A0A087XCL6_POEFO Loading...

Ribitol xylosyltransferase 1

AlphaFold DB , UniProt , Accession A0A087XCL6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 439 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.3Very low69.5Low238 Ų238150.1 Ų150.1100%1.17270%0.704SS**  0115.10-86.3159.466.900109.6I3M1-I3 PolarHBondContact O-N 2.61Å
2K54.9Low70.8Confident215 Ų215146.1 Ų146.194%0.93569%0.689SS**  trans-82.5109.4177.3-72.1-179.9178.5176.40108.8
3I59.4Low72Confident122 Ų122141.5 Ų141.563%0.62667%0.67SS**  trans-66.8126176.1-60.5172.5000107.7M1 K5 K7M1-I3 PolarHBondContact O-N 2.61Å; I3-K5 PolarHBondContact O-N 2.79Å; I3-K7 HydrophobicContact CG2-CB 4.25Å
4P73.5Confident73.3Confident75 Ų75142.4 Ų142.449%0.48767%0.67SS.*  trans-63.9129.7-178.923.2-31.2000109.7R6 K7P4-R6 PolarHBondContact O-N 3.36Å; P4-K7 HydrophobicContact CG-CB 4.35Å; P4-K7 HydrophobicContact CG-CD 4Å; P4-K7 HydrophobicContact CG-CG 4.04Å; P4-K7 PolarHBondContact O-N 3.09Å
5K69.3Low74.3Confident188 Ų188136.8 Ų136.882%0.81766%0.658SS**Hα-helixtrans-47.8-29.5-175-67.2-176.4176.6-177.70113.8I3 L8 F9I3-K5 PolarHBondContact O-N 2.79Å; K5-L8 PolarHBondContact O-N 3.2Å; K5-F9 PolarHBondContact O-N 3.35Å
6R69.7Low75.3Confident209 Ų209138.9 Ų138.979%0.78966%0.659SS**Hα-helixtrans-66.1-36.5176.8-160173.7-177.4179.80.4113.7P4 L10P4-R6 PolarHBondContact O-N 3.36Å; R6-L10 WeakPolarHBondContact O-CG 3.27Å; R6-L10 PolarHBondContact O-N 3.28Å
7K71.6Confident76.2Confident140 Ų140135.1 Ų135.161%0.60965%0.646SS**Hα-helixtrans-73.9-33.5176-72.5-170.2178.6-172.80111.9I3 P4 L11I3-K7 HydrophobicContact CG2-CB 4.25Å; P4-K7 HydrophobicContact CG-CB 4.35Å; P4-K7 HydrophobicContact CG-CD 4Å; P4-K7 HydrophobicContact CG-CG 4.04Å; P4-K7 PolarHBondContact O-N 3.09Å; K7-L11 PolarHBondContact O-N 3Å; K7-L11 VanDerWaalsContact O-N 3.12Å
8L75.6Confident76.8Confident98 Ų98130.3 Ų130.351%0.51363%0.633SS.*Hα-helixtrans-66.6-41.7174.2-171.369.6000111.3K5 L11 I12K5-L8 PolarHBondContact O-N 3.2Å; L8-L11 WeakPolarHBondContact O-CB 3.29Å; L8-L11 PolarHBondContact O-N 2.87Å; L8-I12 HydrophobicContact CG-CD1 4.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.4Å; L8-I12 PolarHBondContact O-N 2.96Å
9F78.5Confident77.5Confident141 Ų141131.1 Ų131.162%0.61863%0.633SS**Hα-helixtrans-64.9-40.8178.4-139.9-90.6000112.5K5 L11 I12 I13K5-F9 PolarHBondContact O-N 3.35Å; F9-L11 VanDerWaalsContact C-N 3.34Å; F9-I12 PolarHBondContact O-N 2.89Å; F9-I13 HydrophobicContact CD1-CD1 3.83Å; F9-I13 HydrophobicContact CD1-CG1 4.36Å; F9-I13 HydrophobicContact CE1-CD1 4.21Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 3.22Å
10L81.9Confident77.8Confident110 Ų110127.1 Ų127.158%0.57662%0.619SS**Hα-helixtrans-65.2-37.2175.3-73.9167.1000112.4R6 I13 F14R6-L10 WeakPolarHBondContact O-CG 3.27Å; R6-L10 PolarHBondContact O-N 3.28Å; L10-I13 PolarHBondContact O-N 3.05Å; L10-F14 WeakPolarHBondContact O-CB 3.31Å; L10-F14 PolarHBondContact O-N 3.16Å
11L82.6Confident78.2Confident115 Ų115126.7 Ų126.760%0.60262%0.619SS**Hα-helixtrans-64-40.4173.9-100.1157.7000112.3K7 L8 F9 F14 A15K7-L11 PolarHBondContact O-N 3Å; K7-L11 VanDerWaalsContact O-N 3.12Å; L8-L11 WeakPolarHBondContact O-CB 3.29Å; L8-L11 PolarHBondContact O-N 2.87Å; F9-L11 VanDerWaalsContact C-N 3.34Å; L11-F14 PolarHBondContact O-N 2.96Å; L11-A15 WeakPolarHBondContact O-CB 3.28Å; L11-A15 PolarHBondContact O-N 2.8Å
