3.3Å; D160-T162 WeakPolarHBondContact OD1-CB 3.28Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.4Å; D160-T162 PolarHBondContact OD1-N 2.74Å; D160-T162 PolarHBondContact OD1-OG1 2.67Å; D160-T162 PolarHBondContact OD2-OG1 3.16Å; D160-N163 PolarHBondContact O-N 2.74Å; D160-R164 WeakPolarHBondContact OD2-CG 3.44Å; D160-R164 IonicContact OD2-CZ 2.68Å; D160-R164 IonicContact OD2-NE 3.37Å; D160-R164 PolarHBondContact OD2-NE 3.36Å; D160-R164 IonicContact OD2-NH2 2.59Å; D160-R164 PolarHBondContact OD2-NH2 3.21Å
161K95.1Very high95.2Very high157 Ų15746.2 Ų46.268%0.68325%0.254SS*.THydrogen-bonded Turntrans-64.1-17.5176.3-65.1-179.9-177178.90114.5A159 N163 Y169A159-K161 PolarHBondContact O-N 3.13Å; A159-K161 VanDerWaalsContact O-N 3.14Å; K161-N163 PolarHBondContact O-N 3.16Å; K161-Y169 WeakPolarHBondContact CE-OH 3.15Å; K161-Y169 HydrophobicContact CG-CD2 4Å; K161-Y169 HydrophobicContact CG-CE1 4.35Å; K161-Y169 HydrophobicContact CG-CE2 3.51Å
162T91.9Very high95.1Very high102 Ų10252.1 Ų52.163%0.62629%0.286SS*.THydrogen-bonded Turntrans-73.8-18.5179.372.60000112D160 R164D160-T162 PolarHBondContact O-N 2.8Å; D160-T162 VanDerWaalsContact OD1-CB 3.3Å; D160-T162 WeakPolarHBondContact OD1-CB 3.28Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.4Å; D160-T162 PolarHBondContact OD1-N 2.74Å; D160-T162 PolarHBondContact OD1-OG1 2.67Å; D160-T162 PolarHBondContact OD2-OG1 3.16Å; T162-R164 PolarHBondContact O-N 3.32Å
163N86.4Confident95Very high69 Ų6953.2 Ų53.237%0.36929%0.29SS..  trans53.236.8-175.8-69.7-62.5000112.8D160 K161 F165 G166 Y169D160-N163 PolarHBondContact O-N 2.74Å; K161-N163 PolarHBondContact O-N 3.16Å; N163-F165 PolarHBondContact O-N 2.57Å; N163-F165 VanDerWaalsContact O-N 3.09Å; N163-G166 WeakPolarHBondContact CA-O 3.39Å; N163-G166 VanDerWaalsContact CB-O 3.28Å; N163-G166 WeakPolarHBondContact CB-O 3.28Å; N163-G166 PolarHBondContact O-N 3Å; N163-G166 PolarHBondContact OD1-O 3.08Å; N163-G166 VanDerWaalsContact OD1-O 3.13Å; N163-Y169 WeakPolarHBondContact OD1-CB 3.48Å; N163-Y169 PolarHBondContact OD1-N 2.98Å
164R87.8Confident95Very high100 Ų10055.1 Ų55.138%0.37731%0.312SS..THydrogen-bonded Turntrans-61-23.5-17481.9-177100.81607.3114.2D160 T162 Q489D160-R164 WeakPolarHBondContact OD2-CG 3.44Å; D160-R164 IonicContact OD2-CZ 2.68Å; D160-R164 IonicContact OD2-NE 3.37Å; D160-R164 PolarHBondContact OD2-NE 3.36Å; D160-R164 IonicContact OD2-NH2 2.59Å; D160-R164 PolarHBondContact OD2-NH2 3.21Å; T162-R164 PolarHBondContact O-N 3.32Å; R164-Q489 HydrophobicContact CB-CG 4.49Å; R164-Q489 HydrophobicContact CG-CG 4.4Å
165F88.4Confident94.9Very high39 Ų3955.7 Ų55.717%0.17132%0.317CS..THydrogen-bonded Turntrans-102.9-3.1177.2-57.8-60.2000113.5V111 I157 N163 F168 I485 Q489 V493V111-F165 HydrophobicContact CG1-CB 3.91Å; I157-F165 HydrophobicContact CG1-CD2 4.3Å; N163-F165 PolarHBondContact O-N 2.57Å; N163-F165 VanDerWaalsContact O-N 3.09Å; F165-F168 HydrophobicContact CB-CD2 4.34Å; F165-F168 VanDerWaalsContact O-CE2 3.26Å; F165-F168 WeakPolarHBondContact O-CE2 3.39Å; F165-I485 HydrophobicContact CD1-CG1 4.04Å; F165-I485 HydrophobicContact CE1-CG1 3.97Å; F165-Q489 HydrophobicContact CD1-CB 4.43Å; F165-Q489 HydrophobicContact CD1-CG 4.13Å; F165-Q489 HydrophobicContact CE1-CB 3.72Å; F165-Q489 HydrophobicContact CE1-CG 3.81Å; F165-V493 HydrophobicContact CE1-CG2 3.64Å; F165-V493 HydrophobicContact CZ-CG2 3.63Å
166G90.1Very high94.9Very high25 Ų2557.9 Ų57.926%0.25833%0.328SS..SBendtrans122.8-170.5-172.100000112.6N163 F168N163-G166 WeakPolarHBondContact CA-O 3.39Å; N163-G166 VanDerWaalsContact CB-O 3.28Å; N163-G166 WeakPolarHBondContact CB-O 3.28Å; N163-G166 PolarHBondContact O-N 3Å; N163-G166 PolarHBondContact OD1-O 3.08Å; N163-G166 VanDerWaalsContact OD1-O 3.13Å; G166-F168 PolarHBondContact O-N 3.11Å
167P95.3Very high95Very high85 Ų8554 Ų5455%0.55231%0.309SS*.THydrogen-bonded Turntrans-80.444.8-169.635-36.8000113.6A116 K120A116-P167 HydrophobicContact CB-CG 3.92Å; K120-P167 VanDerWaalsContact CE-O 3.22Å; K120-P167 WeakPolarHBondContact CE-O 3.44Å; K120-P167 PolarHBondContact NZ-O 3.34Å
168F96.6Very high95.1Very high5 Ų554.2 Ų54.22%0.02231%0.31CS..THydrogen-bonded Turntrans-87.6-13.8-176.2-62.1-78.9000113.8V111 A116 F119 I157 F165 G166 M170V111-F168 HydrophobicContact CB-CD1 4.4Å; V111-F168 HydrophobicContact CB-CE1 4.13Å; V111-F168 HydrophobicContact CB-CE2 4.35Å; V111-F168 HydrophobicContact CB-CZ 4.12Å; V111-F168 HydrophobicContact CG1-CD1 4.4Å; V111-F168 HydrophobicContact CG1-CD2 3.77Å; V111-F168 HydrophobicContact CG1-CE1 4.26Å; V111-F168 HydrophobicContact CG1-CE2 3.63Å; V111-F168 HydrophobicContact CG1-CG 4.16Å; V111-F168 HydrophobicContact CG1-CZ 3.89Å; V111-F168 HydrophobicContact CG2-CD1 3.83Å; V111-F168 HydrophobicContact CG2-CE1 3.96Å; V111-F168 HydrophobicContact CG2-CG 4.16Å; V111-F168 HydrophobicContact CG2-CZ 4.42Å; V111-F168 WeakPolarHBondContact O-CZ 3.41Å; A116-F168 HydrophobicContact CB-CD1 3.85Å; A116-F168 HydrophobicContact CB-CE1 3.74Å; A116-F168 HydrophobicContact CB-CZ 4.3Å; F119-F168 HydrophobicContact CB-CD1 3.92Å; F119-F168 HydrophobicContact CB-CE1 4.16Å; F119-F168 HydrophobicContact CD1-CB 4.12Å; F119-F168 AromaticContact CD1-CD1 3.78Å; F119-F168 HydrophobicContact CD1-CD1 3.78Å; F119-F168 HydrophobicContact CD1-CG 4.44Å; F119-F168 HydrophobicContact CE1-CB 4.14Å; F119-F168 HydrophobicContact CE1-CD1 4.5Å; F119-F168 AromaticContact CG-CD1 3.88Å; F119-F168 HydrophobicContact CG-CD1 3.88Å; I157-F168 HydrophobicContact CG2-CB 3.54Å; I157-F168 HydrophobicContact CG2-CG 4.17Å; F165-F168 HydrophobicContact CB-CD2 4.34Å; F165-F168 VanDerWaalsContact O-CE2 3.26Å; F165-F168 WeakPolarHBondContact O-CE2 3.39Å; G166-F168 PolarHBondContact O-N 3.11Å; F168-M170 PolarHBondContact O-N 2.94Å
169Y97.4Very high95.1Very high67 Ų6758.7 Ų58.726%0.26334%0.338SS..  trans-54.3136174.5175.3-115.6000112.1A158 K161 N163A158-Y169 WeakPolarHBondContact O-CD2 3.41Å; K161-Y169 WeakPolarHBondContact CE-OH 3.15Å; K161-Y169 HydrophobicContact CG-CD2 4Å; K161-Y169 HydrophobicContact CG-CE1 4.35Å; K161-Y169 HydrophobicContact CG-CE2 3.51Å; N163-Y169 WeakPolarHBondContact OD1-CB 3.48Å; N163-Y169 PolarHBondContact OD1-N 2.98Å
170M97.3Very high95.2Very high10 Ų1057.9 Ų57.95%0.04933%0.327CS..  trans-116.2113.9177.2-68.7177.168.800109.9K120 V123 A158 F168 D172 Y173K120-M170 HydrophobicContact CB-CE 4.4Å; K120-M170 HydrophobicContact CB-SD 4.26Å; K120-M170 HydrophobicContact CD-CG 4.26Å; K120-M170 HydrophobicContact CG-CG 3.73Å; K120-M170 HydrophobicContact CG-SD 3.94Å; V123-M170 HydrophobicContact CB-CE 4.46Å; V123-M170 HydrophobicContact CB-SD 4.05Å; V123-M170 HydrophobicContact CG1-CE 4.06Å; V123-M170 HydrophobicContact CG1-SD 3.8Å; V123-M170 HydrophobicContact CG2-SD 4.43Å; A158-M170 HydrophobicContact CB-SD 4.15Å; A158-M170 PolarHBondContact O-N 3.25Å; F168-M170 PolarHBondContact O-N 2.94Å; M170-D172 VanDerWaalsContact C-N 3.28Å; M170-D172 PolarHBondContact O-N 3.41Å; M170-Y173 VanDerWaalsContact CB-CB 3.49Å; M170-Y173 HydrophobicContact CB-CG 4.45Å; M170-Y173 PolarHBondContact O-N 3.33Å
171S95.6Very high95.4Very high99 Ų9957 Ų5769%0.69232%0.322SS*.THydrogen-bonded Turntrans-69.1-26.1-176.151.90000114.4
172D95.5Very high95.6Very high124 Ų12453.2 Ų53.266%0.66331%0.307SS*.THydrogen-bonded Turntrans-99.80-17751.9-26.6000113.2M170M170-D172 VanDerWaalsContact C-N 3.28Å; M170-D172 PolarHBondContact O-N 3.41Å
173Y97.8Very high95.9Very high28 Ų2851.3 Ų51.311%0.1129%0.293CS..  trans-77.2122.7177.3176.7-114.8000111.6V123 I127 H155 A158 A159 M170 E176 L177V123-Y173 HydrophobicContact CG1-CD2 4.37Å; V123-Y173 HydrophobicContact CG1-CE2 4.35Å; I127-Y173 HydrophobicContact CD1-CD2 4.15Å; I127-Y173 HydrophobicContact CD1-CE2 4.16Å; H155-Y173 AromaticContact ND1-CE1 3.49Å; H155-Y173 WeakPolarHBondContact ND1-CE1 3.48Å; H155-Y173 AromaticContact ND1-CZ 3.61Å; H155-Y173 PolarHBondContact ND1-OH 3.27Å; A158-Y173 HydrophobicContact CB-CD1 3.7Å; A158-Y173 HydrophobicContact CB-CE1 3.8Å; A158-Y173 HydrophobicContact CB-CG 4.14Å; A159-Y173 HydrophobicContact CB-CD1 4.44Å; A159-Y173 HydrophobicContact CB-CE1 4.33Å; M170-Y173 VanDerWaalsContact CB-CB 3.49Å; M170-Y173 HydrophobicContact CB-CG 4.45Å; M170-Y173 PolarHBondContact O-N 3.33Å; Y173-E176 WeakPolarHBondContact CD2-OE2 3.43Å; Y173-E176 HydrophobicContact CE2-CB 4.37Å; Y173-E176 VanDerWaalsContact CE2-OE2 3.26Å; Y173-E176 WeakPolarHBondContact CE2-OE2 3.43Å; Y173-L177 HydrophobicContact CE2-CB 4.5Å; Y173-L177 HydrophobicContact CE2-CD1 4.4Å; Y173-L177 HydrophobicContact CE2-CG 3.89Å; Y173-L177 WeakPolarHBondContact OH-CB 3.31Å; Y173-L177 WeakPolarHBondContact OH-CG 3.49Å; Y173-L177 PolarHBondContact OH-N 3.26Å; Y173-L177 VanDerWaalsContact OH-N 3.12Å
174G97Very high96.5Very high63 Ų6348 Ų4865%0.64928%0.275SS*.  trans-96.70.1-17400000115.2E176G174-E176 WeakPolarHBondContact CA-OE2 3.43Å; G174-E176 PolarHBondContact N-OE1 2.87Å; G174-E176 PolarHBondContact N-OE2 3.04Å
175G98.1Very high97Very high12 Ų1243.3 Ų43.312%0.12426%0.257CS..SBendtrans9423.4-175.100000113.7L177 L178 T179G175-L177 VanDerWaalsContact C-N 3.29Å; G175-L177 PolarHBondContact O-N 2.96Å; G175-L178 WeakPolarHBondContact O-CB 3.29Å; G175-L178 PolarHBondContact O-N 3.28Å; G175-L178 VanDerWaalsContact O-N 3.16Å; G175-T179 PolarHBondContact O-N 2.94Å; G175-T179 VanDerWaalsContact O-N 3.08Å; G175-T179 PolarHBondContact O-OG1 3.22Å
176E98.7Very high97.4Very high66 Ų6643 Ų4331%0.30827%0.265SS..Hα-helixtrans-61.2-35.8-177.1-64.683.5174.600112.2I127 Y173 G174 T179 L180I127-E176 HydrophobicContact CD1-CB 3.84Å; I127-E176 HydrophobicContact CD1-CG 4.17Å; I127-E176 HydrophobicContact CG1-CB 3.71Å; I127-E176 HydrophobicContact CG1-CG 4.36Å; I127-E176 HydrophobicContact CG2-CB 4.17Å; I127-E176 HydrophobicContact CG2-CG 4.08Å; Y173-E176 WeakPolarHBondContact CD2-OE2 3.43Å; Y173-E176 HydrophobicContact CE2-CB 4.37Å; Y173-E176 VanDerWaalsContact CE2-OE2 3.26Å; Y173-E176 WeakPolarHBondContact CE2-OE2 3.43Å; G174-E176 WeakPolarHBondContact CA-OE2 3.43Å; G174-E176 PolarHBondContact N-OE1 2.87Å; G174-E176 PolarHBondContact N-OE2 3.04Å; E176-T179 WeakPolarHBondContact O-CB 2.77Å; E176-T179 PolarHBondContact O-N 3.12Å; E176-T179 VanDerWaalsContact O-N 3.17Å; E176-L180 WeakPolarHBondContact O-CG 3.37Å; E176-L180 PolarHBondContact O-N 3.28Å
177L98.8Very high97.8Very high0 Ų044.3 Ų44.30%026%0.262CS..Hα-helixtrans-68.1-35.8177-50.5177.5000112V123 V126 I127 L151 A154 H155 Y173 G175 T179 L180 A181V123-L177 HydrophobicContact CG1-CD1 4.02Å; V123-L177 HydrophobicContact CG1-CD2 4.43Å; V123-L177 HydrophobicContact CG1-CG 4.36Å; V123-L177 HydrophobicContact CG2-CD1 4.15Å; V126-L177 HydrophobicContact CB-CD2 4.11Å; V126-L177 HydrophobicContact CG1-CD2 3.54Å; I127-L177 HydrophobicContact CG1-CD2 4.09Å; L151-L177 HydrophobicContact CD2-CB 4.14Å; L151-L177 HydrophobicContact CD2-CD2 3.9Å; A154-L177 HydrophobicContact CB-CD1 3.64Å; H155-L177 HydrophobicContact CB-CB 4.15Å; Y173-L177 HydrophobicContact CE2-CB 4.5Å; Y173-L177 HydrophobicContact CE2-CD1 4.4Å; Y173-L177 HydrophobicContact CE2-CG 3.89Å; Y173-L177 WeakPolarHBondContact OH-CB 3.31Å; Y173-L177 WeakPolarHBondContact OH-CG 3.49Å; Y173-L177 PolarHBondContact OH-N 3.26Å; Y173-L177 VanDerWaalsContact OH-N 3.12Å; G175-L177 VanDerWaalsContact C-N 3.29Å; G175-L177 PolarHBondContact O-N 2.96Å; L177-T179 VanDerWaalsContact C-N 3.29Å; L177-T179 PolarHBondContact O-N 3.29Å; L177-L180 HydrophobicContact CD2-CD1 4.33Å; L177-L180 PolarHBondContact O-N 3.24Å; L177-A181 WeakPolarHBondContact O-CB 3.31Å; L177-A181 PolarHBondContact O-N 3.1Å
178L98.8Very high97.9Very high24 Ų2440.2 Ų40.213%0.12624%0.236CC..Hα-helixtrans-65.8-36171.9177.962.1000111.2L152 G175 A181 H182 L233 L236 L237L152-L178 HydrophobicContact CD2-CD1 3.99Å; G175-L178 WeakPolarHBondContact O-CB 3.29Å; G175-L178 PolarHBondContact O-N 3.28Å; G175-L178 VanDerWaalsContact O-N 3.16Å; L178-A181 PolarHBondContact O-N 3.43Å; L178-H182 WeakPolarHBondContact O-CB 3.38Å; L178-H182 PolarHBondContact O-N 2.9Å; L178-L233 HydrophobicContact CD1-CD1 3.78Å; L178-L236 HydrophobicContact CD1-CB 3.89Å; L178-L236 HydrophobicContact CD1-CD1 4.04Å; L178-L236 HydrophobicContact CD2-CB 4.05Å; L178-L237 HydrophobicContact CD1-CD2 4.21Å; L178-L237 HydrophobicContact CD1-CG 4.48Å; L178-L237 HydrophobicContact CD2-CD2 4.19Å; L178-L237 HydrophobicContact CG-CD2 4.11Å
179T98.7Very high98Very high95 Ų9542.2 Ų42.258%0.58325%0.247SC*.Hα-helixtrans-64.1-41.8174.5-56.70000111.1G175 E176 L177 H182 D183G175-T179 PolarHBondContact O-N 2.94Å; G175-T179 VanDerWaalsContact O-N 3.08Å; G175-T179 PolarHBondContact O-OG1 3.22Å; E176-T179 WeakPolarHBondContact O-CB 2.77Å; E176-T179 PolarHBondContact O-N 3.12Å; E176-T179 VanDerWaalsContact O-N 3.17Å; L177-T179 VanDerWaalsContact C-N 3.29Å; L177-T179 PolarHBondContact O-N 3.29Å; T179-H182 PolarHBondContact O-N 3.38Å; T179-D183 PolarHBondContact O-N 3.24Å
180L98.8Very high98Very high27 Ų2741.1 Ų41.114%0.14125%0.248CC..Hα-helixtrans-64.2-46.1173.8-73.7171.5000111.8V126 F132 L151 E176 L177 H182 D183 L184V126-L180 HydrophobicContact CG1-CD1 3.83Å; F132-L180 HydrophobicContact CE2-CB 4.02Å; F132-L180 HydrophobicContact CE2-CD2 4.19Å; F132-L180 VanDerWaalsContact CE2-O 3.3Å; F132-L180 WeakPolarHBondContact CE2-O 3.41Å; L151-L180 HydrophobicContact CD1-CB 3.86Å; L151-L180 HydrophobicContact CD2-CB 4.41Å; L151-L180 HydrophobicContact CD2-CD1 4.4Å; E176-L180 WeakPolarHBondContact O-CG 3.37Å; E176-L180 PolarHBondContact O-N 3.28Å; L177-L180 HydrophobicContact CD2-CD1 4.33Å; L177-L180 PolarHBondContact O-N 3.24Å; L180-H182 VanDerWaalsContact C-N 3.27Å; L180-H182 PolarHBondContact O-N 3.31Å; L180-D183 PolarHBondContact O-N 2.91Å; L180-D183 VanDerWaalsContact O-N 3.17Å; L180-L184 PolarHBondContact O-N 3.41Å
181A98.8Very high98Very high0 Ų040.7 Ų40.70%025%0.246CC..Hα-helixtrans-59.5-4017700000111.6M148 L151 L152 L177 L178 A185 L233M148-A181 HydrophobicContact CG-CB 4.19Å; L151-A181 HydrophobicContact CB-CB 4.1Å; L151-A181 HydrophobicContact CD1-CB 4.33Å; L152-A181 HydrophobicContact CD2-CB 3.92Å; L152-A181 HydrophobicContact CG-CB 4.15Å; L177-A181 WeakPolarHBondContact O-CB 3.31Å; L177-A181 PolarHBondContact O-N 3.1Å; L178-A181 PolarHBondContact O-N 3.43Å; A181-A185 WeakPolarHBondContact O-CB 3.26Å; A181-A185 PolarHBondContact O-N 3.45Å; A181-L233 HydrophobicContact CB-CD1 4.27Å
182H98.8Very high98Very high78 Ų7836.6 Ų36.636%0.36122%0.215SC..Hα-helixtrans-66.5-41.8174.8-176.8-157.8000112.7L178 T179 L180 A185 G186 L233 L237 Y242L178-H182 WeakPolarHBondContact O-CB 3.38Å; L178-H182 PolarHBondContact O-N 2.9Å; T179-H182 PolarHBondContact O-N 3.38Å; L180-H182 VanDerWaalsContact C-N 3.27Å; L180-H182 PolarHBondContact O-N 3.31Å; H182-A185 PolarHBondContact O-N 2.86Å; H182-G186 PolarHBondContact O-N 3.2Å; H182-L233 HydrophobicContact CB-CD1 4.38Å; H182-L237 HydrophobicContact CB-CD1 4.16Å; H182-L237 HydrophobicContact CB-CD2 4.44Å; H182-Y242 AromaticContact CD2-CZ 3.88Å; H182-Y242 PolarHBondContact CD2-OH 2.76Å; H182-Y242 PolarHBondContact NE2-OH 2.69Å; H182-Y242 VanDerWaalsContact NE2-OH 3.1Å
183D98.7Very high97.9Very high62 Ų6236 Ų3633%0.33221%0.212SC..Hα-helixtrans-60.4-46.6174.4-179.460.1000111.3F132 T179 L180 G186 R187F132-D183 HydrophobicContact CD2-CB 4.46Å; T179-D183 PolarHBondContact O-N 3.24Å; L180-D183 PolarHBondContact O-N 2.91Å; L180-D183 VanDerWaalsContact O-N 3.17Å; D183-G186 PolarHBondContact O-N 3.28Å; D183-R187 WeakPolarHBondContact O-CG 3.5Å; D183-R187 PolarHBondContact O-N 3.4Å; D183-R187 IonicContact OD1-CZ 3.77Å; D183-R187 IonicContact OD1-NE 2.69Å; D183-R187 PolarHBondContact OD1-NE 3.01Å; D183-R187 IonicContact OD1-NH2 3.37Å; D183-R187 PolarHBondContact OD1-NH2 3.15Å; D183-R187 IonicContact OD2-CZ 3.63Å; D183-R187 IonicContact OD2-NE 3.48Å; D183-R187 PolarHBondContact OD2-NE 3.18Å; D183-R187 IonicContact OD2-NH2 3.42Å; D183-R187 PolarHBondContact OD2-NH2 3.43Å
184L98.7Very high97.5Very high0 Ų037.7 Ų37.70%024%0.239CC..Hα-helixtrans-59.5-49.9175.7-179.658.4000111.1F132 V147 M148 L180 G186 R187 L188 L206F132-L184 HydrophobicContact CD1-CD1 4.2Å; F132-L184 HydrophobicContact CD2-CB 3.77Å; F132-L184 HydrophobicContact CE1-CD2 4.43Å; F132-L184 HydrophobicContact CE2-CB 3.76Å; F132-L184 HydrophobicContact CG-CB 4.27Å; F132-L184 HydrophobicContact CG-CD1 4.22Å; F132-L184 HydrophobicContact CZ-CB 4.26Å; F132-L184 HydrophobicContact CZ-CD2 4.28Å; V147-L184 HydrophobicContact CB-CD2 3.73Å; V147-L184 HydrophobicContact CG1-CD2 3.57Å; M148-L184 HydrophobicContact CB-CD2 4.26Å; L180-L184 PolarHBondContact O-N 3.41Å; L184-G186 VanDerWaalsContact C-N 3.28Å; L184-G186 PolarHBondContact O-N 3.34Å; L184-R187 WeakPolarHBondContact O-CA 3.38Å; L184-R187 WeakPolarHBondContact O-CB 3.47Å; L184-R187 PolarHBondContact O-N 2.88Å; L184-L188 HydrophobicContact CD1-CD1 4.44Å; L184-L188 HydrophobicContact CD1-CD2 4.42Å; L184-L188 HydrophobicContact CD1-CG 4.26Å; L184-L188 HydrophobicContact CG-CD1 4.23Å; L184-L188 HydrophobicContact CG-CG 4.43Å; L184-L188 WeakPolarHBondContact O-CG 3.42Å; L184-L188 PolarHBondContact O-N 3.1Å; L184-L206 HydrophobicContact CD1-CD2 3.93Å
185A98.4Very high97.4Very high0 Ų035.6 Ų35.60%021%0.213CC..Hα-helixtrans-56.2-43.7178.400000111.8M148 A181 H182 R187 L188 L189 L233 Y242M148-A185 HydrophobicContact CE-CB 3.54Å; M148-A185 HydrophobicContact SD-CB 4.37Å; A181-A185 WeakPolarHBondContact O-CB 3.26Å; A181-A185 PolarHBondContact O-N 3.45Å; H182-A185 PolarHBondContact O-N 2.86Å; A185-R187 VanDerWaalsContact C-N 3.29Å; A185-R187 PolarHBondContact O-N 3.5Å; A185-L188 PolarHBondContact O-N 3.22Å; A185-L188 VanDerWaalsContact O-N 3.1Å; A185-L189 WeakPolarHBondContact O-CG 3.45Å; A185-L189 PolarHBondContact O-N 2.64Å; A185-L233 HydrophobicContact CB-CD2 3.34Å; A185-Y242 HydrophobicContact CB-CD1 3.9Å; A185-Y242 HydrophobicContact CB-CE1 3.51Å
186G98.1Very high97.3Very high33 Ų3338.9 Ų38.934%0.3424%0.239SC..Hα-helixtrans-59-36.9175.100000113.4H182 D183 L184H182-G186 PolarHBondContact O-N 3.2Å; D183-G186 PolarHBondContact O-N 3.28Å; L184-G186 VanDerWaalsContact C-N 3.28Å; L184-G186 PolarHBondContact O-N 3.34Å
187R98.3Very high97.3Very high52 Ų5236.2 Ų36.220%0.19623%0.228CC..Hα-helixtrans-73.7-25.1175.4-67.2169-173.3-77.3-5.3113.4F132 D183 L184 A185 P190 I204 L206F132-R187 VanDerWaalsContact CB-CD 3.5Å; F132-R187 WeakPolarHBondContact O-CD 3.35Å; F132-R187 PolarHBondContact O-NE 3.37Å; F132-R187 PolarHBondContact O-NH1 3.32Å; D183-R187 WeakPolarHBondContact O-CG 3.5Å; D183-R187 PolarHBondContact O-N 3.4Å; D183-R187 IonicContact OD1-CZ 3.77Å; D183-R187 IonicContact OD1-NE 2.69Å; D183-R187 PolarHBondContact OD1-NE 3.01Å; D183-R187 IonicContact OD1-NH2 3.37Å; D183-R187 PolarHBondContact OD1-NH2 3.15Å; D183-R187 IonicContact OD2-CZ 3.63Å; D183-R187 IonicContact OD2-NE 3.48Å; D183-R187 PolarHBondContact OD2-NE 3.18Å; D183-R187 IonicContact OD2-NH2 3.42Å; D183-R187 PolarHBondContact OD2-NH2 3.43Å; L184-R187 WeakPolarHBondContact O-CA 3.38Å; L184-R187 WeakPolarHBondContact O-CB 3.47Å; L184-R187 PolarHBondContact O-N 2.88Å; A185-R187 VanDerWaalsContact C-N 3.29Å; A185-R187 PolarHBondContact O-N 3.5Å; R187-P190 WeakPolarHBondContact O-CD 3.24Å; R187-I204 WeakPolarHBondContact O-CD1 3.24Å; R187-L206 HydrophobicContact CB-CD2 4.35Å; R187-L206 WeakPolarHBondContact CD-O 3.43Å; R187-L206 PolarHBondContact NH1-O 2.76Å
188L98.2Very high97.1Very high0 Ų036.8 Ų36.80%023%0.234CC..Hα-helixtrans-83.1-24.7176.5-61.6-178.4000112.9M148 L184 A185 P190 A191 I204 L206M148-L188 HydrophobicContact CE-CD1 4.12Å; L184-L188 HydrophobicContact CD1-CD1 4.44Å; L184-L188 HydrophobicContact CD1-CD2 4.42Å; L184-L188 HydrophobicContact CD1-CG 4.26Å; L184-L188 HydrophobicContact CG-CD1 4.23Å; L184-L188 HydrophobicContact CG-CG 4.43Å; L184-L188 WeakPolarHBondContact O-CG 3.42Å; L184-L188 PolarHBondContact O-N 3.1Å; A185-L188 PolarHBondContact O-N 3.22Å; A185-L188 VanDerWaalsContact O-N 3.1Å; L188-P190 VanDerWaalsContact C-CD 3.4Å; L188-A191 WeakPolarHBondContact O-CB 3.32Å; L188-A191 PolarHBondContact O-N 3.34Å; L188-I204 HydrophobicContact CD2-CG2 3.54Å; L188-L206 HydrophobicContact CD2-CD2 4.45Å
189L96.9Very high97.1Very high46 Ų4635.7 Ų35.724%0.24123%0.228CC..G310 helixtrans-51.8-40.5-178.9-73.5-177.8000115.2A185 A191 F192 Y242 L245A185-L189 WeakPolarHBondContact O-CG 3.45Å; A185-L189 PolarHBondContact O-N 2.64Å; L189-A191 PolarHBondContact O-N 3.29Å; L189-F192 WeakPolarHBondContact O-CD2 3.22Å; L189-F192 PolarHBondContact O-N 2.9Å; L189-Y242 HydrophobicContact CD1-CE1 4.04Å; L189-Y242 HydrophobicContact CD2-CD1 4.1Å; L189-Y242 HydrophobicContact CD2-CE1 4.01Å; L189-Y242 HydrophobicContact CG-CE1 4.12Å; L189-L245 HydrophobicContact CD2-CD2 3.57Å
190P97.3Very high97.1Very high45 Ų4531.2 Ų31.229%0.29220%0.2SC..G310 helixtrans-60.2-16.2177.6-23.334.1000114.1R187 L188 F192 D193 I204R187-P190 WeakPolarHBondContact O-CD 3.24Å; L188-P190 VanDerWaalsContact C-CD 3.4Å; P190-F192 PolarHBondContact O-N 3.24Å; P190-D193 PolarHBondContact O-N 2.63Å; P190-I204 HydrophobicContact CB-CD1 3.87Å; P190-I204 HydrophobicContact CG-CD1 4.22Å
191A97.5Very high97Very high0 Ų031.2 Ų31.20%020%0.199CC..G310 helixtrans-67.6-21.2174.100000113.3V140 L188 L189 P200 Y201 I204 I210V140-A191 HydrophobicContact CG2-CB 3.65Å; L188-A191 WeakPolarHBondContact O-CB 3.32Å; L188-A191 PolarHBondContact O-N 3.34Å; L189-A191 PolarHBondContact O-N 3.29Å; A191-P200 HydrophobicContact CB-CB 4.22Å; A191-P200 CarbonylContact O-C 3.48Å; A191-P200 WeakPolarHBondContact O-CA 3.26Å; A191-Y201 WeakPolarHBondContact O-CD2 3.29Å; A191-Y201 PolarHBondContact O-N 2.92Å; A191-I204 HydrophobicContact CB-CB 4.44Å; A191-I204 HydrophobicContact CB-CD1 4.02Å; A191-I210 HydrophobicContact CB-CD1 4.33Å
192F96.6Very high96.9Very high13 Ų1331.8 Ų31.86%0.05720%0.202CC..THydrogen-bonded Turntrans-89.4-17.5177.3-60.3-100.4000112.1L189 P190 T195 P200 L226 F230 L245 V249L189-F192 WeakPolarHBondContact O-CD2 3.22Å; L189-F192 PolarHBondContact O-N 2.9Å; P190-F192 PolarHBondContact O-N 3.24Å; F192-T195 PolarHBondContact O-OG1 3.44Å; F192-P200 HydrophobicContact CD1-CB 3.79Å; F192-P200 HydrophobicContact CD1-CG 4.14Å; F192-P200 HydrophobicContact CD2-CB 4.25Å; F192-P200 HydrophobicContact CE1-CB 3.8Å; F192-P200 HydrophobicContact CE1-CG 3.77Å; F192-P200 HydrophobicContact CE2-CB 4.25Å; F192-P200 HydrophobicContact CG-CB 4.04Å; F192-P200 HydrophobicContact CZ-CB 4.05Å; F192-P200 HydrophobicContact CZ-CG 4.14Å; F192-L226 HydrophobicContact CE1-CD1 4.17Å; F192-L226 HydrophobicContact CZ-CD1 3.62Å; F192-F230 HydrophobicContact CE2-CE2 4.08Å; F192-F230 HydrophobicContact CE2-CZ 4.32Å; F192-F230 AromaticContact CZ-CE2 3.96Å; F192-F230 HydrophobicContact CZ-CE2 3.96Å; F192-F230 HydrophobicContact CZ-CZ 4.33Å; F192-L245 HydrophobicContact CB-CD1 4.05Å; F192-L245 HydrophobicContact CB-CD2 4.14Å; F192-L245 HydrophobicContact CB-CG 4.49Å; F192-L245 HydrophobicContact CD1-CD1 3.71Å; F192-L245 HydrophobicContact CD1-CD2 3.7Å; F192-L245 HydrophobicContact CD1-CG 3.57Å; F192-L245 HydrophobicContact CD2-CD2 3.62Å; F192-L245 HydrophobicContact CD2-CG 4.41Å; F192-L245 HydrophobicContact CE1-CD1 4.34Å; F192-L245 HydrophobicContact CE1-CD2 3.88Å; F192-L245 HydrophobicContact CE1-CG 3.72Å; F192-L245 HydrophobicContact CE2-CD2 3.82Å; F192-L245 HydrophobicContact CG-CD1 3.98Å; F192-L245 HydrophobicContact CG-CD2 3.55Å; F192-L245 HydrophobicContact CG-CG 3.92Å; F192-L245 HydrophobicContact CZ-CD2 3.93Å; F192-L245 HydrophobicContact CZ-CG 4.22Å; F192-V249 HydrophobicContact CD1-CG2 4.06Å; F192-V249 HydrophobicContact CE1-CG2 3.86Å
193D93.6Very high96.8Very high111 Ų11130.5 Ų30.559%0.59419%0.194SC*.THydrogen-bonded Turntrans-78.3149.7-179.7-67.8-33.1000111.8P190 T195P190-D193 PolarHBondContact O-N 2.63Å; D193-T195 PolarHBondContact O-N 3.05Å
194G89Confident96.7Very high65 Ų6527.7 Ų27.767%0.6718%0.179SC*.THydrogen-bonded Turntrans70.314.7177.800000114.6Q271G194-Q271 PolarHBondContact O-NE2 2.98Å; G194-Q271 PolarHBondContact O-OE1 3.35Å
195T95.6Very high96.7Very high18 Ų1827.9 Ų27.911%0.1118%0.18CC..  trans-104.7126.117571.40000109.7F192 D193 T197 G198 I199 Y201 I270F192-T195 PolarHBondContact O-OG1 3.44Å; D193-T195 PolarHBondContact O-N 3.05Å; T195-T197 VanDerWaalsContact C-N 3.25Å; T195-T197 PolarHBondContact O-N 2.91Å; T195-G198 PolarHBondContact O-N 3.42Å; T195-G198 WeakPolarHBondContact OG1-CA 3.46Å; T195-G198 PolarHBondContact OG1-N 2.86Å; T195-I199 WeakPolarHBondContact CB-O 3.23Å; T195-I199 VanDerWaalsContact CG2-O 3.24Å; T195-I199 WeakPolarHBondContact CG2-O 3.29Å; T195-I199 PolarHBondContact OG1-O 3.34Å; T195-Y201 HydrophobicContact CG2-CD2 3.74Å; T195-Y201 HydrophobicContact CG2-CE2 3.61Å; T195-I270 HydrophobicContact CG2-CD1 3.81Å; T195-I270 HydrophobicContact CG2-CG1 4.16Å
196A96.3Very high96.6Very high81 Ų8128 Ų2867%0.66918%0.181SC*.SBendtrans-70.9-25.2-177.900000112.5Q271A196-Q271 VanDerWaalsContact CB-O 3.31Å; A196-Q271 WeakPolarHBondContact CB-O 3.46Å
197T96.9Very high96.6Very high11 Ų1131.3 Ų31.37%0.06719%0.187CC..SBendtrans-85.3-23.9177.6640000113.3T195 I199 I270T195-T197 VanDerWaalsContact C-N 3.25Å; T195-T197 PolarHBondContact O-N 2.91Å; T197-I199 VanDerWaalsContact C-N 3.31Å; T197-I199 VanDerWaalsContact OG1-CB 3.29Å; T197-I199 WeakPolarHBondContact OG1-CB 3.44Å; T197-I199 WeakPolarHBondContact OG1-CG1 3.45Å; T197-I199 PolarHBondContact OG1-N 3.01Å; T197-I199 VanDerWaalsContact OG1-N 3.1Å; T197-I270 WeakPolarHBondContact CB-O 3.17Å; T197-I270 VanDerWaalsContact CG2-O 3.22Å; T197-I270 WeakPolarHBondContact CG2-O 3.14Å; T197-I270 PolarHBondContact N-O 3.29Å; T197-I270 PolarHBondContact OG1-O 3.42Å
198G95.9Very high96.5Very high12 Ų1234.8 Ų34.812%0.12420%0.203CC..SBendtrans84.2-1.7-166.900000114.4T195 V249T195-G198 PolarHBondContact O-N 3.42Å; T195-G198 WeakPolarHBondContact OG1-CA 3.46Å; T195-G198 PolarHBondContact OG1-N 2.86Å; G198-V249 WeakPolarHBondContact O-CG2 3.42Å
199I98.2Very high96.4Very high0 Ų035.3 Ų35.30%021%0.209CC..PPolyproline II helixtrans-76.6132.7174.1-62.3172.6000108.3T195 T197 T218 A223 V249 K252 L253 L256 I268 I270T195-I199 WeakPolarHBondContact CB-O 3.23Å; T195-I199 VanDerWaalsContact CG2-O 3.24Å; T195-I199 WeakPolarHBondContact CG2-O 3.29Å; T195-I199 PolarHBondContact OG1-O 3.34Å; T197-I199 VanDerWaalsContact C-N 3.31Å; T197-I199 VanDerWaalsContact OG1-CB 3.29Å; T197-I199 WeakPolarHBondContact OG1-CB 3.44Å; T197-I199 WeakPolarHBondContact OG1-CG1 3.45Å; T197-I199 PolarHBondContact OG1-N 3.01Å; T197-I199 VanDerWaalsContact OG1-N 3.1Å; I199-T218 HydrophobicContact CG2-CG2 3.6Å; I199-A223 HydrophobicContact CG2-CB 3.65Å; I199-V249 HydrophobicContact CG1-CG1 4.45Å; I199-K252 HydrophobicContact CD1-CG 4.13Å; I199-K252 HydrophobicContact CG1-CG 4.02Å; I199-L253 HydrophobicContact CD1-CD2 3.77Å; I199-L253 HydrophobicContact CD1-CG 4.35Å; I199-L253 HydrophobicContact CG1-CD2 4.46Å; I199-L256 HydrophobicContact CD1-CD1 3.98Å; I199-I268 HydrophobicContact CD1-CD1 3.8Å; I199-I270 HydrophobicContact CB-CB 4.4Å; I199-I270 HydrophobicContact CB-CG2 4.27Å; I199-I270 HydrophobicContact CG2-CG2 3.87Å
200P97.9Very high96.4Very high1 Ų135.7 Ų35.71%0.00621%0.211CC..PPolyproline II helixtrans-70.7152.4-172.328.7-35.7000113.2A191 F192 A223 L226A191-P200 HydrophobicContact CB-CB 4.22Å; A191-P200 CarbonylContact O-C 3.48Å; A191-P200 WeakPolarHBondContact O-CA 3.26Å; F192-P200 HydrophobicContact CD1-CB 3.79Å; F192-P200 HydrophobicContact CD1-CG 4.14Å; F192-P200 HydrophobicContact CD2-CB 4.25Å; F192-P200 HydrophobicContact CE1-CB 3.8Å; F192-P200 HydrophobicContact CE1-CG 3.77Å; F192-P200 HydrophobicContact CE2-CB 4.25Å; F192-P200 HydrophobicContact CG-CB 4.04Å; F192-P200 HydrophobicContact CZ-CB 4.05Å; F192-P200 HydrophobicContact CZ-CG 4.14Å; P200-A223 HydrophobicContact CG-CB 4.33Å; P200-L226 HydrophobicContact CG-CD1 4.27Å
201Y98.1Very high96.3Very high28 Ų2836.2 Ų36.211%0.1121%0.211CC..PPolyproline II helixtrans-53.9142.1159.1-76.7-84.4000110.4V140 A191 T195 R203 I210 T214 N216 I270 Q271V140-Y201 WeakPolarHBondContact CG2-O 3.37Å; A191-Y201 WeakPolarHBondContact O-CD2 3.29Å; A191-Y201 PolarHBondContact O-N 2.92Å; T195-Y201 HydrophobicContact CG2-CD2 3.74Å; T195-Y201 HydrophobicContact CG2-CE2 3.61Å; Y201-R203 VanDerWaalsContact C-N 3.31Å; Y201-R203 PolarHBondContact O-N 2.82Å; Y201-I210 HydrophobicContact CD1-CG2 4.38Å; Y201-I210 HydrophobicContact CD2-CD1 3.96Å; Y201-I210 HydrophobicContact CD2-CG1 3.96Å; Y201-I210 HydrophobicContact CD2-CG2 4.38Å; Y201-I210 HydrophobicContact CE1-CG2 4.28Å; Y201-I210 HydrophobicContact CE2-CG1 4.39Å; Y201-I210 HydrophobicContact CE2-CG2 4.3Å; Y201-I210 HydrophobicContact CG-CD1 3.91Å; Y201-I210 HydrophobicContact CG-CG1 4.35Å; Y201-I210 HydrophobicContact CG-CG2 4.43Å; Y201-T214 HydrophobicContact CD1-CG2 3.71Å; Y201-T214 HydrophobicContact CE1-CG2 4.37Å; Y201-T214 HydrophobicContact CG-CG2 4.43Å; Y201-N216 VanDerWaalsContact CE1-OD1 3.26Å; Y201-N216 WeakPolarHBondContact CE1-OD1 3.45Å; Y201-N216 PolarHBondContact OH-OD1 3.26Å; Y201-I270 HydrophobicContact CD1-CD1 3.45Å; Y201-I270 VanDerWaalsContact CD1-CD1 3.45Å; Y201-I270 HydrophobicContact CD2-CD1 3.98Å; Y201-I270 HydrophobicContact CE1-CD1 3.57Å; Y201-I270 HydrophobicContact CE2-CD1 4.07Å; Y201-I270 HydrophobicContact CG-CD1 3.66Å; Y201-Q271 PolarHBondContact OH-NE2 3.09Å
202T96.5Very high96Very high11 Ų1142.7 Ų42.77%0.06725%0.253CS..SBendtrans-63.9-37.2179.6-54.50000112.5Q139 V140 S217 T218Q139-T202 WeakPolarHBondContact CA-O 3.19Å; Q139-T202 HydrophobicContact CG-CG2 3.99Å; Q139-T202 VanDerWaalsContact CG-O 3.29Å; Q139-T202 WeakPolarHBondContact CG-O 3.2Å; V140-T202 PolarHBondContact N-O 2.84Å; T202-S217 PolarHBondContact OG1-O 3.05Å; T202-T218 WeakPolarHBondContact OG1-CA 3.38Å; T202-T218 WeakPolarHBondContact OG1-CB 3.36Å; T202-T218 PolarHBondContact OG1-OG1 2.75Å
203R96.6Very high95.7Very high52 Ų5245.9 Ų45.920%0.19629%0.289CS..EExtended strand (participates in β ladder)trans-129.3149.8-172-64.1179.8-176.882.110.8111.4D94 T137 V138 Y201 I210D94-R203 IonicContact OD1-CZ 3.63Å; D94-R203 IonicContact OD1-NE 2.75Å; D94-R203 PolarHBondContact OD1-NE 3.48Å; D94-R203 IonicContact OD1-NH2 3.62Å; D94-R203 PolarHBondContact OD1-NH2 2.97Å; D94-R203 IonicContact OD2-CZ 3.04Å; D94-R203 IonicContact OD2-NE 3.32Å; D94-R203 PolarHBondContact OD2-NE 3.26Å; D94-R203 IonicContact OD2-NH2 3.97Å; D94-R203 PolarHBondContact OD2-NH2 3.31Å; T137-R203 HydrophobicContact CG2-CB 3.99Å; V138-R203 VanDerWaalsContact O-CA 3.28Å; V138-R203 WeakPolarHBondContact O-CA 3.22Å; Y201-R203 VanDerWaalsContact C-N 3.31Å; Y201-R203 PolarHBondContact O-N 2.82Å; R203-I210 WeakPolarHBondContact O-CD1 3.31Å
204I97.2Very high95.7Very high2 Ų242.3 Ų42.31%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-147143.1179.2-175.4156.2000110.5T137 V138 V140 R187 L188 P190 A191 I210T137-I204 WeakPolarHBondContact CA-O 3.39Å; V138-I204 HydrophobicContact CG2-CG2 4.48Å; V138-I204 PolarHBondContact N-O 3.5Å; V138-I204 PolarHBondContact O-N 2.02Å; V140-I204 HydrophobicContact CG2-CB 4.4Å; V140-I204 HydrophobicContact CG2-CG2 3.78Å; R187-I204 WeakPolarHBondContact O-CD1 3.24Å; L188-I204 HydrophobicContact CD2-CG2 3.54Å; P190-I204 HydrophobicContact CB-CD1 3.87Å; P190-I204 HydrophobicContact CG-CD1 4.22Å; A191-I204 HydrophobicContact CB-CB 4.44Å; A191-I204 HydrophobicContact CB-CD1 4.02Å; I204-I210 HydrophobicContact CB-CD1 4.07Å; I204-I210 HydrophobicContact CD1-CD1 4.11Å; I204-I210 HydrophobicContact CG1-CD1 4.05Å
205N97.6Very high95.9Very high4 Ų442.4 Ų42.42%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-86.1125.8170.5-173.6-84.5000110N135 T136 T137 Q207 K208 G209 L211N135-N205 PolarHBondContact OD1-ND2 2.82Å; T136-N205 VanDerWaalsContact O-CA 3.31Å; T136-N205 WeakPolarHBondContact O-CA 3.39Å; T136-N205 PolarHBondContact O-ND2 2.83Å; T137-N205 PolarHBondContact OG1-ND2 3.4Å; N205-Q207 PolarHBondContact O-N 3.48Å; N205-Q207 VanDerWaalsContact O-N 3.09Å; N205-Q207 PolarHBondContact OD1-N 2.83Å; N205-K208 HydrophobicContact CB-CB 4.14Å; N205-K208 PolarHBondContact O-N 2.8Å; N205-K208 WeakPolarHBondContact OD1-CB 3.35Å; N205-K208 PolarHBondContact OD1-N 2.89Å; N205-G209 WeakPolarHBondContact CB-O 3.37Å; N205-G209 PolarHBondContact N-O 2.8Å; N205-G209 WeakPolarHBondContact O-CA 3.41Å; N205-G209 PolarHBondContact O-N 2.91Å; N205-L211 HydrophobicContact CB-CD1 4.06Å; N205-L211 HydrophobicContact CB-CD2 4.11Å; N205-L211 HydrophobicContact CB-CG 3.92Å