12I85.4Confident80Confident102 Ų102122 Ų12252%0.52359%0.59SS.*Hα-helixtrans-66-44.4177.1-67.2165.2000110.7L8 F9 F14 A15 Y16L8-I12 HydrophobicContact CG-CD1 4.27Å; L8-I12 WeakPolarHBondContact O-CG1 3.4Å; L8-I12 PolarHBondContact O-N 2.96Å; F9-I12 PolarHBondContact O-N 2.89Å; I12-F14 VanDerWaalsContact C-N 3.35Å; I12-F14 PolarHBondContact O-N 3.35Å; I12-A15 PolarHBondContact O-N 2.81Å; I12-Y16 WeakPolarHBondContact O-CB 3.49Å; I12-Y16 PolarHBondContact O-N 3.17Å
13I86.2Confident81.1Confident86 Ų86113.8 Ų113.844%0.44156%0.562SS.*Hα-helixtrans-61.9-45.2176.2-67.9169.2000110.2F9 L10 A15 Y16 V17F9-I13 HydrophobicContact CD1-CD1 3.83Å; F9-I13 HydrophobicContact CD1-CG1 4.36Å; F9-I13 HydrophobicContact CE1-CD1 4.21Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 3.22Å; L10-I13 PolarHBondContact O-N 3.05Å; I13-A15 PolarHBondContact O-N 3.25Å; I13-Y16 PolarHBondContact O-N 3.33Å; I13-V17 HydrophobicContact CG2-CG2 4.44Å; I13-V17 WeakPolarHBondContact O-CG2 3.11Å; I13-V17 PolarHBondContact O-N 3.02Å
14F90.5Very high82Confident154 Ų154110 Ų11068%0.67555%0.548SS*.Hα-helixtrans-62.5-42.7179.1-168.7-95.6000112.1L10 L11 I12 Y16 V17 A18L10-F14 WeakPolarHBondContact O-CB 3.31Å; L10-F14 PolarHBondContact O-N 3.16Å; L11-F14 PolarHBondContact O-N 2.96Å; I12-F14 VanDerWaalsContact C-N 3.35Å; I12-F14 PolarHBondContact O-N 3.35Å; F14-Y16 VanDerWaalsContact C-N 3.33Å; F14-Y16 PolarHBondContact O-N 3.46Å; F14-V17 PolarHBondContact O-N 3.16Å; F14-A18 WeakPolarHBondContact O-CB 3.35Å; F14-A18 PolarHBondContact O-N 2.91Å
15A88.7Confident82.4Confident59 Ų59113 Ų11349%0.48855%0.551SS.*Hα-helixtrans-62.2-40.3174.700000111.9L11 I12 I13 A18 F19L11-A15 WeakPolarHBondContact O-CB 3.28Å; L11-A15 PolarHBondContact O-N 2.8Å; I12-A15 PolarHBondContact O-N 2.81Å; I13-A15 PolarHBondContact O-N 3.25Å; A15-A18 PolarHBondContact O-N 3.18Å; A15-F19 WeakPolarHBondContact O-CB 3.28Å; A15-F19 PolarHBondContact O-N 3.34Å
16Y90.4Very high82.7Confident170 Ų170106.6 Ų106.667%0.66753%0.526SS*.Hα-helixtrans-65.4-43.6177.4-173.2-95.8000112.3I12 I13 F14 F19 S20I12-Y16 WeakPolarHBondContact O-CB 3.49Å; I12-Y16 PolarHBondContact O-N 3.17Å; I13-Y16 PolarHBondContact O-N 3.33Å; F14-Y16 VanDerWaalsContact C-N 3.33Å; F14-Y16 PolarHBondContact O-N 3.46Å; Y16-F19 PolarHBondContact O-N 2.89Å; Y16-S20 WeakPolarHBondContact O-CB 3.41Å; Y16-S20 PolarHBondContact O-N 2.94Å; Y16-S20 PolarHBondContact O-OG 3.49Å
17V89.2Confident82.9Confident74 Ų74102.1 Ų102.145%0.44852%0.521SS..Hα-helixtrans-64.8-44.2176.4176.10000111I13 F14 F19 S20 L21I13-V17 HydrophobicContact CG2-CG2 4.44Å; I13-V17 WeakPolarHBondContact O-CG2 3.11Å; I13-V17 PolarHBondContact O-N 3.02Å; F14-V17 PolarHBondContact O-N 3.16Å; V17-F19 VanDerWaalsContact C-N 3.35Å; V17-F19 PolarHBondContact O-N 3.31Å; V17-S20 PolarHBondContact O-N 3.39Å; V17-L21 HydrophobicContact CG1-CD1 3.99Å; V17-L21 HydrophobicContact CG1-CG 4.42Å; V17-L21 WeakPolarHBondContact O-CG 3.29Å; V17-L21 PolarHBondContact O-N 3.16Å
18A88.6Confident82.9Confident49 Ų49103 Ų10341%0.40553%0.525SS..Hα-helixtrans-61.7-41.8177.100000112.2F14 A15 L21 Y22F14-A18 WeakPolarHBondContact O-CB 3.35Å; F14-A18 PolarHBondContact O-N 2.91Å; A15-A18 PolarHBondContact O-N 3.18Å; A18-L21 PolarHBondContact O-N 3.41Å; A18-Y22 WeakPolarHBondContact O-CB 3.42Å; A18-Y22 PolarHBondContact O-N 2.85Å
19F89.1Confident82.6Confident146 Ų146105.1 Ų105.164%0.6453%0.531SS*.Hα-helixtrans-66.9-39.6176.6-156.8-88.8000112.2A15 Y16 V17 Y22 A23A15-F19 WeakPolarHBondContact O-CB 3.28Å; A15-F19 PolarHBondContact O-N 3.34Å; Y16-F19 PolarHBondContact O-N 2.89Å; V17-F19 VanDerWaalsContact C-N 3.35Å; V17-F19 PolarHBondContact O-N 3.31Å; F19-Y22 PolarHBondContact O-N 3.46Å; F19-A23 WeakPolarHBondContact O-CB 3.42Å; F19-A23 PolarHBondContact O-N 3.5Å
20S84.6Confident81.5Confident51 Ų51100.9 Ų100.936%0.35752%0.519SS..Hα-helixtrans-64.4-41.4177.1-56.90000111.6Y16 V17 A23 A24Y16-S20 WeakPolarHBondContact O-CB 3.41Å; Y16-S20 PolarHBondContact O-N 2.94Å; Y16-S20 PolarHBondContact O-OG 3.49Å; V17-S20 PolarHBondContact O-N 3.39Å; S20-A23 PolarHBondContact O-N 3.04Å; S20-A24 WeakPolarHBondContact O-CB 3.35Å; S20-A24 PolarHBondContact O-N 3.29Å
21L85.3Confident80Confident118 Ų118103.2 Ų103.262%0.61853%0.532SS*.Hα-helixtrans-67.4-39.1175.4-70.1172.1000111.9V17 A18 A24 Y25V17-L21 HydrophobicContact CG1-CD1 3.99Å; V17-L21 HydrophobicContact CG1-CG 4.42Å; V17-L21 WeakPolarHBondContact O-CG 3.29Å; V17-L21 PolarHBondContact O-N 3.16Å; A18-L21 PolarHBondContact O-N 3.41Å; L21-A24 PolarHBondContact O-N 3.01Å; L21-Y25 WeakPolarHBondContact O-CB 3.29Å; L21-Y25 PolarHBondContact O-N 3.25Å
22Y84.4Confident78.3Confident140 Ų140106 Ų10655%0.54954%0.539SS..Hα-helixtrans-66.1-38.8175.1178.9-102.7000112.6A18 F19 Y25 N26A18-Y22 WeakPolarHBondContact O-CB 3.42Å; A18-Y22 PolarHBondContact O-N 2.85Å; F19-Y22 PolarHBondContact O-N 3.46Å; Y22-Y25 PolarHBondContact O-N 3.42Å; Y22-N26 WeakPolarHBondContact CE1-ND2 3.38Å; Y22-N26 WeakPolarHBondContact CE2-ND2 3.42Å; Y22-N26 PolarHBondContact O-N 3.47Å; Y22-N26 PolarHBondContact O-ND2 3.45Å
23A79.8Confident76.3Confident43 Ų43107.6 Ų107.636%0.35555%0.553SS.*Hα-helixtrans-65.3-45174.600000111.2F19 S20 Y25 N26 V27F19-A23 WeakPolarHBondContact O-CB 3.42Å; F19-A23 PolarHBondContact O-N 3.5Å; S20-A23 PolarHBondContact O-N 3.04Å; A23-Y25 VanDerWaalsContact C-N 3.34Å; A23-Y25 PolarHBondContact O-N 3.28Å; A23-N26 PolarHBondContact O-N 2.91Å; A23-V27 VanDerWaalsContact O-CG2 3.25Å; A23-V27 WeakPolarHBondContact O-CG2 3.43Å; A23-V27 PolarHBondContact O-N 2.91Å
24A76.6Confident74.1Confident41 Ų41110.1 Ų110.134%0.33957%0.566SS.*Hα-helixtrans-60.3-43.8174.600000111.5S20 L21 N26 V27 F28S20-A24 WeakPolarHBondContact O-CB 3.35Å; S20-A24 PolarHBondContact O-N 3.29Å; L21-A24 PolarHBondContact O-N 3.01Å; A24-N26 VanDerWaalsContact C-N 3.34Å; A24-N26 PolarHBondContact O-N 3.44Å; A24-V27 PolarHBondContact O-N 3.07Å; A24-F28 HydrophobicContact CB-CD2 4.48Å; A24-F28 VanDerWaalsContact O-CD2 3.23Å; A24-F28 WeakPolarHBondContact O-CD2 3.44Å; A24-F28 PolarHBondContact O-N 2.93Å
25Y83.3Confident71.5Confident138 Ų138107.1 Ų107.154%0.54157%0.565SS.*Hα-helixtrans-59.3-42.8176179.6-96.9000112.5L21 Y22 A23 F29 S30L21-Y25 WeakPolarHBondContact O-CB 3.29Å; L21-Y25 PolarHBondContact O-N 3.25Å; Y22-Y25 PolarHBondContact O-N 3.42Å; A23-Y25 VanDerWaalsContact C-N 3.34Å; A23-Y25 PolarHBondContact O-N 3.28Å; Y25-F29 HydrophobicContact CD2-CB 4.07Å; Y25-F29 AromaticContact CD2-CD2 3.89Å; Y25-F29 HydrophobicContact CD2-CD2 3.89Å; Y25-F29 HydrophobicContact CD2-CG 4.26Å; Y25-F29 HydrophobicContact CE2-CB 3.87Å; Y25-F29 HydrophobicContact CE2-CD2 4.32Å; Y25-F29 HydrophobicContact CE2-CG 4.26Å; Y25-F29 WeakPolarHBondContact O-CA 3.41Å; Y25-F29 WeakPolarHBondContact O-CB 3.48Å; Y25-F29 PolarHBondContact O-N 3.29Å; Y25-S30 PolarHBondContact O-N 3.05Å