206L97.4Very high95.9Very high4 Ų444.7 Ų44.72%0.02127%0.271CS..THydrogen-bonded Turntrans-64.5-19.2-171.9-65.7177.6000114.3Y99 F132 K134 T136 V138 L184 R187 L188Y99-L206 HydrophobicContact CD1-CD1 4.32Å; Y99-L206 HydrophobicContact CE1-CD1 4.5Å; F132-L206 WeakPolarHBondContact O-CB 3.31Å; K134-L206 HydrophobicContact CB-CD1 4.5Å; K134-L206 WeakPolarHBondContact O-CB 3.39Å; T136-L206 PolarHBondContact O-N 2.74Å; V138-L206 HydrophobicContact CG1-CD1 4.29Å; V138-L206 HydrophobicContact CG2-CD1 4.39Å; V138-L206 HydrophobicContact CG2-CD2 3.76Å; V138-L206 HydrophobicContact CG2-CG 3.98Å; L184-L206 HydrophobicContact CD1-CD2 3.93Å; R187-L206 HydrophobicContact CB-CD2 4.35Å; R187-L206 WeakPolarHBondContact CD-O 3.43Å; R187-L206 PolarHBondContact NH1-O 2.76Å; L188-L206 HydrophobicContact CD2-CD2 4.45Å
207Q96.4Very high95.9Very high102 Ų10242.3 Ų42.348%0.47725%0.249SC..THydrogen-bonded Turntrans-105.5-37.2175.8-172.4177.351.100113.1K134 N205K134-Q207 WeakPolarHBondContact O-CB 3.23Å; K134-Q207 PolarHBondContact O-N 3.22Å; K134-Q207 VanDerWaalsContact O-N 3.16Å; N205-Q207 PolarHBondContact O-N 3.48Å; N205-Q207 VanDerWaalsContact O-N 3.09Å; N205-Q207 PolarHBondContact OD1-N 2.83Å
208K96.8Very high95.8Very high124 Ų12441.9 Ų41.954%0.53925%0.247SC..THydrogen-bonded Turntrans-102.9-7.2-170.1-64171.9-179.5157.50114.2N135 N205 L211N135-K208 VanDerWaalsContact CG-NZ 3.34Å; N135-K208 PolarHBondContact ND2-NZ 3.36Å; N135-K208 VanDerWaalsContact OD1-CE 3.22Å; N135-K208 WeakPolarHBondContact OD1-CE 3.04Å; N135-K208 PolarHBondContact OD1-NZ 2.83Å; N205-K208 HydrophobicContact CB-CB 4.14Å; N205-K208 PolarHBondContact O-N 2.8Å; N205-K208 WeakPolarHBondContact OD1-CB 3.35Å; N205-K208 PolarHBondContact OD1-N 2.89Å; K208-L211 HydrophobicContact CB-CD2 3.79Å; K208-L211 HydrophobicContact CD-CD2 3.97Å
209G96.6Very high95.9Very high12 Ų1242.7 Ų42.712%0.12425%0.25CS..BIsolated β-bridgetrans70.6-138.2-173.300000111.8N205 L211N205-G209 WeakPolarHBondContact CB-O 3.37Å; N205-G209 PolarHBondContact N-O 2.8Å; N205-G209 WeakPolarHBondContact O-CA 3.41Å; N205-G209 PolarHBondContact O-N 2.91Å; G209-L211 PolarHBondContact O-N 2.86Å
210I96.6Very high95.8Very high53 Ų5342.7 Ų42.727%0.27225%0.25SS..SBendtrans-78.6117.7-177.5-57.7-55.5000111.1A191 Y201 R203 I204 T214A191-I210 HydrophobicContact CB-CD1 4.33Å; Y201-I210 HydrophobicContact CD1-CG2 4.38Å; Y201-I210 HydrophobicContact CD2-CD1 3.96Å; Y201-I210 HydrophobicContact CD2-CG1 3.96Å; Y201-I210 HydrophobicContact CD2-CG2 4.38Å; Y201-I210 HydrophobicContact CE1-CG2 4.28Å; Y201-I210 HydrophobicContact CE2-CG1 4.39Å; Y201-I210 HydrophobicContact CE2-CG2 4.3Å; Y201-I210 HydrophobicContact CG-CD1 3.91Å; Y201-I210 HydrophobicContact CG-CG1 4.35Å; Y201-I210 HydrophobicContact CG-CG2 4.43Å; R203-I210 WeakPolarHBondContact O-CD1 3.31Å; I204-I210 HydrophobicContact CB-CD1 4.07Å; I204-I210 HydrophobicContact CD1-CD1 4.11Å; I204-I210 HydrophobicContact CG1-CD1 4.05Å; I210-T214 HydrophobicContact CG2-CG2 4.37Å
211L94.8Very high95.8Very high57 Ų5742.7 Ų42.730%0.29825%0.251SS..PPolyproline II helixtrans-79.8149.9179.8-62.3-179.7000111.5N205 K208 G209 G213 T214N205-L211 HydrophobicContact CB-CD1 4.06Å; N205-L211 HydrophobicContact CB-CD2 4.11Å; N205-L211 HydrophobicContact CB-CG 3.92Å; K208-L211 HydrophobicContact CB-CD2 3.79Å; K208-L211 HydrophobicContact CD-CD2 3.97Å; G209-L211 PolarHBondContact O-N 2.86Å; L211-G213 PolarHBondContact O-N 3.44Å; L211-T214 PolarHBondContact N-OG1 3.41Å; L211-T214 WeakPolarHBondContact O-CB 3.46Å; L211-T214 PolarHBondContact O-N 3.39Å; L211-T214 VanDerWaalsContact O-N 3.16Å; L211-T214 PolarHBondContact O-OG1 3.45Å
212P92.3Very high95.7Very high135 Ų13541.6 Ų41.688%0.87725%0.247SC*.THydrogen-bonded Turntrans-57131.7171.9-2333.6000111.5
213G89.6Confident95.7Very high80 Ų8041.1 Ų41.183%0.82524%0.244SC*.THydrogen-bonded Turntrans88.40.7-178.700000114.9L211 T215L211-G213 PolarHBondContact O-N 3.44Å; G213-T215 PolarHBondContact O-N 2.82Å
214T92.9Very high95.8Very high36 Ų3638.6 Ų38.622%0.22124%0.235CC..  trans-55.6131170.6-55.60000110Y201 I210 L211Y201-T214 HydrophobicContact CD1-CG2 3.71Å; Y201-T214 HydrophobicContact CE1-CG2 4.37Å; Y201-T214 HydrophobicContact CG-CG2 4.43Å; I210-T214 HydrophobicContact CG2-CG2 4.37Å; L211-T214 PolarHBondContact N-OG1 3.41Å; L211-T214 WeakPolarHBondContact O-CB 3.46Å; L211-T214 PolarHBondContact O-N 3.39Å; L211-T214 VanDerWaalsContact O-N 3.16Å; L211-T214 PolarHBondContact O-OG1 3.45Å
215T93.1Very high95.8Very high68 Ų6838.5 Ų38.542%0.41724%0.235SC..  trans-65.6136.2-176.651.40000111.6G213 S217G213-T215 PolarHBondContact O-N 2.82Å; T215-S217 PolarHBondContact O-N 2.94Å
216N95.9Very high95.9Very high65 Ų6538.4 Ų38.435%0.34823%0.234SC..SBendtrans-8017.9174.6-70-23.3000113.1Y201 D269 I270 Q271Y201-N216 VanDerWaalsContact CE1-OD1 3.26Å; Y201-N216 WeakPolarHBondContact CE1-OD1 3.45Å; Y201-N216 PolarHBondContact OH-OD1 3.26Å; N216-D269 CarbonylContact O-C 3.56Å; N216-D269 WeakPolarHBondContact O-CA 3.48Å; N216-I270 HydrophobicContact CB-CD1 4.42Å; N216-I270 HydrophobicContact CB-CG1 4.12Å; N216-I270 WeakPolarHBondContact O-CG1 3.34Å; N216-I270 PolarHBondContact O-N 3.28Å; N216-Q271 HydrophobicContact CB-CG 4.15Å
217S95.6Very high95.9Very high31 Ų3138.2 Ų38.222%0.21723%0.233CC..EExtended strand (participates in β ladder)trans-118.7140.1-178.860.10000111.7T202 T215 I268T202-S217 PolarHBondContact OG1-O 3.05Å; T215-S217 PolarHBondContact O-N 2.94Å; S217-I268 VanDerWaalsContact CA-O 3.24Å; S217-I268 WeakPolarHBondContact CA-O 3.29Å
218T96.6Very high96Very high2 Ų233.7 Ų33.71%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-138.6159176.1-169.60000111I199 T202 A223 L267 I268 I270I199-T218 HydrophobicContact CG2-CG2 3.6Å; T202-T218 WeakPolarHBondContact OG1-CA 3.38Å; T202-T218 WeakPolarHBondContact OG1-CB 3.36Å; T202-T218 PolarHBondContact OG1-OG1 2.75Å; T218-A223 HydrophobicContact CG2-CB 3.88Å; T218-L267 WeakPolarHBondContact O-CA 3.34Å; T218-I268 HydrophobicContact CG2-CG2 3.64Å; T218-I268 PolarHBondContact N-O 3.44Å; T218-I268 WeakPolarHBondContact O-CG2 3.45Å; T218-I268 PolarHBondContact O-N 2.93Å; T218-I270 HydrophobicContact CG2-CG2 3.65Å
219C96.8Very high96.1Very high29 Ų2928.1 Ų28.120%0.19619%0.188CC..  trans-88.8162.517365.70000111.6G222 A223 N266C219-G222 PolarHBondContact O-N 3.41Å; C219-G222 PolarHBondContact SG-N 3.21Å; C219-A223 PolarHBondContact O-N 2.98Å; C219-A223 VanDerWaalsContact O-N 3.12Å; C219-N266 VanDerWaalsContact CA-O 3.23Å; C219-N266 WeakPolarHBondContact CA-O 3.18Å; C219-N266 VanDerWaalsContact CB-O 3.26Å; C219-N266 WeakPolarHBondContact CB-O 3.39Å
220T97.3Very high96.2Very high0 Ų027.6 Ų27.60%018%0.182CC..Hα-helixtrans-62.8-47.8-176.1-61.30000112G224 H264 G265 W275 G285 I286 F289T220-G224 WeakPolarHBondContact O-CA 3Å; T220-G224 PolarHBondContact O-N 2.96Å; T220-H264 HydrophobicContact CG2-CB 4.27Å; T220-G265 PolarHBondContact OG1-O 3.1Å; T220-W275 VanDerWaalsContact OG1-CZ3 3.25Å; T220-W275 WeakPolarHBondContact OG1-CZ3 3.47Å; T220-G285 WeakPolarHBondContact CB-O 3.46Å; T220-G285 PolarHBondContact N-O 2.99Å; T220-G285 VanDerWaalsContact N-O 3.09Å; T220-I286 HydrophobicContact CG2-CG2 4.27Å; T220-F289 HydrophobicContact CG2-CB 3.92Å; T220-F289 HydrophobicContact CG2-CD1 3.34Å; T220-F289 HydrophobicContact CG2-CE1 3.85Å; T220-F289 HydrophobicContact CG2-CG 3.71Å
221S96.9Very high96.3Very high2 Ų225 Ų251%0.01417%0.169CC..Hα-helixtrans-62.3-42.9174.4-66.10000112.1A223 G224 S225 G285 I286 D287 S288S221-A223 VanDerWaalsContact C-N 3.26Å; S221-A223 PolarHBondContact O-N 3.48Å; S221-G224 PolarHBondContact O-N 3.12Å; S221-S225 WeakPolarHBondContact O-CB 3.46Å; S221-S225 PolarHBondContact O-N 2.97Å; S221-S225 PolarHBondContact O-OG 2.94Å; S221-G285 PolarHBondContact N-O 2.81Å; S221-G285 VanDerWaalsContact OG-C 3.24Å; S221-I286 WeakPolarHBondContact OG-CA 3.43Å; S221-I286 PolarHBondContact OG-N 2.73Å; S221-I286 PolarHBondContact OG-O 3.06Å; S221-D287 PolarHBondContact OG-N 2.7Å; S221-D287 PolarHBondContact OG-OD1 2.96Å; S221-S288 VanDerWaalsContact CB-OG 3.3Å; S221-S288 WeakPolarHBondContact CB-OG 3.25Å; S221-S288 PolarHBondContact OG-N 2.92Å; S221-S288 PolarHBondContact OG-OG 2.83Å
222G96.3Very high96.5Very high4 Ų423.5 Ų23.54%0.04116%0.162CC..Hα-helixtrans-64.7-30.2-175.200000113.9C219C219-G222 PolarHBondContact O-N 3.41Å; C219-G222 PolarHBondContact SG-N 3.21Å
223A97.2Very high96.8Very high1 Ų117.1 Ų17.11%0.00812%0.12CC..Hα-helixtrans-89.5-34.217200000113.5I199 P200 T218 C219 S221 V249 L253I199-A223 HydrophobicContact CG2-CB 3.65Å; P200-A223 HydrophobicContact CG-CB 4.33Å; T218-A223 HydrophobicContact CG2-CB 3.88Å; C219-A223 PolarHBondContact O-N 2.98Å; C219-A223 VanDerWaalsContact O-N 3.12Å; S221-A223 VanDerWaalsContact C-N 3.26Å; S221-A223 PolarHBondContact O-N 3.48Å; A223-V249 HydrophobicContact CB-CG1 4.16Å; A223-V249 VanDerWaalsContact O-CG1 3.29Å; A223-V249 WeakPolarHBondContact O-CG1 3.39Å; A223-L253 HydrophobicContact CB-CD1 3.95Å
224G97.1Very high97.2Very high0 Ų013.4 Ų13.40%08%0.082CC..Hα-helixtrans-92.7-8.5-167.600000116.1T220 S221 N250T220-G224 WeakPolarHBondContact O-CA 3Å; T220-G224 PolarHBondContact O-N 2.96Å; S221-G224 PolarHBondContact O-N 3.12Å; G224-N250 VanDerWaalsContact CA-OD1 3.23Å; G224-N250 WeakPolarHBondContact CA-OD1 3.38Å; G224-N250 PolarHBondContact O-ND2 3.37Å; G224-N250 VanDerWaalsContact O-ND2 3.14Å; G224-N250 PolarHBondContact O-OD1 3.27Å
225S98.3Very high97.5Very high0 Ų017.8 Ų17.80%010%0.098CC..SBendtrans-110.548-171.6-43.10000111.9S221 S288 F289 Y292S221-S225 WeakPolarHBondContact O-CB 3.46Å; S221-S225 PolarHBondContact O-N 2.97Å; S221-S225 PolarHBondContact O-OG 2.94Å; S225-S288 WeakPolarHBondContact CB-OG 3.38Å; S225-S288 PolarHBondContact OG-OG 3.44Å; S225-F289 PolarHBondContact OG-N 3.35Å; S225-Y292 VanDerWaalsContact C-CD2 3.47Å; S225-Y292 VanDerWaalsContact CA-CD2 3.41Å; S225-Y292 VanDerWaalsContact O-CE2 3.22Å; S225-Y292 WeakPolarHBondContact O-CE2 3.01Å
226L98.4Very high97.7Very high1 Ų117.8 Ų17.81%0.00510%0.095CC..  trans-115-10.6178.8-50.4179.2000112.1V140 T144 F192 P200 F230 A246V140-L226 HydrophobicContact CG1-CD1 4.1Å; V140-L226 HydrophobicContact CG1-CD2 4.31Å; T144-L226 HydrophobicContact CG2-CB 4.38Å; T144-L226 HydrophobicContact CG2-CD2 3.86Å; F192-L226 HydrophobicContact CE1-CD1 4.17Å; F192-L226 HydrophobicContact CZ-CD1 3.62Å; P200-L226 HydrophobicContact CG-CD1 4.27Å; L226-F230 HydrophobicContact CB-CD1 4.28Å; L226-F230 HydrophobicContact CB-CE1 4.44Å; L226-F230 WeakPolarHBondContact O-CB 3.24Å; L226-F230 WeakPolarHBondContact O-CD1 3.09Å; L226-F230 WeakPolarHBondContact O-CG 2.92Å; L226-F230 PolarHBondContact O-N 2.93Å; L226-A246 HydrophobicContact CB-CB 4.33Å
227L98.4Very high97.8Very high0 Ų017.4 Ų17.40%09%0.093CC..Hα-helixtrans-72.3-33-163.6179.454.9000113.9G231 E243 A246 R247 Y292 S296L227-G231 WeakPolarHBondContact O-CA 3.34Å; L227-G231 PolarHBondContact O-N 2.93Å; L227-E243 HydrophobicContact CD1-CG 4.32Å; L227-A246 HydrophobicContact CB-CB 4.11Å; L227-A246 HydrophobicContact CD1-CB 3.91Å; L227-R247 HydrophobicContact CD1-CB 4.42Å; L227-R247 HydrophobicContact CD1-CG 3.37Å; L227-R247 HydrophobicContact CD2-CG 4.04Å; L227-R247 HydrophobicContact CG-CG 4.39Å; L227-Y292 HydrophobicContact CB-CD2 4.28Å; L227-S296 VanDerWaalsContact CD2-OG 3.23Å; L227-S296 WeakPolarHBondContact CD2-OG 3.43Å; L227-S296 WeakPolarHBondContact CG-OG 3.42Å
228L98.5Very high97.9Very high8 Ų819.4 Ų19.44%0.04212%0.118CC..Hα-helixtrans-66.2-53.1179.1-63.9-176.8000110.4G231 V232 Y292 K295 L299 F300L228-G231 PolarHBondContact O-N 3.04Å; L228-V232 WeakPolarHBondContact O-CB 3.41Å; L228-V232 VanDerWaalsContact O-CG2 3.3Å; L228-V232 WeakPolarHBondContact O-CG2 3.45Å; L228-V232 PolarHBondContact O-N 2.94Å; L228-Y292 HydrophobicContact CB-CD2 4.33Å; L228-Y292 HydrophobicContact CB-CE2 3.83Å; L228-Y292 HydrophobicContact CD1-CD1 4Å; L228-Y292 HydrophobicContact CD1-CD2 4.32Å; L228-Y292 HydrophobicContact CD1-CE1 3.7Å; L228-Y292 HydrophobicContact CD1-CE2 4.07Å; L228-Y292 HydrophobicContact CD1-CG 4.31Å; L228-Y292 HydrophobicContact CG-CD1 4.34Å; L228-Y292 HydrophobicContact CG-CD2 3.79Å; L228-Y292 HydrophobicContact CG-CE1 4.22Å; L228-Y292 HydrophobicContact CG-CE2 3.69Å; L228-Y292 HydrophobicContact CG-CG 4.15Å; L228-K295 HydrophobicContact CD1-CB 3.92Å; L228-K295 HydrophobicContact CD1-CD 4.18Å; L228-K295 HydrophobicContact CD2-CB 4.08Å; L228-L299 HydrophobicContact CD2-CB 4.45Å; L228-L299 HydrophobicContact CD2-CD2 3.94Å; L228-F300 HydrophobicContact CD2-CE2 4.26Å
229E98.8Very high98Very high7 Ų722.2 Ų22.23%0.03313%0.133CC..Hα-helixtrans-69.1-47.4-175.5-60.865.6-137.300110.5T144 M148 L152 G231 V232 L233 Y292T144-E229 HydrophobicContact CG2-CB 3.77Å; T144-E229 HydrophobicContact CG2-CG 4Å; M148-E229 HydrophobicContact CB-CB 4.5Å; M148-E229 HydrophobicContact CG-CB 4.28Å; M148-E229 HydrophobicContact SD-CB 3.96Å; L152-E229 HydrophobicContact CD1-CB 4.09Å; L152-E229 WeakPolarHBondContact CD1-O 3.42Å; E229-G231 VanDerWaalsContact C-N 3.27Å; E229-G231 PolarHBondContact O-N 3.29Å; E229-V232 PolarHBondContact O-N 3.37Å; E229-L233 VanDerWaalsContact O-CB 3.25Å; E229-L233 WeakPolarHBondContact O-CB 3.35Å; E229-L233 PolarHBondContact O-N 3.41Å; E229-Y292 VanDerWaalsContact CD-OH 3.31Å; E229-Y292 PolarHBondContact OE1-OH 2.86Å; E229-Y292 WeakPolarHBondContact OE2-CE2 3.05Å; E229-Y292 PolarHBondContact OE2-OH 3.36Å; E229-Y292 VanDerWaalsContact OE2-OH 3.1Å
230F98.8Very high98Very high0 Ų024.5 Ų24.50%014%0.143CC..Hα-helixtrans-65.2-34.3177.8-81.243.1000111.4T144 M148 F192 L226 S234 Y242 L245 A246T144-F230 HydrophobicContact CG2-CD1 3.89Å; T144-F230 HydrophobicContact CG2-CE1 3.74Å; M148-F230 HydrophobicContact CE-CD1 4.13Å; M148-F230 HydrophobicContact CE-CE1 3.59Å; M148-F230 HydrophobicContact CE-CZ 4.35Å; M148-F230 HydrophobicContact SD-CD1 3.86Å; M148-F230 HydrophobicContact SD-CE1 3.95Å; F192-F230 HydrophobicContact CE2-CE2 4.08Å; F192-F230 HydrophobicContact CE2-CZ 4.32Å; F192-F230 AromaticContact CZ-CE2 3.96Å; F192-F230 HydrophobicContact CZ-CE2 3.96Å; F192-F230 HydrophobicContact CZ-CZ 4.33Å; L226-F230 HydrophobicContact CB-CD1 4.28Å; L226-F230 HydrophobicContact CB-CE1 4.44Å; L226-F230 WeakPolarHBondContact O-CB 3.24Å; L226-F230 WeakPolarHBondContact O-CD1 3.09Å; L226-F230 WeakPolarHBondContact O-CG 2.92Å; L226-F230 PolarHBondContact O-N 2.93Å; F230-S234 WeakPolarHBondContact O-CB 3.33Å; F230-S234 PolarHBondContact O-N 3.25Å; F230-S234 PolarHBondContact O-OG 2.84Å; F230-Y242 HydrophobicContact CD2-CD1 4.24Å; F230-Y242 HydrophobicContact CE2-CD1 4.31Å; F230-Y242 WeakPolarHBondContact O-CB 3.46Å; F230-L245 HydrophobicContact CE2-CD2 4.49Å; F230-A246 HydrophobicContact CB-CB 4.03Å; F230-A246 HydrophobicContact CD2-CB 4.35Å; F230-A246 HydrophobicContact CG-CB 4.4Å
231G98.4Very high98Very high0 Ų027 Ų270%016%0.159CC..Hα-helixtrans-65.9-50.8174.700000112.1L227 L228 E229 S234 K235L227-G231 WeakPolarHBondContact O-CA 3.34Å; L227-G231 PolarHBondContact O-N 2.93Å; L228-G231 PolarHBondContact O-N 3.04Å; E229-G231 VanDerWaalsContact C-N 3.27Å; E229-G231 PolarHBondContact O-N 3.29Å; G231-S234 WeakPolarHBondContact O-CB 3.4Å; G231-S234 PolarHBondContact O-N 2.98Å; G231-K235 WeakPolarHBondContact O-CG 3.28Å; G231-K235 PolarHBondContact O-N 3.07Å
232V98.6Very high98Very high25 Ų2527.4 Ų27.415%0.15216%0.16CC..Hα-helixtrans-60.8-46.3177170.20000110.9L152 M156 L228 E229 S234 K235 L236 L299 F300L152-V232 HydrophobicContact CB-CG1 4.37Å; L152-V232 HydrophobicContact CD1-CB 4.3Å; L152-V232 HydrophobicContact CD1-CG1 4.2Å; L152-V232 HydrophobicContact CD2-CG1 4.45Å; M156-V232 HydrophobicContact CE-CG1 4.15Å; M156-V232 HydrophobicContact SD-CG1 4.08Å; L228-V232 WeakPolarHBondContact O-CB 3.41Å; L228-V232 VanDerWaalsContact O-CG2 3.3Å; L228-V232 WeakPolarHBondContact O-CG2 3.45Å; L228-V232 PolarHBondContact O-N 2.94Å; E229-V232 PolarHBondContact O-N 3.37Å; V232-S234 VanDerWaalsContact C-N 3.28Å; V232-S234 PolarHBondContact O-N 3.34Å; V232-K235 PolarHBondContact O-N 3.17Å; V232-K235 VanDerWaalsContact O-N 3.14Å; V232-L236 HydrophobicContact CG1-CD1 3.76Å; V232-L236 HydrophobicContact CG1-CG 4.32Å; V232-L236 WeakPolarHBondContact O-CG 3.46Å; V232-L236 PolarHBondContact O-N 3.09Å; V232-L299 HydrophobicContact CG2-CD2 3.83Å; V232-F300 HydrophobicContact CG2-CE1 4.41Å; V232-F300 HydrophobicContact CG2-CZ 4.29Å
233L98.8Very high98.1Very high0 Ų028.2 Ų28.20%016%0.163CC..Hα-helixtrans-54.4-46.6175.1-178.967.1000111.1M148 L152 L178 A181 H182 A185 E229 K235 L236 L237 Y242M148-L233 HydrophobicContact SD-CD2 4.08Å; L152-L233 HydrophobicContact CD1-CB 4.27Å; L152-L233 HydrophobicContact CD2-CB 4.37Å; L152-L233 HydrophobicContact CD2-CD1 4.07Å; L178-L233 HydrophobicContact CD1-CD1 3.78Å; A181-L233 HydrophobicContact CB-CD1 4.27Å; H182-L233 HydrophobicContact CB-CD1 4.38Å; A185-L233 HydrophobicContact CB-CD2 3.34Å; E229-L233 VanDerWaalsContact O-CB 3.25Å; E229-L233 WeakPolarHBondContact O-CB 3.35Å; E229-L233 PolarHBondContact O-N 3.41Å; L233-K235 VanDerWaalsContact C-N 3.35Å; L233-K235 PolarHBondContact O-N 3.28Å; L233-L236 PolarHBondContact O-N 2.91Å; L233-L237 HydrophobicContact CD1-CD1 3.71Å; L233-L237 HydrophobicContact CD1-CG 4.04Å; L233-L237 HydrophobicContact CD2-CD1 4.45Å; L233-L237 HydrophobicContact CG-CD1 3.79Å; L233-L237 HydrophobicContact CG-CG 4.37Å; L233-L237 WeakPolarHBondContact O-CB 3.21Å; L233-L237 WeakPolarHBondContact O-CG 3.42Å; L233-L237 PolarHBondContact O-N 3.48Å; L233-Y242 HydrophobicContact CD2-CD1 4.03Å; L233-Y242 HydrophobicContact CD2-CD2 3.94Å; L233-Y242 HydrophobicContact CD2-CE1 4.24Å; L233-Y242 HydrophobicContact CD2-CE2 4.16Å; L233-Y242 HydrophobicContact CD2-CG 3.89Å; L233-Y242 HydrophobicContact CG-CD2 4.29Å
234S98.7Very high98.1Very high3 Ų334.3 Ų34.32%0.02119%0.186CC..Hα-helixtrans-60.6-42.5178.5-62.30000112.8F230 G231 V232 G238 D239 Y242 E243F230-S234 WeakPolarHBondContact O-CB 3.33Å; F230-S234 PolarHBondContact O-N 3.25Å; F230-S234 PolarHBondContact O-OG 2.84Å; G231-S234 WeakPolarHBondContact O-CB 3.4Å; G231-S234 PolarHBondContact O-N 2.98Å; V232-S234 VanDerWaalsContact C-N 3.28Å; V232-S234 PolarHBondContact O-N 3.34Å; S234-G238 WeakPolarHBondContact O-CA 3.47Å; S234-G238 PolarHBondContact O-N 3.09Å; S234-D239 WeakPolarHBondContact CA-O 3.31Å; S234-D239 WeakPolarHBondContact CB-O 3.5Å; S234-D239 PolarHBondContact O-N 3.11Å; S234-D239 PolarHBondContact OG-O 3.47Å; S234-Y242 WeakPolarHBondContact OG-CB 3.39Å; S234-E243 WeakPolarHBondContact OG-CB 3.31Å; S234-E243 PolarHBondContact OG-N 3.15Å
235K98.1Very high98.1Very high128 Ų12836 Ų3656%0.55720%0.195SC*.Hα-helixtrans-65.6-40.3177.8-62.4-49-177.2-154.40112.1G231 V232 L233 E243G231-K235 WeakPolarHBondContact O-CG 3.28Å; G231-K235 PolarHBondContact O-N 3.07Å; V232-K235 PolarHBondContact O-N 3.17Å; V232-K235 VanDerWaalsContact O-N 3.14Å; L233-K235 VanDerWaalsContact C-N 3.35Å; L233-K235 PolarHBondContact O-N 3.28Å; K235-E243 VanDerWaalsContact CE-OE2 3.32Å; K235-E243 WeakPolarHBondContact CE-OE2 3.31Å; K235-E243 IonicContact NZ-OE1 3.35Å; K235-E243 IonicContact NZ-OE2 2.63Å; K235-E243 PolarHBondContact NZ-OE2 3.5Å
236L98.4Very high98.1Very high67 Ų6736.1 Ų36.135%0.35120%0.195SC..Hα-helixtrans-71.8-36.4-179.5-68.3171.8000112.5L152 M156 L178 V232 L233L152-L236 HydrophobicContact CD2-CD1 3.87Å; M156-L236 HydrophobicContact CG-CD1 4.23Å; M156-L236 HydrophobicContact CG-CD2 4.48Å; L178-L236 HydrophobicContact CD1-CB 3.89Å; L178-L236 HydrophobicContact CD1-CD1 4.04Å; L178-L236 HydrophobicContact CD2-CB 4.05Å; V232-L236 HydrophobicContact CG1-CD1 3.76Å; V232-L236 HydrophobicContact CG1-CG 4.32Å; V232-L236 WeakPolarHBondContact O-CG 3.46Å; V232-L236 PolarHBondContact O-N 3.09Å; L233-L236 PolarHBondContact O-N 2.91Å
237L98.3Very high98.1Very high58 Ų5837.7 Ų37.730%0.30420%0.201SC..Hα-helixtrans-81.4-23.2177.3-65.6178.9000113.3L178 H182 L233 D239 Y242L178-L237 HydrophobicContact CD1-CD2 4.21Å; L178-L237 HydrophobicContact CD1-CG 4.48Å; L178-L237 HydrophobicContact CD2-CD2 4.19Å; L178-L237 HydrophobicContact CG-CD2 4.11Å; H182-L237 HydrophobicContact CB-CD1 4.16Å; H182-L237 HydrophobicContact CB-CD2 4.44Å; L233-L237 HydrophobicContact CD1-CD1 3.71Å; L233-L237 HydrophobicContact CD1-CG 4.04Å; L233-L237 HydrophobicContact CD2-CD1 4.45Å; L233-L237 HydrophobicContact CG-CD1 3.79Å; L233-L237 HydrophobicContact CG-CG 4.37Å; L233-L237 WeakPolarHBondContact O-CB 3.21Å; L233-L237 WeakPolarHBondContact O-CG 3.42Å; L233-L237 PolarHBondContact O-N 3.48Å; L237-D239 VanDerWaalsContact C-N 3.26Å; L237-D239 HydrophobicContact CB-CB 4.3Å; L237-Y242 HydrophobicContact CD1-CD2 4.49Å; L237-Y242 HydrophobicContact CD1-CE2 3.92Å
238G97.9Very high98.1Very high73 Ų7345.7 Ų45.775%0.75323%0.231SC*.THydrogen-bonded Turntrans70.922-16800000113.4S234S234-G238 WeakPolarHBondContact O-CA 3.47Å; S234-G238 PolarHBondContact O-N 3.09Å
239D97.6Very high98.1Very high61 Ų6145.3 Ų45.333%0.32623%0.23SC..  trans-119.8115177.2178.8-1.9000109.3S234 L237 T241S234-D239 WeakPolarHBondContact CA-O 3.31Å; S234-D239 WeakPolarHBondContact CB-O 3.5Å; S234-D239 PolarHBondContact O-N 3.11Å; S234-D239 PolarHBondContact OG-O 3.47Å; L237-D239 VanDerWaalsContact C-N 3.26Å; L237-D239 HydrophobicContact CB-CB 4.3Å; D239-T241 VanDerWaalsContact C-N 3.25Å; D239-T241 PolarHBondContact O-N 2.83Å; D239-T241 WeakPolarHBondContact OD1-CB 3.34Å; D239-T241 PolarHBondContact OD1-N 3.29Å; D239-T241 PolarHBondContact OD1-OG1 3.04Å
240D96.9Very high98Very high76 Ų7645 Ų4541%0.40623%0.228SC..THydrogen-bonded Turntrans-83.15.7-175.667.5-24.4000114.3Y242 R244D240-Y242 PolarHBondContact O-N 3.15Å; D240-R244 HydrophobicContact CB-CG 4.47Å; D240-R244 VanDerWaalsContact O-CB 3.31Å; D240-R244 WeakPolarHBondContact O-CB 3.39Å; D240-R244 VanDerWaalsContact O-CG 3.22Å; D240-R244 WeakPolarHBondContact O-CG 3.46Å; D240-R244 PolarHBondContact O-N 3.37Å; D240-R244 PolarHBondContact O-NE 3.34Å; D240-R244 IonicContact OD1-CZ 3.34Å; D240-R244 IonicContact OD1-NE 3.45Å; D240-R244 IonicContact OD1-NH1 3.03Å; D240-R244 PolarHBondContact OD1-NH1 3.4Å; D240-R244 IonicContact OD1-NH2 3.25Å; D240-R244 PolarHBondContact OD1-NH2 2.92Å; D240-R244 WeakPolarHBondContact OD2-CD 3.38Å; D240-R244 IonicContact OD2-CZ 2.91Å; D240-R244 VanDerWaalsContact OD2-CZ 3.25Å; D240-R244 IonicContact OD2-NE 3.5Å; D240-R244 IonicContact OD2-NH1 2.95Å; D240-R244 PolarHBondContact OD2-NH1 3.09Å
241T96.8Very high98Very high53 Ų5347.4 Ų47.433%0.32524%0.239SC..Hα-helixtrans-56.7-47.9179.8-62.40000112.7D239 R244 L245D239-T241 VanDerWaalsContact C-N 3.25Å; D239-T241 PolarHBondContact O-N 2.83Å; D239-T241 WeakPolarHBondContact OD1-CB 3.34Å; D239-T241 PolarHBondContact OD1-N 3.29Å; D239-T241 PolarHBondContact OD1-OG1 3.04Å; T241-R244 PolarHBondContact OG1-NH2 3Å; T241-L245 WeakPolarHBondContact O-CB 3.42Å; T241-L245 PolarHBondContact O-N 3.44Å; T241-L245 VanDerWaalsContact O-N 3.09Å
242Y98.3Very high98Very high11 Ų1150.8 Ų50.84%0.04325%0.254CS..Hα-helixtrans-69.6-46.6-176.3-52.3-83.9000111.7H182 A185 L189 F230 L233 S234 L237 D240 R244 L245 A246H182-Y242 AromaticContact CD2-CZ 3.88Å; H182-Y242 PolarHBondContact CD2-OH 2.76Å; H182-Y242 PolarHBondContact NE2-OH 2.69Å; H182-Y242 VanDerWaalsContact NE2-OH 3.1Å; A185-Y242 HydrophobicContact CB-CD1 3.9Å; A185-Y242 HydrophobicContact CB-CE1 3.51Å; L189-Y242 HydrophobicContact CD1-CE1 4.04Å; L189-Y242 HydrophobicContact CD2-CD1 4.1Å; L189-Y242 HydrophobicContact CD2-CE1 4.01Å; L189-Y242 HydrophobicContact CG-CE1 4.12Å; F230-Y242 HydrophobicContact CD2-CD1 4.24Å; F230-Y242 HydrophobicContact CE2-CD1 4.31Å; F230-Y242 WeakPolarHBondContact O-CB 3.46Å; L233-Y242 HydrophobicContact CD2-CD1 4.03Å; L233-Y242 HydrophobicContact CD2-CD2 3.94Å; L233-Y242 HydrophobicContact CD2-CE1 4.24Å; L233-Y242 HydrophobicContact CD2-CE2 4.16Å; L233-Y242 HydrophobicContact CD2-CG 3.89Å; L233-Y242 HydrophobicContact CG-CD2 4.29Å; S234-Y242 WeakPolarHBondContact OG-CB 3.39Å; L237-Y242 HydrophobicContact CD1-CD2 4.49Å; L237-Y242 HydrophobicContact CD1-CE2 3.92Å; D240-Y242 PolarHBondContact O-N 3.15Å; Y242-R244 PolarHBondContact O-N 2.78Å; Y242-L245 WeakPolarHBondContact O-CB 3.18Å; Y242-L245 PolarHBondContact O-N 2.92Å; Y242-A246 PolarHBondContact O-N 2.9Å
243E98.2Very high97.9Very high21 Ų2149.6 Ų49.610%0.09825%0.247CC..Hα-helixtrans-60.7-48.3178.7-173-178.4168.700110.7L227 S234 K235 L245 A246 R247L227-E243 HydrophobicContact CD1-CG 4.32Å; S234-E243 WeakPolarHBondContact OG-CB 3.31Å; S234-E243 PolarHBondContact OG-N 3.15Å; K235-E243 VanDerWaalsContact CE-OE2 3.32Å; K235-E243 WeakPolarHBondContact CE-OE2 3.31Å; K235-E243 IonicContact NZ-OE1 3.35Å; K235-E243 IonicContact NZ-OE2 2.63Å; K235-E243 PolarHBondContact NZ-OE2 3.5Å; E243-L245 VanDerWaalsContact C-N 3.27Å; E243-L245 PolarHBondContact O-N 3.17Å; E243-A246 PolarHBondContact O-N 3.17Å; E243-R247 HydrophobicContact CG-CG 4.34Å; E243-R247 WeakPolarHBondContact O-CB 3.3Å; E243-R247 VanDerWaalsContact O-CG 3.29Å; E243-R247 WeakPolarHBondContact O-CG 3.28Å; E243-R247 PolarHBondContact O-N 3.03Å; E243-R247 IonicContact OE1-CZ 2.74Å; E243-R247 IonicContact OE1-NE 3.8Å; E243-R247 PolarHBondContact OE1-NE 2.98Å; E243-R247 IonicContact OE1-NH2 3.34Å; E243-R247 PolarHBondContact OE1-NH2 3.4Å
244R97.6Very high97.9Very high129 Ų12950.6 Ų50.649%0.48725%0.251SS..Hα-helixtrans-60.3-39178.6-74.3-175.2-51.7-133.9-7.6112D240 T241 Y242 R248D240-R244 HydrophobicContact CB-CG 4.47Å; D240-R244 VanDerWaalsContact O-CB 3.31Å; D240-R244 WeakPolarHBondContact O-CB 3.39Å; D240-R244 VanDerWaalsContact O-CG 3.22Å; D240-R244 WeakPolarHBondContact O-CG 3.46Å; D240-R244 PolarHBondContact O-N 3.37Å; D240-R244 PolarHBondContact O-NE 3.34Å; D240-R244 IonicContact OD1-CZ 3.34Å; D240-R244 IonicContact OD1-NE 3.45Å; D240-R244 IonicContact OD1-NH1 3.03Å; D240-R244 PolarHBondContact OD1-NH1 3.4Å; D240-R244 IonicContact OD1-NH2 3.25Å; D240-R244 PolarHBondContact OD1-NH2 2.92Å; D240-R244 WeakPolarHBondContact OD2-CD 3.38Å; D240-R244 IonicContact OD2-CZ 2.91Å; D240-R244 VanDerWaalsContact OD2-CZ 3.25Å; D240-R244 IonicContact OD2-NE 3.5Å; D240-R244 IonicContact OD2-NH1 2.95Å; D240-R244 PolarHBondContact OD2-NH1 3.09Å; T241-R244 PolarHBondContact OG1-NH2 3Å; Y242-R244 PolarHBondContact O-N 2.78Å; R244-R248 VanDerWaalsContact O-CB 3.27Å; R244-R248 WeakPolarHBondContact O-CB 3.31Å; R244-R248 PolarHBondContact O-N 2.68Å
245L97.6Very high97.8Very high36 Ų3655.4 Ų55.419%0.18828%0.276CS..Hα-helixtrans-63.5-53.7179.3-173.662.9000110.6L189 F192 F230 T241 Y242 E243 R247 R248 V249L189-L245 HydrophobicContact CD2-CD2 3.57Å; F192-L245 HydrophobicContact CB-CD1 4.05Å; F192-L245 HydrophobicContact CB-CD2 4.14Å; F192-L245 HydrophobicContact CB-CG 4.49Å; F192-L245 HydrophobicContact CD1-CD1 3.71Å; F192-L245 HydrophobicContact CD1-CD2 3.7Å; F192-L245 HydrophobicContact CD1-CG 3.57Å; F192-L245 HydrophobicContact CD2-CD2 3.62Å; F192-L245 HydrophobicContact CD2-CG 4.41Å; F192-L245 HydrophobicContact CE1-CD1 4.34Å; F192-L245 HydrophobicContact CE1-CD2 3.88Å; F192-L245 HydrophobicContact CE1-CG 3.72Å; F192-L245 HydrophobicContact CE2-CD2 3.82Å; F192-L245 HydrophobicContact CG-CD1 3.98Å; F192-L245 HydrophobicContact CG-CD2 3.55Å; F192-L245 HydrophobicContact CG-CG 3.92Å; F192-L245 HydrophobicContact CZ-CD2 3.93Å; F192-L245 HydrophobicContact CZ-CG 4.22Å; F230-L245 HydrophobicContact CE2-CD2 4.49Å; T241-L245 WeakPolarHBondContact O-CB 3.42Å; T241-L245 PolarHBondContact O-N 3.44Å; T241-L245 VanDerWaalsContact O-N 3.09Å; Y242-L245 WeakPolarHBondContact O-CB 3.18Å; Y242-L245 PolarHBondContact O-N 2.92Å; E243-L245 VanDerWaalsContact C-N 3.27Å; E243-L245 PolarHBondContact O-N 3.17Å; L245-R247 PolarHBondContact O-N 3.34Å; L245-R248 WeakPolarHBondContact O-CB 3.48Å; L245-R248 PolarHBondContact O-N 3.07Å; L245-V249 WeakPolarHBondContact O-CG2 3.24Å; L245-V249 PolarHBondContact O-N 3.32Å; L245-V249 VanDerWaalsContact O-N 3.1Å
246A98.1Very high97.8Very high1 Ų151.1 Ų51.11%0.00826%0.259CS..Hα-helixtrans-61.8-42.2179.100000112.3L226 L227 F230 Y242 E243 R248 V249 N250L226-A246 HydrophobicContact CB-CB 4.33Å; L227-A246 HydrophobicContact CB-CB 4.11Å; L227-A246 HydrophobicContact CD1-CB 3.91Å; F230-A246 HydrophobicContact CB-CB 4.03Å; F230-A246 HydrophobicContact CD2-CB 4.35Å; F230-A246 HydrophobicContact CG-CB 4.4Å; Y242-A246 PolarHBondContact O-N 2.9Å; E243-A246 PolarHBondContact O-N 3.17Å; A246-R248 VanDerWaalsContact C-N 3.33Å; A246-R248 PolarHBondContact O-N 2.64Å; A246-V249 PolarHBondContact O-N 3.18Å; A246-N250 PolarHBondContact O-N 2.59Å
247R97.8Very high97.7Very high34 Ų3449.9 Ų49.913%0.12825%0.25CC..Hα-helixtrans-60.7-41.7175.2-72.8-174-179.8-70.3-5.1112.4L227 E243 L245 V249 N250 E251 N302 D305L227-R247 HydrophobicContact CD1-CB 4.42Å; L227-R247 HydrophobicContact CD1-CG 3.37Å; L227-R247 HydrophobicContact CD2-CG 4.04Å; L227-R247 HydrophobicContact CG-CG 4.39Å; E243-R247 HydrophobicContact CG-CG 4.34Å; E243-R247 WeakPolarHBondContact O-CB 3.3Å; E243-R247 VanDerWaalsContact O-CG 3.29Å; E243-R247 WeakPolarHBondContact O-CG 3.28Å; E243-R247 PolarHBondContact O-N 3.03Å; E243-R247 IonicContact OE1-CZ 2.74Å; E243-R247 IonicContact OE1-NE 3.8Å; E243-R247 PolarHBondContact OE1-NE 2.98Å; E243-R247 IonicContact OE1-NH2 3.34Å; E243-R247 PolarHBondContact OE1-NH2 3.4Å; L245-R247 PolarHBondContact O-N 3.34Å; R247-V249 VanDerWaalsContact C-N 3.29Å; R247-V249 PolarHBondContact O-N 2.72Å; R247-N250 PolarHBondContact O-N 3.37Å; R247-E251 WeakPolarHBondContact O-CB 3.42Å; R247-E251 WeakPolarHBondContact O-CG 3.45Å; R247-E251 PolarHBondContact O-N 2.74Å; R247-N302 PolarHBondContact NH1-ND2 2.84Å; R247-D305 IonicContact CZ-OD2 3.48Å; R247-D305 IonicContact NH1-OD1 3.97Å; R247-D305 PolarHBondContact NH1-OD1 2.89Å; R247-D305 IonicContact NH1-OD2 2.68Å; R247-D305 PolarHBondContact NH1-OD2 2.76Å; R247-D305 IonicContact NH2-OD2 2.72Å
248R97.6Very high97.7Very high168 Ų16849 Ų4963%0.63425%0.245SC*.Hα-helixtrans-62.2-38.6177.4-179.3-179174.5-170.2-4.1111.3R244 L245 A246 K252R244-R248 VanDerWaalsContact O-CB 3.27Å; R244-R248 WeakPolarHBondContact O-CB 3.31Å; R244-R248 PolarHBondContact O-N 2.68Å; L245-R248 WeakPolarHBondContact O-CB 3.48Å; L245-R248 PolarHBondContact O-N 3.07Å; A246-R248 VanDerWaalsContact C-N 3.33Å; A246-R248 PolarHBondContact O-N 2.64Å; R248-K252 VanDerWaalsContact O-CB 3.29Å; R248-K252 WeakPolarHBondContact O-CB 3.21Å; R248-K252 PolarHBondContact O-N 3.19Å
249V98.1Very high97.5Very high1 Ų155 Ų551%0.00625%0.254CS..Hα-helixtrans-65-46.8175.2178.40000110.9F192 G198 I199 A223 L245 A246 R247 E251 K252 L253F192-V249 HydrophobicContact CD1-CG2 4.06Å; F192-V249 HydrophobicContact CE1-CG2 3.86Å; G198-V249 WeakPolarHBondContact O-CG2 3.42Å; I199-V249 HydrophobicContact CG1-CG1 4.45Å; A223-V249 HydrophobicContact CB-CG1 4.16Å; A223-V249 VanDerWaalsContact O-CG1 3.29Å; A223-V249 WeakPolarHBondContact O-CG1 3.39Å; L245-V249 WeakPolarHBondContact O-CG2 3.24Å; L245-V249 PolarHBondContact O-N 3.32Å; L245-V249 VanDerWaalsContact O-N 3.1Å; A246-V249 PolarHBondContact O-N 3.18Å; R247-V249 VanDerWaalsContact C-N 3.29Å; R247-V249 PolarHBondContact O-N 2.72Å; V249-E251 PolarHBondContact O-N 3.12Å; V249-K252 WeakPolarHBondContact O-CB 3.19Å; V249-K252 PolarHBondContact O-N 2.82Å; V249-L253 HydrophobicContact CG1-CD1 4.02Å; V249-L253 HydrophobicContact CG1-CG 4.37Å; V249-L253 WeakPolarHBondContact O-CG 3.41Å; V249-L253 PolarHBondContact O-N 2.67Å