26N75Confident68.9Low54 Ų54115.4 Ų115.429%0.28958%0.583SS.*Hα-helixtrans-68.9-33.4177.1-79.4-67.6000113.2Y22 A23 A24 S30Y22-N26 WeakPolarHBondContact CE1-ND2 3.38Å; Y22-N26 WeakPolarHBondContact CE2-ND2 3.42Å; Y22-N26 PolarHBondContact O-N 3.47Å; Y22-N26 PolarHBondContact O-ND2 3.45Å; A23-N26 PolarHBondContact O-N 2.91Å; A24-N26 VanDerWaalsContact C-N 3.34Å; A24-N26 PolarHBondContact O-N 3.44Å; N26-S30 VanDerWaalsContact O-CB 3.28Å; N26-S30 WeakPolarHBondContact O-CB 3.41Å; N26-S30 PolarHBondContact O-N 3.16Å
27V74Confident66.2Low115 Ų115113 Ų11370%0.69759%0.586SS**Hα-helixtrans-72.5-39.9178.6173.30000111.4A23 A24A23-V27 VanDerWaalsContact O-CG2 3.25Å; A23-V27 WeakPolarHBondContact O-CG2 3.43Å; A23-V27 PolarHBondContact O-N 2.91Å; A24-V27 PolarHBondContact O-N 3.07Å
28F71.6Confident63.5Low158 Ų158118.7 Ų118.769%0.69361%0.607SS**Hα-helixtrans-94.3-24-173.9-69.9-70.9000114.5A24A24-F28 HydrophobicContact CB-CD2 4.48Å; A24-F28 VanDerWaalsContact O-CD2 3.23Å; A24-F28 WeakPolarHBondContact O-CD2 3.44Å; A24-F28 PolarHBondContact O-N 2.93Å
29F68.9Low60.7Low144 Ų144127.6 Ų127.663%0.63263%0.631SS**Hα-helixtrans-130.6-10.9-170.5-58.8-79.8000115.4Y25 N31Y25-F29 HydrophobicContact CD2-CB 4.07Å; Y25-F29 AromaticContact CD2-CD2 3.89Å; Y25-F29 HydrophobicContact CD2-CD2 3.89Å; Y25-F29 HydrophobicContact CD2-CG 4.26Å; Y25-F29 HydrophobicContact CE2-CB 3.87Å; Y25-F29 HydrophobicContact CE2-CD2 4.32Å; Y25-F29 HydrophobicContact CE2-CG 4.26Å; Y25-F29 WeakPolarHBondContact O-CA 3.41Å; Y25-F29 WeakPolarHBondContact O-CB 3.48Å; Y25-F29 PolarHBondContact O-N 3.29Å; F29-N31 PolarHBondContact O-N 2.98Å
30S55.1Low58Low52 Ų52127.1 Ų127.136%0.36464%0.639SS.*  trans-80.587.9172.7153.70000110.5Y25 N26 K32Y25-S30 PolarHBondContact O-N 3.05Å; N26-S30 VanDerWaalsContact O-CB 3.28Å; N26-S30 WeakPolarHBondContact O-CB 3.41Å; N26-S30 PolarHBondContact O-N 3.16Å; S30-K32 PolarHBondContact O-N 3.17Å
31N50.8Low55.5Low159 Ų159130.5 Ų130.585%0.8566%0.657SS**  trans-70.773.5162.2-81.7-22.7000110.3F29F29-N31 PolarHBondContact O-N 2.98Å
32K46.6Very low52.9Low172 Ų172135 Ų13575%0.74867%0.672SS**  trans-98.9101.2157.4-80.8-170.7178.1-179.60108S30 I34S30-K32 PolarHBondContact O-N 3.17Å; K32-I34 VanDerWaalsContact C-N 3.34Å; K32-I34 PolarHBondContact O-N 2.79Å
33V44.1Very low50.3Low136 Ų136136.4 Ų136.482%0.82468%0.681SS**  trans-60.897167178.40000107.6S35V33-S35 VanDerWaalsContact C-N 3.27Å; V33-S35 PolarHBondContact O-N 3.16Å
34I39Very low48Very low139 Ų139141.7 Ų141.771%0.71370%0.698SS**  trans-78.386.6170.1-60.6175.1000106.8K32 R36K32-I34 VanDerWaalsContact C-N 3.34Å; K32-I34 PolarHBondContact O-N 2.79Å; I34-R36 HydrophobicContact CG2-CG 3.95Å; I34-R36 PolarHBondContact O-N 2.89Å; I34-R36 VanDerWaalsContact O-N 3.11Å
35S35.7Very low45.8Very low92 Ų92144 Ų14464%0.64371%0.712SS**  trans-7192.6161.9161.30000108.2V33 V37V33-S35 VanDerWaalsContact C-N 3.27Å; V33-S35 PolarHBondContact O-N 3.16Å; S35-V37 VanDerWaalsContact C-N 3.34Å; S35-V37 PolarHBondContact O-N 3.29Å; S35-V37 VanDerWaalsContact O-N 3.09Å
36R35.4Very low43.3Very low233 Ų233145.2 Ų145.288%0.87973%0.728SS**  trans-74.790.1164.5-80-174.3-178.6-1771.4108.8I34I34-R36 HydrophobicContact CG2-CG 3.95Å; I34-R36 PolarHBondContact O-N 2.89Å; I34-R36 VanDerWaalsContact O-N 3.11Å
37V34Very low41.2Very low119 Ų119147.1 Ų147.172%0.72175%0.751SS**  trans-120.8121152.3-175.90000106.1S35 R39S35-V37 VanDerWaalsContact C-N 3.34Å; S35-V37 PolarHBondContact O-N 3.29Å; S35-V37 VanDerWaalsContact O-N 3.09Å; V37-R39 PolarHBondContact O-N 3.07Å; V37-R39 VanDerWaalsContact O-N 3.14Å