250N98Very high97.3Very high1 Ų157.3 Ų57.31%0.00527%0.27CS..Hα-helixtrans-60.7-45178.4-74.912.7000111.9G224 A246 R247 K252 L253 W254 F289G224-N250 VanDerWaalsContact CA-OD1 3.23Å; G224-N250 WeakPolarHBondContact CA-OD1 3.38Å; G224-N250 PolarHBondContact O-ND2 3.37Å; G224-N250 VanDerWaalsContact O-ND2 3.14Å; G224-N250 PolarHBondContact O-OD1 3.27Å; A246-N250 PolarHBondContact O-N 2.59Å; R247-N250 PolarHBondContact O-N 3.37Å; N250-K252 VanDerWaalsContact C-N 3.31Å; N250-K252 PolarHBondContact O-N 3.05Å; N250-L253 PolarHBondContact O-N 3.44Å; N250-W254 WeakPolarHBondContact O-CB 3.49Å; N250-W254 PolarHBondContact O-N 2.74Å; N250-F289 HydrophobicContact CB-CE2 4.28Å
251E97.9Very high97.4Very high50 Ų5053.8 Ų53.823%0.23425%0.251CS..Hα-helixtrans-61.3-38.5173.1-77.2-72.2-17600112.3R247 V249 W254 N255 R304 M308R247-E251 WeakPolarHBondContact O-CB 3.42Å; R247-E251 WeakPolarHBondContact O-CG 3.45Å; R247-E251 PolarHBondContact O-N 2.74Å; V249-E251 PolarHBondContact O-N 3.12Å; E251-W254 PolarHBondContact O-N 2.79Å; E251-N255 WeakPolarHBondContact O-CB 3.2Å; E251-N255 VanDerWaalsContact O-CG 3.3Å; E251-N255 PolarHBondContact O-N 2.84Å; E251-N255 PolarHBondContact O-ND2 3.47Å; E251-R304 WeakPolarHBondContact OE1-CD 3.36Å; E251-R304 WeakPolarHBondContact OE1-CG 3.44Å; E251-R304 IonicContact OE1-CZ 3.41Å; E251-R304 IonicContact OE1-NE 2.73Å; E251-R304 PolarHBondContact OE1-NE 3.28Å; E251-R304 IonicContact OE1-NH2 3.09Å; E251-R304 IonicContact OE2-CZ 3.92Å; E251-R304 IonicContact OE2-NE 3.31Å; E251-R304 PolarHBondContact OE2-NE 3.3Å; E251-R304 IonicContact OE2-NH2 2.89Å; E251-R304 PolarHBondContact OE2-NH2 2.98Å; E251-M308 HydrophobicContact CG-SD 4.46Å
252K98.2Very high97.4Very high70 Ų7052 Ų5230%0.30424%0.242SC..Hα-helixtrans-66.1-48.9178.3-177.257168165.90111.2I199 R248 V249 N250 W254 N255 L256I199-K252 HydrophobicContact CD1-CG 4.13Å; I199-K252 HydrophobicContact CG1-CG 4.02Å; R248-K252 VanDerWaalsContact O-CB 3.29Å; R248-K252 WeakPolarHBondContact O-CB 3.21Å; R248-K252 PolarHBondContact O-N 3.19Å; V249-K252 WeakPolarHBondContact O-CB 3.19Å; V249-K252 PolarHBondContact O-N 2.82Å; N250-K252 VanDerWaalsContact C-N 3.31Å; N250-K252 PolarHBondContact O-N 3.05Å; K252-W254 VanDerWaalsContact C-N 3.3Å; K252-W254 PolarHBondContact O-N 2.63Å; K252-N255 PolarHBondContact O-N 2.79Å; K252-L256 HydrophobicContact CD-CD1 4.12Å; K252-L256 HydrophobicContact CD-CG 4.35Å; K252-L256 HydrophobicContact CG-CD1 4.08Å; K252-L256 VanDerWaalsContact O-CG 3.25Å; K252-L256 WeakPolarHBondContact O-CG 3.1Å; K252-L256 PolarHBondContact O-N 3.31Å; K252-L256 VanDerWaalsContact O-N 3.11Å
253L98.1Very high97.3Very high0 Ų051.5 Ų51.50%024%0.241CC..Hα-helixtrans-58.6-44.8175.3-71.9170.2000111I199 A223 V249 N250 N255 L256 H264 I268 W275 F289I199-L253 HydrophobicContact CD1-CD2 3.77Å; I199-L253 HydrophobicContact CD1-CG 4.35Å; I199-L253 HydrophobicContact CG1-CD2 4.46Å; A223-L253 HydrophobicContact CB-CD1 3.95Å; V249-L253 HydrophobicContact CG1-CD1 4.02Å; V249-L253 HydrophobicContact CG1-CG 4.37Å; V249-L253 WeakPolarHBondContact O-CG 3.41Å; V249-L253 PolarHBondContact O-N 2.67Å; N250-L253 PolarHBondContact O-N 3.44Å; L253-N255 PolarHBondContact O-N 2.91Å; L253-L256 PolarHBondContact O-N 3.4Å; L253-L256 VanDerWaalsContact O-N 3.08Å; L253-H264 PolarHBondContact O-CD2 3.42Å; L253-H264 PolarHBondContact O-NE2 3.46Å; L253-I268 HydrophobicContact CD2-CD1 4.32Å; L253-I268 HydrophobicContact CD2-CG2 4.44Å; L253-W275 HydrophobicContact CD2-CH2 4.14Å; L253-F289 HydrophobicContact CB-CE1 4.35Å; L253-F289 HydrophobicContact CB-CE2 4.09Å; L253-F289 HydrophobicContact CB-CZ 3.59Å; L253-F289 HydrophobicContact CD1-CD2 4.36Å; L253-F289 HydrophobicContact CD1-CE2 3.84Å; L253-F289 HydrophobicContact CD1-CZ 4.12Å
254W97.6Very high97.2Very high22 Ų2250.5 Ų50.58%0.08324%0.236CC..Hα-helixtrans-56.6-50.4176.2-169.789.9000110.5N250 E251 K252 L256 R257 M308 E311N250-W254 WeakPolarHBondContact O-CB 3.49Å; N250-W254 PolarHBondContact O-N 2.74Å; E251-W254 PolarHBondContact O-N 2.79Å; K252-W254 VanDerWaalsContact C-N 3.3Å; K252-W254 PolarHBondContact O-N 2.63Å; W254-L256 PolarHBondContact O-N 3.26Å; W254-L256 VanDerWaalsContact O-N 3.17Å; W254-R257 VanDerWaalsContact CD2-CZ 3.45Å; W254-R257 WeakPolarHBondContact O-CG 3.41Å; W254-R257 PolarHBondContact O-N 3.43Å; W254-R257 PolarHBondContact O-NE 2.89Å; W254-R257 PolarHBondContact O-NH1 2.82Å; W254-R257 PolarHBondContact O-NH2 2.81Å; W254-M308 HydrophobicContact CB-SD 3.69Å; W254-M308 HydrophobicContact CD2-CG 3.81Å; W254-M308 HydrophobicContact CD2-SD 3.92Å; W254-M308 HydrophobicContact CG-CB 4.2Å; W254-M308 HydrophobicContact CG-CG 3.66Å; W254-M308 HydrophobicContact CG-SD 3.35Å; W254-M308 HydrophobicContact CZ2-CG 4.36Å; W254-M308 VanDerWaalsContact NE1-CB 3.28Å; W254-M308 VanDerWaalsContact NE1-CG 3.28Å; W254-M308 PolarHBondContact NE1-O 3.2Å; W254-E311 VanDerWaalsContact CZ2-OE2 3.24Å; W254-E311 WeakPolarHBondContact CZ2-OE2 3.28Å
255N97.6Very high97.1Very high103 Ų10344.3 Ų44.355%0.55121%0.213SC*.Hα-helixtrans-67.3-17.7179-72.7-53000114.5E251 K252 L253E251-N255 WeakPolarHBondContact O-CB 3.2Å; E251-N255 VanDerWaalsContact O-CG 3.3Å; E251-N255 PolarHBondContact O-N 2.84Å; E251-N255 PolarHBondContact O-ND2 3.47Å; K252-N255 PolarHBondContact O-N 2.79Å; L253-N255 PolarHBondContact O-N 2.91Å
256L97.4Very high97Very high39 Ų3944.9 Ų44.920%0.20422%0.216CC..THydrogen-bonded Turntrans-89.30.8-179.6-71.5173.9000113.8I199 K252 L253 W254 I268 W275I199-L256 HydrophobicContact CD1-CD1 3.98Å; K252-L256 HydrophobicContact CD-CD1 4.12Å; K252-L256 HydrophobicContact CD-CG 4.35Å; K252-L256 HydrophobicContact CG-CD1 4.08Å; K252-L256 VanDerWaalsContact O-CG 3.25Å; K252-L256 WeakPolarHBondContact O-CG 3.1Å; K252-L256 PolarHBondContact O-N 3.31Å; K252-L256 VanDerWaalsContact O-N 3.11Å; L253-L256 PolarHBondContact O-N 3.4Å; L253-L256 VanDerWaalsContact O-N 3.08Å; W254-L256 PolarHBondContact O-N 3.26Å; W254-L256 VanDerWaalsContact O-N 3.17Å; L256-I268 HydrophobicContact CD1-CD1 3.63Å; L256-W275 HydrophobicContact CB-CZ2 4.22Å; L256-W275 PolarHBondContact O-NE1 2.92Å
257R96.8Very high97Very high41 Ų4147.6 Ų47.616%0.15523%0.23CC..SBendtrans-49.4154.3173.2-76.6-174.1-60.1-80.3-5.6113.3W254 E259 G262 H264W254-R257 VanDerWaalsContact CD2-CZ 3.45Å; W254-R257 WeakPolarHBondContact O-CG 3.41Å; W254-R257 PolarHBondContact O-N 3.43Å; W254-R257 PolarHBondContact O-NE 2.89Å; W254-R257 PolarHBondContact O-NH1 2.82Å; W254-R257 PolarHBondContact O-NH2 2.81Å; R257-E259 PolarHBondContact O-N 3.14Å; R257-G262 WeakPolarHBondContact CD-O 3.07Å; R257-H264 WeakPolarHBondContact CG-CD2 3.38Å; R257-H264 VanDerWaalsContact CG-CE1 3.42Å; R257-H264 WeakPolarHBondContact CG-CE1 3.32Å; R257-H264 WeakPolarHBondContact CG-NE2 3.36Å
258N97.1Very high97Very high40 Ų4046 Ų4621%0.21422%0.224CC..  trans-59.2131.3170.2-174.6-87.1000111.5V260 T261 G262 L263 S342N258-V260 PolarHBondContact O-N 3.09Å; N258-V260 WeakPolarHBondContact OD1-CA 3.24Å; N258-V260 WeakPolarHBondContact OD1-CB 3.16Å; N258-V260 PolarHBondContact OD1-N 3.17Å; N258-T261 PolarHBondContact OD1-N 3.41Å; N258-T261 VanDerWaalsContact OD1-N 3.16Å; N258-G262 VanDerWaalsContact O-CA 3.25Å; N258-G262 WeakPolarHBondContact O-CA 3.33Å; N258-G262 PolarHBondContact O-N 3.42Å; N258-L263 PolarHBondContact N-O 2.87Å; N258-S342 VanDerWaalsContact CB-O 3.24Å; N258-S342 WeakPolarHBondContact CB-O 3.14Å
259E94.4Very high97Very high198 Ų19839.4 Ų39.493%0.92520%0.201SC*.THydrogen-bonded Turntrans-65.1-24.3-176.1-61.6-176.2165.600113.9R257R257-E259 PolarHBondContact O-N 3.14Å
260V94Very high97Very high110 Ų11039.3 Ų39.367%0.66720%0.201SC*.THydrogen-bonded Turntrans-89.9-55.2-176.7-178.70000110.8N258N258-V260 PolarHBondContact O-N 3.09Å; N258-V260 WeakPolarHBondContact OD1-CA 3.24Å; N258-V260 WeakPolarHBondContact OD1-CB 3.16Å; N258-V260 PolarHBondContact OD1-N 3.17Å
261T97.4Very high97Very high2 Ų241.9 Ų41.91%0.01221%0.213CC..THydrogen-bonded Turntrans-88.3-24.9-173.765.40000112.7N258 L263 R315 Y319 S342 R343N258-T261 PolarHBondContact OD1-N 3.41Å; N258-T261 VanDerWaalsContact OD1-N 3.16Å; T261-L263 VanDerWaalsContact C-N 3.29Å; T261-L263 WeakPolarHBondContact OG1-CB 3.4Å; T261-L263 PolarHBondContact OG1-N 3.4Å; T261-R315 WeakPolarHBondContact O-CD 2.99Å; T261-R315 WeakPolarHBondContact O-CG 3.39Å; T261-Y319 HydrophobicContact CG2-CE1 4.2Å; T261-Y319 WeakPolarHBondContact O-CE2 3.21Å; T261-S342 WeakPolarHBondContact CG2-O 3.31Å; T261-S342 PolarHBondContact OG1-O 3.13Å; T261-R343 WeakPolarHBondContact CG2-O 3.44Å
262G97Very high97Very high14 Ų1443.5 Ų43.514%0.14423%0.226CC..  trans64.732.6-166.600000112.8R257 N258 R315R257-G262 WeakPolarHBondContact CD-O 3.07Å; N258-G262 VanDerWaalsContact O-CA 3.25Å; N258-G262 WeakPolarHBondContact O-CA 3.33Å; N258-G262 PolarHBondContact O-N 3.42Å; G262-R315 WeakPolarHBondContact O-CG 3.33Å
263L97.5Very high96.9Very high1 Ų140.5 Ų40.51%0.00522%0.215CC..  trans-106.3156.5173.6-61.9-179.1000111.8N258 T261 A280 R315 Y319 M320 V340N258-L263 PolarHBondContact N-O 2.87Å; T261-L263 VanDerWaalsContact C-N 3.29Å; T261-L263 WeakPolarHBondContact OG1-CB 3.4Å; T261-L263 PolarHBondContact OG1-N 3.4Å; L263-A280 HydrophobicContact CB-CB 4.16Å; L263-A280 HydrophobicContact CD1-CB 4.04Å; L263-R315 HydrophobicContact CD2-CB 3.75Å; L263-Y319 HydrophobicContact CD1-CD2 4.49Å; L263-Y319 HydrophobicContact CD1-CG 4.33Å; L263-M320 HydrophobicContact CD1-CE 4.11Å; L263-M320 HydrophobicContact CD2-CE 3.85Å; L263-V340 HydrophobicContact CD1-CG2 3.6Å
264H96.1Very high96.8Very high0 Ų046.8 Ų46.80%024%0.244CC..  trans-94.5151.2172.2-51.689.8000109.3T220 L253 R257 W275 A280 F289T220-H264 HydrophobicContact CG2-CB 4.27Å; L253-H264 PolarHBondContact O-CD2 3.42Å; L253-H264 PolarHBondContact O-NE2 3.46Å; R257-H264 WeakPolarHBondContact CG-CD2 3.38Å; R257-H264 VanDerWaalsContact CG-CE1 3.42Å; R257-H264 WeakPolarHBondContact CG-CE1 3.32Å; R257-H264 WeakPolarHBondContact CG-NE2 3.36Å; H264-W275 HydrophobicContact CB-CH2 3.85Å; H264-W275 HydrophobicContact CB-CZ2 4.01Å; H264-W275 HydrophobicContact CB-CZ3 4.5Å; H264-A280 WeakPolarHBondContact O-CB 3.47Å; H264-F289 AromaticContact CD2-CE1 3.88Å; H264-F289 AromaticContact CE1-CE1 3.57Å; H264-F289 AromaticContact ND1-CE1 3.92Å; H264-F289 AromaticContact NE2-CE1 3.54Å
265G95.6Very high96.8Very high0 Ų047.2 Ų47.20%025%0.246CC..  trans-78.9179.4165.500000111.4T220 W275 G277 L279T220-G265 PolarHBondContact OG1-O 3.1Å; G265-W275 VanDerWaalsContact CA-CE3 3.47Å; G265-W275 VanDerWaalsContact O-CZ3 3.31Å; G265-W275 WeakPolarHBondContact O-CZ3 3.48Å; G265-G277 CarbonylContact C-O 3.57Å; G265-G277 WeakPolarHBondContact CA-O 3.43Å; G265-L279 CarbonylContact C-O 3.55Å
266N95.5Very high96.8Very high47 Ų4746.6 Ų46.625%0.25124%0.242SC..SBendtrans-97.9-14.9177.467.2-48.9000113.6C219 G277 L279 I286C219-N266 VanDerWaalsContact CA-O 3.23Å; C219-N266 WeakPolarHBondContact CA-O 3.18Å; C219-N266 VanDerWaalsContact CB-O 3.26Å; C219-N266 WeakPolarHBondContact CB-O 3.39Å; N266-G277 PolarHBondContact N-O 3.49Å; N266-G277 VanDerWaalsContact N-O 3.11Å; N266-G277 WeakPolarHBondContact OD1-CA 3.31Å; N266-G277 PolarHBondContact OD1-O 3.26Å; N266-L279 HydrophobicContact CB-CB 4.22Å; N266-L279 WeakPolarHBondContact CB-O 3.3Å; N266-L279 PolarHBondContact N-O 3.09Å; N266-L279 PolarHBondContact OD1-N 3.11Å; N266-I286 HydrophobicContact CB-CD1 3.93Å; N266-I286 HydrophobicContact CB-CG1 4.11Å
267L97Very high96.7Very high58 Ų5845.4 Ų45.430%0.30424%0.239SC..EExtended strand (participates in β ladder)trans-142.1127.7-179.6-170.174.9000110T218 W275 L276 G277T218-L267 WeakPolarHBondContact O-CA 3.34Å; L267-W275 CarbonylContact O-C 3.28Å; L267-W275 WeakPolarHBondContact O-CA 3.36Å; L267-L276 HydrophobicContact CB-CB 4.5Å; L267-L276 HydrophobicContact CD2-CB 4Å; L267-L276 HydrophobicContact CD2-CD1 4.33Å; L267-L276 HydrophobicContact CG-CB 4.26Å; L267-L276 PolarHBondContact O-N 3.45Å; L267-G277 PolarHBondContact O-N 3.4Å
268I97.8Very high96.7Very high0 Ų046.1 Ų46.10%024%0.244CC..EExtended strand (participates in β ladder)trans-124.9142.8-177-170.8162.7000111.4I199 S217 T218 L253 L256 W275I199-I268 HydrophobicContact CD1-CD1 3.8Å; S217-I268 VanDerWaalsContact CA-O 3.24Å; S217-I268 WeakPolarHBondContact CA-O 3.29Å; T218-I268 HydrophobicContact CG2-CG2 3.64Å; T218-I268 PolarHBondContact N-O 3.44Å; T218-I268 WeakPolarHBondContact O-CG2 3.45Å; T218-I268 PolarHBondContact O-N 2.93Å; L253-I268 HydrophobicContact CD2-CD1 4.32Å; L253-I268 HydrophobicContact CD2-CG2 4.44Å; L256-I268 HydrophobicContact CD1-CD1 3.63Å; I268-W275 HydrophobicContact CB-CD2 4.39Å; I268-W275 HydrophobicContact CB-CE3 3.69Å; I268-W275 HydrophobicContact CB-CH2 4.4Å; I268-W275 HydrophobicContact CB-CZ3 3.69Å; I268-W275 HydrophobicContact CD1-CD2 4.26Å; I268-W275 HydrophobicContact CD1-CE3 4.23Å; I268-W275 HydrophobicContact CD1-CH2 3.99Å; I268-W275 HydrophobicContact CD1-CZ2 4.02Å; I268-W275 HydrophobicContact CD1-CZ3 4.1Å; I268-W275 HydrophobicContact CG1-CD2 4.47Å; I268-W275 HydrophobicContact CG1-CE3 4.23Å; I268-W275 HydrophobicContact CG1-CZ3 4.37Å; I268-W275 HydrophobicContact CG2-CZ3 4.27Å
269D98.2Very high96.7Very high30 Ų3046.2 Ų46.216%0.1625%0.245CC..EExtended strand (participates in β ladder)trans-81.4121.2167.9-172.9-65.4000110.2N216 Q271 T272 G273 E274 L276N216-D269 CarbonylContact O-C 3.56Å; N216-D269 WeakPolarHBondContact O-CA 3.48Å; D269-Q271 PolarHBondContact O-N 3.48Å; D269-Q271 WeakPolarHBondContact OD1-CA 3.24Å; D269-Q271 VanDerWaalsContact OD1-CB 3.31Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.47Å; D269-Q271 PolarHBondContact OD1-N 3.18Å; D269-T272 WeakPolarHBondContact CB-OG1 3.26Å; D269-T272 PolarHBondContact OD1-N 2.86Å; D269-G273 VanDerWaalsContact O-CA 3.25Å; D269-G273 WeakPolarHBondContact O-CA 3.4Å; D269-G273 PolarHBondContact O-N 2.77Å; D269-E274 PolarHBondContact N-O 2.99Å; D269-L276 HydrophobicContact CB-CD1 4.07Å; D269-L276 HydrophobicContact CB-CD2 4.22Å; D269-L276 HydrophobicContact CB-CG 4.09Å
270I97.9Very high96.9Very high0 Ų036.8 Ų36.80%020%0.201CC..THydrogen-bonded Turntrans-74.6-12.2-174.872.9-171.9000113.3T195 T197 I199 Y201 N216 T218T195-I270 HydrophobicContact CG2-CD1 3.81Å; T195-I270 HydrophobicContact CG2-CG1 4.16Å; T197-I270 WeakPolarHBondContact CB-O 3.17Å; T197-I270 VanDerWaalsContact CG2-O 3.22Å; T197-I270 WeakPolarHBondContact CG2-O 3.14Å; T197-I270 PolarHBondContact N-O 3.29Å; T197-I270 PolarHBondContact OG1-O 3.42Å; I199-I270 HydrophobicContact CB-CB 4.4Å; I199-I270 HydrophobicContact CB-CG2 4.27Å; I199-I270 HydrophobicContact CG2-CG2 3.87Å; Y201-I270 HydrophobicContact CD1-CD1 3.45Å; Y201-I270 VanDerWaalsContact CD1-CD1 3.45Å; Y201-I270 HydrophobicContact CD2-CD1 3.98Å; Y201-I270 HydrophobicContact CE1-CD1 3.57Å; Y201-I270 HydrophobicContact CE2-CD1 4.07Å; Y201-I270 HydrophobicContact CG-CD1 3.66Å; N216-I270 HydrophobicContact CB-CD1 4.42Å; N216-I270 HydrophobicContact CB-CG1 4.12Å; N216-I270 WeakPolarHBondContact O-CG1 3.34Å; N216-I270 PolarHBondContact O-N 3.28Å; T218-I270 HydrophobicContact CG2-CG2 3.65Å
271Q97.4Very high97Very high54 Ų5431.7 Ų31.725%0.25217%0.17SC..THydrogen-bonded Turntrans-94.8-44.3177.6-57.2-61.5-17.800111G194 A196 Y201 N216 D269G194-Q271 PolarHBondContact O-NE2 2.98Å; G194-Q271 PolarHBondContact O-OE1 3.35Å; A196-Q271 VanDerWaalsContact CB-O 3.31Å; A196-Q271 WeakPolarHBondContact CB-O 3.46Å; Y201-Q271 PolarHBondContact OH-NE2 3.09Å; N216-Q271 HydrophobicContact CB-CG 4.15Å; D269-Q271 PolarHBondContact O-N 3.48Å; D269-Q271 WeakPolarHBondContact OD1-CA 3.24Å; D269-Q271 VanDerWaalsContact OD1-CB 3.31Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.47Å; D269-Q271 PolarHBondContact OD1-N 3.18Å
272T97.6Very high96.9Very high84 Ų8431.6 Ų31.652%0.51517%0.169SC..THydrogen-bonded Turntrans-91.8-27.5-177.968.10000113D269 E274D269-T272 WeakPolarHBondContact CB-OG1 3.26Å; D269-T272 PolarHBondContact OD1-N 2.86Å; T272-E274 WeakPolarHBondContact OG1-CB 3.34Å; T272-E274 WeakPolarHBondContact OG1-CG 3.34Å; T272-E274 PolarHBondContact OG1-N 2.89Å; T272-E274 VanDerWaalsContact OG1-N 3.1Å
273G96.9Very high96.8Very high7 Ų731.1 Ų31.17%0.07216%0.164CC..  trans75.99.8-168.600000113.4D269D269-G273 VanDerWaalsContact O-CA 3.25Å; D269-G273 WeakPolarHBondContact O-CA 3.4Å; D269-G273 PolarHBondContact O-N 2.77Å
274E97Very high96.7Very high132 Ų13233.3 Ų33.362%0.61718%0.182SC*.  trans-79.9136.6176-66.3-175.6158.900111D269 T272 L276D269-E274 PolarHBondContact N-O 2.99Å; T272-E274 WeakPolarHBondContact OG1-CB 3.34Å; T272-E274 WeakPolarHBondContact OG1-CG 3.34Å; T272-E274 PolarHBondContact OG1-N 2.89Å; T272-E274 VanDerWaalsContact OG1-N 3.1Å; E274-L276 PolarHBondContact O-N 3.39Å
275W97.4Very high96.5Very high32 Ų3234.1 Ų34.112%0.12119%0.191CC..EExtended strand (participates in β ladder)trans-72.3113.2171-61.6102.8000109.8T220 L253 L256 H264 G265 L267 I268 H278T220-W275 VanDerWaalsContact OG1-CZ3 3.25Å; T220-W275 WeakPolarHBondContact OG1-CZ3 3.47Å; L253-W275 HydrophobicContact CD2-CH2 4.14Å; L256-W275 HydrophobicContact CB-CZ2 4.22Å; L256-W275 PolarHBondContact O-NE1 2.92Å; H264-W275 HydrophobicContact CB-CH2 3.85Å; H264-W275 HydrophobicContact CB-CZ2 4.01Å; H264-W275 HydrophobicContact CB-CZ3 4.5Å; G265-W275 VanDerWaalsContact CA-CE3 3.47Å; G265-W275 VanDerWaalsContact O-CZ3 3.31Å; G265-W275 WeakPolarHBondContact O-CZ3 3.48Å; L267-W275 CarbonylContact O-C 3.28Å; L267-W275 WeakPolarHBondContact O-CA 3.36Å; I268-W275 HydrophobicContact CB-CD2 4.39Å; I268-W275 HydrophobicContact CB-CE3 3.69Å; I268-W275 HydrophobicContact CB-CH2 4.4Å; I268-W275 HydrophobicContact CB-CZ3 3.69Å; I268-W275 HydrophobicContact CD1-CD2 4.26Å; I268-W275 HydrophobicContact CD1-CE3 4.23Å; I268-W275 HydrophobicContact CD1-CH2 3.99Å; I268-W275 HydrophobicContact CD1-CZ2 4.02Å; I268-W275 HydrophobicContact CD1-CZ3 4.1Å; I268-W275 HydrophobicContact CG1-CD2 4.47Å; I268-W275 HydrophobicContact CG1-CE3 4.23Å; I268-W275 HydrophobicContact CG1-CZ3 4.37Å; I268-W275 HydrophobicContact CG2-CZ3 4.27Å; W275-H278 PolarHBondContact O-CE1 2.63Å
276L97.1Very high96.5Very high90 Ų9034.3 Ų34.347%0.47119%0.192SC..EExtended strand (participates in β ladder)trans-80.3-32174.1-57.8178.5000111.5L267 D269 E274L267-L276 HydrophobicContact CB-CB 4.5Å; L267-L276 HydrophobicContact CD2-CB 4Å; L267-L276 HydrophobicContact CD2-CD1 4.33Å; L267-L276 HydrophobicContact CG-CB 4.26Å; L267-L276 PolarHBondContact O-N 3.45Å; D269-L276 HydrophobicContact CB-CD1 4.07Å; D269-L276 HydrophobicContact CB-CD2 4.22Å; D269-L276 HydrophobicContact CB-CG 4.09Å; E274-L276 PolarHBondContact O-N 3.39Å
277G95.9Very high96.4Very high13 Ų1333 Ų3313%0.13419%0.185CC..EExtended strand (participates in β ladder)trans-116126.8175.900000109.9G265 N266 L267G265-G277 CarbonylContact C-O 3.57Å; G265-G277 WeakPolarHBondContact CA-O 3.43Å; N266-G277 PolarHBondContact N-O 3.49Å; N266-G277 VanDerWaalsContact N-O 3.11Å; N266-G277 WeakPolarHBondContact OD1-CA 3.31Å; N266-G277 PolarHBondContact OD1-O 3.26Å; L267-G277 PolarHBondContact O-N 3.4Å
278H96.4Very high96.5Very high57 Ų5730.3 Ų30.326%0.26417%0.171SC..  trans-103.67-175.5-62.9-60.4000113.8W275 A280 S342W275-H278 PolarHBondContact O-CE1 2.63Å; H278-A280 PolarHBondContact O-N 3.23Å; H278-S342 WeakPolarHBondContact CA-OG 3.48Å; H278-S342 WeakPolarHBondContact CB-OG 3.36Å; H278-S342 WeakPolarHBondContact O-CB 3.49Å; H278-S342 PolarHBondContact O-N 3.43Å; H278-S342 PolarHBondContact O-OG 2.89Å
279L97.2Very high96.4Very high42 Ų4230.3 Ų30.322%0.2217%0.171CC..EExtended strand (participates in β ladder)trans-65.9127.5174.3-170.272.5000108.2G265 N266 I286 N339 W351G265-L279 CarbonylContact C-O 3.55Å; N266-L279 HydrophobicContact CB-CB 4.22Å; N266-L279 WeakPolarHBondContact CB-O 3.3Å; N266-L279 PolarHBondContact N-O 3.09Å; N266-L279 PolarHBondContact OD1-N 3.11Å; L279-I286 WeakPolarHBondContact O-CD1 3.15Å; L279-N339 HydrophobicContact CD1-CB 3.83Å; L279-N339 HydrophobicContact CG-CB 4.47Å; L279-W351 HydrophobicContact CD2-CH2 4.14Å; L279-W351 HydrophobicContact CD2-CZ2 4.32Å
280A97.3Very high96.4Very high0 Ų029 Ų290%016%0.164CC..EExtended strand (participates in β ladder)trans-119.2132171.500000108.5L263 H264 H278 M320 N339 V340L263-A280 HydrophobicContact CB-CB 4.16Å; L263-A280 HydrophobicContact CD1-CB 4.04Å; H264-A280 WeakPolarHBondContact O-CB 3.47Å; H278-A280 PolarHBondContact O-N 3.23Å; A280-M320 HydrophobicContact CB-CE 3.64Å; A280-N339 CarbonylContact O-C 3.58Å; A280-N339 WeakPolarHBondContact O-CA 3.25Å; A280-V340 HydrophobicContact CB-CG2 4.06Å; A280-V340 PolarHBondContact N-O 2.74Å; A280-V340 PolarHBondContact O-N 2.98Å
281G96.2Very high96.4Very high2 Ų229.1 Ų29.12%0.02116%0.164CC..  trans-165.2-172.7-175.100000110.8N339G281-N339 WeakPolarHBondContact CA-OD1 3.13Å
282L96.8Very high96.4Very high1 Ų126.5 Ų26.51%0.00515%0.152CC..SBendtrans-115.311-179.1-61.9-179.1000112.5Y290 I316 M320 Y337 Q356 F359L282-Y290 HydrophobicContact CD2-CD2 4.02Å; L282-Y290 HydrophobicContact CD2-CE2 3.94Å; L282-I316 HydrophobicContact CD1-CG2 4.02Å; L282-I316 HydrophobicContact CD2-CD1 3.81Å; L282-I316 HydrophobicContact CD2-CG1 4.08Å; L282-I316 HydrophobicContact CD2-CG2 3.86Å; L282-I316 HydrophobicContact CG-CG2 4.36Å; L282-M320 HydrophobicContact CD2-SD 4.03Å; L282-M320 HydrophobicContact CG-SD 4.03Å; L282-Y337 HydrophobicContact CD1-CD1 3.64Å; L282-Y337 HydrophobicContact CD1-CD2 4.18Å; L282-Y337 HydrophobicContact CD1-CE1 4.34Å; L282-Y337 HydrophobicContact CD1-CG 3.53Å; L282-Q356 HydrophobicContact CB-CG 3.73Å; L282-Q356 WeakPolarHBondContact O-CA 3.34Å; L282-F359 HydrophobicContact CB-CD2 4.46Å; L282-F359 HydrophobicContact CB-CG 4.4Å; L282-F359 HydrophobicContact CD1-CD1 3.54Å; L282-F359 HydrophobicContact CD1-CD2 4.2Å; L282-F359 HydrophobicContact CD1-CE1 3.6Å; L282-F359 HydrophobicContact CD1-CE2 4.27Å; L282-F359 HydrophobicContact CD1-CG 3.84Å; L282-F359 HydrophobicContact CD1-CZ 3.98Å; L282-F359 HydrophobicContact CD2-CD2 4.04Å; L282-F359 HydrophobicContact CD2-CE1 4.46Å; L282-F359 HydrophobicContact CD2-CE2 3.76Å; L282-F359 HydrophobicContact CD2-CZ 3.98Å; L282-F359 HydrophobicContact CG-CD2 4.47Å; L282-F359 HydrophobicContact CG-CG 4.49Å
283G94.6Very high96.4Very high3 Ų322.5 Ų22.53%0.03113%0.128CC..SBendtrans-113.9-148.6178.800000111.9G285 I286 D287 D353G283-G285 PolarHBondContact O-N 2.71Å; G283-I286 PolarHBondContact O-N 2.89Å; G283-D287 VanDerWaalsContact C-OD2 3.27Å; G283-D287 VanDerWaalsContact O-CG 3.31Å; G283-D287 PolarHBondContact O-N 3Å; G283-D353 WeakPolarHBondContact CA-OD1 3.38Å; G283-D353 WeakPolarHBondContact CA-OD2 3.16Å
284A93.9Very high96.4Very high47 Ų4722.6 Ų22.639%0.38813%0.126SC..THydrogen-bonded Turntrans-50.7123.4-164.400000113.8D353 L355A284-D353 PolarHBondContact N-OD2 2.67Å; A284-L355 HydrophobicContact CB-CD1 4.2Å; A284-L355 HydrophobicContact CB-CD2 4.04Å
285G93.3Very high96.5Very high18 Ų1816.5 Ų16.519%0.18610%0.098CC..THydrogen-bonded Turntrans90.21.1174.300000115.3T220 S221 G283T220-G285 WeakPolarHBondContact CB-O 3.46Å; T220-G285 PolarHBondContact N-O 2.99Å; T220-G285 VanDerWaalsContact N-O 3.09Å; S221-G285 PolarHBondContact N-O 2.81Å; S221-G285 VanDerWaalsContact OG-C 3.24Å; G283-G285 PolarHBondContact O-N 2.71Å
286I95.2Very high96.5Very high4 Ų415 Ų152%0.0219%0.092CC..THydrogen-bonded Turntrans-137-38.9174.2-50.1174.5000112.7T220 S221 N266 L279 G283 S288 F289 Y290T220-I286 HydrophobicContact CG2-CG2 4.27Å; S221-I286 WeakPolarHBondContact OG-CA 3.43Å; S221-I286 PolarHBondContact OG-N 2.73Å; S221-I286 PolarHBondContact OG-O 3.06Å; N266-I286 HydrophobicContact CB-CD1 3.93Å; N266-I286 HydrophobicContact CB-CG1 4.11Å; L279-I286 WeakPolarHBondContact O-CD1 3.15Å; G283-I286 PolarHBondContact O-N 2.89Å; I286-S288 PolarHBondContact O-N 3.21Å; I286-F289 VanDerWaalsContact O-CB 3.3Å; I286-F289 WeakPolarHBondContact O-CB 3.34Å; I286-F289 PolarHBondContact O-N 2.91Å; I286-Y290 HydrophobicContact CG2-CD2 4.17Å; I286-Y290 HydrophobicContact CG2-CE2 3.38Å
287D94.1Very high96.5Very high19 Ų1914.3 Ų14.310%0.1028%0.084CC..Hα-helixtrans-20.5-78.4172.744.522.7000116.9S221 G283 F289 Y290 E291S221-D287 PolarHBondContact OG-N 2.7Å; S221-D287 PolarHBondContact OG-OD1 2.96Å; G283-D287 VanDerWaalsContact C-OD2 3.27Å; G283-D287 VanDerWaalsContact O-CG 3.31Å; G283-D287 PolarHBondContact O-N 3Å; D287-F289 PolarHBondContact O-N 3.5Å; D287-F289 VanDerWaalsContact O-N 3.12Å; D287-Y290 PolarHBondContact O-N 2.85Å; D287-E291 PolarHBondContact O-N 3.35Å
288S97.3Very high96.6Very high2 Ų217.4 Ų17.41%0.01410%0.096CC..Hα-helixtrans-68.8-14-168.363.10000113.1S221 S225 I286 E291 Y292S221-S288 VanDerWaalsContact CB-OG 3.3Å; S221-S288 WeakPolarHBondContact CB-OG 3.25Å; S221-S288 PolarHBondContact OG-N 2.92Å; S221-S288 PolarHBondContact OG-OG 2.83Å; S225-S288 WeakPolarHBondContact CB-OG 3.38Å; S225-S288 PolarHBondContact OG-OG 3.44Å; I286-S288 PolarHBondContact O-N 3.21Å; S288-E291 PolarHBondContact O-N 2.87Å; S288-Y292 WeakPolarHBondContact O-CB 3.41Å; S288-Y292 WeakPolarHBondContact O-CD1 3.47Å; S288-Y292 PolarHBondContact O-N 3.04Å
289F97.3Very high96.6Very high0 Ų018.2 Ų18.20%010%0.103CC..Hα-helixtrans-64.1-41.6170.3179.6-127.8000111.9T220 S225 N250 L253 H264 I286 D287 M293T220-F289 HydrophobicContact CG2-CB 3.92Å; T220-F289 HydrophobicContact CG2-CD1 3.34Å; T220-F289 HydrophobicContact CG2-CE1 3.85Å; T220-F289 HydrophobicContact CG2-CG 3.71Å; S225-F289 PolarHBondContact OG-N 3.35Å; N250-F289 HydrophobicContact CB-CE2 4.28Å; L253-F289 HydrophobicContact CB-CE1 4.35Å; L253-F289 HydrophobicContact CB-CE2 4.09Å; L253-F289 HydrophobicContact CB-CZ 3.59Å; L253-F289 HydrophobicContact CD1-CD2 4.36Å; L253-F289 HydrophobicContact CD1-CE2 3.84Å; L253-F289 HydrophobicContact CD1-CZ 4.12Å; H264-F289 AromaticContact CD2-CE1 3.88Å; H264-F289 AromaticContact CE1-CE1 3.57Å; H264-F289 AromaticContact ND1-CE1 3.92Å; H264-F289 AromaticContact NE2-CE1 3.54Å; I286-F289 VanDerWaalsContact O-CB 3.3Å; I286-F289 WeakPolarHBondContact O-CB 3.34Å; I286-F289 PolarHBondContact O-N 2.91Å; D287-F289 PolarHBondContact O-N 3.5Å; D287-F289 VanDerWaalsContact O-N 3.12Å; F289-M293 HydrophobicContact CD1-CE 3.78Å; F289-M293 HydrophobicContact CD2-CE 4.11Å; F289-M293 HydrophobicContact CE1-CE 3.16Å; F289-M293 HydrophobicContact CE2-CE 3.54Å; F289-M293 HydrophobicContact CG-CE 4.24Å; F289-M293 HydrophobicContact CZ-CE 3.04Å; F289-M293 WeakPolarHBondContact O-CG 3.25Å; F289-M293 PolarHBondContact O-N 3.49Å
290Y96.8Very high96.6Very high2 Ų218.4 Ų18.41%0.00810%0.102CC..Hα-helixtrans-70.3-40.7176.1-61.5-57.3000111.4L282 I286 D287 Y292 M293 L294 Y309 I316L282-Y290 HydrophobicContact CD2-CD2 4.02Å; L282-Y290 HydrophobicContact CD2-CE2 3.94Å; I286-Y290 HydrophobicContact CG2-CD2 4.17Å; I286-Y290 HydrophobicContact CG2-CE2 3.38Å; D287-Y290 PolarHBondContact O-N 2.85Å; Y290-Y292 VanDerWaalsContact C-N 3.34Å; Y290-Y292 PolarHBondContact O-N 3.47Å; Y290-M293 PolarHBondContact O-N 2.95Å; Y290-L294 PolarHBondContact O-N 3.4Å; Y290-Y309 WeakPolarHBondContact O-CD2 3.33Å; Y290-I316 HydrophobicContact CD1-CD1 3.9Å; Y290-I316 HydrophobicContact CD2-CD1 4.03Å; Y290-I316 HydrophobicContact CE1-CD1 3.78Å; Y290-I316 HydrophobicContact CE2-CD1 3.89Å; Y290-I316 HydrophobicContact CG-CD1 4.01Å
291E98.3Very high96.5Very high2 Ų221 Ų211%0.00913%0.129CC..Hα-helixtrans-56.4-47.9174.3-174.5-163.814500111.2D287 S288 M293 L294 K295 V362 T497D287-E291 PolarHBondContact O-N 3.35Å; S288-E291 PolarHBondContact O-N 2.87Å; E291-M293 PolarHBondContact O-N 2.9Å; E291-L294 PolarHBondContact O-N 3.39Å; E291-K295 HydrophobicContact CG-CD 3.71Å; E291-K295 HydrophobicContact CG-CG 4.1Å; E291-K295 WeakPolarHBondContact O-CB 3.39Å; E291-K295 WeakPolarHBondContact O-CG 3.38Å; E291-K295 PolarHBondContact O-N 3.44Å; E291-K295 WeakPolarHBondContact OE1-CD 3.19Å; E291-K295 WeakPolarHBondContact OE1-CE 3.36Å; E291-K295 IonicContact OE1-NZ 3.6Å; E291-K295 PolarHBondContact OE1-NZ 2.91Å; E291-V362 HydrophobicContact CB-CG2 3.93Å; E291-V362 HydrophobicContact CG-CG2 4.01Å; E291-T497 WeakPolarHBondContact OE1-CA 3.49Å; E291-T497 WeakPolarHBondContact OE1-CB 3.3Å; E291-T497 PolarHBondContact OE1-N 3.37Å; E291-T497 WeakPolarHBondContact OE2-CB 3.03Å; E291-T497 PolarHBondContact OE2-OG1 3.17Å
292Y98.1Very high96.6Very high0 Ų023.9 Ų23.90%014%0.143CC..Hα-helixtrans-69.2-30.2-176.7-90.244.9000113I145 S225 L227 L228 E229 S288 Y290 L294 S296 T497I145-Y292 WeakPolarHBondContact CG2-OH 3.5Å; S225-Y292 VanDerWaalsContact C-CD2 3.47Å; S225-Y292 VanDerWaalsContact CA-CD2 3.41Å; S225-Y292 VanDerWaalsContact O-CE2 3.22Å; S225-Y292 WeakPolarHBondContact O-CE2 3.01Å; L227-Y292 HydrophobicContact CB-CD2 4.28Å; L228-Y292 HydrophobicContact CB-CD2 4.33Å; L228-Y292 HydrophobicContact CB-CE2 3.83Å; L228-Y292 HydrophobicContact CD1-CD1 4Å; L228-Y292 HydrophobicContact CD1-CD2 4.32Å; L228-Y292 HydrophobicContact CD1-CE1 3.7Å; L228-Y292 HydrophobicContact CD1-CE2 4.07Å; L228-Y292 HydrophobicContact CD1-CG 4.31Å; L228-Y292 HydrophobicContact CG-CD1 4.34Å; L228-Y292 HydrophobicContact CG-CD2 3.79Å; L228-Y292 HydrophobicContact CG-CE1 4.22Å; L228-Y292 HydrophobicContact CG-CE2 3.69Å; L228-Y292 HydrophobicContact CG-CG 4.15Å; E229-Y292 VanDerWaalsContact CD-OH 3.31Å; E229-Y292 PolarHBondContact OE1-OH 2.86Å; E229-Y292 WeakPolarHBondContact OE2-CE2 3.05Å; E229-Y292 PolarHBondContact OE2-OH 3.36Å; E229-Y292 VanDerWaalsContact OE2-OH 3.1Å; S288-Y292 WeakPolarHBondContact O-CB 3.41Å; S288-Y292 WeakPolarHBondContact O-CD1 3.47Å; S288-Y292 PolarHBondContact O-N 3.04Å; Y290-Y292 VanDerWaalsContact C-N 3.34Å; Y290-Y292 PolarHBondContact O-N 3.47Å; Y292-L294 VanDerWaalsContact C-N 3.34Å; Y292-S296 WeakPolarHBondContact O-CB 3.24Å; Y292-S296 PolarHBondContact O-N 2.89Å; Y292-S296 PolarHBondContact O-OG 3.16Å; Y292-T497 HydrophobicContact CE1-CG2 3.83Å
293M96.8Very high96.6Very high0 Ų028.1 Ų28.10%016%0.163CC..Hα-helixtrans-60.4-46.7171-68.5-177.8-17100111F289 Y290 E291 Y297 D305 M308 Y309F289-M293 HydrophobicContact CD1-CE 3.78Å; F289-M293 HydrophobicContact CD2-CE 4.11Å; F289-M293 HydrophobicContact CE1-CE 3.16Å; F289-M293 HydrophobicContact CE2-CE 3.54Å; F289-M293 HydrophobicContact CG-CE 4.24Å; F289-M293 HydrophobicContact CZ-CE 3.04Å; F289-M293 WeakPolarHBondContact O-CG 3.25Å; F289-M293 PolarHBondContact O-N 3.49Å; Y290-M293 PolarHBondContact O-N 2.95Å; E291-M293 PolarHBondContact O-N 2.9Å; M293-Y297 PolarHBondContact O-N 3.05Å; M293-D305 WeakPolarHBondContact O-CB 3.47Å; M293-M308 HydrophobicContact CG-CB 4.47Å; M293-M308 HydrophobicContact SD-CB 3.8Å; M293-Y309 HydrophobicContact CB-CD2 4.46Å
294L98.3Very high96.7Very high8 Ų831.4 Ų31.44%0.04218%0.175CC..Hα-helixtrans-70.8-50.6179.9-179.660.9000111.8Y290 E291 Y292 S296 Y297 I298 L306 Y309 V362 L365 A366Y290-L294 PolarHBondContact O-N 3.4Å; E291-L294 PolarHBondContact O-N 3.39Å; Y292-L294 VanDerWaalsContact C-N 3.34Å; L294-S296 VanDerWaalsContact C-N 3.28Å; L294-S296 PolarHBondContact O-N 3.33Å; L294-Y297 WeakPolarHBondContact O-CB 3.46Å; L294-Y297 PolarHBondContact O-N 3.47Å; L294-Y297 VanDerWaalsContact O-N 3.15Å; L294-I298 HydrophobicContact CD1-CD1 4.38Å; L294-I298 HydrophobicContact CG-CD1 4.08Å; L294-I298 WeakPolarHBondContact O-CG1 3.24Å; L294-I298 PolarHBondContact O-N 2.88Å; L294-I298 VanDerWaalsContact O-N 3.09Å; L294-L306 HydrophobicContact CD1-CD1 4.36Å; L294-Y309 HydrophobicContact CB-CD1 4.37Å; L294-Y309 HydrophobicContact CB-CD2 3.76Å; L294-Y309 HydrophobicContact CB-CE2 3.97Å; L294-Y309 HydrophobicContact CB-CG 3.98Å; L294-Y309 HydrophobicContact CD1-CD1 4.05Å; L294-Y309 HydrophobicContact CD1-CE1 4.16Å; L294-Y309 HydrophobicContact CD1-CG 4.44Å; L294-Y309 HydrophobicContact CD2-CE1 4.22Å; L294-Y309 HydrophobicContact CD2-CE2 4.23Å; L294-V362 HydrophobicContact CD2-CG1 4.1Å; L294-L365 HydrophobicContact CD2-CB 3.72Å; L294-A366 HydrophobicContact CD2-CB 3.93Å