38H32.1Very low39.9Very low194 Ų194147.4 Ų147.490%0.89876%0.755SS**  trans-52.9115.3178.1-96.3-96.7000110.3
39R30.2Very low38Very low236 Ų236144.9 Ų144.989%0.89176%0.764SS**  trans-103.9112.5165.1-155.2176-161.7171.14.8107.9V37 V41V37-R39 PolarHBondContact O-N 3.07Å; V37-R39 VanDerWaalsContact O-N 3.14Å; R39-V41 PolarHBondContact O-N 3.17Å
40V30.9Very low36Very low136 Ų136142 Ų14282%0.82477%0.774SS**  trans-59125.2174172.30000108.8
41V32.5Very low34.8Very low121 Ų121142.9 Ų142.973%0.73379%0.792SS**  trans-78.8128.3173.7172.60000108.5R39R39-V41 PolarHBondContact O-N 3.17Å
42K31.7Very low34Very low213 Ų213141.7 Ų141.793%0.92679%0.79SS**  trans-113.7126.2150.9-110.9-175.4178.9179.80108.7
43K29.9Very low33.4Very low169 Ų169142 Ų14274%0.73579%0.791SS**  trans-96.4140.3-173.8-164.5-165.2179.4-166.80108
44E31Very low33.1Very low155 Ų155143 Ų14372%0.72479%0.792SS**  140.1153.1122.6-79-174.3173.200107.7
45S29.9Very low32.9Very low90 Ų90140 Ų14063%0.62980%0.795SS**  cis-172.5152.7-15.753.80000108
46N31Very low33Very low162 Ų162140.2 Ų140.287%0.86680%0.803SS**  trans61.7132.4151.2-60.8-12.9000123.4
47A31.1Very low33.2Very low94 Ų94134.6 Ų134.678%0.77780%0.796SS**  trans-83.1-168.8179.800000113.2
48P46.8Very low33.6Very low122 Ų122138 Ų13879%0.79280%0.802SS**  cis-140.6-178.7-4.437.6-15.8000116.9
49A30.9Very low34.3Very low105 Ų105134.8 Ų134.887%0.86880%0.796SS**  trans86.1125.3151.700000121
50G27.4Very low35Very low82 Ų82126.8 Ų126.885%0.84578%0.78SS**  trans132.4103.9149.600000117
51G29Very low36.2Very low72 Ų72127.8 Ų127.874%0.74278%0.781SS**  trans68.4108.7133.700000122.2
52V34Very low37.1Very low133 Ų133131 Ų13181%0.80679%0.788SS**  59.2123.1127.3-172.50000121
53K34.5Very low38.2Very low178 Ų178130.8 Ų130.877%0.77478%0.781SS**  trans79.1128.5149.7-82.3174.6178.9-175.20121.8
54D38.4Very low39.7Very low158 Ų158125.5 Ų125.585%0.84576%0.761SS**  trans45.6117.7141-59-32.6000120.2
55G34.9Very low40.9Very low75 Ų75121.6 Ų121.677%0.77375%0.749SS**  trans137.9101.9162.500000112.3
56A36.8Very low42Very low98 Ų98124.6 Ų124.681%0.8175%0.747SS**  trans-58.313316200000108.6F58A56-F58 PolarHBondContact O-N 2.95Å
57P40.9Very low43.7Very low114 Ų114122.4 Ų122.474%0.7473%0.731SS**  trans-71.1126.5173.410.9-0.1000108.3V59P57-V59 VanDerWaalsContact C-N 3.32Å; P57-V59 PolarHBondContact O-N 3.48Å
58F42.7Very low45.2Very low191 Ų191124.6 Ų124.684%0.83873%0.73SS**  trans-57.797.2163.2-161.6-93.6000107.3A56 A60A56-F58 PolarHBondContact O-N 2.95Å; F58-A60 PolarHBondContact O-N 3.28Å
59V44.9Very low46.2Very low127 Ų127124.4 Ų124.477%0.7772%0.718SS**  trans-69.5109.9163.7-179.30000104P57 D61P57-V59 VanDerWaalsContact C-N 3.32Å; P57-V59 PolarHBondContact O-N 3.48Å; V59-D61 PolarHBondContact O-N 3.17Å
60A45.7Very low47.7Very low67 Ų67124.8 Ų124.855%0.55470%0.702SS**  trans-49126.7171.300000108.1F58 E62F58-A60 PolarHBondContact O-N 3.28Å; A60-E62 VanDerWaalsContact C-N 3.33Å; A60-E62 PolarHBondContact O-N 2.93Å
61D55.2Low49.7Very low158 Ų158125.3 Ų125.385%0.84569%0.689SS**  trans-50.6103.5167-81.6-36.3000107.2V59 W63V59-D61 PolarHBondContact O-N 3.17Å; D61-W63 PolarHBondContact O-N 2.92Å
62E53Low51.7Low188 Ų188128.7 Ų128.788%0.87969%0.685SS**  trans-70.789.5177.2-158.6173.1-151.600105.1A60 N64A60-E62 VanDerWaalsContact C-N 3.33Å; A60-E62 PolarHBondContact O-N 2.93Å; E62-N64 PolarHBondContact O-N 3.38Å