295K98.3Very high96.9Very high4 Ų429.3 Ų29.32%0.01716%0.157CC..Hα-helixtrans-62.9-34.1-178.3-72.3-167.3178.5175.40111.8L228 E291 Y297 I298 L299 L365 E413 L494 F495 S496L228-K295 HydrophobicContact CD1-CB 3.92Å; L228-K295 HydrophobicContact CD1-CD 4.18Å; L228-K295 HydrophobicContact CD2-CB 4.08Å; E291-K295 HydrophobicContact CG-CD 3.71Å; E291-K295 HydrophobicContact CG-CG 4.1Å; E291-K295 WeakPolarHBondContact O-CB 3.39Å; E291-K295 WeakPolarHBondContact O-CG 3.38Å; E291-K295 PolarHBondContact O-N 3.44Å; E291-K295 WeakPolarHBondContact OE1-CD 3.19Å; E291-K295 WeakPolarHBondContact OE1-CE 3.36Å; E291-K295 IonicContact OE1-NZ 3.6Å; E291-K295 PolarHBondContact OE1-NZ 2.91Å; K295-Y297 PolarHBondContact O-N 2.93Å; K295-I298 PolarHBondContact O-N 2.94Å; K295-L299 WeakPolarHBondContact O-CB 3.16Å; K295-L299 PolarHBondContact O-N 3.05Å; K295-L365 HydrophobicContact CG-CD1 4.16Å; K295-E413 IonicContact NZ-OE1 3.69Å; K295-L494 HydrophobicContact CB-CD2 4.05Å; K295-L494 HydrophobicContact CD-CD1 4.32Å; K295-L494 HydrophobicContact CG-CD1 4.18Å; K295-L494 HydrophobicContact CG-CD2 4.48Å; K295-L494 WeakPolarHBondContact O-CD2 3.28Å; K295-F495 VanDerWaalsContact CD-O 3.24Å; K295-F495 WeakPolarHBondContact CD-O 3.41Å; K295-F495 VanDerWaalsContact CE-O 3.26Å; K295-F495 WeakPolarHBondContact CE-O 3.31Å; K295-F495 PolarHBondContact NZ-O 2.91Å; K295-S496 PolarHBondContact NZ-O 2.73Å
296S97.7Very high97.1Very high0 Ų029.8 Ų29.80%016%0.155CC..Hα-helixtrans-67.3-35.8175.8-620000112.8L227 Y292 L294 F300 D305L227-S296 VanDerWaalsContact CD2-OG 3.23Å; L227-S296 WeakPolarHBondContact CD2-OG 3.43Å; L227-S296 WeakPolarHBondContact CG-OG 3.42Å; Y292-S296 WeakPolarHBondContact O-CB 3.24Å; Y292-S296 PolarHBondContact O-N 2.89Å; Y292-S296 PolarHBondContact O-OG 3.16Å; L294-S296 VanDerWaalsContact C-N 3.28Å; L294-S296 PolarHBondContact O-N 3.33Å; S296-F300 WeakPolarHBondContact O-CB 3.47Å; S296-F300 WeakPolarHBondContact O-CD2 3.49Å; S296-F300 PolarHBondContact O-N 3.38Å; S296-D305 WeakPolarHBondContact CB-OD2 3.26Å
297Y97.9Very high97.3Very high76 Ų7632.6 Ų32.630%0.29817%0.17SC..Hα-helixtrans-63.4-46.8170.4169.7-105.3000111.3M293 L294 K295 L299 G301 N302 L306M293-Y297 PolarHBondContact O-N 3.05Å; L294-Y297 WeakPolarHBondContact O-CB 3.46Å; L294-Y297 PolarHBondContact O-N 3.47Å; L294-Y297 VanDerWaalsContact O-N 3.15Å; K295-Y297 PolarHBondContact O-N 2.93Å; Y297-L299 VanDerWaalsContact C-N 3.3Å; Y297-L299 PolarHBondContact O-N 3.41Å; Y297-G301 WeakPolarHBondContact O-CA 3.37Å; Y297-G301 PolarHBondContact O-N 3.49Å; Y297-N302 WeakPolarHBondContact CD2-O 3.33Å; Y297-L306 HydrophobicContact CD1-CB 4.04Å; Y297-L306 HydrophobicContact CD1-CD1 4.31Å; Y297-L306 HydrophobicContact CD1-CD2 4.01Å; Y297-L306 HydrophobicContact CD1-CG 4.34Å; Y297-L306 HydrophobicContact CD2-CB 3.61Å; Y297-L306 HydrophobicContact CD2-CD2 4.26Å; Y297-L306 HydrophobicContact CE1-CB 4.45Å; Y297-L306 HydrophobicContact CE1-CD2 3.62Å; Y297-L306 HydrophobicContact CE1-CG 4.44Å; Y297-L306 HydrophobicContact CE2-CB 4.03Å; Y297-L306 HydrophobicContact CE2-CD2 3.88Å; Y297-L306 HydrophobicContact CG-CB 3.59Å; Y297-L306 HydrophobicContact CG-CD2 4.3Å; Y297-L306 HydrophobicContact CG-CG 4.37Å
298I97Very high97.5Very high78 Ų7831.8 Ų31.840%0.417%0.166SC..Hα-helixtrans-59.5-44179.6-64.5168.5000110.5L294 K295 L365 L494L294-I298 HydrophobicContact CD1-CD1 4.38Å; L294-I298 HydrophobicContact CG-CD1 4.08Å; L294-I298 WeakPolarHBondContact O-CG1 3.24Å; L294-I298 PolarHBondContact O-N 2.88Å; L294-I298 VanDerWaalsContact O-N 3.09Å; K295-I298 PolarHBondContact O-N 2.94Å; I298-L365 HydrophobicContact CD1-CB 4.32Å; I298-L494 HydrophobicContact CB-CD2 4.31Å; I298-L494 HydrophobicContact CG2-CD1 4.13Å; I298-L494 HydrophobicContact CG2-CD2 4.17Å
299L96.5Very high97.5Very high75 Ų7531.8 Ų31.839%0.39317%0.166SC..Hα-helixtrans-77.9-42.6-175.1-168.856.8000113.7L228 V232 K295 Y297 L494L228-L299 HydrophobicContact CD2-CB 4.45Å; L228-L299 HydrophobicContact CD2-CD2 3.94Å; V232-L299 HydrophobicContact CG2-CD2 3.83Å; K295-L299 WeakPolarHBondContact O-CB 3.16Å; K295-L299 PolarHBondContact O-N 3.05Å; Y297-L299 VanDerWaalsContact C-N 3.3Å; Y297-L299 PolarHBondContact O-N 3.41Å; L299-L494 HydrophobicContact CB-CD2 3.74Å; L299-L494 HydrophobicContact CD1-CD2 4.33Å; L299-L494 HydrophobicContact CD2-CD2 4.49Å; L299-L494 HydrophobicContact CG-CD2 4.41Å
300F96.6Very high97.6Very high46 Ų4635.5 Ų35.520%0.20219%0.185CC..Hα-helixtrans-109.9-10.9-170.3-54.2-58.1000114.2L228 V232 S296 N302L228-F300 HydrophobicContact CD2-CE2 4.26Å; V232-F300 HydrophobicContact CG2-CE1 4.41Å; V232-F300 HydrophobicContact CG2-CZ 4.29Å; S296-F300 WeakPolarHBondContact O-CB 3.47Å; S296-F300 WeakPolarHBondContact O-CD2 3.49Å; S296-F300 PolarHBondContact O-N 3.38Å; F300-N302 VanDerWaalsContact C-N 3.28Å; F300-N302 PolarHBondContact O-N 2.94Å
301G96.4Very high97.6Very high55 Ų5540 Ų4057%0.56721%0.206SC*.  trans7115.7178.500000114.9Y297 Q303Y297-G301 WeakPolarHBondContact O-CA 3.37Å; Y297-G301 PolarHBondContact O-N 3.49Å; G301-Q303 PolarHBondContact O-N 3.34Å
302N96.8Very high97.6Very high61 Ų6140 Ų4033%0.32621%0.206SC..  trans-81.6107.8-179-175.2-8.5000111.1R247 Y297 F300 R304 D305R247-N302 PolarHBondContact NH1-ND2 2.84Å; Y297-N302 WeakPolarHBondContact CD2-O 3.33Å; F300-N302 VanDerWaalsContact C-N 3.28Å; F300-N302 PolarHBondContact O-N 2.94Å; N302-R304 PolarHBondContact O-N 3.11Å; N302-R304 WeakPolarHBondContact OD1-CB 3.48Å; N302-R304 PolarHBondContact OD1-N 2.88Å; N302-R304 VanDerWaalsContact OD1-N 3.09Å; N302-D305 PolarHBondContact O-N 3.31Å
303Q97.6Very high97.6Very high91 Ų9141.2 Ų41.243%0.42521%0.212SC..Hα-helixtrans-53.4-31.4-177.9-172.857.246.800113.7G301 D305 L306 D307G301-Q303 PolarHBondContact O-N 3.34Å; Q303-D305 VanDerWaalsContact C-N 3.27Å; Q303-D305 PolarHBondContact O-N 2.89Å; Q303-L306 PolarHBondContact O-N 3.4Å; Q303-D307 PolarHBondContact NE2-OD1 3.21Å; Q303-D307 VanDerWaalsContact O-CG 3.25Å; Q303-D307 PolarHBondContact O-N 3.01Å
304R97.5Very high97.6Very high71 Ų7143 Ų4327%0.26823%0.226SC..Hα-helixtrans-61.1-37.2179.5-178.855.2179156.57.5112.2E251 N302 L306 D307 M308E251-R304 WeakPolarHBondContact OE1-CD 3.36Å; E251-R304 WeakPolarHBondContact OE1-CG 3.44Å; E251-R304 IonicContact OE1-CZ 3.41Å; E251-R304 IonicContact OE1-NE 2.73Å; E251-R304 PolarHBondContact OE1-NE 3.28Å; E251-R304 IonicContact OE1-NH2 3.09Å; E251-R304 IonicContact OE2-CZ 3.92Å; E251-R304 IonicContact OE2-NE 3.31Å; E251-R304 PolarHBondContact OE2-NE 3.3Å; E251-R304 IonicContact OE2-NH2 2.89Å; E251-R304 PolarHBondContact OE2-NH2 2.98Å; N302-R304 PolarHBondContact O-N 3.11Å; N302-R304 WeakPolarHBondContact OD1-CB 3.48Å; N302-R304 PolarHBondContact OD1-N 2.88Å; N302-R304 VanDerWaalsContact OD1-N 3.09Å; R304-L306 VanDerWaalsContact C-N 3.33Å; R304-L306 PolarHBondContact O-N 2.65Å; R304-D307 PolarHBondContact O-N 3.1Å; R304-M308 VanDerWaalsContact O-CG 3.25Å; R304-M308 WeakPolarHBondContact O-CG 3.2Å; R304-M308 PolarHBondContact O-N 3.17Å
305D97.8Very high97.6Very high4 Ų447.3 Ų47.32%0.02124%0.242CC..Hα-helixtrans-64.7-40178.3-57-30.5000111.1R247 M293 S296 N302 Q303 M308 Y309R247-D305 IonicContact CZ-OD2 3.48Å; R247-D305 IonicContact NH1-OD1 3.97Å; R247-D305 PolarHBondContact NH1-OD1 2.89Å; R247-D305 IonicContact NH1-OD2 2.68Å; R247-D305 PolarHBondContact NH1-OD2 2.76Å; R247-D305 IonicContact NH2-OD2 2.72Å; M293-D305 WeakPolarHBondContact O-CB 3.47Å; S296-D305 WeakPolarHBondContact CB-OD2 3.26Å; N302-D305 PolarHBondContact O-N 3.31Å; Q303-D305 VanDerWaalsContact C-N 3.27Å; Q303-D305 PolarHBondContact O-N 2.89Å; D305-M308 PolarHBondContact O-N 2.99Å; D305-Y309 PolarHBondContact O-N 3.38Å
306L97.9Very high97.5Very high27 Ų2747.1 Ų47.114%0.14124%0.241CC..Hα-helixtrans-67.5-41.4176178.858.5000112.2L294 Y297 Q303 R304 M308 Y309 N310L294-L306 HydrophobicContact CD1-CD1 4.36Å; Y297-L306 HydrophobicContact CD1-CB 4.04Å; Y297-L306 HydrophobicContact CD1-CD1 4.31Å; Y297-L306 HydrophobicContact CD1-CD2 4.01Å; Y297-L306 HydrophobicContact CD1-CG 4.34Å; Y297-L306 HydrophobicContact CD2-CB 3.61Å; Y297-L306 HydrophobicContact CD2-CD2 4.26Å; Y297-L306 HydrophobicContact CE1-CB 4.45Å; Y297-L306 HydrophobicContact CE1-CD2 3.62Å; Y297-L306 HydrophobicContact CE1-CG 4.44Å; Y297-L306 HydrophobicContact CE2-CB 4.03Å; Y297-L306 HydrophobicContact CE2-CD2 3.88Å; Y297-L306 HydrophobicContact CG-CB 3.59Å; Y297-L306 HydrophobicContact CG-CD2 4.3Å; Y297-L306 HydrophobicContact CG-CG 4.37Å; Q303-L306 PolarHBondContact O-N 3.4Å; R304-L306 VanDerWaalsContact C-N 3.33Å; R304-L306 PolarHBondContact O-N 2.65Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 3.09Å; L306-Y309 HydrophobicContact CD1-CD1 4.43Å; L306-Y309 PolarHBondContact O-N 3.05Å; L306-N310 WeakPolarHBondContact CG-ND2 3.47Å; L306-N310 WeakPolarHBondContact O-CB 3.22Å; L306-N310 VanDerWaalsContact O-CG 3.26Å; L306-N310 PolarHBondContact O-N 3.43Å; L306-N310 PolarHBondContact O-ND2 3.01Å
307D98.3Very high97.4Very high63 Ų6349.7 Ų49.734%0.33726%0.257SS..Hα-helixtrans-60.8-43.9176.3-62.1-17.2000110.2Q303 R304 Y309 N310 E311Q303-D307 PolarHBondContact NE2-OD1 3.21Å; Q303-D307 VanDerWaalsContact O-CG 3.25Å; Q303-D307 PolarHBondContact O-N 3.01Å; R304-D307 PolarHBondContact O-N 3.1Å; D307-Y309 PolarHBondContact O-N 2.91Å; D307-N310 PolarHBondContact O-N 2.89Å; D307-E311 WeakPolarHBondContact O-CG 3.34Å; D307-E311 PolarHBondContact O-N 3.19Å
308M98.1Very high97.3Very high2 Ų250.1 Ų50.11%0.0127%0.268CS..Hα-helixtrans-60.5-43.7176.2-72.1-162.7-66.700112.7E251 W254 M293 R304 D305 L306 S312E251-M308 HydrophobicContact CG-SD 4.46Å; W254-M308 HydrophobicContact CB-SD 3.69Å; W254-M308 HydrophobicContact CD2-CG 3.81Å; W254-M308 HydrophobicContact CD2-SD 3.92Å; W254-M308 HydrophobicContact CG-CB 4.2Å; W254-M308 HydrophobicContact CG-CG 3.66Å; W254-M308 HydrophobicContact CG-SD 3.35Å; W254-M308 HydrophobicContact CZ2-CG 4.36Å; W254-M308 VanDerWaalsContact NE1-CB 3.28Å; W254-M308 VanDerWaalsContact NE1-CG 3.28Å; W254-M308 PolarHBondContact NE1-O 3.2Å; M293-M308 HydrophobicContact CG-CB 4.47Å; M293-M308 HydrophobicContact SD-CB 3.8Å; R304-M308 VanDerWaalsContact O-CG 3.25Å; R304-M308 WeakPolarHBondContact O-CG 3.2Å; R304-M308 PolarHBondContact O-N 3.17Å; D305-M308 PolarHBondContact O-N 2.99Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 3.09Å; M308-S312 WeakPolarHBondContact O-CB 3.08Å; M308-S312 PolarHBondContact O-N 2.86Å; M308-S312 VanDerWaalsContact O-N 3.17Å; M308-S312 PolarHBondContact O-OG 2.87Å
309Y98.2Very high97.3Very high3 Ų349 Ų491%0.01226%0.259CS..Hα-helixtrans-62.6-52.3175.3174.6-100.5000111.6Y290 M293 L294 D305 L306 D307 E311 S312 F313 V362 A366Y290-Y309 WeakPolarHBondContact O-CD2 3.33Å; M293-Y309 HydrophobicContact CB-CD2 4.46Å; L294-Y309 HydrophobicContact CB-CD1 4.37Å; L294-Y309 HydrophobicContact CB-CD2 3.76Å; L294-Y309 HydrophobicContact CB-CE2 3.97Å; L294-Y309 HydrophobicContact CB-CG 3.98Å; L294-Y309 HydrophobicContact CD1-CD1 4.05Å; L294-Y309 HydrophobicContact CD1-CE1 4.16Å; L294-Y309 HydrophobicContact CD1-CG 4.44Å; L294-Y309 HydrophobicContact CD2-CE1 4.22Å; L294-Y309 HydrophobicContact CD2-CE2 4.23Å; D305-Y309 PolarHBondContact O-N 3.38Å; L306-Y309 HydrophobicContact CD1-CD1 4.43Å; L306-Y309 PolarHBondContact O-N 3.05Å; D307-Y309 PolarHBondContact O-N 2.91Å; Y309-E311 VanDerWaalsContact C-N 3.34Å; Y309-E311 PolarHBondContact O-N 3.02Å; Y309-S312 CarbonylContact O-C 3.51Å; Y309-S312 WeakPolarHBondContact O-CB 3.37Å; Y309-S312 PolarHBondContact O-N 3.48Å; Y309-S312 VanDerWaalsContact O-N 3.11Å; Y309-F313 HydrophobicContact CE1-CB 4.29Å; Y309-F313 WeakPolarHBondContact O-CB 3.18Å; Y309-F313 PolarHBondContact O-N 2.8Å; Y309-V362 HydrophobicContact CE2-CG1 3.89Å; Y309-A366 HydrophobicContact CE1-CB 3.85Å; Y309-A366 VanDerWaalsContact OH-CB 3.27Å; Y309-A366 WeakPolarHBondContact OH-CB 3.4Å
310N98.3Very high97.3Very high78 Ų7845.5 Ų45.542%0.41724%0.241SC..Hα-helixtrans-60.5-42.6-176.1-74.9-26.5000112.2L306 D307 F313 A314L306-N310 WeakPolarHBondContact CG-ND2 3.47Å; L306-N310 WeakPolarHBondContact O-CB 3.22Å; L306-N310 VanDerWaalsContact O-CG 3.26Å; L306-N310 PolarHBondContact O-N 3.43Å; L306-N310 PolarHBondContact O-ND2 3.01Å; D307-N310 PolarHBondContact O-N 2.89Å; N310-F313 PolarHBondContact O-N 3.39Å; N310-A314 PolarHBondContact O-N 3.32Å
311E97.8Very high97.2Very high95 Ų9544.9 Ų44.944%0.44424%0.237SC..Hα-helixtrans-62.4-45.3175.1-74.6-174.7-140.200111.4W254 D307 Y309 A314 R315W254-E311 VanDerWaalsContact CZ2-OE2 3.24Å; W254-E311 WeakPolarHBondContact CZ2-OE2 3.28Å; D307-E311 WeakPolarHBondContact O-CG 3.34Å; D307-E311 PolarHBondContact O-N 3.19Å; Y309-E311 VanDerWaalsContact C-N 3.34Å; Y309-E311 PolarHBondContact O-N 3.02Å; E311-A314 PolarHBondContact O-N 3.29Å; E311-R315 WeakPolarHBondContact O-CG 3.2Å; E311-R315 PolarHBondContact O-N 3.02Å
312S97.6Very high97Very high2 Ų246 Ų461%0.01422%0.224CC..Hα-helixtrans-63.9-43.6178.2-59.50000111.8M308 Y309 A314 R315 I316M308-S312 WeakPolarHBondContact O-CB 3.08Å; M308-S312 PolarHBondContact O-N 2.86Å; M308-S312 VanDerWaalsContact O-N 3.17Å; M308-S312 PolarHBondContact O-OG 2.87Å; Y309-S312 CarbonylContact O-C 3.51Å; Y309-S312 WeakPolarHBondContact O-CB 3.37Å; Y309-S312 PolarHBondContact O-N 3.48Å; Y309-S312 VanDerWaalsContact O-N 3.11Å; S312-A314 VanDerWaalsContact C-N 3.33Å; S312-A314 PolarHBondContact O-N 3.17Å; S312-R315 WeakPolarHBondContact O-CA 3.34Å; S312-R315 WeakPolarHBondContact O-CB 3.4Å; S312-R315 PolarHBondContact O-N 3.47Å; S312-I316 WeakPolarHBondContact O-CG1 3.33Å; S312-I316 PolarHBondContact O-N 3.39Å
313F97.6Very high96.6Very high26 Ų2645.2 Ų45.211%0.11423%0.23CC..Hα-helixtrans-62.5-38.7178.8-176.8-117.1000112.4Y309 N310 R315 I316 T317 F359 L363 E368Y309-F313 HydrophobicContact CE1-CB 4.29Å; Y309-F313 WeakPolarHBondContact O-CB 3.18Å; Y309-F313 PolarHBondContact O-N 2.8Å; N310-F313 PolarHBondContact O-N 3.39Å; F313-R315 VanDerWaalsContact C-N 3.28Å; F313-R315 PolarHBondContact O-N 3.05Å; F313-I316 PolarHBondContact O-N 2.71Å; F313-T317 WeakPolarHBondContact O-CB 3.49Å; F313-T317 PolarHBondContact O-N 2.93Å; F313-T317 PolarHBondContact O-OG1 3.32Å; F313-T317 VanDerWaalsContact O-OG1 3.1Å; F313-F359 HydrophobicContact CD2-CZ 4.2Å; F313-F359 HydrophobicContact CE2-CE1 4.33Å; F313-F359 HydrophobicContact CE2-CZ 4.2Å; F313-L363 HydrophobicContact CE2-CD2 3.5Å; F313-L363 VanDerWaalsContact CE2-CD2 3.5Å; F313-L363 HydrophobicContact CZ-CD2 3.63Å; F313-E368 HydrophobicContact CE1-CG 3.89Å; F313-E368 HydrophobicContact CZ-CG 3.93Å
314A97.4Very high96Very high37 Ų3741.8 Ų41.831%0.30621%0.214SC..Hα-helixtrans-61.3-37.9172.900000111.9N310 E311 S312 T318N310-A314 PolarHBondContact O-N 3.32Å; E311-A314 PolarHBondContact O-N 3.29Å; S312-A314 VanDerWaalsContact C-N 3.33Å; S312-A314 PolarHBondContact O-N 3.17Å; A314-T318 WeakPolarHBondContact O-CB 3.33Å; A314-T318 PolarHBondContact O-N 2.95Å; A314-T318 VanDerWaalsContact O-N 3.07Å; A314-T318 PolarHBondContact O-OG1 3.43Å
315R97.5Very high95.2Very high99 Ų9943.4 Ų43.437%0.37424%0.236SC..Hα-helixtrans-71.3-43.2176.1-57.6-52.5108.11796111.9T261 G262 L263 E311 S312 F313 T317 T318 Y319T261-R315 WeakPolarHBondContact O-CD 2.99Å; T261-R315 WeakPolarHBondContact O-CG 3.39Å; G262-R315 WeakPolarHBondContact O-CG 3.33Å; L263-R315 HydrophobicContact CD2-CB 3.75Å; E311-R315 WeakPolarHBondContact O-CG 3.2Å; E311-R315 PolarHBondContact O-N 3.02Å; S312-R315 WeakPolarHBondContact O-CA 3.34Å; S312-R315 WeakPolarHBondContact O-CB 3.4Å; S312-R315 PolarHBondContact O-N 3.47Å; F313-R315 VanDerWaalsContact C-N 3.28Å; F313-R315 PolarHBondContact O-N 3.05Å; R315-T317 VanDerWaalsContact C-N 3.33Å; R315-T317 PolarHBondContact O-N 3.33Å; R315-T318 PolarHBondContact O-N 3.3Å; R315-Y319 HydrophobicContact CB-CD2 4.38Å; R315-Y319 WeakPolarHBondContact O-CD2 3.38Å; R315-Y319 PolarHBondContact O-N 3.12Å
316I96.9Very high94.2Very high0 Ų051.8 Ų51.80%027%0.267CS..Hα-helixtrans-54.3-51174.1-71.3162.6000110.1L282 Y290 S312 F313 T318 Y319 M320 R321 Y337 F359L282-I316 HydrophobicContact CD1-CG2 4.02Å; L282-I316 HydrophobicContact CD2-CD1 3.81Å; L282-I316 HydrophobicContact CD2-CG1 4.08Å; L282-I316 HydrophobicContact CD2-CG2 3.86Å; L282-I316 HydrophobicContact CG-CG2 4.36Å; Y290-I316 HydrophobicContact CD1-CD1 3.9Å; Y290-I316 HydrophobicContact CD2-CD1 4.03Å; Y290-I316 HydrophobicContact CE1-CD1 3.78Å; Y290-I316 HydrophobicContact CE2-CD1 3.89Å; Y290-I316 HydrophobicContact CG-CD1 4.01Å; S312-I316 WeakPolarHBondContact O-CG1 3.33Å; S312-I316 PolarHBondContact O-N 3.39Å; F313-I316 PolarHBondContact O-N 2.71Å; I316-T318 VanDerWaalsContact C-N 3.31Å; I316-T318 PolarHBondContact O-N 3.18Å; I316-Y319 PolarHBondContact O-N 2.68Å; I316-M320 HydrophobicContact CB-SD 4.3Å; I316-M320 HydrophobicContact CG1-CE 4.37Å; I316-M320 HydrophobicContact CG1-SD 4.02Å; I316-M320 HydrophobicContact CG2-CB 4.46Å; I316-M320 HydrophobicContact CG2-SD 4.02Å; I316-M320 WeakPolarHBondContact O-CA 3.31Å; I316-M320 VanDerWaalsContact O-CB 3.28Å; I316-M320 WeakPolarHBondContact O-CB 3.47Å; I316-M320 PolarHBondContact O-N 3.1Å; I316-R321 PolarHBondContact O-N 3Å; I316-Y337 HydrophobicContact CG2-CD1 3.86Å; I316-Y337 HydrophobicContact CG2-CE1 3.69Å; I316-F359 HydrophobicContact CD1-CZ 4.37Å; I316-F359 HydrophobicContact CG2-CZ 4.35Å
317T95.3Very high93.1Very high54 Ų5451.4 Ų51.433%0.33127%0.266SS..Hα-helixtrans-64.1-36.3-179.9-61.30000112.2F313 R315 R321F313-T317 WeakPolarHBondContact O-CB 3.49Å; F313-T317 PolarHBondContact O-N 2.93Å; F313-T317 PolarHBondContact O-OG1 3.32Å; F313-T317 VanDerWaalsContact O-OG1 3.1Å; R315-T317 VanDerWaalsContact C-N 3.33Å; R315-T317 PolarHBondContact O-N 3.33Å; T317-R321 VanDerWaalsContact O-CB 3.25Å; T317-R321 WeakPolarHBondContact O-CB 3.5Å
318T96.1Very high91.7Very high85 Ų8551.3 Ų51.352%0.52127%0.271SS..Hα-helixtrans-70.7-46.6178.9-59.80000112.3A314 R315 I316A314-T318 WeakPolarHBondContact O-CB 3.33Å; A314-T318 PolarHBondContact O-N 2.95Å; A314-T318 VanDerWaalsContact O-N 3.07Å; A314-T318 PolarHBondContact O-OG1 3.43Å; R315-T318 PolarHBondContact O-N 3.3Å; I316-T318 VanDerWaalsContact C-N 3.31Å; I316-T318 PolarHBondContact O-N 3.18Å
319Y97.2Very high90.5Very high56 Ų5653.2 Ų53.222%0.2228%0.284CS..Hα-helixtrans-103.2-29.2-166.8-69.9-73.1000114.2T261 L263 R315 I316 R322 V340T261-Y319 HydrophobicContact CG2-CE1 4.2Å; T261-Y319 WeakPolarHBondContact O-CE2 3.21Å; L263-Y319 HydrophobicContact CD1-CD2 4.49Å; L263-Y319 HydrophobicContact CD1-CG 4.33Å; R315-Y319 HydrophobicContact CB-CD2 4.38Å; R315-Y319 WeakPolarHBondContact O-CD2 3.38Å; R315-Y319 PolarHBondContact O-N 3.12Å; I316-Y319 PolarHBondContact O-N 2.68Å; Y319-R322 PolarHBondContact O-NH1 3.49Å; Y319-R322 PolarHBondContact O-NH2 3.34Å; Y319-V340 WeakPolarHBondContact O-CG1 3.44Å
320M96.6Very high89Confident1 Ų156.7 Ų56.71%0.00530%0.303CS..THydrogen-bonded Turntrans-100.3-31-175.9-58.9178.2-179.300112.9L263 A280 L282 I316 Y337 V338 V340L263-M320 HydrophobicContact CD1-CE 4.11Å; L263-M320 HydrophobicContact CD2-CE 3.85Å; A280-M320 HydrophobicContact CB-CE 3.64Å; L282-M320 HydrophobicContact CD2-SD 4.03Å; L282-M320 HydrophobicContact CG-SD 4.03Å; I316-M320 HydrophobicContact CB-SD 4.3Å; I316-M320 HydrophobicContact CG1-CE 4.37Å; I316-M320 HydrophobicContact CG1-SD 4.02Å; I316-M320 HydrophobicContact CG2-CB 4.46Å; I316-M320 HydrophobicContact CG2-SD 4.02Å; I316-M320 WeakPolarHBondContact O-CA 3.31Å; I316-M320 VanDerWaalsContact O-CB 3.28Å; I316-M320 WeakPolarHBondContact O-CB 3.47Å; I316-M320 PolarHBondContact O-N 3.1Å; M320-Y337 HydrophobicContact CB-CD1 4.08Å; M320-Y337 WeakPolarHBondContact O-CA 3.25Å; M320-V338 PolarHBondContact O-N 3.36Å; M320-V340 HydrophobicContact CE-CG2 4.38Å; M320-V340 HydrophobicContact CG-CG2 3.88Å
321R94.7Very high87.6Confident32 Ų3260.9 Ų60.912%0.12132%0.32CS..EExtended strand (participates in β ladder)trans-72.2131.5-177.2-158.9-179.2176.4-75.43.2111.3I316 T317 R324 Y337 E371I316-R321 PolarHBondContact O-N 3Å; T317-R321 VanDerWaalsContact O-CB 3.25Å; T317-R321 WeakPolarHBondContact O-CB 3.5Å; R321-R324 PolarHBondContact NH1-O 3.25Å; R321-R324 PolarHBondContact NH2-O 3.45Å; R321-Y337 HydrophobicContact CB-CD1 3.99Å; R321-Y337 HydrophobicContact CB-CE1 3.68Å; R321-Y337 HydrophobicContact CG-CD1 4.31Å; R321-Y337 HydrophobicContact CG-CE1 3.85Å; R321-Y337 HydrophobicContact CG-CE2 4.38Å; R321-E371 IonicContact CZ-OE1 3.35Å; R321-E371 IonicContact CZ-OE2 3.43Å; R321-E371 IonicContact NE-OE1 2.74Å; R321-E371 PolarHBondContact NE-OE1 3.17Å; R321-E371 IonicContact NE-OE2 3.26Å; R321-E371 PolarHBondContact NE-OE2 2.97Å; R321-E371 IonicContact NH2-OE1 3.21Å; R321-E371 PolarHBondContact NH2-OE1 2.69Å; R321-E371 IonicContact NH2-OE2 2.77Å; R321-E371 PolarHBondContact NH2-OE2 3.46Å
322R92.3Very high86.4Confident78 Ų7859.1 Ų59.129%0.29433%0.327SS..EExtended strand (participates in β ladder)trans-126.7170.9175.4-60.4-65.7178.9-86.8-5.6110Y319 P335 I336 V338 G345Y319-R322 PolarHBondContact O-NH1 3.49Å; Y319-R322 PolarHBondContact O-NH2 3.34Å; R322-P335 VanDerWaalsContact O-CA 3.28Å; R322-P335 WeakPolarHBondContact O-CA 3.42Å; R322-I336 HydrophobicContact CB-CG2 4.09Å; R322-I336 PolarHBondContact N-O 3.21Å; R322-I336 PolarHBondContact O-N 3.48Å; R322-V338 HydrophobicContact CG-CG1 3.99Å; R322-V338 HydrophobicContact CG-CG2 3.79Å; R322-G345 PolarHBondContact NH2-O 2.89Å
323G88.3Confident85.5Confident45 Ų4565.4 Ų65.446%0.46436%0.361SS..SBendtrans83.1-163.1-178.500000113
324R84.6Confident84.6Confident20 Ų2066.5 Ų66.58%0.07537%0.367CS..  trans-63.9150.5-175.466.1-167.1-173.4-148.32.9113.1R321 R326 C327 S329 D333 P335R321-R324 PolarHBondContact NH1-O 3.25Å; R321-R324 PolarHBondContact NH2-O 3.45Å; R324-R326 WeakPolarHBondContact CG-O 3.15Å; R324-R326 PolarHBondContact NE-O 3.3Å; R324-R326 PolarHBondContact O-N 3.45Å; R324-C327 PolarHBondContact NE-O 3.08Å; R324-C327 PolarHBondContact NH2-O 2.72Å; R324-S329 VanDerWaalsContact CD-O 3.28Å; R324-S329 WeakPolarHBondContact CD-O 3.45Å; R324-S329 PolarHBondContact NE-O 3.4Å; R324-S329 PolarHBondContact NH1-O 2.76Å; R324-D333 WeakPolarHBondContact CG-O 3.44Å; R324-D333 PolarHBondContact N-O 2.79Å; R324-P335 HydrophobicContact CG-CG 3.79Å
325S80.4Confident84.1Confident104 Ų10464.9 Ų64.973%0.72735%0.353SS*.SBendtrans-70-25.7-173.557.50000115
326R78.3Confident83.8Confident180 Ų18061.1 Ų61.168%0.67934%0.341SS*.SBendtrans-128.6137177.9-66.6-174.1-179.8-174.6-1.2110.5R324 S328 S329R324-R326 WeakPolarHBondContact CG-O 3.15Å; R324-R326 PolarHBondContact NE-O 3.3Å; R324-R326 PolarHBondContact O-N 3.45Å; R326-S328 PolarHBondContact O-N 3.11Å; R326-S329 WeakPolarHBondContact O-CB 3.23Å; R326-S329 PolarHBondContact O-N 3.17Å; R326-S329 VanDerWaalsContact O-N 3.1Å
327C73.5Confident83.7Confident19 Ų1961.2 Ų61.213%0.12834%0.341CS..THydrogen-bonded Turntrans-53.3-44.4176.6-178.70000112.3R324 S329 D370 C374R324-C327 PolarHBondContact NE-O 3.08Å; R324-C327 PolarHBondContact NH2-O 2.72Å; C327-S329 VanDerWaalsContact C-N 3.25Å; C327-S329 PolarHBondContact O-N 3.17Å; C327-D370 VanDerWaalsContact CB-O 3.23Å; C327-D370 WeakPolarHBondContact CB-O 3.3Å; C327-D370 PolarHBondContact SG-O 3.09Å; C327-D370 VanDerWaalsContact SG-O 3.38Å; C327-C374 WeakPolarHBondContact CA-SG 3.43Å; C327-C374 HydrophobicContact CB-CB 3.67Å; C327-C374 WeakPolarHBondContact CB-SG 3.44Å; C327-C374 VanDerWaalsContact SG-CA 3.6Å; C327-C374 WeakPolarHBondContact SG-CB 3.26Å; C327-C374 CovalentContact SG-SG 2.01Å; C327-C374 PolarHBondContact SG-SG 3.42Å
328S68.6Low83.8Confident62 Ų6258.8 Ų58.843%0.43433%0.326SS..THydrogen-bonded Turntrans-72.7-6.4-17852.80000115.5R326R326-S328 PolarHBondContact O-N 3.11Å
329S73.2Confident83.9Confident42 Ų4254.9 Ų54.929%0.29430%0.302SS..  trans-70.6134.6177-179.10000111R324 R326 C327 E331R324-S329 VanDerWaalsContact CD-O 3.28Å; R324-S329 WeakPolarHBondContact CD-O 3.45Å; R324-S329 PolarHBondContact NE-O 3.4Å; R324-S329 PolarHBondContact NH1-O 2.76Å; R326-S329 WeakPolarHBondContact O-CB 3.23Å; R326-S329 PolarHBondContact O-N 3.17Å; R326-S329 VanDerWaalsContact O-N 3.1Å; C327-S329 VanDerWaalsContact C-N 3.25Å; C327-S329 PolarHBondContact O-N 3.17Å; S329-E331 VanDerWaalsContact C-N 3.35Å; S329-E331 PolarHBondContact OG-N 3.37Å; S329-E331 PolarHBondContact OG-O 3.47Å
330L66.4Low83.9Confident76 Ų7652.2 Ų52.240%0.39829%0.292SS..SBendtrans-84-13.7176.6-62.1178.9000113I11 L20I11-L330 HydrophobicContact CG2-CD2 3.22Å; L20-L330 HydrophobicContact CD1-CD1 3.83Å
331E69.1Low84Confident165 Ų16553.2 Ų53.277%0.77130%0.297SS*.SBendtrans-107.4135.7-177-65.8-179.2-174.700110.9S329S329-E331 VanDerWaalsContact C-N 3.35Å; S329-E331 PolarHBondContact OG-N 3.37Å; S329-E331 PolarHBondContact OG-O 3.47Å
332G72.9Confident84.1Confident58 Ų5851.8 Ų51.860%0.59829%0.292SS*.SBendtrans99170.3-179.900000114.4
333D79Confident84.3Confident134 Ų13454 Ų5472%0.71730%0.3SS*.SBendtrans-67.1150.7179.4-63.8-41.5000111.7R324R324-D333 WeakPolarHBondContact CG-O 3.44Å; R324-D333 PolarHBondContact N-O 2.79Å
334I78.3Confident84.7Confident49 Ų4956.4 Ų56.425%0.25130%0.303SS..PPolyproline II helixtrans-59.7135.8179.3-63.3156.2000109.2V7 I336V7-I334 HydrophobicContact CB-CD1 3.94Å; V7-I334 HydrophobicContact CG1-CD1 3.57Å; V7-I334 HydrophobicContact CG1-CG1 3.91Å; V7-I334 HydrophobicContact CG2-CD1 3.93Å; I334-I336 PolarHBondContact O-N 2.74Å
335P87Confident85.2Confident3 Ų355.9 Ų55.92%0.01930%0.303CS..PPolyproline II helixtrans-59.7134.3175.3-22.934.6000111.8R322 R324 C374R322-P335 VanDerWaalsContact O-CA 3.28Å; R322-P335 WeakPolarHBondContact O-CA 3.42Å; R324-P335 HydrophobicContact CG-CG 3.79Å; P335-C374 HydrophobicContact CG-CB 4.48Å
336I91.1Very high86Confident20 Ų2053.6 Ų53.610%0.10329%0.287CS..EExtended strand (participates in β ladder)trans-143.5141.1174.4-175.9171.3000108.8R322 I334 V338 I352 L378 W395R322-I336 HydrophobicContact CB-CG2 4.09Å; R322-I336 PolarHBondContact N-O 3.21Å; R322-I336 PolarHBondContact O-N 3.48Å; I334-I336 PolarHBondContact O-N 2.74Å; I336-V338 HydrophobicContact CG1-CG1 4.35Å; I336-V338 HydrophobicContact CG2-CG1 3.93Å; I336-I352 HydrophobicContact CD1-CD1 4.33Å; I336-I352 HydrophobicContact CD1-CG2 4.13Å; I336-I352 HydrophobicContact CG1-CG2 4.46Å; I336-L378 HydrophobicContact CB-CD2 4.36Å; I336-L378 HydrophobicContact CD1-CD2 3.71Å; I336-L378 HydrophobicContact CG1-CD2 3.76Å; I336-W395 HydrophobicContact CD1-CB 3.78Å; I336-W395 HydrophobicContact CD1-CD2 4.24Å; I336-W395 HydrophobicContact CD1-CG 3.67Å
337Y95.7Very high86.9Confident3 Ų348.1 Ų48.11%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-91.4114.6167.8-70.1-88.4000108.7L282 I316 M320 R321 Q356 E371 H375L282-Y337 HydrophobicContact CD1-CD1 3.64Å; L282-Y337 HydrophobicContact CD1-CD2 4.18Å; L282-Y337 HydrophobicContact CD1-CE1 4.34Å; L282-Y337 HydrophobicContact CD1-CG 3.53Å; I316-Y337 HydrophobicContact CG2-CD1 3.86Å; I316-Y337 HydrophobicContact CG2-CE1 3.69Å; M320-Y337 HydrophobicContact CB-CD1 4.08Å; M320-Y337 WeakPolarHBondContact O-CA 3.25Å; R321-Y337 HydrophobicContact CB-CD1 3.99Å; R321-Y337 HydrophobicContact CB-CE1 3.68Å; R321-Y337 HydrophobicContact CG-CD1 4.31Å; R321-Y337 HydrophobicContact CG-CE1 3.85Å; R321-Y337 HydrophobicContact CG-CE2 4.38Å; Y337-Q356 PolarHBondContact O-NE2 3.27Å; Y337-E371 HydrophobicContact CE2-CG 4.22Å; Y337-E371 WeakPolarHBondContact CE2-OE1 3.38Å; Y337-E371 WeakPolarHBondContact OH-CG 3.35Å; Y337-E371 PolarHBondContact OH-OE1 3.44Å; Y337-H375 AromaticContact CD2-ND1 3.59Å
338V96.5Very high88Confident2 Ų249.8 Ų49.81%0.01229%0.286CS..  trans-100.2154.4-179.2-54.90000110.8M320 R322 I336 V340 T347 W395M320-V338 PolarHBondContact O-N 3.36Å; R322-V338 HydrophobicContact CG-CG1 3.99Å; R322-V338 HydrophobicContact CG-CG2 3.79Å; I336-V338 HydrophobicContact CG1-CG1 4.35Å; I336-V338 HydrophobicContact CG2-CG1 3.93Å; V338-V340 HydrophobicContact CG2-CG1 3.98Å; V338-T347 HydrophobicContact CB-CG2 4.48Å; V338-T347 HydrophobicContact CG2-CG2 4.19Å; V338-W395 HydrophobicContact CG1-CZ2 3.86Å
339N97.5Very high89.3Confident4 Ų448.1 Ų48.12%0.02127%0.272CS..  trans-70.8136169.9-63.1-46.6000111L279 A280 G281 S348 N349 W351L279-N339 HydrophobicContact CD1-CB 3.83Å; L279-N339 HydrophobicContact CG-CB 4.47Å; A280-N339 CarbonylContact O-C 3.58Å; A280-N339 WeakPolarHBondContact O-CA 3.25Å; G281-N339 WeakPolarHBondContact CA-OD1 3.13Å; N339-S348 PolarHBondContact O-N 3.03Å; N339-N349 WeakPolarHBondContact CB-ND2 3.02Å; N339-N349 WeakPolarHBondContact CB-OD1 3.36Å; N339-N349 PolarHBondContact ND2-ND2 3.3Å; N339-N349 PolarHBondContact ND2-OD1 2.83Å; N339-N349 VanDerWaalsContact ND2-OD1 3.08Å; N339-W351 WeakPolarHBondContact ND2-CZ3 3.48Å; N339-W351 PolarHBondContact ND2-O 3.32Å
340V98Very high90.3Very high0 Ų048.1 Ų48.10%027%0.27CS..EExtended strand (participates in β ladder)trans-131.4163.2-177.2-590000112.3L263 A280 Y319 M320 V338 S342 S346 S348L263-V340 HydrophobicContact CD1-CG2 3.6Å; A280-V340 HydrophobicContact CB-CG2 4.06Å; A280-V340 PolarHBondContact N-O 2.74Å; A280-V340 PolarHBondContact O-N 2.98Å; Y319-V340 WeakPolarHBondContact O-CG1 3.44Å; M320-V340 HydrophobicContact CE-CG2 4.38Å; M320-V340 HydrophobicContact CG-CG2 3.88Å; V338-V340 HydrophobicContact CG2-CG1 3.98Å; V340-S342 PolarHBondContact O-N 2.83Å; V340-S346 CarbonylContact C-O 3.57Å; V340-S346 WeakPolarHBondContact CA-O 3.49Å; V340-S346 WeakPolarHBondContact CB-O 3.48Å; V340-S348 PolarHBondContact O-OG 2.77Å
341D97.8Very high91.7Very high22 Ų2246.5 Ų46.512%0.11826%0.259CS..EExtended strand (participates in β ladder)trans-78.5122.3171.6-169.7-56.5000107.8R343 D344 G345 S346 S348D341-R343 PolarHBondContact O-N 2.93Å; D341-R343 VanDerWaalsContact OD1-CB 3.26Å; D341-R343 WeakPolarHBondContact OD1-CB 3.3Å; D341-R343 WeakPolarHBondContact OD1-CG 3.25Å; D341-R343 IonicContact OD1-CZ 3.68Å; D341-R343 PolarHBondContact OD1-N 2.98Å; D341-R343 IonicContact OD1-NE 3.82Å; D341-R343 PolarHBondContact OD1-NE 2.87Å; D341-R343 IonicContact OD1-NH2 2.64Å; D341-R343 IonicContact OD2-CZ 3.29Å; D341-R343 IonicContact OD2-NE 2.92Å; D341-R343 PolarHBondContact OD2-NE 3.3Å; D341-R343 IonicContact OD2-NH2 3.88Å; D341-R343 PolarHBondContact OD2-NH2 3.5Å; D341-D344 PolarHBondContact O-N 2.8Å; D341-G345 WeakPolarHBondContact O-CA 3.36Å; D341-G345 PolarHBondContact O-N 3.44Å; D341-S346 PolarHBondContact N-O 3.29Å; D341-S348 WeakPolarHBondContact CA-OG 3.44Å; D341-S348 PolarHBondContact N-OG 3.22Å
342S97.1Very high93Very high2 Ų238.7 Ų38.71%0.01422%0.222CC..THydrogen-bonded Turntrans-56-18.3179.357.10000113.8N258 T261 H278 V340N258-S342 VanDerWaalsContact CB-O 3.24Å; N258-S342 WeakPolarHBondContact CB-O 3.14Å; T261-S342 WeakPolarHBondContact CG2-O 3.31Å; T261-S342 PolarHBondContact OG1-O 3.13Å; H278-S342 WeakPolarHBondContact CA-OG 3.48Å; H278-S342 WeakPolarHBondContact CB-OG 3.36Å; H278-S342 WeakPolarHBondContact O-CB 3.49Å; H278-S342 PolarHBondContact O-N 3.43Å; H278-S342 PolarHBondContact O-OG 2.89Å; V340-S342 PolarHBondContact O-N 2.83Å
343R97Very high94.1Very high123 Ų12336.2 Ų36.246%0.46420%0.195SC..THydrogen-bonded Turntrans-88.7-31.4-175.6-59168.9-66.5179.43.9113.8T261 D341T261-R343 WeakPolarHBondContact CG2-O 3.44Å; D341-R343 PolarHBondContact O-N 2.93Å; D341-R343 VanDerWaalsContact OD1-CB 3.26Å; D341-R343 WeakPolarHBondContact OD1-CB 3.3Å; D341-R343 WeakPolarHBondContact OD1-CG 3.25Å; D341-R343 IonicContact OD1-CZ 3.68Å; D341-R343 PolarHBondContact OD1-N 2.98Å; D341-R343 IonicContact OD1-NE 3.82Å; D341-R343 PolarHBondContact OD1-NE 2.87Å; D341-R343 IonicContact OD1-NH2 2.64Å; D341-R343 IonicContact OD2-CZ 3.29Å; D341-R343 IonicContact OD2-NE 2.92Å; D341-R343 PolarHBondContact OD2-NE 3.3Å; D341-R343 IonicContact OD2-NH2 3.88Å; D341-R343 PolarHBondContact OD2-NH2 3.5Å
344D96.4Very high95Very high97 Ų9729.9 Ų29.952%0.51916%0.161SC..THydrogen-bonded Turntrans-134.9-9.4-174.666.217.3000114.7D341 S346D341-D344 PolarHBondContact O-N 2.8Å; D344-S346 VanDerWaalsContact C-N 3.26Å; D344-S346 PolarHBondContact O-N 3.46Å; D344-S346 WeakPolarHBondContact OD1-CB 3.27Å; D344-S346 PolarHBondContact OD1-N 3.47Å; D344-S346 PolarHBondContact OD1-OG 3.45Å; D344-S346 PolarHBondContact OD2-OG 2.99Å
345G96.4Very high95.9Very high8 Ų828.6 Ų28.68%0.08216%0.155CC..  trans75.69.9-179.700000114.5R322 D341R322-G345 PolarHBondContact NH2-O 2.89Å; D341-G345 WeakPolarHBondContact O-CA 3.36Å; D341-G345 PolarHBondContact O-N 3.44Å
346S96.9Very high96.4Very high57 Ų5728.5 Ų28.540%0.39916%0.155SC..  trans-68.4144.717366.10000110.8V340 D341 D344 S348V340-S346 CarbonylContact C-O 3.57Å; V340-S346 WeakPolarHBondContact CA-O 3.49Å; V340-S346 WeakPolarHBondContact CB-O 3.48Å; D341-S346 PolarHBondContact N-O 3.29Å; D344-S346 VanDerWaalsContact C-N 3.26Å; D344-S346 PolarHBondContact O-N 3.46Å; D344-S346 WeakPolarHBondContact OD1-CB 3.27Å; D344-S346 PolarHBondContact OD1-N 3.47Å; D344-S346 PolarHBondContact OD1-OG 3.45Å; D344-S346 PolarHBondContact OD2-OG 2.99Å; S346-S348 PolarHBondContact O-N 3.41Å
347T96.9Very high96.7Very high64 Ų6427.6 Ų27.639%0.39315%0.15SC..BIsolated β-bridgetrans-62.9118.9178.7-59.80000110.5V338 N349 W395V338-T347 HydrophobicContact CB-CG2 4.48Å; V338-T347 HydrophobicContact CG2-CG2 4.19Å; T347-N349 WeakPolarHBondContact CG2-O 3.42Å; T347-W395 HydrophobicContact CG2-CZ2 4.39Å
348S96Very high96.8Very high55 Ų5527.9 Ų27.939%0.38515%0.152SC..  trans-84.2-33.4-176.4-64.30000113.7N339 V340 D341 S346N339-S348 PolarHBondContact O-N 3.03Å; V340-S348 PolarHBondContact O-OG 2.77Å; D341-S348 WeakPolarHBondContact CA-OG 3.44Å; D341-S348 PolarHBondContact N-OG 3.22Å; S346-S348 PolarHBondContact O-N 3.41Å
349N95.1Very high96.9Very high27 Ų2728 Ų2814%0.14415%0.153CC..  trans-149.1-180-177.36942.6000111.2N339 T347 W351N339-N349 WeakPolarHBondContact CB-ND2 3.02Å; N339-N349 WeakPolarHBondContact CB-OD1 3.36Å; N339-N349 PolarHBondContact ND2-ND2 3.3Å; N339-N349 PolarHBondContact ND2-OD1 2.83Å; N339-N349 VanDerWaalsContact ND2-OD1 3.08Å; T347-N349 WeakPolarHBondContact CG2-O 3.42Å; N349-W351 VanDerWaalsContact ND2-CZ2 3.27Å; N349-W351 WeakPolarHBondContact ND2-CZ2 3.35Å; N349-W351 PolarHBondContact ND2-NE1 3.33Å; N349-W351 PolarHBondContact OD1-N 3.26Å; N349-W351 PolarHBondContact OD1-O 2.76Å
350T95.6Very high96.9Very high41 Ų4127.8 Ų27.825%0.25215%0.152SC..SBendtrans-119.317.2-175.857.10000112.8N394 W395 Q396T350-N394 CarbonylContact O-C 3.49Å; T350-N394 VanDerWaalsContact O-CA 3.3Å; T350-N394 WeakPolarHBondContact O-CA 3.41Å; T350-N394 PolarHBondContact O-OD1 3.18Å; T350-N394 PolarHBondContact OG1-ND2 3.22Å; T350-W395 VanDerWaalsContact C-CD1 3.45Å; T350-W395 HydrophobicContact CG2-CZ2 4.42Å; T350-W395 PolarHBondContact O-N 3.01Å; T350-W395 PolarHBondContact O-NE1 2.73Å; T350-Q396 HydrophobicContact CG2-CG 3.99Å
351W96Very high96.9Very high42 Ų4227.8 Ų27.816%0.15915%0.152CC..EExtended strand (participates in β ladder)trans-117.3153.817759.1-104.4000111.8L279 N339 N349 D353 R392 F393L279-W351 HydrophobicContact CD2-CH2 4.14Å; L279-W351 HydrophobicContact CD2-CZ2 4.32Å; N339-W351 WeakPolarHBondContact ND2-CZ3 3.48Å; N339-W351 PolarHBondContact ND2-O 3.32Å; N349-W351 VanDerWaalsContact ND2-CZ2 3.27Å; N349-W351 WeakPolarHBondContact ND2-CZ2 3.35Å; N349-W351 PolarHBondContact ND2-NE1 3.33Å; N349-W351 PolarHBondContact OD1-N 3.26Å; N349-W351 PolarHBondContact OD1-O 2.76Å; W351-D353 HydrophobicContact CE3-CB 4.47Å; W351-D353 HydrophobicContact CZ3-CB 4.13Å; W351-R392 HydrophobicContact CB-CB 4.43Å; W351-R392 HydrophobicContact CD2-CG 4.33Å; W351-R392 HydrophobicContact CE3-CB 4.42Å; W351-R392 HydrophobicContact CE3-CG 3.94Å; W351-R392 HydrophobicContact CZ3-CG 4.31Å; W351-F393 CarbonylContact C-O 3.57Å; W351-F393 VanDerWaalsContact CA-O 3.23Å; W351-F393 WeakPolarHBondContact CA-O 3.35Å
352I96.1Very high96.9Very high1 Ų126.9 Ų26.91%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-120.7146.516553.3169.8000107.2I336 L378 Y379 I382 R392 F393I336-I352 HydrophobicContact CD1-CD1 4.33Å; I336-I352 HydrophobicContact CD1-CG2 4.13Å; I336-I352 HydrophobicContact CG1-CG2 4.46Å; I352-L378 HydrophobicContact CD1-CD2 3.51Å; I352-L378 HydrophobicContact CD1-CG 4.15Å; I352-Y379 HydrophobicContact CD1-CE1 4.1Å; I352-I382 HydrophobicContact CD1-CD1 4.28Å; I352-R392 CarbonylContact O-C 3.52Å; I352-R392 WeakPolarHBondContact O-CA 3.35Å; I352-F393 HydrophobicContact CG1-CB 4.32Å; I352-F393 PolarHBondContact N-O 2.81Å; I352-F393 PolarHBondContact O-N 2.94Å
353D96.7Very high96.9Very high6 Ų626.8 Ų26.83%0.03215%0.146CC..EExtended strand (participates in β ladder)trans-95.8164.7176.160.857.7000111.8G283 A284 W351 L355 Q356 E391 R392G283-D353 WeakPolarHBondContact CA-OD1 3.38Å; G283-D353 WeakPolarHBondContact CA-OD2 3.16Å; A284-D353 PolarHBondContact N-OD2 2.67Å; W351-D353 HydrophobicContact CE3-CB 4.47Å; W351-D353 HydrophobicContact CZ3-CB 4.13Å; D353-L355 VanDerWaalsContact C-N 3.3Å; D353-L355 HydrophobicContact CB-CD1 4.23Å; D353-L355 WeakPolarHBondContact OD1-CB 3.24Å; D353-L355 PolarHBondContact OD1-N 3.08Å; D353-Q356 WeakPolarHBondContact O-CB 3.38Å; D353-Q356 PolarHBondContact OD1-N 3.31Å; D353-E391 CarbonylContact C-O 3.57Å; D353-E391 WeakPolarHBondContact CA-O 3.38Å; D353-E391 WeakPolarHBondContact CB-O 3.48Å; D353-R392 HydrophobicContact CB-CG 4.13Å
354S97.1Very high97Very high1 Ų121.8 Ų21.81%0.00713%0.129CC..SBendtrans-68.9-27-179.844.50000113.3Q356 A357 E391 R408S354-Q356 VanDerWaalsContact C-N 3.26Å; S354-Q356 PolarHBondContact O-N 3.2Å; S354-A357 WeakPolarHBondContact O-CB 3.43Å; S354-A357 PolarHBondContact O-N 3.04Å; S354-A357 VanDerWaalsContact O-N 3.11Å; S354-E391 PolarHBondContact N-O 3.36Å; S354-E391 VanDerWaalsContact N-O 3.1Å; S354-E391 PolarHBondContact OG-OE2 3.09Å; S354-R408 WeakPolarHBondContact OG-CD 3.11Å; S354-R408 PolarHBondContact OG-NE 3.07Å
355L97.6Very high97Very high23 Ų2320 Ų2012%0.1212%0.119CC..G310 helixtrans-65.5-35.8179.9-60.180.7000110.6A284 D353 A357 S358A284-L355 HydrophobicContact CB-CD1 4.2Å; A284-L355 HydrophobicContact CB-CD2 4.04Å; D353-L355 VanDerWaalsContact C-N 3.3Å; D353-L355 HydrophobicContact CB-CD1 4.23Å; D353-L355 WeakPolarHBondContact OD1-CB 3.24Å; D353-L355 PolarHBondContact OD1-N 3.08Å; L355-A357 PolarHBondContact O-N 3.34Å; L355-S358 PolarHBondContact O-N 3.18Å; L355-S358 PolarHBondContact O-OG 3.42Å
356Q97.5Very high97Very high1 Ų121.3 Ų21.31%0.00513%0.129CC..G310 helixtrans-55.1-15.9174.5-177.8178.7-8.600113.6L282 Y337 D353 S354 S358 F359 H375 Y379L282-Q356 HydrophobicContact CB-CG 3.73Å; L282-Q356 WeakPolarHBondContact O-CA 3.34Å; Y337-Q356 PolarHBondContact O-NE2 3.27Å; D353-Q356 WeakPolarHBondContact O-CB 3.38Å; D353-Q356 PolarHBondContact OD1-N 3.31Å; S354-Q356 VanDerWaalsContact C-N 3.26Å; S354-Q356 PolarHBondContact O-N 3.2Å; Q356-S358 PolarHBondContact O-N 3.11Å; Q356-F359 WeakPolarHBondContact O-CB 3.21Å; Q356-F359 PolarHBondContact O-N 3.08Å; Q356-H375 PolarHBondContact O-NE2 2.98Å; Q356-Y379 VanDerWaalsContact CB-OH 3.24Å; Q356-Y379 WeakPolarHBondContact CB-OH 3.45Å; Q356-Y379 WeakPolarHBondContact CG-OH 3.47Å
357A97.7Very high96.9Very high1 Ų121.2 Ų21.21%0.00814%0.137CC..G310 helixtrans-58.6-31.2172.300000113S354 L355 F359 A360 Y379 L389 E410 F411 S414S354-A357 WeakPolarHBondContact O-CB 3.43Å; S354-A357 PolarHBondContact O-N 3.04Å; S354-A357 VanDerWaalsContact O-N 3.11Å; L355-A357 PolarHBondContact O-N 3.34Å; A357-F359 PolarHBondContact O-N 3.19Å; A357-F359 VanDerWaalsContact O-N 3.17Å; A357-A360 PolarHBondContact O-N 2.89Å; A357-Y379 HydrophobicContact CB-CD1 3.79Å; A357-Y379 HydrophobicContact CB-CD2 4.03Å; A357-Y379 HydrophobicContact CB-CE1 4.01Å; A357-Y379 HydrophobicContact CB-CE2 4.26Å; A357-Y379 HydrophobicContact CB-CG 3.81Å; A357-L389 HydrophobicContact CB-CD1 4.39Å; A357-E410 HydrophobicContact CB-CB 4.11Å; A357-F411 HydrophobicContact CB-CB 4.1Å; A357-S414 PolarHBondContact O-OG 2.92Å
358S97.8Very high96.8Very high9 Ų922.3 Ų22.36%0.06314%0.138CC..G310 helixtrans-61.4-25.5-179.362.40000112.5L355 Q356 A360 G361 V362 S414L355-S358 PolarHBondContact O-N 3.18Å; L355-S358 PolarHBondContact O-OG 3.42Å; Q356-S358 PolarHBondContact O-N 3.11Å; S358-A360 PolarHBondContact O-N 3.01Å; S358-A360 VanDerWaalsContact O-N 3.09Å; S358-G361 WeakPolarHBondContact O-CA 3.3Å; S358-G361 PolarHBondContact O-N 2.82Å; S358-V362 PolarHBondContact O-N 3.16Å; S358-S414 PolarHBondContact O-OG 3.32Å
359F98Very high96.7Very high3 Ų321.8 Ų21.81%0.01313%0.133CC..Hα-helixtrans-63.2-21.4-177.6-162.5-103.2000113.2L282 F313 I316 Q356 A357 G361 V362 L363L282-F359 HydrophobicContact CB-CD2 4.46Å; L282-F359 HydrophobicContact CB-CG 4.4Å; L282-F359 HydrophobicContact CD1-CD1 3.54Å; L282-F359 HydrophobicContact CD1-CD2 4.2Å; L282-F359 HydrophobicContact CD1-CE1 3.6Å; L282-F359 HydrophobicContact CD1-CE2 4.27Å; L282-F359 HydrophobicContact CD1-CG 3.84Å; L282-F359 HydrophobicContact CD1-CZ 3.98Å; L282-F359 HydrophobicContact CD2-CD2 4.04Å; L282-F359 HydrophobicContact CD2-CE1 4.46Å; L282-F359 HydrophobicContact CD2-CE2 3.76Å; L282-F359 HydrophobicContact CD2-CZ 3.98Å; L282-F359 HydrophobicContact CG-CD2 4.47Å; L282-F359 HydrophobicContact CG-CG 4.49Å; F313-F359 HydrophobicContact CD2-CZ 4.2Å; F313-F359 HydrophobicContact CE2-CE1 4.33Å; F313-F359 HydrophobicContact CE2-CZ 4.2Å; I316-F359 HydrophobicContact CD1-CZ 4.37Å; I316-F359 HydrophobicContact CG2-CZ 4.35Å; Q356-F359 WeakPolarHBondContact O-CB 3.21Å; Q356-F359 PolarHBondContact O-N 3.08Å; A357-F359 PolarHBondContact O-N 3.19Å; A357-F359 VanDerWaalsContact O-N 3.17Å; F359-G361 VanDerWaalsContact C-N 3.32Å; F359-V362 HydrophobicContact CD2-CB 4.08Å; F359-V362 HydrophobicContact CD2-CG1 4.36Å; F359-V362 HydrophobicContact CD2-CG2 4.3Å; F359-V362 HydrophobicContact CE2-CB 4.35Å; F359-V362 HydrophobicContact CE2-CG1 4.15Å; F359-V362 PolarHBondContact O-N 3.22Å; F359-L363 HydrophobicContact CD1-CD1 3.76Å; F359-L363 HydrophobicContact CD1-CD2 4.44Å; F359-L363 HydrophobicContact CD1-CG 3.83Å; F359-L363 HydrophobicContact CE1-CD1 3.95Å; F359-L363 HydrophobicContact CE1-CD2 3.86Å; F359-L363 HydrophobicContact CE1-CG 3.73Å; F359-L363 WeakPolarHBondContact O-CB 3.46Å; F359-L363 VanDerWaalsContact O-CG 3.27Å; F359-L363 WeakPolarHBondContact O-CG 3.45Å; F359-L363 PolarHBondContact O-N 3.38Å
360A97.8Very high96.4Very high0 Ų026.3 Ų26.30%016%0.157CC..Hα-helixtrans-63.8-38.9169.400000111.5A357 S358 L363 V364 A372 H375 H376 L418A357-A360 PolarHBondContact O-N 2.89Å; S358-A360 PolarHBondContact O-N 3.01Å; S358-A360 VanDerWaalsContact O-N 3.09Å; A360-L363 PolarHBondContact O-N 2.9Å; A360-V364 WeakPolarHBondContact O-CG2 3.48Å; A360-V364 PolarHBondContact O-N 2.68Å; A360-A372 HydrophobicContact CB-CB 4.42Å; A360-A372 WeakPolarHBondContact O-CB 3.16Å; A360-H375 HydrophobicContact CB-CB 4.42Å; A360-H375 PolarHBondContact N-CD2 2.97Å; A360-H376 HydrophobicContact CB-CB 4.19Å; A360-L418 HydrophobicContact CB-CD1 4.44Å
361G97.5Very high96.2Very high0 Ų025.3 Ų25.30%015%0.149CC..Hα-helixtrans-59.3-45.9170.400000112.8S358 F359 L363 V364 L365 S414 L417S358-G361 WeakPolarHBondContact O-CA 3.3Å; S358-G361 PolarHBondContact O-N 2.82Å; F359-G361 VanDerWaalsContact C-N 3.32Å; G361-L363 VanDerWaalsContact C-N 3.35Å; G361-L363 PolarHBondContact O-N 3.08Å; G361-V364 WeakPolarHBondContact O-CB 3.42Å; G361-V364 PolarHBondContact O-N 3.06Å; G361-L365 WeakPolarHBondContact O-CG 3.38Å; G361-L365 PolarHBondContact O-N 3.4Å; G361-S414 PolarHBondContact N-OG 3.4Å; G361-L417 VanDerWaalsContact CA-CD1 3.45Å
362V98.1Very high96.2Very high4 Ų423.3 Ų23.32%0.02414%0.142CC..Hα-helixtrans-59.7-44.6175.6-177.50000111.4E291 L294 Y309 S358 F359 V364 L365 A366E291-V362 HydrophobicContact CB-CG2 3.93Å; E291-V362 HydrophobicContact CG-CG2 4.01Å; L294-V362 HydrophobicContact CD2-CG1 4.1Å; Y309-V362 HydrophobicContact CE2-CG1 3.89Å; S358-V362 PolarHBondContact O-N 3.16Å; F359-V362 HydrophobicContact CD2-CB 4.08Å; F359-V362 HydrophobicContact CD2-CG1 4.36Å; F359-V362 HydrophobicContact CD2-CG2 4.3Å; F359-V362 HydrophobicContact CE2-CB 4.35Å; F359-V362 HydrophobicContact CE2-CG1 4.15Å; F359-V362 PolarHBondContact O-N 3.22Å; V362-V364 VanDerWaalsContact C-N 3.33Å; V362-V364 PolarHBondContact O-N 2.82Å; V362-L365 PolarHBondContact O-N 2.98Å; V362-A366 WeakPolarHBondContact O-CB 3.34Å; V362-A366 PolarHBondContact O-N 3.31Å
363L97.8Very high95.9Very high0 Ų023.6 Ų23.60%014%0.143CC..Hα-helixtrans-61.4-39.8176-72.9167.6000112F313 F359 A360 G361 A366 G367 E368 E371 A372 H375F313-L363 HydrophobicContact CE2-CD2 3.5Å; F313-L363 VanDerWaalsContact CE2-CD2 3.5Å; F313-L363 HydrophobicContact CZ-CD2 3.63Å; F359-L363 HydrophobicContact CD1-CD1 3.76Å; F359-L363 HydrophobicContact CD1-CD2 4.44Å; F359-L363 HydrophobicContact CD1-CG 3.83Å; F359-L363 HydrophobicContact CE1-CD1 3.95Å; F359-L363 HydrophobicContact CE1-CD2 3.86Å; F359-L363 HydrophobicContact CE1-CG 3.73Å; F359-L363 WeakPolarHBondContact O-CB 3.46Å; F359-L363 VanDerWaalsContact O-CG 3.27Å; F359-L363 WeakPolarHBondContact O-CG 3.45Å; F359-L363 PolarHBondContact O-N 3.38Å; A360-L363 PolarHBondContact O-N 2.9Å; G361-L363 VanDerWaalsContact C-N 3.35Å; G361-L363 PolarHBondContact O-N 3.08Å; L363-A366 PolarHBondContact O-N 2.99Å; L363-G367 PolarHBondContact O-N 3.05Å; L363-E368 HydrophobicContact CB-CB 4.26Å; L363-E368 HydrophobicContact CD2-CB 3.82Å; L363-E368 HydrophobicContact CD2-CG 4.41Å; L363-E368 WeakPolarHBondContact O-CA 3.49Å; L363-E368 PolarHBondContact O-N 3.43Å; L363-E371 HydrophobicContact CD1-CB 4.29Å; L363-E371 HydrophobicContact CD1-CG 3.98Å; L363-E371 HydrophobicContact CD2-CB 4.38Å; L363-E371 HydrophobicContact CD2-CG 4.27Å; L363-A372 HydrophobicContact CB-CB 3.63Å; L363-A372 HydrophobicContact CD1-CB 4.42Å; L363-H375 HydrophobicContact CD1-CB 4.2Å
364V97.2Very high95.5Very high18 Ų1823.6 Ų23.611%0.10914%0.144CC..Hα-helixtrans-60.3-48.6173.9167.80000111.1A360 G361 V362 A366 G367 A372 L417 L418 A421A360-V364 WeakPolarHBondContact O-CG2 3.48Å; A360-V364 PolarHBondContact O-N 2.68Å; G361-V364 WeakPolarHBondContact O-CB 3.42Å; G361-V364 PolarHBondContact O-N 3.06Å; V362-V364 VanDerWaalsContact C-N 3.33Å; V362-V364 PolarHBondContact O-N 2.82Å; V364-A366 PolarHBondContact O-N 3.28Å; V364-G367 PolarHBondContact O-N 3.17Å; V364-A372 HydrophobicContact CG2-CB 3.73Å; V364-L417 HydrophobicContact CG1-CB 4.35Å; V364-L418 HydrophobicContact CG2-CD2 3.58Å; V364-L418 HydrophobicContact CG2-CG 3.83Å; V364-A421 HydrophobicContact CG1-CB 3.61Å
365L96.6Very high95.4Very high59 Ų5923.7 Ų23.731%0.30914%0.144SC..Hα-helixtrans-62.7-32178.8-67.3175.8000112.3L294 K295 I298 G361 V362 G367L294-L365 HydrophobicContact CD2-CB 3.72Å; K295-L365 HydrophobicContact CG-CD1 4.16Å; I298-L365 HydrophobicContact CD1-CB 4.32Å; G361-L365 WeakPolarHBondContact O-CG 3.38Å; G361-L365 PolarHBondContact O-N 3.4Å; V362-L365 PolarHBondContact O-N 2.98Å; L365-G367 PolarHBondContact O-N 2.9Å
366A96.8Very high95.3Very high35 Ų3522.7 Ų22.729%0.28914%0.139SC..THydrogen-bonded Turntrans-77.1-6.6175.700000113.8L294 Y309 V362 L363 V364 E368L294-A366 HydrophobicContact CD2-CB 3.93Å; Y309-A366 HydrophobicContact CE1-CB 3.85Å; Y309-A366 VanDerWaalsContact OH-CB 3.27Å; Y309-A366 WeakPolarHBondContact OH-CB 3.4Å; V362-A366 WeakPolarHBondContact O-CB 3.34Å; V362-A366 PolarHBondContact O-N 3.31Å; L363-A366 PolarHBondContact O-N 2.99Å; V364-A366 PolarHBondContact O-N 3.28Å; A366-E368 VanDerWaalsContact C-N 3.33Å; A366-E368 HydrophobicContact CB-CG 4.35Å
367G95.5Very high95Very high55 Ų5522.9 Ų22.957%0.56714%0.14SC*.THydrogen-bonded Turntrans82.45.9-175.300000114.6L363 V364 L365 V369L363-G367 PolarHBondContact O-N 3.05Å; V364-G367 PolarHBondContact O-N 3.17Å; L365-G367 PolarHBondContact O-N 2.9Å; G367-V369 PolarHBondContact O-N 3.24Å; G367-V369 VanDerWaalsContact O-N 3.09Å
368E95Very high94.7Very high88 Ų8823.4 Ų23.441%0.41114%0.143SC..  trans-87.349.9-180-63-67.5174.600111.4F313 L363 A366 D370 E371 A372F313-E368 HydrophobicContact CE1-CG 3.89Å; F313-E368 HydrophobicContact CZ-CG 3.93Å; L363-E368 HydrophobicContact CB-CB 4.26Å; L363-E368 HydrophobicContact CD2-CB 3.82Å; L363-E368 HydrophobicContact CD2-CG 4.41Å; L363-E368 WeakPolarHBondContact O-CA 3.49Å; L363-E368 PolarHBondContact O-N 3.43Å; A366-E368 VanDerWaalsContact C-N 3.33Å; A366-E368 HydrophobicContact CB-CG 4.35Å; E368-D370 VanDerWaalsContact C-N 3.33Å; E368-D370 PolarHBondContact O-N 2.78Å; E368-E371 HydrophobicContact CB-CB 4.41Å; E368-E371 PolarHBondContact O-N 3.29Å; E368-E371 VanDerWaalsContact O-N 3.08Å; E368-A372 PolarHBondContact O-N 3.28Å
369V93.2Very high94.6Very high44 Ų4423.1 Ų23.127%0.26714%0.141SC..Hα-helixtrans-59.3-40.4-170.7-179.50000112.3G367 E371 A372 V373 A421 T422G367-V369 PolarHBondContact O-N 3.24Å; G367-V369 VanDerWaalsContact O-N 3.09Å; V369-E371 VanDerWaalsContact C-N 3.28Å; V369-E371 PolarHBondContact O-N 3.23Å; V369-A372 WeakPolarHBondContact O-CB 3.35Å; V369-A372 PolarHBondContact O-N 3.27Å; V369-V373 HydrophobicContact CG1-CG2 4.3Å; V369-V373 WeakPolarHBondContact O-CB 3.07Å; V369-V373 WeakPolarHBondContact O-CG2 3.09Å; V369-V373 PolarHBondContact O-N 3.37Å; V369-A421 HydrophobicContact CG2-CB 4.49Å; V369-T422 HydrophobicContact CG1-CG2 3.76Å
370D89.1Confident94.5Very high121 Ų12123.6 Ų23.665%0.64714%0.142SC*.Hα-helixtrans-62.1-35.9178.4-80-8.1000112.4C327 E368 C374C327-D370 VanDerWaalsContact CB-O 3.23Å; C327-D370 WeakPolarHBondContact CB-O 3.3Å; C327-D370 PolarHBondContact SG-O 3.09Å; C327-D370 VanDerWaalsContact SG-O 3.38Å; E368-D370 VanDerWaalsContact C-N 3.33Å; E368-D370 PolarHBondContact O-N 2.78Å; D370-C374 PolarHBondContact O-N 2.92Å
371E91.7Very high94.2Very high21 Ų2123.7 Ų23.710%0.09814%0.143CC..Hα-helixtrans-76.4-39.7177.5-168.161.1-157.400110.8R321 Y337 L363 E368 V369 V373 C374 H375R321-E371 IonicContact CZ-OE1 3.35Å; R321-E371 IonicContact CZ-OE2 3.43Å; R321-E371 IonicContact NE-OE1 2.74Å; R321-E371 PolarHBondContact NE-OE1 3.17Å; R321-E371 IonicContact NE-OE2 3.26Å; R321-E371 PolarHBondContact NE-OE2 2.97Å; R321-E371 IonicContact NH2-OE1 3.21Å; R321-E371 PolarHBondContact NH2-OE1 2.69Å; R321-E371 IonicContact NH2-OE2 2.77Å; R321-E371 PolarHBondContact NH2-OE2 3.46Å; Y337-E371 HydrophobicContact CE2-CG 4.22Å; Y337-E371 WeakPolarHBondContact CE2-OE1 3.38Å; Y337-E371 WeakPolarHBondContact OH-CG 3.35Å; Y337-E371 PolarHBondContact OH-OE1 3.44Å; L363-E371 HydrophobicContact CD1-CB 4.29Å; L363-E371 HydrophobicContact CD1-CG 3.98Å; L363-E371 HydrophobicContact CD2-CB 4.38Å; L363-E371 HydrophobicContact CD2-CG 4.27Å; E368-E371 HydrophobicContact CB-CB 4.41Å; E368-E371 PolarHBondContact O-N 3.29Å; E368-E371 VanDerWaalsContact O-N 3.08Å; V369-E371 VanDerWaalsContact C-N 3.28Å; V369-E371 PolarHBondContact O-N 3.23Å; E371-V373 VanDerWaalsContact C-N 3.31Å; E371-V373 PolarHBondContact O-N 3.09Å; E371-C374 PolarHBondContact O-N 3.04Å; E371-C374 VanDerWaalsContact O-N 3.13Å; E371-H375 PolarHBondContact O-N 3.11Å
372A94.7Very high94.1Very high0 Ų023.8 Ų23.80%014%0.144CC..Hα-helixtrans-56.9-44.4174.800000112.1A360 L363 V364 E368 V369 C374 H375 H376 L418A360-A372 HydrophobicContact CB-CB 4.42Å; A360-A372 WeakPolarHBondContact O-CB 3.16Å; L363-A372 HydrophobicContact CB-CB 3.63Å; L363-A372 HydrophobicContact CD1-CB 4.42Å; V364-A372 HydrophobicContact CG2-CB 3.73Å; E368-A372 PolarHBondContact O-N 3.28Å; V369-A372 WeakPolarHBondContact O-CB 3.35Å; V369-A372 PolarHBondContact O-N 3.27Å; A372-C374 VanDerWaalsContact C-N 3.32Å; A372-C374 PolarHBondContact O-N 2.99Å; A372-H375 PolarHBondContact O-N 2.83Å; A372-H376 VanDerWaalsContact O-CB 3.31Å; A372-H376 WeakPolarHBondContact O-CB 3.48Å; A372-H376 PolarHBondContact O-N 2.98Å; A372-L418 HydrophobicContact CB-CD2 3.8Å
373V91.3Very high94Very high7 Ų723.8 Ų23.84%0.04214%0.143CC..Hα-helixtrans-55-47.8175.4167.50000110.2F10 F14 V369 E371 A377 L418 Y427F10-V373 HydrophobicContact CD1-CG1 4.38Å; F10-V373 HydrophobicContact CE1-CG1 3.43Å; F10-V373 VanDerWaalsContact CE1-CG1 3.43Å; F10-V373 WeakPolarHBondContact CE1-O 3.41Å; F10-V373 HydrophobicContact CZ-CG1 4.1Å; F10-V373 WeakPolarHBondContact CZ-O 3.32Å; F14-V373 HydrophobicContact CB-CG1 4.35Å; F14-V373 HydrophobicContact CD1-CG1 4.14Å; F14-V373 HydrophobicContact CD2-CG1 4.38Å; F14-V373 HydrophobicContact CG-CG1 4.06Å; V369-V373 HydrophobicContact CG1-CG2 4.3Å; V369-V373 WeakPolarHBondContact O-CB 3.07Å; V369-V373 WeakPolarHBondContact O-CG2 3.09Å; V369-V373 PolarHBondContact O-N 3.37Å; E371-V373 VanDerWaalsContact C-N 3.31Å; E371-V373 PolarHBondContact O-N 3.09Å; V373-A377 PolarHBondContact O-N 3.46Å; V373-A377 VanDerWaalsContact O-N 3.11Å; V373-L418 HydrophobicContact CG2-CD2 3.91Å; V373-Y427 WeakPolarHBondContact CG2-OH 3.42Å
374C88.7Confident93.8Very high5 Ų527.8 Ų27.83%0.03416%0.161CC..Hα-helixtrans-68-43.1178.8-1030000113.8C327 P335 D370 E371 A372 H376 A377C327-C374 WeakPolarHBondContact CA-SG 3.43Å; C327-C374 HydrophobicContact CB-CB 3.67Å; C327-C374 WeakPolarHBondContact CB-SG 3.44Å; C327-C374 VanDerWaalsContact SG-CA 3.6Å; C327-C374 WeakPolarHBondContact SG-CB 3.26Å; C327-C374 CovalentContact SG-SG 2.01Å; C327-C374 PolarHBondContact SG-SG 3.42Å; P335-C374 HydrophobicContact CG-CB 4.48Å; D370-C374 PolarHBondContact O-N 2.92Å; E371-C374 PolarHBondContact O-N 3.04Å; E371-C374 VanDerWaalsContact O-N 3.13Å; A372-C374 VanDerWaalsContact C-N 3.32Å; A372-C374 PolarHBondContact O-N 2.99Å; C374-H376 VanDerWaalsContact C-N 3.33Å; C374-A377 WeakPolarHBondContact O-CB 3.48Å; C374-A377 PolarHBondContact O-N 2.83Å
375H93.4Very high93.7Very high4 Ų432.1 Ų32.12%0.01918%0.178CC..Hα-helixtrans-59.9-46.6178.5-17272.7000110.7Y337 Q356 A360 L363 E371 A372 A377 L378 Y379Y337-H375 AromaticContact CD2-ND1 3.59Å; Q356-H375 PolarHBondContact O-NE2 2.98Å; A360-H375 HydrophobicContact CB-CB 4.42Å; A360-H375 PolarHBondContact N-CD2 2.97Å; L363-H375 HydrophobicContact CD1-CB 4.2Å; E371-H375 PolarHBondContact O-N 3.11Å; A372-H375 PolarHBondContact O-N 2.83Å; H375-A377 VanDerWaalsContact C-N 3.34Å; H375-A377 PolarHBondContact O-N 3.13Å; H375-L378 PolarHBondContact O-N 3.22Å; H375-Y379 AromaticContact CD2-CE2 3.93Å; H375-Y379 AromaticContact CE1-CE2 3.72Å; H375-Y379 AromaticContact NE2-CE2 3.49Å; H375-Y379 WeakPolarHBondContact NE2-CE2 3.2Å; H375-Y379 VanDerWaalsContact O-CD2 3.29Å; H375-Y379 WeakPolarHBondContact O-CD2 3.44Å
376H95.7Very high93.7Very high1 Ų131 Ų311%0.00517%0.17CC..Hα-helixtrans-60.2-39.5176179.3-85.3000113.2A360 A372 C374 L378 Y379 Y380 F411 T415 L418 Y427A360-H376 HydrophobicContact CB-CB 4.19Å; A372-H376 VanDerWaalsContact O-CB 3.31Å; A372-H376 WeakPolarHBondContact O-CB 3.48Å; A372-H376 PolarHBondContact O-N 2.98Å; C374-H376 VanDerWaalsContact C-N 3.33Å; H376-L378 PolarHBondContact O-N 2.98Å; H376-L378 VanDerWaalsContact O-N 3.15Å; H376-Y379 PolarHBondContact O-N 3.08Å; H376-Y379 VanDerWaalsContact O-N 3.11Å; H376-Y380 PolarHBondContact O-N 3.29Å; H376-F411 AromaticContact CD2-CD2 3.98Å; H376-F411 AromaticContact CD2-CE2 3.52Å; H376-F411 AromaticContact CE1-CE2 3.6Å; H376-F411 AromaticContact CE1-CZ 3.82Å; H376-F411 AromaticContact NE2-CD2 3.9Å; H376-F411 AromaticContact NE2-CE2 3.19Å; H376-F411 WeakPolarHBondContact NE2-CE2 3.25Å; H376-F411 AromaticContact NE2-CZ 3.66Å; H376-T415 PolarHBondContact NE2-OG1 3.48Å; H376-L418 HydrophobicContact CB-CD1 3.42Å; H376-L418 VanDerWaalsContact CB-CD1 3.42Å; H376-Y427 AromaticContact CE1-CD1 3.99Å; H376-Y427 AromaticContact CE1-CE1 3.91Å; H376-Y427 AromaticContact ND1-CE1 3.84Å
377A91.1Very high93.7Very high5 Ų530.1 Ų30.14%0.04116%0.164CC..Hα-helixtrans-55.3-35.9-179.300000113.4F10 V373 C374 H375 A381F10-A377 HydrophobicContact CD1-CB 3.48Å; F10-A377 VanDerWaalsContact CD1-CB 3.48Å; F10-A377 HydrophobicContact CD2-CB 3.91Å; F10-A377 HydrophobicContact CE1-CB 3.39Å; F10-A377 HydrophobicContact CE2-CB 3.81Å; F10-A377 HydrophobicContact CG-CB 3.74Å; F10-A377 HydrophobicContact CZ-CB 3.57Å; V373-A377 PolarHBondContact O-N 3.46Å; V373-A377 VanDerWaalsContact O-N 3.11Å; C374-A377 WeakPolarHBondContact O-CB 3.48Å; C374-A377 PolarHBondContact O-N 2.83Å; H375-A377 VanDerWaalsContact C-N 3.34Å; H375-A377 PolarHBondContact O-N 3.13Å; A377-A381 WeakPolarHBondContact O-CB 3.5Å; A377-A381 PolarHBondContact O-N 3.04Å
378L91.4Very high93.8Very high12 Ų1227.6 Ų27.66%0.06314%0.138CC..Hα-helixtrans-64-50.8178.3176.759.1000111F3 I336 I352 H375 H376 Y380 A381 I382F3-L378 HydrophobicContact CE1-CD1 4.32Å; F3-L378 HydrophobicContact CZ-CD1 3.86Å; I336-L378 HydrophobicContact CB-CD2 4.36Å; I336-L378 HydrophobicContact CD1-CD2 3.71Å; I336-L378 HydrophobicContact CG1-CD2 3.76Å; I352-L378 HydrophobicContact CD1-CD2 3.51Å; I352-L378 HydrophobicContact CD1-CG 4.15Å; H375-L378 PolarHBondContact O-N 3.22Å; H376-L378 PolarHBondContact O-N 2.98Å; H376-L378 VanDerWaalsContact O-N 3.15Å; L378-Y380 VanDerWaalsContact C-N 3.34Å; L378-Y380 PolarHBondContact O-N 3.06Å; L378-A381 WeakPolarHBondContact O-CB 3.16Å; L378-A381 PolarHBondContact O-N 3.28Å; L378-I382 HydrophobicContact CD1-CD1 4.43Å; L378-I382 HydrophobicContact CG-CD1 4.32Å; L378-I382 WeakPolarHBondContact O-CG1 3.46Å; L378-I382 PolarHBondContact O-N 3.41Å; L378-I382 VanDerWaalsContact O-N 3.1Å
379Y96Very high93.9Very high4 Ų423.6 Ų23.62%0.01612%0.119CC..Hα-helixtrans-65.9-37.5178.4-65.1-81.1000111.8I352 Q356 A357 H375 H376 A381 I382 W383 L389I352-Y379 HydrophobicContact CD1-CE1 4.1Å; Q356-Y379 VanDerWaalsContact CB-OH 3.24Å; Q356-Y379 WeakPolarHBondContact CB-OH 3.45Å; Q356-Y379 WeakPolarHBondContact CG-OH 3.47Å; A357-Y379 HydrophobicContact CB-CD1 3.79Å; A357-Y379 HydrophobicContact CB-CD2 4.03Å; A357-Y379 HydrophobicContact CB-CE1 4.01Å; A357-Y379 HydrophobicContact CB-CE2 4.26Å; A357-Y379 HydrophobicContact CB-CG 3.81Å; H375-Y379 AromaticContact CD2-CE2 3.93Å; H375-Y379 AromaticContact CE1-CE2 3.72Å; H375-Y379 AromaticContact NE2-CE2 3.49Å; H375-Y379 WeakPolarHBondContact NE2-CE2 3.2Å; H375-Y379 VanDerWaalsContact O-CD2 3.29Å; H375-Y379 WeakPolarHBondContact O-CD2 3.44Å; H376-Y379 PolarHBondContact O-N 3.08Å; H376-Y379 VanDerWaalsContact O-N 3.11Å; Y379-A381 VanDerWaalsContact C-N 3.32Å; Y379-A381 PolarHBondContact O-N 2.93Å; Y379-I382 WeakPolarHBondContact O-CB 3.35Å; Y379-I382 PolarHBondContact O-N 3.06Å; Y379-I382 VanDerWaalsContact O-N 3.13Å; Y379-W383 PolarHBondContact O-N 3.34Å; Y379-L389 HydrophobicContact CD1-CD1 3.9Å; Y379-L389 HydrophobicContact CD1-CD2 4.42Å; Y379-L389 WeakPolarHBondContact O-CD2 3.37Å
380Y96Very high94.1Very high12 Ų1221.6 Ų21.65%0.04711%0.107CC..Hα-helixtrans-59.2-43.4171.8178.7-125.1000111.9F10 H376 L378 I382 W383 K384 F411 F426 V430 E433F10-Y380 HydrophobicContact CD2-CD1 4.11Å; F10-Y380 HydrophobicContact CE2-CD1 4.39Å; H376-Y380 PolarHBondContact O-N 3.29Å; L378-Y380 VanDerWaalsContact C-N 3.34Å; L378-Y380 PolarHBondContact O-N 3.06Å; Y380-I382 VanDerWaalsContact C-N 3.27Å; Y380-I382 PolarHBondContact O-N 3.09Å; Y380-W383 PolarHBondContact O-N 3.4Å; Y380-K384 HydrophobicContact CD2-CD 4.37Å; Y380-K384 HydrophobicContact CD2-CG 4.12Å; Y380-K384 HydrophobicContact CE1-CG 4.19Å; Y380-K384 HydrophobicContact CE2-CD 3.55Å; Y380-K384 HydrophobicContact CE2-CG 3.72Å; Y380-K384 VanDerWaalsContact O-CG 3.31Å; Y380-K384 WeakPolarHBondContact O-CG 3.36Å; Y380-K384 PolarHBondContact O-N 2.88Å; Y380-F411 VanDerWaalsContact CA-CZ 3.46Å; Y380-F411 HydrophobicContact CD2-CZ 4.17Å; Y380-F411 HydrophobicContact CG-CZ 4.45Å; Y380-F426 AromaticContact CD1-CZ 3.82Å; Y380-F426 HydrophobicContact CD1-CZ 3.82Å; Y380-F426 AromaticContact CE1-CE2 3.93Å; Y380-F426 HydrophobicContact CE1-CE2 3.93Å; Y380-F426 AromaticContact CE1-CZ 3.64Å; Y380-F426 HydrophobicContact CE1-CZ 3.64Å; Y380-F426 HydrophobicContact CG-CZ 4.47Å; Y380-V430 HydrophobicContact CD2-CB 4.47Å; Y380-V430 HydrophobicContact CD2-CG1 3.85Å; Y380-V430 HydrophobicContact CD2-CG2 3.86Å; Y380-V430 HydrophobicContact CE2-CB 4.34Å; Y380-V430 HydrophobicContact CE2-CG1 4.11Å; Y380-V430 HydrophobicContact CE2-CG2 3.66Å; Y380-V430 HydrophobicContact CG-CG2 4.38Å; Y380-E433 PolarHBondContact OH-OE2 3.16Å
381A91.3Very high94.5Very high2 Ų217.2 Ų17.22%0.0178%0.083CC..Hα-helixtrans-63.5-33.3176.900000112.9F3 V7 A377 L378 Y379 K385F3-A381 HydrophobicContact CE2-CB 4.02Å; F3-A381 HydrophobicContact CZ-CB 4.26Å; V7-A381 HydrophobicContact CG2-CB 3.97Å; A377-A381 WeakPolarHBondContact O-CB 3.5Å; A377-A381 PolarHBondContact O-N 3.04Å; L378-A381 WeakPolarHBondContact O-CB 3.16Å; L378-A381 PolarHBondContact O-N 3.28Å; Y379-A381 VanDerWaalsContact C-N 3.32Å; Y379-A381 PolarHBondContact O-N 2.93Å; A381-K385 PolarHBondContact O-N 2.88Å
382I94.9Very high94.8Very high3 Ų320.7 Ų20.72%0.01510%0.095CC..Hα-helixtrans-70.2-47.7174.2-63.1165.8000110.1F3 I352 L378 Y379 Y380 K384 K385 Y386 L389 P390 F393F3-I382 HydrophobicContact CE2-CG1 4.36Å; I352-I382 HydrophobicContact CD1-CD1 4.28Å; L378-I382 HydrophobicContact CD1-CD1 4.43Å; L378-I382 HydrophobicContact CG-CD1 4.32Å; L378-I382 WeakPolarHBondContact O-CG1 3.46Å; L378-I382 PolarHBondContact O-N 3.41Å; L378-I382 VanDerWaalsContact O-N 3.1Å; Y379-I382 WeakPolarHBondContact O-CB 3.35Å; Y379-I382 PolarHBondContact O-N 3.06Å; Y379-I382 VanDerWaalsContact O-N 3.13Å; Y380-I382 VanDerWaalsContact C-N 3.27Å; Y380-I382 PolarHBondContact O-N 3.09Å; I382-K384 VanDerWaalsContact C-N 3.34Å; I382-K384 PolarHBondContact O-N 3.42Å; I382-K385 WeakPolarHBondContact O-CA 3.41Å; I382-K385 WeakPolarHBondContact O-CB 3.45Å; I382-K385 PolarHBondContact O-N 2.92Å; I382-Y386 HydrophobicContact CG2-CD2 3.85Å; I382-Y386 HydrophobicContact CG2-CE2 4.09Å; I382-Y386 WeakPolarHBondContact O-CD2 3.22Å; I382-Y386 PolarHBondContact O-N 2.83Å; I382-Y386 VanDerWaalsContact O-N 3.16Å; I382-L389 HydrophobicContact CB-CD2 3.91Å; I382-L389 HydrophobicContact CG2-CD2 3.72Å; I382-P390 HydrophobicContact CG2-CG 4.14Å; I382-F393 HydrophobicContact CD1-CB 4.04Å; I382-F393 HydrophobicContact CD1-CD1 3.53Å; I382-F393 HydrophobicContact CD1-CD2 4.35Å; I382-F393 HydrophobicContact CD1-CE1 4.01Å; I382-F393 HydrophobicContact CD1-CG 3.71Å; I382-F393 HydrophobicContact CG1-CD1 4.04Å; I382-F393 HydrophobicContact CG1-CD2 4.29Å; I382-F393 HydrophobicContact CG1-CE1 4.07Å; I382-F393 HydrophobicContact CG1-CE2 4.33Å; I382-F393 HydrophobicContact CG1-CG 4.13Å; I382-F393 HydrophobicContact CG1-CZ 4.21Å; I382-F393 HydrophobicContact CG2-CD2 4.23Å; I382-F393 HydrophobicContact CG2-CG 4.5Å
383W97.1Very high94.9Very high3 Ų320.9 Ų20.91%0.01110%0.096CC..Hα-helixtrans-55.7-47.2175.6-167.4-78.6000111.5Y379 Y380 K385 Y386 G387 V388 L389 Y405 F411 I434 S437 L438Y379-W383 PolarHBondContact O-N 3.34Å; Y380-W383 PolarHBondContact O-N 3.4Å; W383-K385 PolarHBondContact O-N 3.1Å; W383-Y386 PolarHBondContact O-N 3.48Å; W383-G387 WeakPolarHBondContact CZ2-O 3.39Å; W383-G387 PolarHBondContact NE1-O 2.88Å; W383-G387 WeakPolarHBondContact O-CA 3.36Å; W383-G387 PolarHBondContact O-N 3.29Å; W383-V388 HydrophobicContact CH2-CG1 4.18Å; W383-V388 HydrophobicContact CZ2-CG1 4.32Å; W383-L389 HydrophobicContact CB-CD2 4.27Å; W383-L389 HydrophobicContact CE3-CD2 4.14Å; W383-L389 HydrophobicContact CE3-CG 3.82Å; W383-L389 HydrophobicContact CZ3-CG 4.23Å; W383-Y405 HydrophobicContact CZ3-CE2 4.33Å; W383-F411 HydrophobicContact CB-CE1 3.96Å; W383-F411 AromaticContact CD2-CD1 4Å; W383-F411 HydrophobicContact CD2-CD1 4Å; W383-F411 AromaticContact CD2-CE1 3.96Å; W383-F411 HydrophobicContact CD2-CE1 3.96Å; W383-F411 AromaticContact CE3-CD1 3.45Å; W383-F411 HydrophobicContact CE3-CD1 3.45Å; W383-F411 VanDerWaalsContact CE3-CD1 3.45Å; W383-F411 AromaticContact CE3-CE1 3.89Å; W383-F411 HydrophobicContact CE3-CE1 3.89Å; W383-F411 HydrophobicContact CE3-CG 4.44Å; W383-F411 HydrophobicContact CG-CD1 4.46Å; W383-F411 AromaticContact CG-CE1 3.98Å; W383-F411 HydrophobicContact CG-CE1 3.98Å; W383-F411 AromaticContact CZ3-CD1 3.99Å; W383-F411 HydrophobicContact CZ3-CD1 3.99Å; W383-I434 HydrophobicContact CD2-CG1 4.14Å; W383-I434 HydrophobicContact CH2-CB 4.45Å; W383-I434 HydrophobicContact CH2-CG1 4.38Å; W383-I434 HydrophobicContact CH2-CG2 3.75Å; W383-I434 HydrophobicContact CZ2-CB 3.81Å; W383-I434 HydrophobicContact CZ2-CG1 3.84Å; W383-I434 HydrophobicContact CZ2-CG2 3.53Å; W383-S437 PolarHBondContact NE1-OG 3.35Å; W383-L438 HydrophobicContact CH2-CD2 4.39Å; W383-L438 HydrophobicContact CH2-CG 4.49Å; W383-L438 HydrophobicContact CZ2-CG 4.48Å