63W55.1Low53.5Low208 Ų208129.9 Ų129.979%0.78868%0.676SS**  trans-50.7108.6-176.318077.1000109.4D61 P65D61-W63 PolarHBondContact O-N 2.92Å; W63-P65 HydrophobicContact CE3-CB 4.21Å; W63-P65 HydrophobicContact CE3-CG 3.81Å; W63-P65 HydrophobicContact CH2-CB 3.68Å; W63-P65 HydrophobicContact CH2-CG 4.13Å; W63-P65 HydrophobicContact CZ2-CB 4.43Å; W63-P65 HydrophobicContact CZ3-CB 3.56Å; W63-P65 HydrophobicContact CZ3-CG 3.46Å; W63-P65 VanDerWaalsContact CZ3-CG 3.46Å; W63-P65 VanDerWaalsContact O-CD 3.31Å; W63-P65 WeakPolarHBondContact O-CD 3.17Å
64N60.8Low55.1Low58 Ų58124.8 Ų124.831%0.3166%0.658SS.*  trans-87.4109.6178179.610.4000108E62 W66 E67E62-N64 PolarHBondContact O-N 3.38Å; N64-W66 PolarHBondContact O-N 3.49Å; N64-W66 PolarHBondContact OD1-N 3.08Å; N64-E67 HydrophobicContact CB-CB 4.12Å; N64-E67 PolarHBondContact O-N 3.47Å
65P55.4Low56.9Low73 Ų73119.8 Ų119.847%0.47464%0.635SS.*THydrogen-bonded Turntrans-63.1-11.9-176.8-13.425000113.7W63W63-P65 HydrophobicContact CE3-CB 4.21Å; W63-P65 HydrophobicContact CE3-CG 3.81Å; W63-P65 HydrophobicContact CH2-CB 3.68Å; W63-P65 HydrophobicContact CH2-CG 4.13Å; W63-P65 HydrophobicContact CZ2-CB 4.43Å; W63-P65 HydrophobicContact CZ3-CB 3.56Å; W63-P65 HydrophobicContact CZ3-CG 3.46Å; W63-P65 VanDerWaalsContact CZ3-CG 3.46Å; W63-P65 VanDerWaalsContact O-CD 3.31Å; W63-P65 WeakPolarHBondContact O-CD 3.17Å
66W52.6Low58.8Low154 Ų154118.3 Ų118.358%0.58362%0.615SS**THydrogen-bonded Turntrans-115.26.9-172.2-49.695.3000112.5N64 D68 E69 E70N64-W66 PolarHBondContact O-N 3.49Å; N64-W66 PolarHBondContact OD1-N 3.08Å; W66-D68 VanDerWaalsContact C-N 3.3Å; W66-D68 PolarHBondContact O-N 3.36Å; W66-E69 VanDerWaalsContact CE3-OE2 3.27Å; W66-E69 PolarHBondContact O-N 2.67Å; W66-E70 WeakPolarHBondContact O-CB 3.31Å; W66-E70 PolarHBondContact O-N 2.51Å
67E67.2Low60.5Low115 Ų115116.2 Ų116.254%0.53759%0.59SS.*Hα-helixtrans-60.5-41.2-177.3-158.3169.3-165.700111.4N64 E70 V71N64-E67 HydrophobicContact CB-CB 4.12Å; N64-E67 PolarHBondContact O-N 3.47Å; E67-E70 PolarHBondContact O-N 3.4Å; E67-V71 WeakPolarHBondContact O-CB 3.49Å; E67-V71 WeakPolarHBondContact O-CG2 3.33Å; E67-V71 PolarHBondContact O-N 2.82Å
68D63.7Low62.1Low140 Ų140114.6 Ų114.675%0.74958%0.576SS**Hα-helixtrans-66.2-40.9177.2-68.6-33.5000112.1W66 E72W66-D68 VanDerWaalsContact C-N 3.3Å; W66-D68 PolarHBondContact O-N 3.36Å; D68-E72 VanDerWaalsContact O-CB 3.29Å; D68-E72 WeakPolarHBondContact O-CB 3.14Å; D68-E72 PolarHBondContact O-N 2.83Å
69E66.3Low63.9Low118 Ų118112.6 Ų112.655%0.55157%0.566SS**Hα-helixtrans-68.4-37.5176.6-71.1-169.6-176.400112W66 E72 Y73W66-E69 VanDerWaalsContact CE3-OE2 3.27Å; W66-E69 PolarHBondContact O-N 2.67Å; E69-E72 PolarHBondContact O-N 3.29Å; E69-Y73 VanDerWaalsContact O-CB 3.23Å; E69-Y73 WeakPolarHBondContact O-CB 3.25Å; E69-Y73 PolarHBondContact O-N 2.89Å
70E63.4Low65.3Low113 Ų113113.9 Ų113.953%0.52856%0.562SS.*Hα-helixtrans-71.6-38.3178.2-163.2171.4-166.100111.3W66 E67 N74W66-E70 WeakPolarHBondContact O-CB 3.31Å; W66-E70 PolarHBondContact O-N 2.51Å; E67-E70 PolarHBondContact O-N 3.4Å; E70-N74 WeakPolarHBondContact O-CB 3.47Å; E70-N74 VanDerWaalsContact O-CG 3.24Å; E70-N74 PolarHBondContact O-N 2.85Å; E70-N74 PolarHBondContact O-ND2 3.11Å
71V69.9Low66.8Low93 Ų93117.9 Ų117.956%0.56456%0.562SS**Hα-helixtrans-64-43171.4169.90000110.7E67 S75E67-V71 WeakPolarHBondContact O-CB 3.49Å; E67-V71 WeakPolarHBondContact O-CG2 3.33Å; E67-V71 PolarHBondContact O-N 2.82Å; V71-S75 WeakPolarHBondContact O-CB 3.15Å; V71-S75 PolarHBondContact O-N 3.18Å
72E70.9Confident67.9Low144 Ų144117.1 Ų117.167%0.67355%0.552SS**Hα-helixtrans-68.9-42179-166.1167.5-155.300112D68 E69 S75 A76D68-E72 VanDerWaalsContact O-CB 3.29Å; D68-E72 WeakPolarHBondContact O-CB 3.14Å; D68-E72 PolarHBondContact O-N 2.83Å; E69-E72 PolarHBondContact O-N 3.29Å; E72-S75 WeakPolarHBondContact O-CB 3.36Å; E72-S75 PolarHBondContact O-N 3.06Å; E72-A76 VanDerWaalsContact O-CB 3.32Å; E72-A76 WeakPolarHBondContact O-CB 3.02Å; E72-A76 PolarHBondContact O-N 2.89Å
73Y70.6Confident69.1Low157 Ų157110.8 Ų110.862%0.61653%0.531SS*.Hα-helixtrans-60.8-47.5173.4-179.6-95.1000111.8E69 S75 A76 L77E69-Y73 VanDerWaalsContact O-CB 3.23Å; E69-Y73 WeakPolarHBondContact O-CB 3.25Å; E69-Y73 PolarHBondContact O-N 2.89Å; Y73-S75 VanDerWaalsContact C-N 3.34Å; Y73-S75 PolarHBondContact O-N 2.64Å; Y73-A76 PolarHBondContact O-N 2.77Å; Y73-L77 WeakPolarHBondContact O-CB 3.25Å; Y73-L77 PolarHBondContact O-N 2.81Å
74N69.4Low70.1Confident72 Ų72107 Ų10739%0.38552%0.521SS..Hα-helixtrans-66.5-36.3177.7-76.9-42.9000112.1E70 L77 N78E70-N74 WeakPolarHBondContact O-CB 3.47Å; E70-N74 VanDerWaalsContact O-CG 3.24Å; E70-N74 PolarHBondContact O-N 2.85Å; E70-N74 PolarHBondContact O-ND2 3.11Å; N74-L77 PolarHBondContact O-N 2.7Å; N74-N78 VanDerWaalsContact O-CB 3.28Å; N74-N78 WeakPolarHBondContact O-CB 3.21Å; N74-N78 VanDerWaalsContact O-CG 3.28Å; N74-N78 PolarHBondContact O-N 3.5Å; N74-N78 PolarHBondContact O-ND2 2.02Å
75S75.1Confident70.8Confident52 Ų52111.9 Ų111.936%0.36454%0.539SS..Hα-helixtrans-64-45.4173-179.20000111.5V71 E72 Y73 N78 K79V71-S75 WeakPolarHBondContact O-CB 3.15Å; V71-S75 PolarHBondContact O-N 3.18Å; E72-S75 WeakPolarHBondContact O-CB 3.36Å; E72-S75 PolarHBondContact O-N 3.06Å; Y73-S75 VanDerWaalsContact C-N 3.34Å; Y73-S75 PolarHBondContact O-N 2.64Å; S75-N78 PolarHBondContact O-N 3.48Å; S75-K79 WeakPolarHBondContact O-CB 3.26Å; S75-K79 WeakPolarHBondContact O-CG 3.22Å; S75-K79 PolarHBondContact O-N 2.9Å
76A74.9Confident71.8Confident44 Ų44114.6 Ų114.636%0.36455%0.545SS..Hα-helixtrans-64.3-41.4175.800000112E72 Y73 K79 K80E72-A76 VanDerWaalsContact O-CB 3.32Å; E72-A76 WeakPolarHBondContact O-CB 3.02Å; E72-A76 PolarHBondContact O-N 2.89Å; Y73-A76 PolarHBondContact O-N 2.77Å; A76-K79 PolarHBondContact O-N 3.23Å; A76-K80 WeakPolarHBondContact O-CG 3.22Å; A76-K80 PolarHBondContact O-N 2.78Å
77L73.9Confident72.8Confident55 Ų55114.1 Ų114.129%0.28855%0.545SS..Hα-helixtrans-63.8-42.2175.4-165.677.5000111.4Y73 N74 K80 R81Y73-L77 WeakPolarHBondContact O-CB 3.25Å; Y73-L77 PolarHBondContact O-N 2.81Å; N74-L77 PolarHBondContact O-N 2.7Å; L77-K80 PolarHBondContact O-N 2.99Å; L77-R81 WeakPolarHBondContact O-CB 3.41Å; L77-R81 WeakPolarHBondContact O-CG 3.45Å; L77-R81 PolarHBondContact O-N 2.66Å
78N74.6Confident72.8Confident80 Ų80113.2 Ų113.243%0.42854%0.542SS..Hα-helixtrans-67.6-37.6176.2-79.3-29.1000112.4N74 S75 R81 K82N74-N78 VanDerWaalsContact O-CB 3.28Å; N74-N78 WeakPolarHBondContact O-CB 3.21Å; N74-N78 VanDerWaalsContact O-CG 3.28Å; N74-N78 PolarHBondContact O-N 3.5Å; N74-N78 PolarHBondContact O-ND2 2.02Å; S75-N78 PolarHBondContact O-N 3.48Å; N78-R81 PolarHBondContact O-N 3.35Å; N78-K82 WeakPolarHBondContact O-CB 3.42Å; N78-K82 WeakPolarHBondContact O-CG 3.08Å; N78-K82 PolarHBondContact O-N 3.45Å