384K94.2Very high95.2Very high85 Ų8520.7 Ų20.737%0.3710%0.095SC..Hα-helixtrans-57.7-25175.4-71.9-55.1-59.5-176.70113.8Y380 I382 E433Y380-K384 HydrophobicContact CD2-CD 4.37Å; Y380-K384 HydrophobicContact CD2-CG 4.12Å; Y380-K384 HydrophobicContact CE1-CG 4.19Å; Y380-K384 HydrophobicContact CE2-CD 3.55Å; Y380-K384 HydrophobicContact CE2-CG 3.72Å; Y380-K384 VanDerWaalsContact O-CG 3.31Å; Y380-K384 WeakPolarHBondContact O-CG 3.36Å; Y380-K384 PolarHBondContact O-N 2.88Å; I382-K384 VanDerWaalsContact C-N 3.34Å; I382-K384 PolarHBondContact O-N 3.42Å; K384-E433 WeakPolarHBondContact CD-OE2 3.36Å; K384-E433 WeakPolarHBondContact CE-OE2 3.2Å; K384-E433 IonicContact NZ-OE1 2.72Å; K384-E433 PolarHBondContact NZ-OE1 3.3Å; K384-E433 IonicContact NZ-OE2 2.93Å; K384-E433 PolarHBondContact NZ-OE2 2.93Å
385K93.9Very high95.3Very high108 Ų10823.8 Ų23.847%0.4711%0.105SC..Hα-helixtrans-85.1-41.1-177.8-173.7178.9175.1-162.80112A381 I382 W383 Q398A381-K385 PolarHBondContact O-N 2.88Å; I382-K385 WeakPolarHBondContact O-CA 3.41Å; I382-K385 WeakPolarHBondContact O-CB 3.45Å; I382-K385 PolarHBondContact O-N 2.92Å; W383-K385 PolarHBondContact O-N 3.1Å; K385-Q398 PolarHBondContact NZ-O 3.25Å
386Y96Very high95.1Very high37 Ų3729.2 Ų29.215%0.14513%0.131CC..Hα-helixtrans-114.3-9-170.4-58.7-69000114.4I382 W383 V388 P390 F393 Q398 P400 V454I382-Y386 HydrophobicContact CG2-CD2 3.85Å; I382-Y386 HydrophobicContact CG2-CE2 4.09Å; I382-Y386 WeakPolarHBondContact O-CD2 3.22Å; I382-Y386 PolarHBondContact O-N 2.83Å; I382-Y386 VanDerWaalsContact O-N 3.16Å; W383-Y386 PolarHBondContact O-N 3.48Å; Y386-V388 WeakPolarHBondContact CB-O 3.37Å; Y386-V388 PolarHBondContact O-N 3.01Å; Y386-P390 HydrophobicContact CD2-CG 4.25Å; Y386-P390 HydrophobicContact CE2-CG 4.25Å; Y386-F393 HydrophobicContact CE2-CD2 4.06Å; Y386-F393 AromaticContact CE2-CE2 3.89Å; Y386-F393 HydrophobicContact CE2-CE2 3.89Å; Y386-Q398 PolarHBondContact OH-O 3.35Å; Y386-P400 HydrophobicContact CE1-CG 4.06Å; Y386-P400 HydrophobicContact CE2-CG 4.38Å; Y386-P400 WeakPolarHBondContact OH-CD 3.33Å; Y386-V454 HydrophobicContact CD1-CG2 4.04Å; Y386-V454 HydrophobicContact CG-CG2 4.13Å
387G96.5Very high95Very high16 Ų1635.1 Ų35.117%0.16516%0.162CC..SBendtrans81.6-27.4-172.900000113.3W383 S437W383-G387 WeakPolarHBondContact CZ2-O 3.39Å; W383-G387 PolarHBondContact NE1-O 2.88Å; W383-G387 WeakPolarHBondContact O-CA 3.36Å; W383-G387 PolarHBondContact O-N 3.29Å; G387-S437 WeakPolarHBondContact CA-OG 3.35Å; G387-S437 WeakPolarHBondContact O-CB 3.31Å; G387-S437 PolarHBondContact O-OG 2.82Å
388V97.8Very high95Very high1 Ų138.7 Ų38.71%0.00618%0.178CC..SBendtrans-139.8171.3173.8-72.30000109.5W383 Y386 Y405 I441 V451 V454W383-V388 HydrophobicContact CH2-CG1 4.18Å; W383-V388 HydrophobicContact CZ2-CG1 4.32Å; Y386-V388 WeakPolarHBondContact CB-O 3.37Å; Y386-V388 PolarHBondContact O-N 3.01Å; V388-Y405 HydrophobicContact CB-CD1 3.55Å; V388-Y405 HydrophobicContact CB-CD2 4.23Å; V388-Y405 HydrophobicContact CB-CE1 3.84Å; V388-Y405 HydrophobicContact CB-CE2 4.48Å; V388-Y405 HydrophobicContact CB-CG 3.75Å; V388-Y405 HydrophobicContact CG1-CD1 3.58Å; V388-Y405 HydrophobicContact CG1-CE1 3.53Å; V388-Y405 HydrophobicContact CG1-CG 4.31Å; V388-Y405 HydrophobicContact CG2-CD1 4.06Å; V388-Y405 HydrophobicContact CG2-CG 4.14Å; V388-I441 HydrophobicContact CG1-CD1 4.38Å; V388-V451 HydrophobicContact CG2-CG2 4.33Å; V388-V454 HydrophobicContact CG2-CB 4.23Å; V388-V454 HydrophobicContact CG2-CG1 3.46Å; V388-V454 VanDerWaalsContact CG2-CG1 3.46Å
389L97.9Very high95.2Very high4 Ų439.8 Ų39.82%0.02119%0.189CC..  trans-86.8126.4176.4-63.2-176.7000111A357 Y379 I382 W383 Y405 F411A357-L389 HydrophobicContact CB-CD1 4.39Å; Y379-L389 HydrophobicContact CD1-CD1 3.9Å; Y379-L389 HydrophobicContact CD1-CD2 4.42Å; Y379-L389 WeakPolarHBondContact O-CD2 3.37Å; I382-L389 HydrophobicContact CB-CD2 3.91Å; I382-L389 HydrophobicContact CG2-CD2 3.72Å; W383-L389 HydrophobicContact CB-CD2 4.27Å; W383-L389 HydrophobicContact CE3-CD2 4.14Å; W383-L389 HydrophobicContact CE3-CG 3.82Å; W383-L389 HydrophobicContact CZ3-CG 4.23Å; L389-Y405 HydrophobicContact CB-CD2 4.32Å; L389-Y405 HydrophobicContact CB-CE2 4.49Å; L389-Y405 VanDerWaalsContact O-CB 3.29Å; L389-Y405 WeakPolarHBondContact O-CB 3.45Å; L389-Y405 WeakPolarHBondContact O-CD2 3.39Å; L389-F411 HydrophobicContact CD1-CB 3.8Å; L389-F411 HydrophobicContact CD1-CG 4.24Å
390P98.1Very high95.2Very high3 Ų340.6 Ų40.62%0.01919%0.194CC..  trans-63.7142.9163.127.8-31.9000110.1I382 Y386 R392 F393 P400 V402 F404 V454I382-P390 HydrophobicContact CG2-CG 4.14Å; Y386-P390 HydrophobicContact CD2-CG 4.25Å; Y386-P390 HydrophobicContact CE2-CG 4.25Å; P390-R392 PolarHBondContact O-N 3.48Å; P390-R392 VanDerWaalsContact O-N 3.14Å; P390-F393 HydrophobicContact CG-CB 4.14Å; P390-F393 HydrophobicContact CG-CD2 4.2Å; P390-P400 HydrophobicContact CB-CB 3.7Å; P390-P400 HydrophobicContact CB-CG 4.04Å; P390-P400 HydrophobicContact CG-CB 4.2Å; P390-P400 HydrophobicContact CG-CG 4.2Å; P390-V402 WeakPolarHBondContact CB-O 3.38Å; P390-F404 CarbonylContact C-O 3.5Å; P390-V454 HydrophobicContact CB-CG1 4.42Å; P390-V454 HydrophobicContact CB-CG2 3.93Å
391E97.6Very high95.2Very high28 Ų2843.6 Ų43.613%0.13121%0.211CC..SBendtrans-53.9-36.5-179.5-173.866.3-16800112D353 S354 V402 F404 P406 R408D353-E391 CarbonylContact C-O 3.57Å; D353-E391 WeakPolarHBondContact CA-O 3.38Å; D353-E391 WeakPolarHBondContact CB-O 3.48Å; S354-E391 PolarHBondContact N-O 3.36Å; S354-E391 VanDerWaalsContact N-O 3.1Å; S354-E391 PolarHBondContact OG-OE2 3.09Å; E391-V402 HydrophobicContact CB-CB 4.08Å; E391-V402 HydrophobicContact CB-CG1 3.77Å; E391-V402 HydrophobicContact CG-CG1 4.13Å; E391-V402 PolarHBondContact N-O 2.79Å; E391-V402 VanDerWaalsContact N-O 3.14Å; E391-F404 WeakPolarHBondContact CA-O 3.32Å; E391-F404 HydrophobicContact CB-CB 4.11Å; E391-F404 HydrophobicContact CB-CD1 4.47Å; E391-F404 VanDerWaalsContact CB-O 3.28Å; E391-F404 WeakPolarHBondContact CB-O 3.44Å; E391-F404 PolarHBondContact N-O 2.98Å; E391-P406 WeakPolarHBondContact OE2-CD 3.47Å; E391-R408 IonicContact OE1-CZ 3.99Å; E391-R408 IonicContact OE1-NE 3.33Å; E391-R408 PolarHBondContact OE1-NE 3.2Å; E391-R408 IonicContact OE1-NH2 3.66Å; E391-R408 PolarHBondContact OE1-NH2 3.03Å; E391-R408 IonicContact OE2-CZ 2.98Å; E391-R408 IonicContact OE2-NE 3.62Å; E391-R408 PolarHBondContact OE2-NE 3.19Å; E391-R408 IonicContact OE2-NH2 2.78Å; E391-R408 PolarHBondContact OE2-NH2 2.91Å
392R97.8Very high95.5Very high94 Ų9446 Ų4636%0.35523%0.226SC..EExtended strand (participates in β ladder)trans-135.4124.9168.6-65.2-176.7-179.8155.62.4111.1W351 I352 D353 P390 P400 D401 V402W351-R392 HydrophobicContact CB-CB 4.43Å; W351-R392 HydrophobicContact CD2-CG 4.33Å; W351-R392 HydrophobicContact CE3-CB 4.42Å; W351-R392 HydrophobicContact CE3-CG 3.94Å; W351-R392 HydrophobicContact CZ3-CG 4.31Å; I352-R392 CarbonylContact O-C 3.52Å; I352-R392 WeakPolarHBondContact O-CA 3.35Å; D353-R392 HydrophobicContact CB-CG 4.13Å; P390-R392 PolarHBondContact O-N 3.48Å; P390-R392 VanDerWaalsContact O-N 3.14Å; R392-P400 CarbonylContact O-C 3.41Å; R392-P400 WeakPolarHBondContact O-CA 3.26Å; R392-D401 HydrophobicContact CB-CB 4.18Å; R392-D401 PolarHBondContact O-N 3.33Å; R392-V402 HydrophobicContact CB-CB 3.93Å; R392-V402 HydrophobicContact CB-CG2 4Å; R392-V402 HydrophobicContact CG-CB 4.2Å; R392-V402 HydrophobicContact CG-CG2 4.06Å; R392-V402 PolarHBondContact N-O 3.29Å; R392-V402 VanDerWaalsContact N-O 3.12Å; R392-V402 PolarHBondContact O-N 3.1Å
393F97.1Very high95.6Very high4 Ų446.9 Ų46.92%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-108.2122.7175.5-177.7-102000111.1F3 W351 I352 I382 Y386 P390 W395 Q398F3-F393 HydrophobicContact CE2-CZ 4.18Å; F3-F393 HydrophobicContact CZ-CE1 4.35Å; F3-F393 HydrophobicContact CZ-CZ 4.4Å; W351-F393 CarbonylContact C-O 3.57Å; W351-F393 VanDerWaalsContact CA-O 3.23Å; W351-F393 WeakPolarHBondContact CA-O 3.35Å; I352-F393 HydrophobicContact CG1-CB 4.32Å; I352-F393 PolarHBondContact N-O 2.81Å; I352-F393 PolarHBondContact O-N 2.94Å; I382-F393 HydrophobicContact CD1-CB 4.04Å; I382-F393 HydrophobicContact CD1-CD1 3.53Å; I382-F393 HydrophobicContact CD1-CD2 4.35Å; I382-F393 HydrophobicContact CD1-CE1 4.01Å; I382-F393 HydrophobicContact CD1-CG 3.71Å; I382-F393 HydrophobicContact CG1-CD1 4.04Å; I382-F393 HydrophobicContact CG1-CD2 4.29Å; I382-F393 HydrophobicContact CG1-CE1 4.07Å; I382-F393 HydrophobicContact CG1-CE2 4.33Å; I382-F393 HydrophobicContact CG1-CG 4.13Å; I382-F393 HydrophobicContact CG1-CZ 4.21Å; I382-F393 HydrophobicContact CG2-CD2 4.23Å; I382-F393 HydrophobicContact CG2-CG 4.5Å; Y386-F393 HydrophobicContact CE2-CD2 4.06Å; Y386-F393 AromaticContact CE2-CE2 3.89Å; Y386-F393 HydrophobicContact CE2-CE2 3.89Å; P390-F393 HydrophobicContact CG-CB 4.14Å; P390-F393 HydrophobicContact CG-CD2 4.2Å; F393-W395 HydrophobicContact CE1-CB 4.46Å; F393-W395 PolarHBondContact O-N 3.38Å; F393-Q398 HydrophobicContact CZ-CB 4.28Å
394N96.5Very high95.5Very high4 Ų449.2 Ų49.22%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-80.9110.3173.6-162.9-62.6000110.5T350 Q396 L397 Q398 A399 D401T350-N394 CarbonylContact O-C 3.49Å; T350-N394 VanDerWaalsContact O-CA 3.3Å; T350-N394 WeakPolarHBondContact O-CA 3.41Å; T350-N394 PolarHBondContact O-OD1 3.18Å; T350-N394 PolarHBondContact OG1-ND2 3.22Å; N394-Q396 VanDerWaalsContact C-N 3.3Å; N394-Q396 PolarHBondContact O-N 3Å; N394-Q396 PolarHBondContact OD1-N 2.71Å; N394-Q396 VanDerWaalsContact OD1-N 3.14Å; N394-L397 HydrophobicContact CB-CB 4.06Å; N394-L397 HydrophobicContact CB-CD1 4.44Å; N394-L397 HydrophobicContact CB-CG 4.44Å; N394-L397 PolarHBondContact OD1-N 3.3Å; N394-Q398 WeakPolarHBondContact O-CA 3.27Å; N394-Q398 PolarHBondContact O-N 2.92Å; N394-A399 WeakPolarHBondContact CB-O 3.49Å; N394-A399 PolarHBondContact N-O 2.66Å; N394-A399 PolarHBondContact O-N 3.14Å; N394-D401 WeakPolarHBondContact CB-OD1 3.19Å; N394-D401 PolarHBondContact ND2-OD1 2.94Å; N394-D401 PolarHBondContact ND2-OD2 3.1Å
395W90.3Very high95.7Very high69 Ų6945.2 Ų45.226%0.26123%0.225SC..THydrogen-bonded Turntrans-75.3-18.9-175.155.3-96.8000113.3I336 V338 T347 T350 F393I336-W395 HydrophobicContact CD1-CB 3.78Å; I336-W395 HydrophobicContact CD1-CD2 4.24Å; I336-W395 HydrophobicContact CD1-CG 3.67Å; V338-W395 HydrophobicContact CG1-CZ2 3.86Å; T347-W395 HydrophobicContact CG2-CZ2 4.39Å; T350-W395 VanDerWaalsContact C-CD1 3.45Å; T350-W395 HydrophobicContact CG2-CZ2 4.42Å; T350-W395 PolarHBondContact O-N 3.01Å; T350-W395 PolarHBondContact O-NE1 2.73Å; F393-W395 HydrophobicContact CE1-CB 4.46Å; F393-W395 PolarHBondContact O-N 3.38Å
396Q89.9Confident95.9Very high118 Ų11840.2 Ų40.255%0.55120%0.204SC*.THydrogen-bonded Turntrans-82.7-48.7173.4-67.5-169.7-100112T350 N394 Q398T350-Q396 HydrophobicContact CG2-CG 3.99Å; N394-Q396 VanDerWaalsContact C-N 3.3Å; N394-Q396 PolarHBondContact O-N 3Å; N394-Q396 PolarHBondContact OD1-N 2.71Å; N394-Q396 VanDerWaalsContact OD1-N 3.14Å; Q396-Q398 PolarHBondContact O-N 3.14Å
397L93.2Very high96Very high125 Ų12538.5 Ų38.565%0.65420%0.197SC*.THydrogen-bonded Turntrans-75.4-17.1178.3-60.2178.4000112.4N394 A399N394-L397 HydrophobicContact CB-CB 4.06Å; N394-L397 HydrophobicContact CB-CD1 4.44Å; N394-L397 HydrophobicContact CB-CG 4.44Å; N394-L397 PolarHBondContact OD1-N 3.3Å; L397-A399 HydrophobicContact CB-CB 4.39Å; L397-A399 PolarHBondContact O-N 3.12Å
398Q91.5Very high96.1Very high81 Ų8139.5 Ų39.538%0.37920%0.196SC..THydrogen-bonded Turntrans56.138.4-174.2-53.2-169.5-3700112.4K385 Y386 F393 N394 Q396K385-Q398 PolarHBondContact NZ-O 3.25Å; Y386-Q398 PolarHBondContact OH-O 3.35Å; F393-Q398 HydrophobicContact CZ-CB 4.28Å; N394-Q398 WeakPolarHBondContact O-CA 3.27Å; N394-Q398 PolarHBondContact O-N 2.92Å; Q396-Q398 PolarHBondContact O-N 3.14Å
399A94.6Very high96.1Very high35 Ų3539.6 Ų39.629%0.28920%0.196SC..EExtended strand (participates in β ladder)trans-142.2159.6-174.700000110.8N394 L397N394-A399 WeakPolarHBondContact CB-O 3.49Å; N394-A399 PolarHBondContact N-O 2.66Å; N394-A399 PolarHBondContact O-N 3.14Å; L397-A399 HydrophobicContact CB-CB 4.39Å; L397-A399 PolarHBondContact O-N 3.12Å
400P96.9Very high96.2Very high21 Ų2140.5 Ų40.514%0.13620%0.2CC..EExtended strand (participates in β ladder)trans-67.5134173.8-17.535.1000110.8Y386 P390 R392 V454 I455Y386-P400 HydrophobicContact CE1-CG 4.06Å; Y386-P400 HydrophobicContact CE2-CG 4.38Å; Y386-P400 WeakPolarHBondContact OH-CD 3.33Å; P390-P400 HydrophobicContact CB-CB 3.7Å; P390-P400 HydrophobicContact CB-CG 4.04Å; P390-P400 HydrophobicContact CG-CB 4.2Å; P390-P400 HydrophobicContact CG-CG 4.2Å; R392-P400 CarbonylContact O-C 3.41Å; R392-P400 WeakPolarHBondContact O-CA 3.26Å; P400-V454 HydrophobicContact CG-CG2 3.89Å; P400-I455 HydrophobicContact CG-CD1 4.1Å; P400-I455 HydrophobicContact CG-CG1 4.14Å
401D96.2Very high96.2Very high75 Ų7540.5 Ų40.540%0.40120%0.2SC..EExtended strand (participates in β ladder)trans-89.1-31.2163.1-83.3-4.2000110.3R392 N394R392-D401 HydrophobicContact CB-CB 4.18Å; R392-D401 PolarHBondContact O-N 3.33Å; N394-D401 WeakPolarHBondContact CB-OD1 3.19Å; N394-D401 PolarHBondContact ND2-OD1 2.94Å; N394-D401 PolarHBondContact ND2-OD2 3.1Å
402V97.4Very high96.2Very high53 Ų5339.1 Ų39.132%0.32119%0.194SC..EExtended strand (participates in β ladder)trans-133.1111.6170.6-1770000107.1P390 E391 R392 F404P390-V402 WeakPolarHBondContact CB-O 3.38Å; E391-V402 HydrophobicContact CB-CB 4.08Å; E391-V402 HydrophobicContact CB-CG1 3.77Å; E391-V402 HydrophobicContact CG-CG1 4.13Å; E391-V402 PolarHBondContact N-O 2.79Å; E391-V402 VanDerWaalsContact N-O 3.14Å; R392-V402 HydrophobicContact CB-CB 3.93Å; R392-V402 HydrophobicContact CB-CG2 4Å; R392-V402 HydrophobicContact CG-CB 4.2Å; R392-V402 HydrophobicContact CG-CG2 4.06Å; R392-V402 PolarHBondContact N-O 3.29Å; R392-V402 VanDerWaalsContact N-O 3.12Å; R392-V402 PolarHBondContact O-N 3.1Å; V402-F404 VanDerWaalsContact C-N 3.28Å; V402-F404 HydrophobicContact CG1-CB 4.07Å; V402-F404 PolarHBondContact O-N 2.99Å
403S97.1Very high96.3Very high21 Ų2135 Ų3515%0.14718%0.178CC..  trans-81.93-172.2-56.90000115D453 V454S403-D453 WeakPolarHBondContact CB-OD1 3.33Å; S403-D453 CarbonylContact O-C 3.41Å; S403-D453 WeakPolarHBondContact O-CA 3.45Å; S403-D453 PolarHBondContact OG-OD1 3.34Å; S403-V454 VanDerWaalsContact O-CG1 3.22Å; S403-V454 WeakPolarHBondContact O-CG1 3.47Å; S403-V454 PolarHBondContact O-N 3.28Å
404F95.9Very high96.3Very high52 Ų5234.9 Ų34.923%0.22818%0.178CC..  trans-72.3149.6-175.9-178-110.3000112P390 E391 V402 P406 T450 V451 H452P390-F404 CarbonylContact C-O 3.5Å; E391-F404 WeakPolarHBondContact CA-O 3.32Å; E391-F404 HydrophobicContact CB-CB 4.11Å; E391-F404 HydrophobicContact CB-CD1 4.47Å; E391-F404 VanDerWaalsContact CB-O 3.28Å; E391-F404 WeakPolarHBondContact CB-O 3.44Å; E391-F404 PolarHBondContact N-O 2.98Å; V402-F404 VanDerWaalsContact C-N 3.28Å; V402-F404 HydrophobicContact CG1-CB 4.07Å; V402-F404 PolarHBondContact O-N 2.99Å; F404-P406 HydrophobicContact CD1-CB 4.29Å; F404-P406 HydrophobicContact CD1-CG 4.03Å; F404-P406 HydrophobicContact CE1-CB 3.46Å; F404-P406 VanDerWaalsContact CE1-CB 3.46Å; F404-P406 HydrophobicContact CE1-CG 3.54Å; F404-P406 HydrophobicContact CZ-CB 3.79Å; F404-P406 HydrophobicContact CZ-CG 4.36Å; F404-T450 HydrophobicContact CD2-CG2 3.9Å; F404-T450 HydrophobicContact CE1-CG2 4.35Å; F404-T450 HydrophobicContact CE2-CG2 3.14Å; F404-T450 HydrophobicContact CZ-CG2 3.42Å; F404-T450 VanDerWaalsContact CZ-CG2 3.42Å; F404-V451 CarbonylContact C-O 3.59Å; F404-H452 WeakPolarHBondContact CA-O 3.19Å
405Y98.3Very high96.5Very high0 Ų034.7 Ų34.70%018%0.177CC..BIsolated β-bridgetrans-144.8103.7169.6174.2-106.5000110.3W383 V388 L389 L407 R408 L438 V451W383-Y405 HydrophobicContact CZ3-CE2 4.33Å; V388-Y405 HydrophobicContact CB-CD1 3.55Å; V388-Y405 HydrophobicContact CB-CD2 4.23Å; V388-Y405 HydrophobicContact CB-CE1 3.84Å; V388-Y405 HydrophobicContact CB-CE2 4.48Å; V388-Y405 HydrophobicContact CB-CG 3.75Å; V388-Y405 HydrophobicContact CG1-CD1 3.58Å; V388-Y405 HydrophobicContact CG1-CE1 3.53Å; V388-Y405 HydrophobicContact CG1-CG 4.31Å; V388-Y405 HydrophobicContact CG2-CD1 4.06Å; V388-Y405 HydrophobicContact CG2-CG 4.14Å; L389-Y405 HydrophobicContact CB-CD2 4.32Å; L389-Y405 HydrophobicContact CB-CE2 4.49Å; L389-Y405 VanDerWaalsContact O-CB 3.29Å; L389-Y405 WeakPolarHBondContact O-CB 3.45Å; L389-Y405 WeakPolarHBondContact O-CD2 3.39Å; Y405-L407 VanDerWaalsContact CE1-CA 3.5Å; Y405-L407 HydrophobicContact CE1-CD2 4.31Å; Y405-L407 PolarHBondContact O-N 3.2Å; Y405-L407 VanDerWaalsContact O-N 3.13Å; Y405-R408 HydrophobicContact CD2-CB 4.2Å; Y405-R408 HydrophobicContact CE2-CB 3.66Å; Y405-R408 PolarHBondContact OH-N 3.25Å; Y405-R408 PolarHBondContact OH-O 3.17Å; Y405-L438 HydrophobicContact CE1-CD2 3.86Å; Y405-V451 HydrophobicContact CD1-CG2 4.21Å; Y405-V451 PolarHBondContact N-O 3.48Å; Y405-V451 PolarHBondContact O-N 2.98Å
406P97.4Very high96.8Very high4 Ų431.6 Ų31.63%0.02617%0.165CC..  trans-88.839.6-175.135.3-32.8000112.8E391 F404 R408 T450 E464 F466E391-P406 WeakPolarHBondContact OE2-CD 3.47Å; F404-P406 HydrophobicContact CD1-CB 4.29Å; F404-P406 HydrophobicContact CD1-CG 4.03Å; F404-P406 HydrophobicContact CE1-CB 3.46Å; F404-P406 VanDerWaalsContact CE1-CB 3.46Å; F404-P406 HydrophobicContact CE1-CG 3.54Å; F404-P406 HydrophobicContact CZ-CB 3.79Å; F404-P406 HydrophobicContact CZ-CG 4.36Å; P406-R408 VanDerWaalsContact C-N 3.34Å; P406-R408 HydrophobicContact CG-CG 3.98Å; P406-R408 PolarHBondContact O-N 2.91Å; P406-T450 WeakPolarHBondContact CA-OG1 3.45Å; P406-T450 HydrophobicContact CB-CG2 4.17Å; P406-E464 HydrophobicContact CB-CG 4.09Å; P406-E464 WeakPolarHBondContact O-CG 3.41Å; P406-F466 HydrophobicContact CB-CZ 4.5Å; P406-F466 WeakPolarHBondContact O-CE2 3.45Å; P406-F466 VanDerWaalsContact O-CZ 3.28Å; P406-F466 WeakPolarHBondContact O-CZ 3.24Å
407L98.3Very high97.2Very high0 Ų027 Ų270%014%0.144CC..  trans67.132.2179-47.7173.9000114.6Y405 T442 F448 M463 F467 T471Y405-L407 VanDerWaalsContact CE1-CA 3.5Å; Y405-L407 HydrophobicContact CE1-CD2 4.31Å; Y405-L407 PolarHBondContact O-N 3.2Å; Y405-L407 VanDerWaalsContact O-N 3.13Å; L407-T442 HydrophobicContact CD2-CG2 3.63Å; L407-F448 HydrophobicContact CD1-CB 4.08Å; L407-F448 WeakPolarHBondContact CD1-O 3.41Å; L407-M463 HydrophobicContact CD1-CG 4.12Å; L407-F467 HydrophobicContact CB-CB 4.1Å; L407-F467 HydrophobicContact CB-CD2 3.62Å; L407-F467 HydrophobicContact CB-CE2 4.38Å; L407-F467 HydrophobicContact CB-CG 4.09Å; L407-F467 HydrophobicContact CD1-CB 4.03Å; L407-F467 HydrophobicContact CD1-CD1 4.46Å; L407-F467 HydrophobicContact CD1-CD2 4.12Å; L407-F467 HydrophobicContact CD1-CG 3.93Å; L407-F467 HydrophobicContact CD2-CD2 4.48Å; L407-F467 HydrophobicContact CG-CD2 4.3Å; L407-T471 PolarHBondContact O-OG1 3.38Å; L407-T471 VanDerWaalsContact O-OG1 3.05Å
408R98.2Very high97.4Very high38 Ų3821.1 Ų21.114%0.14311%0.113CC..  trans-57137.5-172.8-95.4-170.1-160-61.4-8.9115.7S354 E391 Y405 P406 E410S354-R408 WeakPolarHBondContact OG-CD 3.11Å; S354-R408 PolarHBondContact OG-NE 3.07Å; E391-R408 IonicContact OE1-CZ 3.99Å; E391-R408 IonicContact OE1-NE 3.33Å; E391-R408 PolarHBondContact OE1-NE 3.2Å; E391-R408 IonicContact OE1-NH2 3.66Å; E391-R408 PolarHBondContact OE1-NH2 3.03Å; E391-R408 IonicContact OE2-CZ 2.98Å; E391-R408 IonicContact OE2-NE 3.62Å; E391-R408 PolarHBondContact OE2-NE 3.19Å; E391-R408 IonicContact OE2-NH2 2.78Å; E391-R408 PolarHBondContact OE2-NH2 2.91Å; Y405-R408 HydrophobicContact CD2-CB 4.2Å; Y405-R408 HydrophobicContact CE2-CB 3.66Å; Y405-R408 PolarHBondContact OH-N 3.25Å; Y405-R408 PolarHBondContact OH-O 3.17Å; P406-R408 VanDerWaalsContact C-N 3.34Å; P406-R408 HydrophobicContact CG-CG 3.98Å; P406-R408 PolarHBondContact O-N 2.91Å; R408-E410 WeakPolarHBondContact CB-OE2 3.49Å; R408-E410 WeakPolarHBondContact CD-OE2 3.44Å; R408-E410 WeakPolarHBondContact CG-OE2 3.44Å; R408-E410 IonicContact NH1-OE1 2.94Å; R408-E410 PolarHBondContact NH1-OE1 2.96Å
409P98.5Very high97.6Very high2 Ų218.2 Ų18.21%0.01310%0.099CC..  trans-90.3-18.6-17534-35.3000115.4F411 V412 E413 E470 T471P409-F411 VanDerWaalsContact C-N 3.27Å; P409-F411 PolarHBondContact O-N 3.11Å; P409-F411 VanDerWaalsContact O-N 3.11Å; P409-V412 CarbonylContact O-C 3.51Å; P409-V412 WeakPolarHBondContact O-CA 3.46Å; P409-V412 WeakPolarHBondContact O-CB 3.38Å; P409-V412 PolarHBondContact O-N 3.15Å; P409-E413 PolarHBondContact O-N 3.08Å; P409-E470 HydrophobicContact CB-CB 3.44Å; P409-E470 VanDerWaalsContact CB-CB 3.44Å; P409-E470 HydrophobicContact CB-CG 4.42Å; P409-E470 HydrophobicContact CG-CB 3.85Å; P409-E470 HydrophobicContact CG-CG 4.37Å; P409-E470 WeakPolarHBondContact CG-OE1 3.49Å; P409-E470 WeakPolarHBondContact CG-OE2 3.32Å; P409-T471 WeakPolarHBondContact CA-OG1 3.12Å; P409-T471 WeakPolarHBondContact CB-OG1 3.38Å
410E98.7Very high97.6Very high24 Ų2417.3 Ų17.311%0.1129%0.09CC..Hα-helixtrans-62.8-32.8-160.3-59.989.8161.800113.1A357 R408 S414A357-E410 HydrophobicContact CB-CB 4.11Å; R408-E410 WeakPolarHBondContact CB-OE2 3.49Å; R408-E410 WeakPolarHBondContact CD-OE2 3.44Å; R408-E410 WeakPolarHBondContact CG-OE2 3.44Å; R408-E410 IonicContact NH1-OE1 2.94Å; R408-E410 PolarHBondContact NH1-OE1 2.96Å; E410-S414 WeakPolarHBondContact O-CB 3.42Å; E410-S414 PolarHBondContact O-N 3.11Å; E410-S414 VanDerWaalsContact O-N 3.16Å; E410-S414 PolarHBondContact O-OG 2.91Å
411F98.6Very high97.4Very high2 Ų218.8 Ų18.81%0.00910%0.104CC..Hα-helixtrans-73.1-34.4174.7-176.6-123.2000112.6A357 H376 Y380 W383 L389 P409 T415 V430 I434A357-F411 HydrophobicContact CB-CB 4.1Å; H376-F411 AromaticContact CD2-CD2 3.98Å; H376-F411 AromaticContact CD2-CE2 3.52Å; H376-F411 AromaticContact CE1-CE2 3.6Å; H376-F411 AromaticContact CE1-CZ 3.82Å; H376-F411 AromaticContact NE2-CD2 3.9Å; H376-F411 AromaticContact NE2-CE2 3.19Å; H376-F411 WeakPolarHBondContact NE2-CE2 3.25Å; H376-F411 AromaticContact NE2-CZ 3.66Å; Y380-F411 VanDerWaalsContact CA-CZ 3.46Å; Y380-F411 HydrophobicContact CD2-CZ 4.17Å; Y380-F411 HydrophobicContact CG-CZ 4.45Å; W383-F411 HydrophobicContact CB-CE1 3.96Å; W383-F411 AromaticContact CD2-CD1 4Å; W383-F411 HydrophobicContact CD2-CD1 4Å; W383-F411 AromaticContact CD2-CE1 3.96Å; W383-F411 HydrophobicContact CD2-CE1 3.96Å; W383-F411 AromaticContact CE3-CD1 3.45Å; W383-F411 HydrophobicContact CE3-CD1 3.45Å; W383-F411 VanDerWaalsContact CE3-CD1 3.45Å; W383-F411 AromaticContact CE3-CE1 3.89Å; W383-F411 HydrophobicContact CE3-CE1 3.89Å; W383-F411 HydrophobicContact CE3-CG 4.44Å; W383-F411 HydrophobicContact CG-CD1 4.46Å; W383-F411 AromaticContact CG-CE1 3.98Å; W383-F411 HydrophobicContact CG-CE1 3.98Å; W383-F411 AromaticContact CZ3-CD1 3.99Å; W383-F411 HydrophobicContact CZ3-CD1 3.99Å; L389-F411 HydrophobicContact CD1-CB 3.8Å; L389-F411 HydrophobicContact CD1-CG 4.24Å; P409-F411 VanDerWaalsContact C-N 3.27Å; P409-F411 PolarHBondContact O-N 3.11Å; P409-F411 VanDerWaalsContact O-N 3.11Å; F411-T415 WeakPolarHBondContact O-CB 3.42Å; F411-T415 PolarHBondContact O-N 2.91Å; F411-T415 PolarHBondContact O-OG1 2.8Å; F411-V430 HydrophobicContact CE1-CG1 4.05Å; F411-V430 HydrophobicContact CZ-CG1 3.91Å; F411-I434 HydrophobicContact CD1-CD1 3.7Å; F411-I434 HydrophobicContact CD1-CG1 4.23Å; F411-I434 HydrophobicContact CE1-CD1 3.62Å; F411-I434 HydrophobicContact CE1-CG1 4Å
412V98.7Very high97.3Very high0 Ų017.5 Ų17.50%010%0.099CC..Hα-helixtrans-71.2-46.7175.9-1750000110.4P409 S414 T415 Y416 I434 T471 L475P409-V412 CarbonylContact O-C 3.51Å; P409-V412 WeakPolarHBondContact O-CA 3.46Å; P409-V412 WeakPolarHBondContact O-CB 3.38Å; P409-V412 PolarHBondContact O-N 3.15Å; V412-S414 VanDerWaalsContact C-N 3.33Å; V412-S414 PolarHBondContact O-N 3.41Å; V412-T415 WeakPolarHBondContact O-CB 3.23Å; V412-T415 PolarHBondContact O-N 2.83Å; V412-T415 VanDerWaalsContact O-N 3.08Å; V412-Y416 PolarHBondContact O-N 2.79Å; V412-I434 HydrophobicContact CG2-CD1 4.19Å; V412-I434 HydrophobicContact CG2-CG2 3.79Å; V412-T471 HydrophobicContact CG2-CG2 4.04Å; V412-L475 HydrophobicContact CG1-CB 4.41Å; V412-L475 HydrophobicContact CG1-CD2 3.86Å; V412-L475 HydrophobicContact CG1-CG 3.59Å
413E98.6Very high97.1Very high8 Ų819.5 Ų19.54%0.03710%0.103CC..Hα-helixtrans-50.7-54.8174.5-178.8-159179.800110.2K295 P409 T415 Y416 L417 Y474K295-E413 IonicContact NZ-OE1 3.69Å; P409-E413 PolarHBondContact O-N 3.08Å; E413-T415 VanDerWaalsContact C-N 3.28Å; E413-T415 PolarHBondContact O-N 3.22Å; E413-Y416 WeakPolarHBondContact O-CB 2.98Å; E413-Y416 PolarHBondContact O-N 2.92Å; E413-Y416 VanDerWaalsContact O-N 3.1Å; E413-L417 HydrophobicContact CG-CD1 4.02Å; E413-L417 WeakPolarHBondContact O-CG 3.25Å; E413-L417 PolarHBondContact O-N 3.3Å; E413-Y474 HydrophobicContact CB-CD2 3.72Å; E413-Y474 HydrophobicContact CB-CE2 3.65Å; E413-Y474 HydrophobicContact CB-CG 4.28Å; E413-Y474 HydrophobicContact CG-CD2 4.22Å; E413-Y474 HydrophobicContact CG-CE1 4.15Å; E413-Y474 HydrophobicContact CG-CE2 3.73Å
414S98.4Very high96.9Very high0 Ų020.3 Ų20.30%011%0.106CC..Hα-helixtrans-63.1-34-179.9-71.80000113.1A357 S358 G361 E410 V412 L418A357-S414 PolarHBondContact O-OG 2.92Å; S358-S414 PolarHBondContact O-OG 3.32Å; G361-S414 PolarHBondContact N-OG 3.4Å; E410-S414 WeakPolarHBondContact O-CB 3.42Å; E410-S414 PolarHBondContact O-N 3.11Å; E410-S414 VanDerWaalsContact O-N 3.16Å; E410-S414 PolarHBondContact O-OG 2.91Å; V412-S414 VanDerWaalsContact C-N 3.33Å; V412-S414 PolarHBondContact O-N 3.41Å; S414-L418 VanDerWaalsContact O-CB 3.26Å; S414-L418 WeakPolarHBondContact O-CB 3.29Å; S414-L418 WeakPolarHBondContact O-CD1 3.28Å; S414-L418 WeakPolarHBondContact O-CG 3.11Å; S414-L418 PolarHBondContact O-N 2.9Å
415T98.7Very high96.8Very high0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-63.8-44.4174-59.50000110.9H376 F411 V412 E413 Y419 Y427 V430 L478H376-T415 PolarHBondContact NE2-OG1 3.48Å; F411-T415 WeakPolarHBondContact O-CB 3.42Å; F411-T415 PolarHBondContact O-N 2.91Å; F411-T415 PolarHBondContact O-OG1 2.8Å; V412-T415 WeakPolarHBondContact O-CB 3.23Å; V412-T415 PolarHBondContact O-N 2.83Å; V412-T415 VanDerWaalsContact O-N 3.08Å; E413-T415 VanDerWaalsContact C-N 3.28Å; E413-T415 PolarHBondContact O-N 3.22Å; T415-Y419 WeakPolarHBondContact O-CB 3.21Å; T415-Y419 PolarHBondContact O-N 3.02Å; T415-Y427 HydrophobicContact CG2-CD1 4.26Å; T415-Y427 WeakPolarHBondContact CG2-O 3.48Å; T415-V430 HydrophobicContact CG2-CB 4.13Å; T415-V430 HydrophobicContact CG2-CG1 4.07Å; T415-L478 HydrophobicContact CG2-CD2 3.89Å
416Y98.4Very high96.6Very high5 Ų519.1 Ų19.12%0.0210%0.104CC..Hα-helixtrans-65.4-45.4177.1166.2-111.6000112.6V412 E413 Y419 T420 Y474 L477 L478 N486 F495V412-Y416 PolarHBondContact O-N 2.79Å; E413-Y416 WeakPolarHBondContact O-CB 2.98Å; E413-Y416 PolarHBondContact O-N 2.92Å; E413-Y416 VanDerWaalsContact O-N 3.1Å; Y416-Y419 WeakPolarHBondContact O-CB 3.4Å; Y416-Y419 PolarHBondContact O-N 3.33Å; Y416-T420 WeakPolarHBondContact CE2-OG1 3.41Å; Y416-T420 WeakPolarHBondContact O-CB 3.47Å; Y416-T420 PolarHBondContact O-N 3.39Å; Y416-T420 PolarHBondContact O-OG1 3.35Å; Y416-Y474 AromaticContact CD1-CD1 3.53Å; Y416-Y474 HydrophobicContact CD1-CD1 3.53Å; Y416-Y474 HydrophobicContact CD1-CE1 4.11Å; Y416-Y474 HydrophobicContact CD1-CG 4.49Å; Y416-Y474 HydrophobicContact CE1-CD1 4.1Å; Y416-Y474 HydrophobicContact CE1-CE1 4.44Å; Y416-Y474 HydrophobicContact CG-CD1 4.21Å; Y416-L477 HydrophobicContact CD2-CB 3.91Å; Y416-L477 HydrophobicContact CE1-CB 4.48Å; Y416-L477 HydrophobicContact CE1-CD1 4.22Å; Y416-L477 HydrophobicContact CE2-CB 3.45Å; Y416-L477 VanDerWaalsContact CE2-CB 3.45Å; Y416-L478 HydrophobicContact CD2-CB 4.32Å; Y416-N486 WeakPolarHBondContact CE2-OD1 3.42Å; Y416-N486 PolarHBondContact OH-OD1 3.1Å; Y416-F495 HydrophobicContact CE1-CE2 4.05Å; Y416-F495 HydrophobicContact CE1-CZ 4.47Å
417L97.5Very high96.5Very high22 Ų2219 Ų1912%0.11510%0.102CC..Hα-helixtrans-65.9-40.3178.8-68.3175.1000111.8G361 V364 E413 T420 A421G361-L417 VanDerWaalsContact CA-CD1 3.45Å; V364-L417 HydrophobicContact CG1-CB 4.35Å; E413-L417 HydrophobicContact CG-CD1 4.02Å; E413-L417 WeakPolarHBondContact O-CG 3.25Å; E413-L417 PolarHBondContact O-N 3.3Å; L417-T420 PolarHBondContact O-N 3.38Å; L417-A421 PolarHBondContact O-N 3.33Å
418L97.1Very high96.5Very high0 Ų019.1 Ų19.10%010%0.103CC..Hα-helixtrans-64.6-41.2173.9-82165.8000112.6A360 V364 A372 V373 H376 S414 T420 A421 T422 Y427A360-L418 HydrophobicContact CB-CD1 4.44Å; V364-L418 HydrophobicContact CG2-CD2 3.58Å; V364-L418 HydrophobicContact CG2-CG 3.83Å; A372-L418 HydrophobicContact CB-CD2 3.8Å; V373-L418 HydrophobicContact CG2-CD2 3.91Å; H376-L418 HydrophobicContact CB-CD1 3.42Å; H376-L418 VanDerWaalsContact CB-CD1 3.42Å; S414-L418 VanDerWaalsContact O-CB 3.26Å; S414-L418 WeakPolarHBondContact O-CB 3.29Å; S414-L418 WeakPolarHBondContact O-CD1 3.28Å; S414-L418 WeakPolarHBondContact O-CG 3.11Å; S414-L418 PolarHBondContact O-N 2.9Å; L418-T420 VanDerWaalsContact C-N 3.29Å; L418-T420 PolarHBondContact O-N 3.27Å; L418-A421 PolarHBondContact O-N 3.46Å; L418-T422 WeakPolarHBondContact O-CB 3.45Å; L418-T422 WeakPolarHBondContact O-CG2 3.19Å; L418-T422 PolarHBondContact O-N 2.87Å; L418-T422 PolarHBondContact O-OG1 3.44Å; L418-Y427 HydrophobicContact CB-CD1 3.9Å; L418-Y427 HydrophobicContact CB-CD2 4.08Å; L418-Y427 HydrophobicContact CB-CE1 3.6Å; L418-Y427 HydrophobicContact CB-CE2 3.79Å; L418-Y427 HydrophobicContact CB-CG 4.13Å; L418-Y427 HydrophobicContact CD1-CD1 4.41Å; L418-Y427 HydrophobicContact CD1-CE1 3.61Å; L418-Y427 HydrophobicContact CG-CE1 4.14Å
419Y96.6Very high96.5Very high20 Ų2018.3 Ų18.38%0.07810%0.101CC..Hα-helixtrans-58.9-45.4170.9173.9-108.5000110.8T415 Y416 A421 T422 K423 Q428 L478 V481T415-Y419 WeakPolarHBondContact O-CB 3.21Å; T415-Y419 PolarHBondContact O-N 3.02Å; Y416-Y419 WeakPolarHBondContact O-CB 3.4Å; Y416-Y419 PolarHBondContact O-N 3.33Å; Y419-A421 VanDerWaalsContact C-N 3.33Å; Y419-A421 PolarHBondContact O-N 3.48Å; Y419-T422 PolarHBondContact O-N 3.13Å; Y419-K423 HydrophobicContact CE1-CD 4.45Å; Y419-K423 WeakPolarHBondContact O-CA 3.49Å; Y419-K423 PolarHBondContact O-N 2.95Å; Y419-Q428 HydrophobicContact CD2-CG 3.67Å; Y419-Q428 HydrophobicContact CE2-CG 3.64Å; Y419-Q428 HydrophobicContact CG-CG 4.19Å; Y419-Q428 VanDerWaalsContact CZ-CD 3.48Å; Y419-Q428 PolarHBondContact OH-NE2 3.17Å; Y419-L478 VanDerWaalsContact CB-CD1 3.46Å; Y419-L478 HydrophobicContact CD1-CD1 3.82Å; Y419-L478 HydrophobicContact CD2-CD1 4.36Å; Y419-L478 HydrophobicContact CG-CD1 3.61Å; Y419-V481 HydrophobicContact CE1-CG1 4.39Å; Y419-V481 WeakPolarHBondContact OH-CG1 3.3Å
420T93.6Very high96.4Very high16 Ų1618.2 Ų18.210%0.09810%0.1CC..Hα-helixtrans-62.7-40.4-177.6-64.10000112.1Y416 L417 L418 K423 Q490Y416-T420 WeakPolarHBondContact CE2-OG1 3.41Å; Y416-T420 WeakPolarHBondContact O-CB 3.47Å; Y416-T420 PolarHBondContact O-N 3.39Å; Y416-T420 PolarHBondContact O-OG1 3.35Å; L417-T420 PolarHBondContact O-N 3.38Å; L418-T420 VanDerWaalsContact C-N 3.29Å; L418-T420 PolarHBondContact O-N 3.27Å; T420-K423 VanDerWaalsContact O-CE 3.25Å; T420-K423 WeakPolarHBondContact O-CE 3.45Å; T420-Q490 HydrophobicContact CG2-CG 4.43Å
421A93.4Very high96.4Very high52 Ų5217 Ų1743%0.4310%0.095SC..Hα-helixtrans-75.6-35.3178.900000114.1V364 V369 L417 L418 Y419V364-A421 HydrophobicContact CG1-CB 3.61Å; V369-A421 HydrophobicContact CG2-CB 4.49Å; L417-A421 PolarHBondContact O-N 3.33Å; L418-A421 PolarHBondContact O-N 3.46Å; Y419-A421 VanDerWaalsContact C-N 3.33Å; Y419-A421 PolarHBondContact O-N 3.48Å
422T93.3Very high96.4Very high49 Ų4918.2 Ų18.230%0.30110%0.101SC..Hα-helixtrans-105.6-21.3-171.6660000114.2V369 L418 Y419 N424 Y427V369-T422 HydrophobicContact CG1-CG2 3.76Å; L418-T422 WeakPolarHBondContact O-CB 3.45Å; L418-T422 WeakPolarHBondContact O-CG2 3.19Å; L418-T422 PolarHBondContact O-N 2.87Å; L418-T422 PolarHBondContact O-OG1 3.44Å; Y419-T422 PolarHBondContact O-N 3.13Å; T422-N424 PolarHBondContact O-N 3.35Å; T422-N424 VanDerWaalsContact O-N 3.09Å; T422-N424 WeakPolarHBondContact OG1-CB 3.41Å; T422-N424 PolarHBondContact OG1-N 2.82Å; T422-N424 VanDerWaalsContact OG1-N 3.17Å; T422-Y427 HydrophobicContact CG2-CE2 4.44Å; T422-Y427 WeakPolarHBondContact OG1-CE2 3.34Å
423K92.9Very high96.4Very high95 Ų9519.9 Ų19.941%0.41311%0.109SC..  trans49.225.2-165.8-55.3-62.2179.7-177.60113.4Y419 T420 P425Y419-K423 HydrophobicContact CE1-CD 4.45Å; Y419-K423 WeakPolarHBondContact O-CA 3.49Å; Y419-K423 PolarHBondContact O-N 2.95Å; T420-K423 VanDerWaalsContact O-CE 3.25Å; T420-K423 WeakPolarHBondContact O-CE 3.45Å; K423-P425 WeakPolarHBondContact O-CD 3.49Å
424N92.8Very high96.4Very high37 Ų3719.5 Ų19.520%0.19811%0.107CC..  trans-77.8120.1-179.2-170.8-34.5000110.4F14 T422 F426 Y427F14-N424 HydrophobicContact CE1-CB 4.34Å; F14-N424 WeakPolarHBondContact CE1-ND2 3.17Å; F14-N424 HydrophobicContact CZ-CB 4.46Å; F14-N424 VanDerWaalsContact CZ-ND2 3.26Å; F14-N424 WeakPolarHBondContact CZ-ND2 3.11Å; T422-N424 PolarHBondContact O-N 3.35Å; T422-N424 VanDerWaalsContact O-N 3.09Å; T422-N424 WeakPolarHBondContact OG1-CB 3.41Å; T422-N424 PolarHBondContact OG1-N 2.82Å; T422-N424 VanDerWaalsContact OG1-N 3.17Å; N424-F426 PolarHBondContact O-N 3.37Å; N424-F426 WeakPolarHBondContact OD1-CB 3.4Å; N424-F426 PolarHBondContact OD1-N 3.45Å; N424-Y427 HydrophobicContact CB-CD2 4.06Å; N424-Y427 HydrophobicContact CB-CE2 4.09Å; N424-Y427 PolarHBondContact O-N 2.56Å
425P94.3Very high96.4Very high28 Ų2819.6 Ų19.618%0.18211%0.107CC..THydrogen-bonded Turntrans-58.5-20.3-179.2-25.235.4000114.4I39 K423 Y427 Q428 H429I39-P425 HydrophobicContact CB-CB 4.22Å; I39-P425 HydrophobicContact CG2-CB 4.32Å; K423-P425 WeakPolarHBondContact O-CD 3.49Å; P425-Y427 PolarHBondContact O-N 2.8Å; P425-Q428 PolarHBondContact O-N 3.34Å; P425-H429 PolarHBondContact O-CD2 2.86Å; P425-H429 VanDerWaalsContact O-CD2 3.25Å; P425-H429 PolarHBondContact O-N 3.42Å; P425-H429 VanDerWaalsContact O-N 3.07Å
426F93.9Very high96.4Very high0 Ų024 Ų240%013%0.131CC..Hα-helixtrans-46.7-45.6172.9170.6-97.2000112.3F10 L13 F14 Y36 Y380 N424 Q428 H429 V430F10-F426 AromaticContact CD2-CE1 3.82Å; F10-F426 HydrophobicContact CD2-CE1 3.82Å; F10-F426 HydrophobicContact CD2-CE2 4.19Å; F10-F426 AromaticContact CD2-CZ 3.42Å; F10-F426 HydrophobicContact CD2-CZ 3.42Å; F10-F426 VanDerWaalsContact CD2-CZ 3.42Å; F10-F426 HydrophobicContact CE2-CD1 4.28Å; F10-F426 AromaticContact CE2-CE1 3.24Å; F10-F426 HydrophobicContact CE2-CE1 3.24Å; F10-F426 HydrophobicContact CE2-CE2 4.42Å; F10-F426 AromaticContact CE2-CZ 3.32Å; F10-F426 HydrophobicContact CE2-CZ 3.32Å; F10-F426 HydrophobicContact CZ-CE1 4.05Å; F10-F426 HydrophobicContact CZ-CZ 4.48Å; L13-F426 HydrophobicContact CD1-CD2 3.65Å; L13-F426 HydrophobicContact CD1-CE2 4.04Å; L13-F426 HydrophobicContact CD1-CG 4.47Å; F14-F426 HydrophobicContact CE2-CB 4.41Å; F14-F426 AromaticContact CE2-CD1 3.84Å; F14-F426 HydrophobicContact CE2-CD1 3.84Å; F14-F426 HydrophobicContact CE2-CE1 4.34Å; F14-F426 HydrophobicContact CE2-CG 4.02Å; F14-F426 HydrophobicContact CZ-CB 4.19Å; F14-F426 AromaticContact CZ-CD1 3.87Å; F14-F426 HydrophobicContact CZ-CD1 3.87Å; F14-F426 HydrophobicContact CZ-CG 4.16Å; Y36-F426 AromaticContact CD1-CD2 3.85Å; Y36-F426 HydrophobicContact CD1-CD2 3.85Å; Y36-F426 HydrophobicContact CD2-CD2 4.37Å; Y36-F426 HydrophobicContact CE1-CD2 4.22Å; Y36-F426 AromaticContact CG-CD2 3.95Å; Y36-F426 HydrophobicContact CG-CD2 3.95Å; Y380-F426 AromaticContact CD1-CZ 3.82Å; Y380-F426 HydrophobicContact CD1-CZ 3.82Å; Y380-F426 AromaticContact CE1-CE2 3.93Å; Y380-F426 HydrophobicContact CE1-CE2 3.93Å; Y380-F426 AromaticContact CE1-CZ 3.64Å; Y380-F426 HydrophobicContact CE1-CZ 3.64Å; Y380-F426 HydrophobicContact CG-CZ 4.47Å; N424-F426 PolarHBondContact O-N 3.37Å; N424-F426 WeakPolarHBondContact OD1-CB 3.4Å; N424-F426 PolarHBondContact OD1-N 3.45Å; F426-Q428 VanDerWaalsContact C-N 3.3Å; F426-Q428 PolarHBondContact O-N 3Å; F426-H429 WeakPolarHBondContact O-CB 3.29Å; F426-H429 PolarHBondContact O-N 2.73Å; F426-H429 VanDerWaalsContact O-N 3.17Å; F426-V430 HydrophobicContact CD1-CG2 4.14Å; F426-V430 HydrophobicContact CE1-CG2 3.52Å; F426-V430 HydrophobicContact CE2-CG2 4.05Å; F426-V430 HydrophobicContact CZ-CG2 3.47Å; F426-V430 VanDerWaalsContact CZ-CG2 3.47Å; F426-V430 WeakPolarHBondContact O-CG2 3.21Å; F426-V430 PolarHBondContact O-N 2.81Å
427Y96.8Very high96.4Very high0 Ų024.6 Ų24.60%014%0.136CC..Hα-helixtrans-67.7-30.4-178.1-64.6-66.4000112.9F14 V373 H376 T415 L418 T422 N424 P425 V430 G431F14-Y427 HydrophobicContact CE1-CE2 4.25Å; F14-Y427 AromaticContact CZ-CE2 3.96Å; F14-Y427 HydrophobicContact CZ-CE2 3.96Å; F14-Y427 AromaticContact CZ-CZ 3.94Å; V373-Y427 WeakPolarHBondContact CG2-OH 3.42Å; H376-Y427 AromaticContact CE1-CD1 3.99Å; H376-Y427 AromaticContact CE1-CE1 3.91Å; H376-Y427 AromaticContact ND1-CE1 3.84Å; T415-Y427 HydrophobicContact CG2-CD1 4.26Å; T415-Y427 WeakPolarHBondContact CG2-O 3.48Å; L418-Y427 HydrophobicContact CB-CD1 3.9Å; L418-Y427 HydrophobicContact CB-CD2 4.08Å; L418-Y427 HydrophobicContact CB-CE1 3.6Å; L418-Y427 HydrophobicContact CB-CE2 3.79Å; L418-Y427 HydrophobicContact CB-CG 4.13Å; L418-Y427 HydrophobicContact CD1-CD1 4.41Å; L418-Y427 HydrophobicContact CD1-CE1 3.61Å; L418-Y427 HydrophobicContact CG-CE1 4.14Å; T422-Y427 HydrophobicContact CG2-CE2 4.44Å; T422-Y427 WeakPolarHBondContact OG1-CE2 3.34Å; N424-Y427 HydrophobicContact CB-CD2 4.06Å; N424-Y427 HydrophobicContact CB-CE2 4.09Å; N424-Y427 PolarHBondContact O-N 2.56Å; P425-Y427 PolarHBondContact O-N 2.8Å; Y427-V430 WeakPolarHBondContact O-CB 3.27Å; Y427-V430 PolarHBondContact O-N 2.86Å; Y427-G431 PolarHBondContact O-N 2.68Å
428Q97.7Very high96.4Very high4 Ų423.6 Ų23.62%0.01913%0.131CC..Hα-helixtrans-72.4-36174.1-61.2176.9-60.200111.1I39 L44 Y419 P425 F426 V430 G431 L432 L478I39-Q428 HydrophobicContact CD1-CB 3.45Å; I39-Q428 VanDerWaalsContact CD1-CB 3.45Å; L44-Q428 VanDerWaalsContact CD2-NE2 3.33Å; Y419-Q428 HydrophobicContact CD2-CG 3.67Å; Y419-Q428 HydrophobicContact CE2-CG 3.64Å; Y419-Q428 HydrophobicContact CG-CG 4.19Å; Y419-Q428 VanDerWaalsContact CZ-CD 3.48Å; Y419-Q428 PolarHBondContact OH-NE2 3.17Å; P425-Q428 PolarHBondContact O-N 3.34Å; F426-Q428 VanDerWaalsContact C-N 3.3Å; F426-Q428 PolarHBondContact O-N 3Å; Q428-V430 VanDerWaalsContact C-N 3.33Å; Q428-G431 WeakPolarHBondContact O-CA 3.19Å; Q428-G431 PolarHBondContact O-N 3.07Å; Q428-L432 WeakPolarHBondContact O-CG 3.49Å; Q428-L432 PolarHBondContact O-N 3.2Å; Q428-L478 HydrophobicContact CG-CD1 3.78Å; Q428-L478 HydrophobicContact CG-CG 4.2Å; Q428-L478 PolarHBondContact NE2-O 3.41Å
429H97.1Very high96.5Very high20 Ų2025.5 Ų25.59%0.09314%0.14CC..Hα-helixtrans-62.8-40.1169.2-73.8-84000112.1K35 Y36 S38 P425 F426 G431 L432 E433K35-H429 PolarHBondContact O-NE2 3.16Å; Y36-H429 HydrophobicContact CD1-CB 3.64Å; Y36-H429 AromaticContact CD1-CD2 3.63Å; Y36-H429 AromaticContact CD1-CG 3.61Å; Y36-H429 HydrophobicContact CE1-CB 3.58Å; Y36-H429 AromaticContact CE1-CG 3.87Å; S38-H429 PolarHBondContact O-NE2 2.91Å; P425-H429 PolarHBondContact O-CD2 2.86Å; P425-H429 VanDerWaalsContact O-CD2 3.25Å; P425-H429 PolarHBondContact O-N 3.42Å; P425-H429 VanDerWaalsContact O-N 3.07Å; F426-H429 WeakPolarHBondContact O-CB 3.29Å; F426-H429 PolarHBondContact O-N 2.73Å; F426-H429 VanDerWaalsContact O-N 3.17Å; H429-G431 VanDerWaalsContact C-N 3.31Å; H429-L432 PolarHBondContact O-N 2.76Å; H429-E433 WeakPolarHBondContact O-CG 3.14Å; H429-E433 PolarHBondContact O-N 3.29Å
430V97.8Very high96.6Very high0 Ų029.5 Ų29.50%017%0.166CC..Hα-helixtrans-59.2-45.6171.8175.90000110Y380 F411 T415 F426 Y427 Q428 L432 E433 I434Y380-V430 HydrophobicContact CD2-CB 4.47Å; Y380-V430 HydrophobicContact CD2-CG1 3.85Å; Y380-V430 HydrophobicContact CD2-CG2 3.86Å; Y380-V430 HydrophobicContact CE2-CB 4.34Å; Y380-V430 HydrophobicContact CE2-CG1 4.11Å; Y380-V430 HydrophobicContact CE2-CG2 3.66Å; Y380-V430 HydrophobicContact CG-CG2 4.38Å; F411-V430 HydrophobicContact CE1-CG1 4.05Å; F411-V430 HydrophobicContact CZ-CG1 3.91Å; T415-V430 HydrophobicContact CG2-CB 4.13Å; T415-V430 HydrophobicContact CG2-CG1 4.07Å; F426-V430 HydrophobicContact CD1-CG2 4.14Å; F426-V430 HydrophobicContact CE1-CG2 3.52Å; F426-V430 HydrophobicContact CE2-CG2 4.05Å; F426-V430 HydrophobicContact CZ-CG2 3.47Å; F426-V430 VanDerWaalsContact CZ-CG2 3.47Å; F426-V430 WeakPolarHBondContact O-CG2 3.21Å; F426-V430 PolarHBondContact O-N 2.81Å; Y427-V430 WeakPolarHBondContact O-CB 3.27Å; Y427-V430 PolarHBondContact O-N 2.86Å; Q428-V430 VanDerWaalsContact C-N 3.33Å; V430-L432 VanDerWaalsContact C-N 3.32Å; V430-L432 PolarHBondContact O-N 2.85Å; V430-E433 PolarHBondContact O-N 2.78Å; V430-E433 VanDerWaalsContact O-N 3.1Å; V430-I434 HydrophobicContact CG1-CD1 3.86Å; V430-I434 HydrophobicContact CG1-CG1 4.27Å; V430-I434 WeakPolarHBondContact O-CG1 3.24Å; V430-I434 PolarHBondContact O-N 3.39Å
431G98.5Very high96.8Very high0 Ų031.1 Ų31.10%017%0.174CC..Hα-helixtrans-53.8-43.9174.400000113.6Y427 Q428 H429 E433 I434 L435Y427-G431 PolarHBondContact O-N 2.68Å; Q428-G431 WeakPolarHBondContact O-CA 3.19Å; Q428-G431 PolarHBondContact O-N 3.07Å; H429-G431 VanDerWaalsContact C-N 3.31Å; G431-E433 VanDerWaalsContact C-N 3.32Å; G431-E433 PolarHBondContact O-N 3.44Å; G431-I434 PolarHBondContact O-N 3.14Å; G431-L435 WeakPolarHBondContact O-CB 3.26Å; G431-L435 PolarHBondContact O-N 2.84Å
432L98.5Very high97Very high26 Ų2628.6 Ų28.614%0.13615%0.153CC..Hα-helixtrans-63.7-38177.6-68.2169.6000112.2I39 D43 Y46 Q428 H429 V430 L435 D436 F479I39-L432 HydrophobicContact CD1-CD1 4.05Å; D43-L432 HydrophobicContact CB-CD1 3.82Å; Y46-L432 HydrophobicContact CD1-CD2 4.04Å; Q428-L432 WeakPolarHBondContact O-CG 3.49Å; Q428-L432 PolarHBondContact O-N 3.2Å; H429-L432 PolarHBondContact O-N 2.76Å; V430-L432 VanDerWaalsContact C-N 3.32Å; V430-L432 PolarHBondContact O-N 2.85Å; L432-L435 PolarHBondContact O-N 2.64Å; L432-D436 WeakPolarHBondContact O-CB 3.4Å; L432-D436 PolarHBondContact O-N 2.93Å; L432-F479 HydrophobicContact CD2-CE1 3.81Å; L432-F479 HydrophobicContact CD2-CZ 3.87Å; L432-F479 HydrophobicContact CG-CE1 3.88Å; L432-F479 HydrophobicContact CG-CZ 4.12Å
433E97.8Very high97.3Very high35 Ų3529.4 Ų29.416%0.16415%0.151CC..Hα-helixtrans-71-35.4176.7-65-174.2172.200112.2K35 Y380 K384 H429 V430 G431 S437K35-E433 IonicContact NZ-OE1 2.76Å; Y380-E433 PolarHBondContact OH-OE2 3.16Å; K384-E433 WeakPolarHBondContact CD-OE2 3.36Å; K384-E433 WeakPolarHBondContact CE-OE2 3.2Å; K384-E433 IonicContact NZ-OE1 2.72Å; K384-E433 PolarHBondContact NZ-OE1 3.3Å; K384-E433 IonicContact NZ-OE2 2.93Å; K384-E433 PolarHBondContact NZ-OE2 2.93Å; H429-E433 WeakPolarHBondContact O-CG 3.14Å; H429-E433 PolarHBondContact O-N 3.29Å; V430-E433 PolarHBondContact O-N 2.78Å; V430-E433 VanDerWaalsContact O-N 3.1Å; G431-E433 VanDerWaalsContact C-N 3.32Å; G431-E433 PolarHBondContact O-N 3.44Å; E433-S437 WeakPolarHBondContact O-CB 3.19Å; E433-S437 PolarHBondContact O-N 2.88Å; E433-S437 VanDerWaalsContact O-N 3.09Å; E433-S437 PolarHBondContact O-OG 3.06Å
434I98.7Very high97.6Very high0 Ų026.3 Ų26.30%014%0.139CC..Hα-helixtrans-63.2-47.8171.8-65169.5000109.6W383 F411 V412 V430 G431 D436 S437 L438 L475W383-I434 HydrophobicContact CD2-CG1 4.14Å; W383-I434 HydrophobicContact CH2-CB 4.45Å; W383-I434 HydrophobicContact CH2-CG1 4.38Å; W383-I434 HydrophobicContact CH2-CG2 3.75Å; W383-I434 HydrophobicContact CZ2-CB 3.81Å; W383-I434 HydrophobicContact CZ2-CG1 3.84Å; W383-I434 HydrophobicContact CZ2-CG2 3.53Å; F411-I434 HydrophobicContact CD1-CD1 3.7Å; F411-I434 HydrophobicContact CD1-CG1 4.23Å; F411-I434 HydrophobicContact CE1-CD1 3.62Å; F411-I434 HydrophobicContact CE1-CG1 4Å; V412-I434 HydrophobicContact CG2-CD1 4.19Å; V412-I434 HydrophobicContact CG2-CG2 3.79Å; V430-I434 HydrophobicContact CG1-CD1 3.86Å; V430-I434 HydrophobicContact CG1-CG1 4.27Å; V430-I434 WeakPolarHBondContact O-CG1 3.24Å; V430-I434 PolarHBondContact O-N 3.39Å; G431-I434 PolarHBondContact O-N 3.14Å; I434-D436 PolarHBondContact O-N 3.24Å; I434-S437 WeakPolarHBondContact O-CB 3.09Å; I434-S437 PolarHBondContact O-N 3.27Å; I434-L438 HydrophobicContact CG2-CD1 3.81Å; I434-L438 HydrophobicContact CG2-CG 4.37Å; I434-L438 WeakPolarHBondContact O-CG 3.08Å; I434-L438 PolarHBondContact O-N 3.13Å; I434-L475 HydrophobicContact CB-CD2 4.46Å; I434-L475 HydrophobicContact CG2-CD1 4.34Å; I434-L475 HydrophobicContact CG2-CD2 4.26Å
435L98.4Very high97.8Very high2 Ų232.3 Ų32.31%0.0116%0.164CC..Hα-helixtrans-59.1-47.2-179.4-169.470.7000112.1K50 T51 M54 G431 L432 L438 E439 L475 F479K50-L435 HydrophobicContact CB-CD2 3.83Å; K50-L435 HydrophobicContact CG-CD2 3.82Å; K50-L435 HydrophobicContact CG-CG 4.12Å; T51-L435 WeakPolarHBondContact OG1-CD1 3.22Å; M54-L435 HydrophobicContact CE-CD1 4.33Å; M54-L435 HydrophobicContact SD-CD1 3.33Å; M54-L435 WeakPolarHBondContact SD-CD1 3.33Å; M54-L435 HydrophobicContact SD-CG 4.11Å; G431-L435 WeakPolarHBondContact O-CB 3.26Å; G431-L435 PolarHBondContact O-N 2.84Å; L432-L435 PolarHBondContact O-N 2.64Å; L435-L438 PolarHBondContact O-N 3.33Å; L435-E439 WeakPolarHBondContact O-CB 3.44Å; L435-E439 PolarHBondContact O-N 3.1Å; L435-L475 HydrophobicContact CD1-CD1 3.99Å; L435-F479 HydrophobicContact CD2-CE2 4.17Å
436D98.4Very high98Very high93 Ų9331.1 Ų31.150%0.49716%0.156SC..Hα-helixtrans-62.5-43.1177.5-173.463.1000112.2L432 I434 T440L432-D436 WeakPolarHBondContact O-CB 3.4Å; L432-D436 PolarHBondContact O-N 2.93Å; I434-D436 PolarHBondContact O-N 3.24Å; D436-T440 VanDerWaalsContact O-CB 3.25Å; D436-T440 WeakPolarHBondContact O-CB 3.12Å; D436-T440 PolarHBondContact O-N 3.4Å; D436-T440 PolarHBondContact O-OG1 2.81Å
437S98.5Very high98.2Very high18 Ų1831.1 Ų31.113%0.12616%0.156CC..Hα-helixtrans-58.8-51.9174.5-81.70000112.3W383 G387 E433 I434 T440 I441W383-S437 PolarHBondContact NE1-OG 3.35Å; G387-S437 WeakPolarHBondContact CA-OG 3.35Å; G387-S437 WeakPolarHBondContact O-CB 3.31Å; G387-S437 PolarHBondContact O-OG 2.82Å; E433-S437 WeakPolarHBondContact O-CB 3.19Å; E433-S437 PolarHBondContact O-N 2.88Å; E433-S437 VanDerWaalsContact O-N 3.09Å; E433-S437 PolarHBondContact O-OG 3.06Å; I434-S437 WeakPolarHBondContact O-CB 3.09Å; I434-S437 PolarHBondContact O-N 3.27Å; S437-T440 PolarHBondContact O-N 3.38Å; S437-I441 WeakPolarHBondContact O-CB 3.49Å; S437-I441 VanDerWaalsContact O-CG1 3.23Å; S437-I441 WeakPolarHBondContact O-CG1 3.23Å; S437-I441 PolarHBondContact O-N 3.45Å
438L98.6Very high98.3Very high0 Ų031.1 Ų31.10%016%0.156CC..Hα-helixtrans-62.9-48.8-177.7-69.3170.7000110.7M54 W383 Y405 I434 L435 T440 I441 T442 F467 T471 L475M54-L438 HydrophobicContact CE-CB 3.94Å; W383-L438 HydrophobicContact CH2-CD2 4.39Å; W383-L438 HydrophobicContact CH2-CG 4.49Å; W383-L438 HydrophobicContact CZ2-CG 4.48Å; Y405-L438 HydrophobicContact CE1-CD2 3.86Å; I434-L438 HydrophobicContact CG2-CD1 3.81Å; I434-L438 HydrophobicContact CG2-CG 4.37Å; I434-L438 WeakPolarHBondContact O-CG 3.08Å; I434-L438 PolarHBondContact O-N 3.13Å; L435-L438 PolarHBondContact O-N 3.33Å; L438-T440 VanDerWaalsContact C-N 3.28Å; L438-T440 PolarHBondContact O-N 2.95Å; L438-I441 PolarHBondContact O-N 3.48Å; L438-T442 HydrophobicContact CD2-CG2 4.23Å; L438-T442 PolarHBondContact O-N 2.93Å; L438-T442 PolarHBondContact O-OG1 2.97Å; L438-F467 HydrophobicContact CD1-CE2 4.16Å; L438-F467 HydrophobicContact CD2-CE2 4.42Å; L438-T471 HydrophobicContact CD1-CG2 3.94Å; L438-L475 HydrophobicContact CD1-CD1 4.12Å
439E98.4Very high98.3Very high41 Ų4131 Ų3119%0.19216%0.156CC..Hα-helixtrans-57.8-40.8177.8177.464.7-177.300112.6K50 M54 L435 R443K50-E439 WeakPolarHBondContact CE-OE1 3.42Å; K50-E439 WeakPolarHBondContact CE-OE2 3.43Å; K50-E439 IonicContact NZ-OE1 2.93Å; K50-E439 PolarHBondContact NZ-OE1 3.42Å; K50-E439 IonicContact NZ-OE2 3.4Å; K50-E439 PolarHBondContact NZ-OE2 2.68Å; M54-E439 HydrophobicContact CE-CB 4.37Å; M54-E439 WeakPolarHBondContact CG-OE2 3.26Å; M54-E439 HydrophobicContact SD-CB 4.3Å; L435-E439 WeakPolarHBondContact O-CB 3.44Å; L435-E439 PolarHBondContact O-N 3.1Å; E439-R443 VanDerWaalsContact CD-CD 3.46Å; E439-R443 WeakPolarHBondContact O-CB 3.41Å; E439-R443 WeakPolarHBondContact OE1-CD 3.48Å; E439-R443 IonicContact OE1-CZ 2.8Å; E439-R443 IonicContact OE1-NE 3.36Å; E439-R443 IonicContact OE1-NH1 2.76Å; E439-R443 PolarHBondContact OE1-NH1 3.34Å; E439-R443 WeakPolarHBondContact OE2-CD 3.28Å; E439-R443 IonicContact OE2-CZ 3.65Å; E439-R443 IonicContact OE2-NH1 2.89Å; E439-R443 PolarHBondContact OE2-NH1 2.99Å
440T98.3Very high98.4Very high103 Ų10330 Ų3063%0.63215%0.151SC*.Hα-helixtrans-81-36.9-175-57.90000112.8D436 S437 L438D436-T440 VanDerWaalsContact O-CB 3.25Å; D436-T440 WeakPolarHBondContact O-CB 3.12Å; D436-T440 PolarHBondContact O-N 3.4Å; D436-T440 PolarHBondContact O-OG1 2.81Å; S437-T440 PolarHBondContact O-N 3.38Å; L438-T440 VanDerWaalsContact C-N 3.28Å; L438-T440 PolarHBondContact O-N 2.95Å
441I98.4Very high98.4Very high50 Ų5030 Ų3026%0.25615%0.151SC..Hα-helixtrans-92.7-44.6-171-61.7168.9000111.1V388 S437 L438 V451V388-I441 HydrophobicContact CG1-CD1 4.38Å; S437-I441 WeakPolarHBondContact O-CB 3.49Å; S437-I441 VanDerWaalsContact O-CG1 3.23Å; S437-I441 WeakPolarHBondContact O-CG1 3.23Å; S437-I441 PolarHBondContact O-N 3.45Å; L438-I441 PolarHBondContact O-N 3.48Å; I441-V451 HydrophobicContact CG2-CG2 3.75Å
442T98.6Very high98.4Very high0 Ų034.9 Ų34.90%017%0.174CC..THydrogen-bonded Turntrans-102.1-19.4-164.871.90000112.9L407 L438 V444 F448 A449 V451L407-T442 HydrophobicContact CD2-CG2 3.63Å; L438-T442 HydrophobicContact CD2-CG2 4.23Å; L438-T442 PolarHBondContact O-N 2.93Å; L438-T442 PolarHBondContact O-OG1 2.97Å; T442-V444 PolarHBondContact O-N 3.17Å; T442-F448 CarbonylContact O-C 3.57Å; T442-F448 WeakPolarHBondContact O-CA 3.48Å; T442-F448 WeakPolarHBondContact OG1-CD1 3.47Å; T442-A449 VanDerWaalsContact CB-O 3.3Å; T442-A449 WeakPolarHBondContact CB-O 3.36Å; T442-A449 PolarHBondContact O-N 3.09Å; T442-V451 HydrophobicContact CG2-CG2 3.77Å
443R98.7Very high98.4Very high66 Ų6635.5 Ų35.525%0.24918%0.177CC..EExtended strand (participates in β ladder)trans-64.8126-179.7-169167.7-172.7147.21.1111.8E53 F57 E439 F448E53-R443 IonicContact OE1-CZ 3.22Å; E53-R443 VanDerWaalsContact OE1-CZ 3.31Å; E53-R443 IonicContact OE1-NH1 3.33Å; E53-R443 PolarHBondContact OE1-NH1 3.05Å; E53-R443 IonicContact OE1-NH2 2.76Å; E53-R443 PolarHBondContact OE1-NH2 3.41Å; E53-R443 IonicContact OE2-CZ 3.48Å; E53-R443 IonicContact OE2-NH1 3.36Å; E53-R443 PolarHBondContact OE2-NH1 2.87Å; F57-R443 VanDerWaalsContact CD2-NH2 3.32Å; F57-R443 HydrophobicContact CE1-CG 3.96Å; E439-R443 VanDerWaalsContact CD-CD 3.46Å; E439-R443 WeakPolarHBondContact O-CB 3.41Å; E439-R443 WeakPolarHBondContact OE1-CD 3.48Å; E439-R443 IonicContact OE1-CZ 2.8Å; E439-R443 IonicContact OE1-NE 3.36Å; E439-R443 IonicContact OE1-NH1 2.76Å; E439-R443 PolarHBondContact OE1-NH1 3.34Å; E439-R443 WeakPolarHBondContact OE2-CD 3.28Å; E439-R443 IonicContact OE2-CZ 3.65Å; E439-R443 IonicContact OE2-NH1 2.89Å; E439-R443 PolarHBondContact OE2-NH1 2.99Å; R443-F448 HydrophobicContact CB-CD1 3.96Å; R443-F448 HydrophobicContact CB-CE1 3.76Å; R443-F448 HydrophobicContact CG-CD1 4.4Å; R443-F448 HydrophobicContact CG-CE1 3.95Å; R443-F448 HydrophobicContact CG-CZ 4.4Å
444V98.7Very high98.4Very high29 Ų2934.5 Ų34.518%0.17617%0.174CC..EExtended strand (participates in β ladder)trans-128.3-171.2176.2-63.60000110.2F57 P74 I75 T442 C446 G447 A449 L459F57-V444 WeakPolarHBondContact CZ-O 3.39Å; P74-V444 HydrophobicContact CB-CG2 3.53Å; P74-V444 HydrophobicContact CG-CG2 3.75Å; P74-V444 WeakPolarHBondContact O-CG2 3.43Å; I75-V444 HydrophobicContact CG1-CB 4.23Å; I75-V444 HydrophobicContact CG1-CG1 4.1Å; I75-V444 HydrophobicContact CG1-CG2 4.05Å; T442-V444 PolarHBondContact O-N 3.17Å; V444-C446 VanDerWaalsContact C-N 3.31Å; V444-C446 PolarHBondContact O-N 2.93Å; V444-G447 WeakPolarHBondContact CG2-O 3.43Å; V444-G447 PolarHBondContact N-O 3.49Å; V444-A449 HydrophobicContact CG1-CB 3.76Å; V444-A449 HydrophobicContact CG2-CB 3.96Å; V444-L459 HydrophobicContact CG1-CD1 3.61Å
445K98Very high98.2Very high163 Ų16340 Ų4071%0.70920%0.202SC*.THydrogen-bonded Turntrans-53.9-44-169.6-174.8-175.6165.7-161.70113.6F57F57-K445 WeakPolarHBondContact CZ-O 3.46Å
446C98.3Very high98.1Very high4 Ų445.4 Ų45.43%0.02723%0.231CC..THydrogen-bonded Turntrans-12521.6-172.3-63.60000113N61 L72 P74 C77 V444N61-C446 HydrophobicContact CB-CB 4.23Å; N61-C446 WeakPolarHBondContact CB-O 3.12Å; N61-C446 VanDerWaalsContact CG-O 3.31Å; N61-C446 VanDerWaalsContact OD1-CA 3.28Å; N61-C446 WeakPolarHBondContact OD1-CA 3.35Å; N61-C446 WeakPolarHBondContact OD1-CB 3.5Å; L72-C446 WeakPolarHBondContact CD2-O 3.38Å; P74-C446 WeakPolarHBondContact O-CB 3.38Å; P74-C446 PolarHBondContact O-N 3.35Å; C77-C446 HydrophobicContact CB-CB 3.73Å; C77-C446 WeakPolarHBondContact CB-SG 3.36Å; C77-C446 WeakPolarHBondContact SG-CB 3.25Å; C77-C446 CovalentContact SG-SG 2.02Å; C77-C446 PolarHBondContact SG-SG 3.24Å; V444-C446 VanDerWaalsContact C-N 3.31Å; V444-C446 PolarHBondContact O-N 2.93Å
447G98.4Very high98Very high0 Ų042.9 Ų42.90%023%0.227CC..EExtended strand (participates in β ladder)trans156.6-148.2-179.400000111.9V444V444-G447 WeakPolarHBondContact CG2-O 3.43Å; V444-G447 PolarHBondContact N-O 3.49Å
448F98.8Very high98Very high0 Ų043.9 Ų43.90%023%0.234CC..EExtended strand (participates in β ladder)trans-121.4125.1-178.6-60.3-92.3000109.7M54 F57 P74 L407 T442 R443 M463 F467M54-F448 HydrophobicContact CB-CE2 4.22Å; M54-F448 HydrophobicContact CB-CZ 3.7Å; M54-F448 HydrophobicContact CE-CD1 4.23Å; M54-F448 HydrophobicContact CE-CE1 3.47Å; M54-F448 VanDerWaalsContact CE-CE1 3.47Å; M54-F448 HydrophobicContact CE-CZ 3.76Å; M54-F448 HydrophobicContact CG-CE1 4.3Å; M54-F448 HydrophobicContact CG-CZ 3.77Å; M54-F448 WeakPolarHBondContact O-CE2 3.39Å; F57-F448 AromaticContact CD1-CE2 3.78Å; F57-F448 HydrophobicContact CD1-CE2 3.78Å; F57-F448 HydrophobicContact CD1-CZ 4.02Å; F57-F448 HydrophobicContact CE1-CE2 4.5Å; P74-F448 WeakPolarHBondContact CG-O 3.17Å; L407-F448 HydrophobicContact CD1-CB 4.08Å; L407-F448 WeakPolarHBondContact CD1-O 3.41Å; T442-F448 CarbonylContact O-C 3.57Å; T442-F448 WeakPolarHBondContact O-CA 3.48Å; T442-F448 WeakPolarHBondContact OG1-CD1 3.47Å; R443-F448 HydrophobicContact CB-CD1 3.96Å; R443-F448 HydrophobicContact CB-CE1 3.76Å; R443-F448 HydrophobicContact CG-CD1 4.4Å; R443-F448 HydrophobicContact CG-CE1 3.95Å; R443-F448 HydrophobicContact CG-CZ 4.4Å; F448-M463 HydrophobicContact CB-SD 4.29Å; F448-M463 HydrophobicContact CD2-SD 4.26Å; F448-M463 PolarHBondContact N-SD 3.21Å; F448-M463 VanDerWaalsContact N-SD 3.44Å; F448-M463 WeakPolarHBondContact O-CA 3.38Å; F448-M463 WeakPolarHBondContact O-CB 3.49Å; F448-M463 VanDerWaalsContact O-CG 3.24Å; F448-M463 WeakPolarHBondContact O-CG 3.23Å; F448-F467 HydrophobicContact CB-CD1 4.11Å; F448-F467 HydrophobicContact CB-CE1 3.7Å; F448-F467 HydrophobicContact CB-CZ 4.02Å; F448-F467 HydrophobicContact CD1-CE1 4.16Å; F448-F467 HydrophobicContact CD1-CZ 4.04Å; F448-F467 HydrophobicContact CD2-CD1 4.02Å; F448-F467 AromaticContact CD2-CE1 3.22Å; F448-F467 HydrophobicContact CD2-CE1 3.22Å; F448-F467 AromaticContact CD2-CZ 3.94Å; F448-F467 HydrophobicContact CD2-CZ 3.94Å; F448-F467 AromaticContact CE2-CE1 3.82Å; F448-F467 HydrophobicContact CE2-CE1 3.82Å; F448-F467 HydrophobicContact CE2-CZ 4.42Å; F448-F467 HydrophobicContact CG-CD1 4.25Å; F448-F467 AromaticContact CG-CE1 3.4Å; F448-F467 HydrophobicContact CG-CE1 3.4Å; F448-F467 VanDerWaalsContact CG-CE1 3.4Å; F448-F467 AromaticContact CG-CZ 3.71Å; F448-F467 HydrophobicContact CG-CZ 3.71Å
449A98.5Very high97.9Very high0 Ų046.7 Ų46.70%025%0.249CC..PPolyproline II helixtrans-96.2138.2-175.600000111.2P74 I75 T442 V444 L459 E460 R462P74-A449 HydrophobicContact CG-CB 4.05Å; I75-A449 HydrophobicContact CD1-CB 4.29Å; I75-A449 HydrophobicContact CG1-CB 4.24Å; T442-A449 VanDerWaalsContact CB-O 3.3Å; T442-A449 WeakPolarHBondContact CB-O 3.36Å; T442-A449 PolarHBondContact O-N 3.09Å; V444-A449 HydrophobicContact CG1-CB 3.76Å; V444-A449 HydrophobicContact CG2-CB 3.96Å; A449-L459 HydrophobicContact CB-CB 4.15Å; A449-L459 HydrophobicContact CB-CD1 4.22Å; A449-E460 WeakPolarHBondContact CB-O 3.22Å; A449-R462 WeakPolarHBondContact CA-O 2.94Å
450T98.3Very high97.9Very high0 Ų048.4 Ų48.40%026%0.256CS..EExtended strand (participates in β ladder)trans-49.1138.1164.2-72.80000111.3F404 P406 L459 E460 R462F404-T450 HydrophobicContact CD2-CG2 3.9Å; F404-T450 HydrophobicContact CE1-CG2 4.35Å; F404-T450 HydrophobicContact CE2-CG2 3.14Å; F404-T450 HydrophobicContact CZ-CG2 3.42Å; F404-T450 VanDerWaalsContact CZ-CG2 3.42Å; P406-T450 WeakPolarHBondContact CA-OG1 3.45Å; P406-T450 HydrophobicContact CB-CG2 4.17Å; T450-L459 CarbonylContact O-C 3.58Å; T450-L459 WeakPolarHBondContact O-CA 3.11Å; T450-E460 HydrophobicContact CG2-CB 4.1Å; T450-E460 PolarHBondContact O-N 3.2Å; T450-R462 PolarHBondContact N-O 2.01Å; T450-R462 PolarHBondContact OG1-O 2.77Å
451V98.6Very high97.9Very high1 Ų144.4 Ų44.41%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-86.4118.7172.8-174.80000108.2V388 F404 Y405 I441 T442 V454 S458 L459V388-V451 HydrophobicContact CG2-CG2 4.33Å; F404-V451 CarbonylContact C-O 3.59Å; Y405-V451 HydrophobicContact CD1-CG2 4.21Å; Y405-V451 PolarHBondContact N-O 3.48Å; Y405-V451 PolarHBondContact O-N 2.98Å; I441-V451 HydrophobicContact CG2-CG2 3.75Å; T442-V451 HydrophobicContact CG2-CG2 3.77Å; V451-V454 HydrophobicContact CG1-CG1 4.43Å; V451-S458 CarbonylContact C-O 3.51Å; V451-L459 HydrophobicContact CB-CD2 4.42Å; V451-L459 HydrophobicContact CG2-CD2 4.02Å
452H98.1Very high97.8Very high101 Ų10143.3 Ų43.347%0.46822%0.224SC..EExtended strand (participates in β ladder)trans-72-43178.5-176.472.6000111.5F404 S458 E460F404-H452 WeakPolarHBondContact CA-O 3.19Å; H452-S458 PolarHBondContact N-O 2.99Å; H452-E460 HydrophobicContact CB-CB 4.36Å; H452-E460 IonicContact ND1-OE2 3.9Å; H452-E460 PolarHBondContact ND1-OE2 2.8Å
453D97.9Very high97.8Very high40 Ų4043.6 Ų43.621%0.21423%0.225CC..EExtended strand (participates in β ladder)trans-141.7114.8176.6-170.5-30.7000111.7S403 I455 D456 G457S403-D453 WeakPolarHBondContact CB-OD1 3.33Å; S403-D453 CarbonylContact O-C 3.41Å; S403-D453 WeakPolarHBondContact O-CA 3.45Å; S403-D453 PolarHBondContact OG-OD1 3.34Å; D453-I455 PolarHBondContact O-N 3.29Å; D453-I455 VanDerWaalsContact O-N 3.14Å; D453-I455 WeakPolarHBondContact OD1-CA 3.38Å; D453-I455 WeakPolarHBondContact OD1-CB 3.46Å; D453-I455 WeakPolarHBondContact OD1-CG1 3.34Å; D453-I455 PolarHBondContact OD1-N 2.81Å; D453-D456 WeakPolarHBondContact CB-OD1 3.39Å; D453-D456 PolarHBondContact O-N 3.43Å; D453-G457 WeakPolarHBondContact O-CA 3.39Å; D453-G457 PolarHBondContact O-N 3.21Å
454V97.3Very high97.7Very high14 Ų1441 Ų419%0.08522%0.216CC..THydrogen-bonded Turntrans-62.9-14.5177.9-59.10000114.6Y386 V388 P390 P400 S403 V451Y386-V454 HydrophobicContact CD1-CG2 4.04Å; Y386-V454 HydrophobicContact CG-CG2 4.13Å; V388-V454 HydrophobicContact CG2-CB 4.23Å; V388-V454 HydrophobicContact CG2-CG1 3.46Å; V388-V454 VanDerWaalsContact CG2-CG1 3.46Å; P390-V454 HydrophobicContact CB-CG1 4.42Å; P390-V454 HydrophobicContact CB-CG2 3.93Å; P400-V454 HydrophobicContact CG-CG2 3.89Å; S403-V454 VanDerWaalsContact O-CG1 3.22Å; S403-V454 WeakPolarHBondContact O-CG1 3.47Å; S403-V454 PolarHBondContact O-N 3.28Å; V451-V454 HydrophobicContact CG1-CG1 4.43Å
455I95.8Very high97.7Very high115 Ų11540 Ų4059%0.5921%0.21SC*.THydrogen-bonded Turntrans-84.6-45.5-179.2-58.1177000110.5P400 D453P400-I455 HydrophobicContact CG-CD1 4.1Å; P400-I455 HydrophobicContact CG-CG1 4.14Å; D453-I455 PolarHBondContact O-N 3.29Å; D453-I455 VanDerWaalsContact O-N 3.14Å; D453-I455 WeakPolarHBondContact OD1-CA 3.38Å; D453-I455 WeakPolarHBondContact OD1-CB 3.46Å; D453-I455 WeakPolarHBondContact OD1-CG1 3.34Å; D453-I455 PolarHBondContact OD1-N 2.81Å
456D96.2Very high97.7Very high115 Ų11532.8 Ų32.862%0.61518%0.179SC*.THydrogen-bonded Turntrans-99.3-14.4-177.674.411.4000114D453 S458D453-D456 WeakPolarHBondContact CB-OD1 3.39Å; D453-D456 PolarHBondContact O-N 3.43Å; D456-S458 WeakPolarHBondContact OD1-CB 3.38Å; D456-S458 PolarHBondContact OD1-N 2.94Å; D456-S458 PolarHBondContact OD1-OG 2.88Å
457G95.4Very high97.7Very high41 Ų4132.6 Ų32.642%0.42318%0.178SC..THydrogen-bonded Turntrans78.216.4178.700000114.1D453D453-G457 WeakPolarHBondContact O-CA 3.39Å; D453-G457 PolarHBondContact O-N 3.21Å
458S98.1Very high97.7Very high39 Ų3932.8 Ų32.827%0.27318%0.179SC..EExtended strand (participates in β ladder)trans-64.5146.717455.60000111.5V451 H452 D456V451-S458 CarbonylContact C-O 3.51Å; H452-S458 PolarHBondContact N-O 2.99Å; D456-S458 WeakPolarHBondContact OD1-CB 3.38Å; D456-S458 PolarHBondContact OD1-N 2.94Å; D456-S458 PolarHBondContact OD1-OG 2.88Å
459L98.4Very high97.7Very high59 Ų5932.8 Ų32.831%0.30918%0.179SC..EExtended strand (participates in β ladder)trans-116.3149.9-174.6-59.2180000111.2I75 V444 A449 T450 V451I75-L459 HydrophobicContact CD1-CB 4.27Å; V444-L459 HydrophobicContact CG1-CD1 3.61Å; A449-L459 HydrophobicContact CB-CB 4.15Å; A449-L459 HydrophobicContact CB-CD1 4.22Å; T450-L459 CarbonylContact O-C 3.58Å; T450-L459 WeakPolarHBondContact O-CA 3.11Å; V451-L459 HydrophobicContact CB-CD2 4.42Å; V451-L459 HydrophobicContact CG2-CD2 4.02Å
460E97.3Very high97.7Very high76 Ų7633.2 Ų33.236%0.35518%0.18SC..EExtended strand (participates in β ladder)trans-113.3142.1173.2-172.4167.3159.200109.9A449 T450 H452 R462A449-E460 WeakPolarHBondContact CB-O 3.22Å; T450-E460 HydrophobicContact CG2-CB 4.1Å; T450-E460 PolarHBondContact O-N 3.2Å; H452-E460 HydrophobicContact CB-CB 4.36Å; H452-E460 IonicContact ND1-OE2 3.9Å; H452-E460 PolarHBondContact ND1-OE2 2.8Å; E460-R462 PolarHBondContact O-N 3.42Å
461D97.8Very high97.7Very high19 Ų1933.2 Ų33.210%0.10218%0.18CC..SBendtrans-79.167.6-173.5-17130.5000112.2D73 P74 I75 H76 R80D73-D461 WeakPolarHBondContact CA-OD1 3.39Å; D73-D461 WeakPolarHBondContact CB-OD2 3.43Å; D73-D461 VanDerWaalsContact OD1-O 3.13Å; P74-D461 VanDerWaalsContact CD-OD1 3.26Å; P74-D461 WeakPolarHBondContact CD-OD1 3.48Å; I75-D461 WeakPolarHBondContact CA-OD1 3.36Å; I75-D461 HydrophobicContact CB-CB 4.16Å; I75-D461 WeakPolarHBondContact CB-OD1 3.11Å; I75-D461 HydrophobicContact CD1-CB 4.05Å; I75-D461 HydrophobicContact CG1-CB 4.25Å; I75-D461 PolarHBondContact N-OD1 3.1Å; H76-D461 WeakPolarHBondContact CB-OD2 3.48Å; H76-D461 IonicContact CE1-OD2 2.82Å; H76-D461 IonicContact CG-OD2 2.83Å; H76-D461 PolarHBondContact N-OD1 3.01Å; H76-D461 IonicContact ND1-OD2 3.48Å; H76-D461 PolarHBondContact ND1-OD2 2.98Å; R80-D461 PolarHBondContact NH1-O 2.72Å; R80-D461 PolarHBondContact NH2-O 2.86Å
462R97Very high97.7Very high28 Ų2833.1 Ų33.111%0.10618%0.18CC..  trans-147.7132.4177.8-174.4159.7-168.1-156-0.1110.8E71 R80 A449 T450 E460 E464E71-R462 IonicContact OE1-NH2 3.67Å; E71-R462 IonicContact OE2-CZ 2.92Å; E71-R462 IonicContact OE2-NE 3.76Å; E71-R462 PolarHBondContact OE2-NE 2.94Å; E71-R462 IonicContact OE2-NH2 3.08Å; E71-R462 PolarHBondContact OE2-NH2 3.36Å; R80-R462 VanDerWaalsContact NH1-CA 3.34Å; A449-R462 WeakPolarHBondContact CA-O 2.94Å; T450-R462 PolarHBondContact N-O 2.01Å; T450-R462 PolarHBondContact OG1-O 2.77Å; E460-R462 PolarHBondContact O-N 3.42Å; R462-E464 WeakPolarHBondContact CD-OE1 3.31Å; R462-E464 HydrophobicContact CG-CG 4.43Å; R462-E464 IonicContact CZ-OE1 3.51Å; R462-E464 IonicContact CZ-OE2 3.31Å; R462-E464 VanDerWaalsContact NE-CD 3.34Å; R462-E464 IonicContact NE-OE1 3.46Å; R462-E464 PolarHBondContact NE-OE1 3.35Å; R462-E464 IonicContact NE-OE2 3.73Å; R462-E464 PolarHBondContact NE-OE2 2.65Å; R462-E464 IonicContact NH1-OE1 2.9Å; R462-E464 PolarHBondContact NH1-OE1 2.78Å; R462-E464 IonicContact NH1-OE2 2.67Å; R462-E464 IonicContact NH2-OE1 2.8Å; R462-E464 IonicContact NH2-OE2 3.65Å; R462-E464 PolarHBondContact NH2-OE2 3.26Å
463M98.2Very high97.7Very high6 Ų628.4 Ų28.43%0.0316%0.158CC..BIsolated β-bridgetrans-115106.3163.8-169.3171.678.100107.4L72 P74 L407 F448 F467 L468L72-M463 HydrophobicContact CB-CB 4.42Å; L72-M463 HydrophobicContact CB-CE 4.09Å; L72-M463 HydrophobicContact CD2-CE 3.68Å; L72-M463 HydrophobicContact CD2-SD 4.46Å; L72-M463 HydrophobicContact CG-CE 4.47Å; L72-M463 PolarHBondContact O-N 2.99Å; P74-M463 HydrophobicContact CB-CB 4.47Å; P74-M463 HydrophobicContact CG-CB 4.14Å; L407-M463 HydrophobicContact CD1-CG 4.12Å; F448-M463 HydrophobicContact CB-SD 4.29Å; F448-M463 HydrophobicContact CD2-SD 4.26Å; F448-M463 PolarHBondContact N-SD 3.21Å; F448-M463 VanDerWaalsContact N-SD 3.44Å; F448-M463 WeakPolarHBondContact O-CA 3.38Å; F448-M463 WeakPolarHBondContact O-CB 3.49Å; F448-M463 VanDerWaalsContact O-CG 3.24Å; F448-M463 WeakPolarHBondContact O-CG 3.23Å; M463-F467 HydrophobicContact CG-CB 4.49Å; M463-F467 HydrophobicContact CG-CD1 4.37Å; M463-F467 HydrophobicContact SD-CD1 4.31Å; M463-L468 HydrophobicContact CE-CD1 4.02Å; M463-L468 HydrophobicContact CE-CG 4.32Å
464E97.3Very high97.8Very high12 Ų1226.5 Ų26.56%0.05615%0.148CC..  trans-63.7140.6176.6-56.6-77.617200109.7E71 P406 R462 F466 F467E71-E464 WeakPolarHBondContact OE1-CA 3.35Å; P406-E464 HydrophobicContact CB-CG 4.09Å; P406-E464 WeakPolarHBondContact O-CG 3.41Å; R462-E464 WeakPolarHBondContact CD-OE1 3.31Å; R462-E464 HydrophobicContact CG-CG 4.43Å; R462-E464 IonicContact CZ-OE1 3.51Å; R462-E464 IonicContact CZ-OE2 3.31Å; R462-E464 VanDerWaalsContact NE-CD 3.34Å; R462-E464 IonicContact NE-OE1 3.46Å; R462-E464 PolarHBondContact NE-OE1 3.35Å; R462-E464 IonicContact NE-OE2 3.73Å; R462-E464 PolarHBondContact NE-OE2 2.65Å; R462-E464 IonicContact NH1-OE1 2.9Å; R462-E464 PolarHBondContact NH1-OE1 2.78Å; R462-E464 IonicContact NH1-OE2 2.67Å; R462-E464 IonicContact NH2-OE1 2.8Å; R462-E464 IonicContact NH2-OE2 3.65Å; R462-E464 PolarHBondContact NH2-OE2 3.26Å; E464-F466 VanDerWaalsContact C-N 3.26Å; E464-F466 HydrophobicContact CB-CD1 4.07Å; E464-F466 HydrophobicContact CB-CD2 3.92Å; E464-F466 HydrophobicContact CB-CE1 3.63Å; E464-F466 HydrophobicContact CB-CE2 3.51Å; E464-F466 HydrophobicContact CB-CG 4.15Å; E464-F466 HydrophobicContact CB-CZ 3.33Å; E464-F466 HydrophobicContact CG-CE1 3.92Å; E464-F466 HydrophobicContact CG-CE2 3.94Å; E464-F466 HydrophobicContact CG-CZ 3.42Å; E464-F466 VanDerWaalsContact CG-CZ 3.42Å; E464-F466 PolarHBondContact O-N 2.74Å; E464-F467 VanDerWaalsContact O-CB 3.31Å; E464-F467 WeakPolarHBondContact O-CB 3.39Å; E464-F467 PolarHBondContact O-N 2.71Å
465S97.9Very high97.8Very high6 Ų625.9 Ų25.94%0.04214%0.144CC..THydrogen-bonded Turntrans-54.7-39.8179.645.50000113.1E71 L101 D105 R146 F467 L468 S469E71-S465 PolarHBondContact OE1-N 3.5Å; E71-S465 PolarHBondContact OE1-OG 2.83Å; L101-S465 WeakPolarHBondContact CD2-OG 3.41Å; D105-S465 WeakPolarHBondContact OD2-CB 3.12Å; R146-S465 PolarHBondContact NH1-OG 3.45Å; S465-F467 PolarHBondContact O-N 3.27Å; S465-L468 PolarHBondContact O-N 2.71Å; S465-S469 PolarHBondContact O-N 3.31Å
466F98.1Very high98Very high13 Ų1320.9 Ų20.96%0.05712%0.118CC..Hα-helixtrans-58.9-16.5176.658.3-121000115.4R146 P406 E464 L468 S469 E470 T471 E498R146-F466 VanDerWaalsContact NH1-CD1 3.25Å; P406-F466 HydrophobicContact CB-CZ 4.5Å; P406-F466 WeakPolarHBondContact O-CE2 3.45Å; P406-F466 VanDerWaalsContact O-CZ 3.28Å; P406-F466 WeakPolarHBondContact O-CZ 3.24Å; E464-F466 VanDerWaalsContact C-N 3.26Å; E464-F466 HydrophobicContact CB-CD1 4.07Å; E464-F466 HydrophobicContact CB-CD2 3.92Å; E464-F466 HydrophobicContact CB-CE1 3.63Å; E464-F466 HydrophobicContact CB-CE2 3.51Å; E464-F466 HydrophobicContact CB-CG 4.15Å; E464-F466 HydrophobicContact CB-CZ 3.33Å; E464-F466 HydrophobicContact CG-CE1 3.92Å; E464-F466 HydrophobicContact CG-CE2 3.94Å; E464-F466 HydrophobicContact CG-CZ 3.42Å; E464-F466 VanDerWaalsContact CG-CZ 3.42Å; E464-F466 PolarHBondContact O-N 2.74Å; F466-L468 VanDerWaalsContact C-N 3.28Å; F466-L468 PolarHBondContact O-N 3.47Å; F466-S469 VanDerWaalsContact CA-OG 3.24Å; F466-S469 WeakPolarHBondContact CA-OG 3.3Å; F466-E470 HydrophobicContact CB-CB 4.47Å; F466-E470 HydrophobicContact CB-CG 4.27Å; F466-E470 VanDerWaalsContact CB-OE1 3.28Å; F466-E470 WeakPolarHBondContact CB-OE1 3.49Å; F466-E470 WeakPolarHBondContact O-CA 3.47Å; F466-E470 VanDerWaalsContact O-CB 3.3Å; F466-E470 WeakPolarHBondContact O-CB 3.44Å; F466-E470 PolarHBondContact O-N 2.82Å; F466-T471 PolarHBondContact O-N 3.27Å; F466-T471 VanDerWaalsContact O-N 3.15Å; F466-E498 WeakPolarHBondContact CB-OE1 3.3Å
467F98.8Very high98Very high0 Ų015.4 Ų15.40%09%0.089CC..Iπ-helixtrans-63.4-40.8175.1-177.6-109.8000111.1M54 L407 L438 F448 M463 E464 S465 T471 L472M54-F467 HydrophobicContact CE-CZ 4.32Å; L407-F467 HydrophobicContact CB-CB 4.1Å; L407-F467 HydrophobicContact CB-CD2 3.62Å; L407-F467 HydrophobicContact CB-CE2 4.38Å; L407-F467 HydrophobicContact CB-CG 4.09Å; L407-F467 HydrophobicContact CD1-CB 4.03Å; L407-F467 HydrophobicContact CD1-CD1 4.46Å; L407-F467 HydrophobicContact CD1-CD2 4.12Å; L407-F467 HydrophobicContact CD1-CG 3.93Å; L407-F467 HydrophobicContact CD2-CD2 4.48Å; L407-F467 HydrophobicContact CG-CD2 4.3Å; L438-F467 HydrophobicContact CD1-CE2 4.16Å; L438-F467 HydrophobicContact CD2-CE2 4.42Å; F448-F467 HydrophobicContact CB-CD1 4.11Å; F448-F467 HydrophobicContact CB-CE1 3.7Å; F448-F467 HydrophobicContact CB-CZ 4.02Å; F448-F467 HydrophobicContact CD1-CE1 4.16Å; F448-F467 HydrophobicContact CD1-CZ 4.04Å; F448-F467 HydrophobicContact CD2-CD1 4.02Å; F448-F467 AromaticContact CD2-CE1 3.22Å; F448-F467 HydrophobicContact CD2-CE1 3.22Å; F448-F467 AromaticContact CD2-CZ 3.94Å; F448-F467 HydrophobicContact CD2-CZ 3.94Å; F448-F467 AromaticContact CE2-CE1 3.82Å; F448-F467 HydrophobicContact CE2-CE1 3.82Å; F448-F467 HydrophobicContact CE2-CZ 4.42Å; F448-F467 HydrophobicContact CG-CD1 4.25Å; F448-F467 AromaticContact CG-CE1 3.4Å; F448-F467 HydrophobicContact CG-CE1 3.4Å; F448-F467 VanDerWaalsContact CG-CE1 3.4Å; F448-F467 AromaticContact CG-CZ 3.71Å; F448-F467 HydrophobicContact CG-CZ 3.71Å; M463-F467 HydrophobicContact CG-CB 4.49Å; M463-F467 HydrophobicContact CG-CD1 4.37Å; M463-F467 HydrophobicContact SD-CD1 4.31Å; E464-F467 VanDerWaalsContact O-CB 3.31Å; E464-F467 WeakPolarHBondContact O-CB 3.39Å; E464-F467 PolarHBondContact O-N 2.71Å; S465-F467 PolarHBondContact O-N 3.27Å; F467-T471 HydrophobicContact CD2-CG2 3.89Å; F467-T471 HydrophobicContact CE2-CG2 3.82Å; F467-T471 WeakPolarHBondContact O-CB 3.48Å; F467-T471 PolarHBondContact O-N 2.77Å; F467-L472 HydrophobicContact CD1-CD1 4.24Å; F467-L472 HydrophobicContact CD1-CG 4.44Å; F467-L472 HydrophobicContact CE1-CD1 3.71Å; F467-L472 HydrophobicContact CE1-CD2 4.23Å; F467-L472 HydrophobicContact CE1-CG 3.95Å; F467-L472 HydrophobicContact CE2-CD2 4.34Å; F467-L472 HydrophobicContact CE2-CG 4.43Å; F467-L472 HydrophobicContact CZ-CD1 4.18Å; F467-L472 HydrophobicContact CZ-CD2 3.84Å; F467-L472 HydrophobicContact CZ-CG 3.99Å; F467-L472 WeakPolarHBondContact O-CG 3.12Å; F467-L472 PolarHBondContact O-N 3.43Å; F467-L472 VanDerWaalsContact O-N 3.11Å
468L98.5Very high98.2Very high4 Ų413.5 Ų13.52%0.0217%0.068CC..Iπ-helixtrans-83.5-38.6178.3-59.1-175.6000112.2F55 W59 T106 S109 M463 S465 F466 L472F55-L468 HydrophobicContact CD2-CD2 4.35Å; F55-L468 HydrophobicContact CE2-CB 4.29Å; W59-L468 HydrophobicContact CE3-CD1 4.25Å; T106-L468 HydrophobicContact CG2-CB 4.12Å; S109-L468 WeakPolarHBondContact CB-O 3.47Å; S109-L468 PolarHBondContact OG-O 3.4Å; M463-L468 HydrophobicContact CE-CD1 4.02Å; M463-L468 HydrophobicContact CE-CG 4.32Å; S465-L468 PolarHBondContact O-N 2.71Å; F466-L468 VanDerWaalsContact C-N 3.28Å; F466-L468 PolarHBondContact O-N 3.47Å; L468-L472 HydrophobicContact CD2-CD1 3.87Å
469S97.7Very high98.2Very high0 Ų011.9 Ų11.90%06%0.057CC..Iπ-helixtrans-78.5-29.8-178.3700000112.7D105 S109 S465 F466 K473D105-S469 WeakPolarHBondContact O-CB 3.32Å; D105-S469 VanDerWaalsContact OD2-CB 3.24Å; D105-S469 WeakPolarHBondContact OD2-CB 3.33Å; D105-S469 PolarHBondContact OD2-OG 3.39Å; S109-S469 WeakPolarHBondContact OG-CA 3.45Å; S109-S469 PolarHBondContact OG-O 2.9Å; S465-S469 PolarHBondContact O-N 3.31Å; F466-S469 VanDerWaalsContact CA-OG 3.24Å; F466-S469 WeakPolarHBondContact CA-OG 3.3Å; S469-K473 WeakPolarHBondContact O-CB 3.26Å; S469-K473 WeakPolarHBondContact O-CD 3.17Å; S469-K473 WeakPolarHBondContact O-CE 3.33Å; S469-K473 PolarHBondContact O-NZ 2.81Å
470E98.6Very high98.1Very high8 Ų810.4 Ų10.44%0.0375%0.049CC..Iπ-helixtrans-118.4-60.8-176.5-65.1-171.4-95.700113.4P409 F466 L472 K473 Y474 E498P409-E470 HydrophobicContact CB-CB 3.44Å; P409-E470 VanDerWaalsContact CB-CB 3.44Å; P409-E470 HydrophobicContact CB-CG 4.42Å; P409-E470 HydrophobicContact CG-CB 3.85Å; P409-E470 HydrophobicContact CG-CG 4.37Å; P409-E470 WeakPolarHBondContact CG-OE1 3.49Å; P409-E470 WeakPolarHBondContact CG-OE2 3.32Å; F466-E470 HydrophobicContact CB-CB 4.47Å; F466-E470 HydrophobicContact CB-CG 4.27Å; F466-E470 VanDerWaalsContact CB-OE1 3.28Å; F466-E470 WeakPolarHBondContact CB-OE1 3.49Å; F466-E470 WeakPolarHBondContact O-CA 3.47Å; F466-E470 VanDerWaalsContact O-CB 3.3Å; F466-E470 WeakPolarHBondContact O-CB 3.44Å; F466-E470 PolarHBondContact O-N 2.82Å; E470-L472 PolarHBondContact O-N 2.96Å; E470-K473 WeakPolarHBondContact O-CB 3.25Å; E470-K473 PolarHBondContact O-N 3.22Å; E470-K473 VanDerWaalsContact O-N 3.09Å; E470-Y474 HydrophobicContact CB-CD2 4.33Å; E470-Y474 HydrophobicContact CB-CE2 4.1Å; E470-Y474 WeakPolarHBondContact O-CD2 3.34Å; E470-Y474 PolarHBondContact O-N 3.47Å; E470-E498 HydrophobicContact CG-CG 4.5Å; E470-E498 WeakPolarHBondContact CG-OXT 3.37Å
471T98.8Very high97.8Very high0 Ų09 Ų90%05%0.046CC..Iπ-helixtrans-59.1-50-167.6-62.20000111.4L407 P409 V412 L438 F466 F467 L475L407-T471 PolarHBondContact O-OG1 3.38Å; L407-T471 VanDerWaalsContact O-OG1 3.05Å; P409-T471 WeakPolarHBondContact CA-OG1 3.12Å; P409-T471 WeakPolarHBondContact CB-OG1 3.38Å; V412-T471 HydrophobicContact CG2-CG2 4.04Å; L438-T471 HydrophobicContact CD1-CG2 3.94Å; F466-T471 PolarHBondContact O-N 3.27Å; F466-T471 VanDerWaalsContact O-N 3.15Å; F467-T471 HydrophobicContact CD2-CG2 3.89Å; F467-T471 HydrophobicContact CE2-CG2 3.82Å; F467-T471 WeakPolarHBondContact O-CB 3.48Å; F467-T471 PolarHBondContact O-N 2.77Å; T471-L475 WeakPolarHBondContact O-CG 3.21Å; T471-L475 PolarHBondContact O-N 3.39Å; T471-L475 VanDerWaalsContact O-N 3.16Å
472L98.8Very high97.6Very high0 Ų013.1 Ų13.10%07%0.068CC..Hα-helixtrans-74.2-30.3178.5-62.9-176.3000112.6T51 M54 F55 F113 F467 L468 E470 L475 Y476T51-L472 HydrophobicContact CG2-CB 4.35Å; T51-L472 HydrophobicContact CG2-CD2 4.24Å; T51-L472 WeakPolarHBondContact CG2-O 2.98Å; M54-L472 HydrophobicContact CB-CD1 4.3Å; M54-L472 HydrophobicContact CB-CD2 4.2Å; M54-L472 HydrophobicContact CE-CD2 4.26Å; F55-L472 VanDerWaalsContact CA-CD1 3.48Å; F55-L472 HydrophobicContact CB-CD1 3.87Å; F55-L472 HydrophobicContact CD2-CB 4.4Å; F55-L472 HydrophobicContact CD2-CD1 4.26Å; F113-L472 HydrophobicContact CZ-CB 4.03Å; F467-L472 HydrophobicContact CD1-CD1 4.24Å; F467-L472 HydrophobicContact CD1-CG 4.44Å; F467-L472 HydrophobicContact CE1-CD1 3.71Å; F467-L472 HydrophobicContact CE1-CD2 4.23Å; F467-L472 HydrophobicContact CE1-CG 3.95Å; F467-L472 HydrophobicContact CE2-CD2 4.34Å; F467-L472 HydrophobicContact CE2-CG 4.43Å; F467-L472 HydrophobicContact CZ-CD1 4.18Å; F467-L472 HydrophobicContact CZ-CD2 3.84Å; F467-L472 HydrophobicContact CZ-CG 3.99Å; F467-L472 WeakPolarHBondContact O-CG 3.12Å; F467-L472 PolarHBondContact O-N 3.43Å; F467-L472 VanDerWaalsContact O-N 3.11Å; L468-L472 HydrophobicContact CD2-CD1 3.87Å; E470-L472 PolarHBondContact O-N 2.96Å; L472-L475 HydrophobicContact CD2-CD1 4.31Å; L472-L475 PolarHBondContact O-N 2.93Å; L472-Y476 VanDerWaalsContact O-CB 3.31Å; L472-Y476 WeakPolarHBondContact O-CB 2.91Å; L472-Y476 PolarHBondContact O-N 3.14Å
473K98.4Very high97.4Very high1 Ų112.5 Ų12.50%0.0047%0.066CC..Hα-helixtrans-59.4-51.8174.9-173.6-169.9-77.9157.90110.5D108 S109 V112 S469 E470 Y476 L477 F495D108-K473 VanDerWaalsContact OD1-CE 3.31Å; D108-K473 WeakPolarHBondContact OD1-CE 3.33Å; D108-K473 IonicContact OD1-NZ 3.24Å; D108-K473 PolarHBondContact OD1-NZ 2.95Å; D108-K473 WeakPolarHBondContact OD2-CE 3.39Å; D108-K473 IonicContact OD2-NZ 3.32Å; D108-K473 PolarHBondContact OD2-NZ 3.41Å; S109-K473 VanDerWaalsContact OG-CE 3.23Å; S109-K473 WeakPolarHBondContact OG-CE 3.24Å; V112-K473 HydrophobicContact CB-CG 4.17Å; V112-K473 HydrophobicContact CG1-CG 4.09Å; V112-K473 HydrophobicContact CG2-CD 4.3Å; V112-K473 HydrophobicContact CG2-CG 3.82Å; S469-K473 WeakPolarHBondContact O-CB 3.26Å; S469-K473 WeakPolarHBondContact O-CD 3.17Å; S469-K473 WeakPolarHBondContact O-CE 3.33Å; S469-K473 PolarHBondContact O-NZ 2.81Å; E470-K473 WeakPolarHBondContact O-CB 3.25Å; E470-K473 PolarHBondContact O-N 3.22Å; E470-K473 VanDerWaalsContact O-N 3.09Å; K473-Y476 PolarHBondContact O-N 2.96Å; K473-L477 HydrophobicContact CG-CD1 4.46Å; K473-L477 WeakPolarHBondContact O-CG 3.36Å; K473-L477 PolarHBondContact O-N 3.25Å; K473-F495 HydrophobicContact CD-CE1 4.15Å
474Y98.7Very high97Very high1 Ų114.5 Ų14.50%0.0048%0.079CC..Hα-helixtrans-68.9-37.3179-66.8-54.2000113.1E413 Y416 E470 Y476 L478 F495E413-Y474 HydrophobicContact CB-CD2 3.72Å; E413-Y474 HydrophobicContact CB-CE2 3.65Å; E413-Y474 HydrophobicContact CB-CG 4.28Å; E413-Y474 HydrophobicContact CG-CD2 4.22Å; E413-Y474 HydrophobicContact CG-CE1 4.15Å; E413-Y474 HydrophobicContact CG-CE2 3.73Å; Y416-Y474 AromaticContact CD1-CD1 3.53Å; Y416-Y474 HydrophobicContact CD1-CD1 3.53Å; Y416-Y474 HydrophobicContact CD1-CE1 4.11Å; Y416-Y474 HydrophobicContact CD1-CG 4.49Å; Y416-Y474 HydrophobicContact CE1-CD1 4.1Å; Y416-Y474 HydrophobicContact CE1-CE1 4.44Å; Y416-Y474 HydrophobicContact CG-CD1 4.21Å; E470-Y474 HydrophobicContact CB-CD2 4.33Å; E470-Y474 HydrophobicContact CB-CE2 4.1Å; E470-Y474 WeakPolarHBondContact O-CD2 3.34Å; E470-Y474 PolarHBondContact O-N 3.47Å; Y474-Y476 VanDerWaalsContact C-N 3.33Å; Y474-Y476 PolarHBondContact O-N 2.92Å; Y474-L478 VanDerWaalsContact O-CB 3.31Å; Y474-L478 WeakPolarHBondContact O-CB 3.3Å; Y474-L478 PolarHBondContact O-N 3.27Å; Y474-F495 HydrophobicContact CE1-CD1 4.01Å; Y474-F495 HydrophobicContact CE1-CD2 4.28Å; Y474-F495 HydrophobicContact CE1-CE1 4.22Å; Y474-F495 HydrophobicContact CE1-CE2 4.48Å; Y474-F495 HydrophobicContact CE1-CG 4.04Å; Y474-F495 HydrophobicContact CE1-CZ 4.45Å; Y474-F495 WeakPolarHBondContact OH-CB 3.4Å
475L98.7Very high96.8Very high0 Ų014.5 Ų14.50%08%0.08CC..Hα-helixtrans-62.2-41.1172.8-80.3173.2000111.8T51 V412 I434 L435 L438 T471 L472 L478 F479T51-L475 HydrophobicContact CG2-CB 3.73Å; V412-L475 HydrophobicContact CG1-CB 4.41Å; V412-L475 HydrophobicContact CG1-CD2 3.86Å; V412-L475 HydrophobicContact CG1-CG 3.59Å; I434-L475 HydrophobicContact CB-CD2 4.46Å; I434-L475 HydrophobicContact CG2-CD1 4.34Å; I434-L475 HydrophobicContact CG2-CD2 4.26Å; L435-L475 HydrophobicContact CD1-CD1 3.99Å; L438-L475 HydrophobicContact CD1-CD1 4.12Å; T471-L475 WeakPolarHBondContact O-CG 3.21Å; T471-L475 PolarHBondContact O-N 3.39Å; T471-L475 VanDerWaalsContact O-N 3.16Å; L472-L475 HydrophobicContact CD2-CD1 4.31Å; L472-L475 PolarHBondContact O-N 2.93Å; L475-L478 PolarHBondContact O-N 3.18Å; L475-F479 HydrophobicContact CD2-CE2 4.25Å; L475-F479 WeakPolarHBondContact O-CD2 3.19Å; L475-F479 PolarHBondContact O-N 3.13Å
476Y98.6Very high96.4Very high11 Ų1114.5 Ų14.54%0.0438%0.079CC..Hα-helixtrans-65.1-48.2-179.6-174.8-88.2000110.4L48 R52 V112 F113 L472 K473 Y474 L478 F479 D480L48-Y476 HydrophobicContact CD1-CD1 4.49Å; L48-Y476 HydrophobicContact CD1-CD2 3.74Å; L48-Y476 HydrophobicContact CD1-CE1 4.08Å; L48-Y476 HydrophobicContact CD1-CE2 3.28Å; L48-Y476 HydrophobicContact CD1-CG 4.32Å; L48-Y476 VanDerWaalsContact CD1-CZ 3.44Å; L48-Y476 HydrophobicContact CG-CE2 4.14Å; R52-Y476 HydrophobicContact CB-CE2 4.26Å; R52-Y476 PolarHBondContact NH2-OH 3.33Å; V112-Y476 HydrophobicContact CG1-CD1 3.69Å; V112-Y476 HydrophobicContact CG1-CE1 4.48Å; V112-Y476 HydrophobicContact CG1-CG 4.36Å; V112-Y476 WeakPolarHBondContact O-CD1 3.16Å; V112-Y476 WeakPolarHBondContact O-CE1 3.36Å; F113-Y476 AromaticContact CD1-CD2 3.45Å; F113-Y476 HydrophobicContact CD1-CD2 3.45Å; F113-Y476 VanDerWaalsContact CD1-CD2 3.45Å; F113-Y476 AromaticContact CD1-CE2 3.81Å; F113-Y476 HydrophobicContact CD1-CE2 3.81Å; F113-Y476 AromaticContact CD1-CG 3.9Å; F113-Y476 HydrophobicContact CD1-CG 3.9Å; F113-Y476 AromaticContact CE1-CD2 3.28Å; F113-Y476 HydrophobicContact CE1-CD2 3.28Å; F113-Y476 HydrophobicContact CE1-CE2 4.1Å; F113-Y476 AromaticContact CE1-CG 3.63Å; F113-Y476 HydrophobicContact CE1-CG 3.63Å; F113-Y476 HydrophobicContact CG-CD2 4.48Å; F113-Y476 HydrophobicContact CZ-CD2 4.18Å; F113-Y476 HydrophobicContact CZ-CG 4.1Å; L472-Y476 VanDerWaalsContact O-CB 3.31Å; L472-Y476 WeakPolarHBondContact O-CB 2.91Å; L472-Y476 PolarHBondContact O-N 3.14Å; K473-Y476 PolarHBondContact O-N 2.96Å; Y474-Y476 VanDerWaalsContact C-N 3.33Å; Y474-Y476 PolarHBondContact O-N 2.92Å; Y476-L478 VanDerWaalsContact C-N 3.28Å; Y476-L478 PolarHBondContact O-N 2.77Å; Y476-F479 PolarHBondContact O-N 3.47Å; Y476-D480 HydrophobicContact CD1-CB 4.32Å; Y476-D480 HydrophobicContact CE1-CB 3.9Å; Y476-D480 WeakPolarHBondContact CE1-OD2 3.13Å; Y476-D480 WeakPolarHBondContact O-CB 3.46Å; Y476-D480 PolarHBondContact O-N 3.41Å; Y476-D480 PolarHBondContact OH-OD2 3.03Å; Y476-D480 VanDerWaalsContact OH-OD2 3.13Å
477L97.9Very high95.9Very high0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-62.7-31.8176.6-67.5172.2000112.9V112 Y416 K473 F479 H483 I485 N486 F495V112-L477 HydrophobicContact CG1-CD1 4.33Å; V112-L477 HydrophobicContact CG1-CD2 3.85Å; V112-L477 HydrophobicContact CG1-CG 3.77Å; Y416-L477 HydrophobicContact CD2-CB 3.91Å; Y416-L477 HydrophobicContact CE1-CB 4.48Å; Y416-L477 HydrophobicContact CE1-CD1 4.22Å; Y416-L477 HydrophobicContact CE2-CB 3.45Å; Y416-L477 VanDerWaalsContact CE2-CB 3.45Å; K473-L477 HydrophobicContact CG-CD1 4.46Å; K473-L477 WeakPolarHBondContact O-CG 3.36Å; K473-L477 PolarHBondContact O-N 3.25Å; L477-F479 VanDerWaalsContact C-N 3.29Å; L477-F479 PolarHBondContact O-N 3.31Å; L477-H483 HydrophobicContact CD2-CB 4.3Å; L477-H483 WeakPolarHBondContact CD2-ND1 3.47Å; L477-I485 HydrophobicContact CD2-CB 4.16Å; L477-I485 HydrophobicContact CD2-CD1 4.28Å; L477-I485 HydrophobicContact CD2-CG2 4.44Å; L477-N486 PolarHBondContact O-ND2 3.27Å; L477-F495 HydrophobicContact CD1-CE1 4.23Å; L477-F495 HydrophobicContact CD1-CZ 3.69Å
478L98.3Very high94.7Very high0 Ų027.1 Ų27.10%014%0.137CC..Hα-helixtrans-64.1-33.4176.3177.262.7000112.9T415 Y416 Y419 Q428 Y474 L475 Y476T415-L478 HydrophobicContact CG2-CD2 3.89Å; Y416-L478 HydrophobicContact CD2-CB 4.32Å; Y419-L478 VanDerWaalsContact CB-CD1 3.46Å; Y419-L478 HydrophobicContact CD1-CD1 3.82Å; Y419-L478 HydrophobicContact CD2-CD1 4.36Å; Y419-L478 HydrophobicContact CG-CD1 3.61Å; Q428-L478 HydrophobicContact CG-CD1 3.78Å; Q428-L478 HydrophobicContact CG-CG 4.2Å; Q428-L478 PolarHBondContact NE2-O 3.41Å; Y474-L478 VanDerWaalsContact O-CB 3.31Å; Y474-L478 WeakPolarHBondContact O-CB 3.3Å; Y474-L478 PolarHBondContact O-N 3.27Å; L475-L478 PolarHBondContact O-N 3.18Å; Y476-L478 VanDerWaalsContact C-N 3.28Å; Y476-L478 PolarHBondContact O-N 2.77Å
479F98.2Very high93.8Very high5 Ų528.3 Ų28.32%0.02214%0.142CC..Hα-helixtrans-94.8-30.2-179.1-58.8-54.7000113.5L44 L48 L432 L435 L475 Y476 L477 V481L44-F479 HydrophobicContact CD2-CD1 4.37Å; L48-F479 HydrophobicContact CB-CB 4.15Å; L48-F479 HydrophobicContact CD1-CB 4.48Å; L432-F479 HydrophobicContact CD2-CE1 3.81Å; L432-F479 HydrophobicContact CD2-CZ 3.87Å; L432-F479 HydrophobicContact CG-CE1 3.88Å; L432-F479 HydrophobicContact CG-CZ 4.12Å; L435-F479 HydrophobicContact CD2-CE2 4.17Å; L475-F479 HydrophobicContact CD2-CE2 4.25Å; L475-F479 WeakPolarHBondContact O-CD2 3.19Å; L475-F479 PolarHBondContact O-N 3.13Å; Y476-F479 PolarHBondContact O-N 3.47Å; L477-F479 VanDerWaalsContact C-N 3.29Å; L477-F479 PolarHBondContact O-N 3.31Å; F479-V481 VanDerWaalsContact C-N 3.33Å; F479-V481 PolarHBondContact O-N 2.98Å
480D96.1Very high92.9Very high28 Ų2832.1 Ų32.115%0.1516%0.16CC..  trans-8373.5178-162.6-15.8000111.8L48 Y476 D482 H483 N486L48-D480 HydrophobicContact CD1-CB 3.63Å; Y476-D480 HydrophobicContact CD1-CB 4.32Å; Y476-D480 HydrophobicContact CE1-CB 3.9Å; Y476-D480 WeakPolarHBondContact CE1-OD2 3.13Å; Y476-D480 WeakPolarHBondContact O-CB 3.46Å; Y476-D480 PolarHBondContact O-N 3.41Å; Y476-D480 PolarHBondContact OH-OD2 3.03Å; Y476-D480 VanDerWaalsContact OH-OD2 3.13Å; D480-D482 PolarHBondContact O-N 2.92Å; D480-D482 PolarHBondContact OD1-N 3.01Å; D480-H483 HydrophobicContact CB-CB 3.93Å; D480-H483 VanDerWaalsContact O-CB 3.24Å; D480-H483 WeakPolarHBondContact O-CB 3.45Å; D480-H483 PolarHBondContact O-N 2.96Å; D480-H483 PolarHBondContact OD1-N 3.24Å; D480-H483 VanDerWaalsContact OD1-N 3.09Å; D480-H483 IonicContact OD2-CD2 2.63Å; D480-N486 PolarHBondContact O-ND2 3.26Å
481V92.5Very high92.1Very high48 Ų4841.4 Ų41.429%0.29120%0.203SC..THydrogen-bonded Turntrans-59.8-19.8-178.8-56.30000113.7Y419 F479Y419-V481 HydrophobicContact CE1-CG1 4.39Å; Y419-V481 WeakPolarHBondContact OH-CG1 3.3Å; F479-V481 VanDerWaalsContact C-N 3.33Å; F479-V481 PolarHBondContact O-N 2.98Å
482D92Very high91.3Very high105 Ų10544.4 Ų44.456%0.56122%0.224SC*.THydrogen-bonded Turntrans-97.5-2.5-178.7-68.4-35000113.6D480 K487D480-D482 PolarHBondContact O-N 2.92Å; D480-D482 PolarHBondContact OD1-N 3.01Å; D482-K487 VanDerWaalsContact CG-NZ 3.31Å; D482-K487 WeakPolarHBondContact OD1-CE 3.1Å; D482-K487 IonicContact OD1-NZ 2.74Å; D482-K487 PolarHBondContact OD1-NZ 2.97Å
483H93.8Very high91Very high14 Ų1446.2 Ų46.27%0.06524%0.235CC..SBendtrans-55.5141179.3-163.9-96.5000111.8V112 L477 D480 I485 N486 K487V112-H483 PolarHBondContact O-NE2 2.77Å; L477-H483 HydrophobicContact CD2-CB 4.3Å; L477-H483 WeakPolarHBondContact CD2-ND1 3.47Å; D480-H483 HydrophobicContact CB-CB 3.93Å; D480-H483 VanDerWaalsContact O-CB 3.24Å; D480-H483 WeakPolarHBondContact O-CB 3.45Å; D480-H483 PolarHBondContact O-N 2.96Å; D480-H483 PolarHBondContact OD1-N 3.24Å; D480-H483 VanDerWaalsContact OD1-N 3.09Å; D480-H483 IonicContact OD2-CD2 2.63Å; H483-I485 WeakPolarHBondContact ND1-CB 3.49Å; H483-I485 PolarHBondContact ND1-N 3.22Å; H483-I485 PolarHBondContact O-N 3.26Å; H483-I485 VanDerWaalsContact O-N 3.12Å; H483-N486 HydrophobicContact CB-CB 4.36Å; H483-N486 WeakPolarHBondContact O-CA 3.34Å; H483-N486 WeakPolarHBondContact O-CB 3.29Å; H483-N486 PolarHBondContact O-N 3.19Å; H483-K487 PolarHBondContact O-N 3.02Å
484P90.3Very high90.8Very high48 Ų4848.5 Ų48.531%0.31225%0.247SC..G310 helixtrans-52.5-37.6179-29.635.9000114.1N486 K487 E488 Q489P484-N486 VanDerWaalsContact C-N 3.31Å; P484-N486 PolarHBondContact O-N 2.9Å; P484-K487 CarbonylContact O-C 3.59Å; P484-K487 PolarHBondContact O-N 3.39Å; P484-E488 PolarHBondContact O-N 3.19Å; P484-Q489 HydrophobicContact CB-CG 4.26Å; P484-Q489 WeakPolarHBondContact O-CB 3.34Å; P484-Q489 PolarHBondContact O-N 3.38Å
485I91.8Very high90.7Very high12 Ų1250 Ų506%0.06225%0.254CS..G310 helixtrans-64.9-32.7176.5-61176.7000112.1V112 F165 L477 H483 K487 Q490 V493 F495V112-I485 HydrophobicContact CG2-CD1 4.02Å; F165-I485 HydrophobicContact CD1-CG1 4.04Å; F165-I485 HydrophobicContact CE1-CG1 3.97Å; L477-I485 HydrophobicContact CD2-CB 4.16Å; L477-I485 HydrophobicContact CD2-CD1 4.28Å; L477-I485 HydrophobicContact CD2-CG2 4.44Å; H483-I485 WeakPolarHBondContact ND1-CB 3.49Å; H483-I485 PolarHBondContact ND1-N 3.22Å; H483-I485 PolarHBondContact O-N 3.26Å; H483-I485 VanDerWaalsContact O-N 3.12Å; I485-K487 VanDerWaalsContact C-N 3.3Å; I485-Q490 WeakPolarHBondContact O-CA 3.13Å; I485-Q490 VanDerWaalsContact O-CB 3.26Å; I485-Q490 WeakPolarHBondContact O-CB 3.28Å; I485-Q490 PolarHBondContact O-N 3.07Å; I485-V493 HydrophobicContact CG1-CG2 4.43Å; I485-V493 HydrophobicContact CG2-CB 4.4Å; I485-V493 HydrophobicContact CG2-CG1 4.18Å; I485-V493 HydrophobicContact CG2-CG2 4.43Å; I485-F495 HydrophobicContact CG2-CE2 4.46Å; I485-F495 HydrophobicContact CG2-CZ 4.14Å
486N90.9Very high90.7Very high7 Ų751.2 Ų51.24%0.03726%0.263CS..G310 helixtrans-82.3-8.2178.5-77.1-33.5000114Y416 L477 D480 H483 P484 Q490Y416-N486 WeakPolarHBondContact CE2-OD1 3.42Å; Y416-N486 PolarHBondContact OH-OD1 3.1Å; L477-N486 PolarHBondContact O-ND2 3.27Å; D480-N486 PolarHBondContact O-ND2 3.26Å; H483-N486 HydrophobicContact CB-CB 4.36Å; H483-N486 WeakPolarHBondContact O-CA 3.34Å; H483-N486 WeakPolarHBondContact O-CB 3.29Å; H483-N486 PolarHBondContact O-N 3.19Å; P484-N486 VanDerWaalsContact C-N 3.31Å; P484-N486 PolarHBondContact O-N 2.9Å; N486-Q490 PolarHBondContact O-OE1 3.46Å
487K86.8Confident90.6Very high108 Ų10852 Ų5247%0.4727%0.268SS..THydrogen-bonded Turntrans-125-102.6-176.4-71.2-177.9169169.40110.8D482 H483 P484 I485 Q489 Q490D482-K487 VanDerWaalsContact CG-NZ 3.31Å; D482-K487 WeakPolarHBondContact OD1-CE 3.1Å; D482-K487 IonicContact OD1-NZ 2.74Å; D482-K487 PolarHBondContact OD1-NZ 2.97Å; H483-K487 PolarHBondContact O-N 3.02Å; P484-K487 CarbonylContact O-C 3.59Å; P484-K487 PolarHBondContact O-N 3.39Å; I485-K487 VanDerWaalsContact C-N 3.3Å; K487-Q489 VanDerWaalsContact C-N 3.27Å; K487-Q489 PolarHBondContact O-N 3.46Å; K487-Q490 WeakPolarHBondContact O-CB 3.32Å; K487-Q490 PolarHBondContact O-N 3.17Å
488E73.7Confident90.4Very high170 Ų17052.8 Ų52.879%0.79427%0.272SS*.THydrogen-bonded Turntrans-66-31.4-166.4-60.7-178.517900112.5P484P484-E488 PolarHBondContact O-N 3.19Å
489Q78.9Confident90Very high29 Ų2955.4 Ų55.414%0.13629%0.286CS..THydrogen-bonded Turntrans-96.5-1.6-175.2-53.8-55.1-49.100113.1R164 F165 P484 K487 E491 S492 V493R164-Q489 HydrophobicContact CB-CG 4.49Å; R164-Q489 HydrophobicContact CG-CG 4.4Å; F165-Q489 HydrophobicContact CD1-CB 4.43Å; F165-Q489 HydrophobicContact CD1-CG 4.13Å; F165-Q489 HydrophobicContact CE1-CB 3.72Å; F165-Q489 HydrophobicContact CE1-CG 3.81Å; P484-Q489 HydrophobicContact CB-CG 4.26Å; P484-Q489 WeakPolarHBondContact O-CB 3.34Å; P484-Q489 PolarHBondContact O-N 3.38Å; K487-Q489 VanDerWaalsContact C-N 3.27Å; K487-Q489 PolarHBondContact O-N 3.46Å; Q489-E491 VanDerWaalsContact C-N 3.28Å; Q489-E491 PolarHBondContact O-N 3.29Å; Q489-S492 WeakPolarHBondContact CA-OG 3.42Å; Q489-S492 CarbonylContact O-C 3.55Å; Q489-S492 WeakPolarHBondContact O-CA 3.46Å; Q489-S492 PolarHBondContact O-N 3.3Å; Q489-S492 PolarHBondContact O-OG 3.22Å; Q489-S492 PolarHBondContact OE1-OG 3.26Å; Q489-V493 HydrophobicContact CB-CG2 4.22Å; Q489-V493 WeakPolarHBondContact O-CG2 3.38Å; Q489-V493 PolarHBondContact O-N 3.42Å
490Q79.7Confident89.6Confident79 Ų7958.1 Ų58.137%0.36930%0.3SS..G310 helixtrans-56.9-40.2-171.2-165.6-172-33.100112.6T420 I485 N486 K487 S492T420-Q490 HydrophobicContact CG2-CG 4.43Å; I485-Q490 WeakPolarHBondContact O-CA 3.13Å; I485-Q490 VanDerWaalsContact O-CB 3.26Å; I485-Q490 WeakPolarHBondContact O-CB 3.28Å; I485-Q490 PolarHBondContact O-N 3.07Å; N486-Q490 PolarHBondContact O-OE1 3.46Å; K487-Q490 WeakPolarHBondContact O-CB 3.32Å; K487-Q490 PolarHBondContact O-N 3.17Å; Q490-S492 PolarHBondContact O-N 2.92Å
491E80.6Confident89.2Confident204 Ų20459.7 Ų59.795%0.95331%0.308SS*.G310 helixtrans-75.2-9.9178.6-62.8-174.6169.900113.7Q489Q489-E491 VanDerWaalsContact C-N 3.28Å; Q489-E491 PolarHBondContact O-N 3.29Å
492S83.7Confident89Confident63 Ų6360.4 Ų60.444%0.44131%0.309SS..G310 helixtrans-111.92.5-174.872.30000114Q489 Q490Q489-S492 WeakPolarHBondContact CA-OG 3.42Å; Q489-S492 CarbonylContact O-C 3.55Å; Q489-S492 WeakPolarHBondContact O-CA 3.46Å; Q489-S492 PolarHBondContact O-N 3.3Å; Q489-S492 PolarHBondContact O-OG 3.22Å; Q489-S492 PolarHBondContact OE1-OG 3.26Å; Q490-S492 PolarHBondContact O-N 2.92Å
493V91.3Very high88.8Confident37 Ų3757.6 Ų57.622%0.22429%0.293CS..  trans-117.4129.5-179.4175.60000109.1F165 I485 Q489 F495F165-V493 HydrophobicContact CE1-CG2 3.64Å; F165-V493 HydrophobicContact CZ-CG2 3.63Å; I485-V493 HydrophobicContact CG1-CG2 4.43Å; I485-V493 HydrophobicContact CG2-CB 4.4Å; I485-V493 HydrophobicContact CG2-CG1 4.18Å; I485-V493 HydrophobicContact CG2-CG2 4.43Å; Q489-V493 HydrophobicContact CB-CG2 4.22Å; Q489-V493 WeakPolarHBondContact O-CG2 3.38Å; Q489-V493 PolarHBondContact O-N 3.42Å; V493-F495 HydrophobicContact CG1-CD2 4.4Å; V493-F495 HydrophobicContact CG1-CE2 3.96Å; V493-F495 HydrophobicContact CG1-CZ 4.04Å
494L95Very high88.5Confident50 Ų5060.5 Ų60.526%0.26231%0.308SS..  trans-129.6123.8170.1-176.268000107.6K295 I298 L299K295-L494 HydrophobicContact CB-CD2 4.05Å; K295-L494 HydrophobicContact CD-CD1 4.32Å; K295-L494 HydrophobicContact CG-CD1 4.18Å; K295-L494 HydrophobicContact CG-CD2 4.48Å; K295-L494 WeakPolarHBondContact O-CD2 3.28Å; I298-L494 HydrophobicContact CB-CD2 4.31Å; I298-L494 HydrophobicContact CG2-CD1 4.13Å; I298-L494 HydrophobicContact CG2-CD2 4.17Å; L299-L494 HydrophobicContact CB-CD2 3.74Å; L299-L494 HydrophobicContact CD1-CD2 4.33Å; L299-L494 HydrophobicContact CD2-CD2 4.49Å; L299-L494 HydrophobicContact CG-CD2 4.41Å
495F96.6Very high88.4Confident31 Ų3161.4 Ų61.414%0.13631%0.308CS..  trans-78.9139.5174.1-62.8-85.7000109.7K295 Y416 K473 Y474 L477 I485 V493K295-F495 VanDerWaalsContact CD-O 3.24Å; K295-F495 WeakPolarHBondContact CD-O 3.41Å; K295-F495 VanDerWaalsContact CE-O 3.26Å; K295-F495 WeakPolarHBondContact CE-O 3.31Å; K295-F495 PolarHBondContact NZ-O 2.91Å; Y416-F495 HydrophobicContact CE1-CE2 4.05Å; Y416-F495 HydrophobicContact CE1-CZ 4.47Å; K473-F495 HydrophobicContact CD-CE1 4.15Å; Y474-F495 HydrophobicContact CE1-CD1 4.01Å; Y474-F495 HydrophobicContact CE1-CD2 4.28Å; Y474-F495 HydrophobicContact CE1-CE1 4.22Å; Y474-F495 HydrophobicContact CE1-CE2 4.48Å; Y474-F495 HydrophobicContact CE1-CG 4.04Å; Y474-F495 HydrophobicContact CE1-CZ 4.45Å; Y474-F495 WeakPolarHBondContact OH-CB 3.4Å; L477-F495 HydrophobicContact CD1-CE1 4.23Å; L477-F495 HydrophobicContact CD1-CZ 3.69Å; I485-F495 HydrophobicContact CG2-CE2 4.46Å; I485-F495 HydrophobicContact CG2-CZ 4.14Å; V493-F495 HydrophobicContact CG1-CD2 4.4Å; V493-F495 HydrophobicContact CG1-CE2 3.96Å; V493-F495 HydrophobicContact CG1-CZ 4.04Å
496S97.4Very high88.1Confident27 Ų2765.2 Ų65.219%0.18933%0.327CS..  trans-66.7-169.7163.929.50000110.5K295 E498K295-S496 PolarHBondContact NZ-O 2.73Å; S496-E498 WeakPolarHBondContact CB-O 3.2Å; S496-E498 PolarHBondContact OG-O 2.73Å
497T96.4Very high87.9Confident27 Ų2770.1 Ų70.117%0.16635%0.351CS..  trans-83.9-1.1171.3-155.80000112I145 E291 Y292I145-T497 HydrophobicContact CB-CG2 4.18Å; I145-T497 HydrophobicContact CD1-CG2 3.99Å; I145-T497 HydrophobicContact CG2-CG2 3.88Å; E291-T497 WeakPolarHBondContact OE1-CA 3.49Å; E291-T497 WeakPolarHBondContact OE1-CB 3.3Å; E291-T497 PolarHBondContact OE1-N 3.37Å; E291-T497 WeakPolarHBondContact OE2-CB 3.03Å; E291-T497 PolarHBondContact OE2-OG1 3.17Å; Y292-T497 HydrophobicContact CE1-CG2 3.83Å
498E94.6Very high88Confident16 Ų1666.6 Ų66.68%0.07534%0.34CS..  trans-130.50168.5-163.396.8172.700108.8I145 R146 F466 E470 S496I145-E498 HydrophobicContact CB-CB 4.28Å; I145-E498 HydrophobicContact CD1-CB 4.48Å; I145-E498 HydrophobicContact CG1-CB 4.33Å; R146-E498 HydrophobicContact CB-CG 4.49Å; R146-E498 HydrophobicContact CG-CG 4.04Å; R146-E498 WeakPolarHBondContact CG-OE1 3.32Å; R146-E498 IonicContact CZ-OE1 3.35Å; R146-E498 IonicContact CZ-OE2 2.67Å; R146-E498 IonicContact NE-OE1 2.9Å; R146-E498 IonicContact NE-OE2 2.74Å; R146-E498 IonicContact NH1-OE1 2.93Å; R146-E498 PolarHBondContact NH1-OE1 3.14Å; R146-E498 IonicContact NH1-OE2 3.92Å; F466-E498 WeakPolarHBondContact CB-OE1 3.3Å; E470-E498 HydrophobicContact CG-CG 4.5Å; E470-E498 WeakPolarHBondContact CG-OXT 3.37Å; S496-E498 WeakPolarHBondContact CB-O 3.2Å; S496-E498 PolarHBondContact OG-O 2.73Å

Retrieved 498 of 498 residues in 388.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).