79K78.8Confident73Confident148 Ų148108.9 Ų108.964%0.64353%0.525SS*.Hα-helixtrans-61.7-45.6171.1-77.8176.2-178.3173.70111.2S75 A76 R81 K82 A83S75-K79 WeakPolarHBondContact O-CB 3.26Å; S75-K79 WeakPolarHBondContact O-CG 3.22Å; S75-K79 PolarHBondContact O-N 2.9Å; A76-K79 PolarHBondContact O-N 3.23Å; K79-R81 PolarHBondContact O-N 2.69Å; K79-K82 PolarHBondContact O-N 3.5Å; K79-A83 WeakPolarHBondContact O-CB 3.22Å; K79-A83 PolarHBondContact O-N 2.85Å
80K75.9Confident73.2Confident155 Ų155112.1 Ų112.167%0.67453%0.532SS*.Hα-helixtrans-61.2-43.2175-74.6-179.1-179178.60112.2A76 L77 A83 F84A76-K80 WeakPolarHBondContact O-CG 3.22Å; A76-K80 PolarHBondContact O-N 2.78Å; L77-K80 PolarHBondContact O-N 2.99Å; K80-A83 PolarHBondContact O-N 2.86Å; K80-F84 WeakPolarHBondContact O-CB 3.15Å; K80-F84 PolarHBondContact O-N 2.03Å
81R76.3Confident73.2Confident150 Ų150109.6 Ų109.657%0.56652%0.522SS*.Hα-helixtrans-63.1-42175.1-75.9174.2174.4176.5-1.2112.5L77 N78 K79 F84 K85L77-R81 WeakPolarHBondContact O-CB 3.41Å; L77-R81 WeakPolarHBondContact O-CG 3.45Å; L77-R81 PolarHBondContact O-N 2.66Å; N78-R81 PolarHBondContact O-N 3.35Å; K79-R81 PolarHBondContact O-N 2.69Å; R81-F84 PolarHBondContact O-N 3.04Å; R81-K85 WeakPolarHBondContact O-CG 3.27Å; R81-K85 PolarHBondContact O-N 3.39Å
82K78.9Confident72.7Confident143 Ų143110 Ų11062%0.62252%0.52SS*.Hα-helixtrans-65.8-43.7175.8-76.4179.4-179.2-1800111.5N78 K79 F84 K85 Q86N78-K82 WeakPolarHBondContact O-CB 3.42Å; N78-K82 WeakPolarHBondContact O-CG 3.08Å; N78-K82 PolarHBondContact O-N 3.45Å; K79-K82 PolarHBondContact O-N 3.5Å; K82-F84 VanDerWaalsContact C-N 3.34Å; K82-F84 PolarHBondContact O-N 3.14Å; K82-K85 PolarHBondContact O-N 3.31Å; K82-Q86 WeakPolarHBondContact O-CB 3.38Å; K82-Q86 WeakPolarHBondContact O-CG 3.29Å; K82-Q86 PolarHBondContact O-N 2.91Å
83A77Confident72.2Confident55 Ų55113.7 Ų113.746%0.45553%0.528SS..Hα-helixtrans-61.7-41.8175.300000111.7K79 K80 Q86 Y87K79-A83 WeakPolarHBondContact O-CB 3.22Å; K79-A83 PolarHBondContact O-N 2.85Å; K80-A83 PolarHBondContact O-N 2.86Å; A83-Q86 PolarHBondContact O-N 3.26Å; A83-Y87 WeakPolarHBondContact O-CB 3.38Å; A83-Y87 PolarHBondContact O-N 2.79Å
84F76.3Confident71.5Confident128 Ų128110.5 Ų110.556%0.56153%0.529SS*.Hα-helixtrans-64.7-42.2174.8-173-100.1000112.4K80 R81 K82 Q86 Y87 M88K80-F84 WeakPolarHBondContact O-CB 3.15Å; K80-F84 PolarHBondContact O-N 2.03Å; R81-F84 PolarHBondContact O-N 3.04Å; K82-F84 VanDerWaalsContact C-N 3.34Å; K82-F84 PolarHBondContact O-N 3.14Å; F84-Q86 PolarHBondContact O-N 3.49Å; F84-Y87 PolarHBondContact O-N 2.85Å; F84-M88 HydrophobicContact CD1-CG 4.14Å; F84-M88 HydrophobicContact CE1-CG 3.78Å; F84-M88 HydrophobicContact CE1-SD 4.48Å; F84-M88 HydrophobicContact CZ-CG 4.01Å; F84-M88 HydrophobicContact CZ-SD 4.21Å; F84-M88 WeakPolarHBondContact O-CB 3.02Å; F84-M88 WeakPolarHBondContact O-CG 3.49Å; F84-M88 PolarHBondContact O-N 2.88Å
85K75.1Confident70.9Confident161 Ų161112.9 Ų112.970%0.754%0.536SS*.Hα-helixtrans-61.3-41.7172.9-78.8-175.5177.6-174.10112.3R81 K82 M88 A89R81-K85 WeakPolarHBondContact O-CG 3.27Å; R81-K85 PolarHBondContact O-N 3.39Å; K82-K85 PolarHBondContact O-N 3.31Å; K85-M88 PolarHBondContact O-N 3.22Å; K85-A89 WeakPolarHBondContact O-CB 3.4Å; K85-A89 PolarHBondContact O-N 2.86Å
86Q76.3Confident70.3Confident129 Ų129114.9 Ų114.960%0.60355%0.548SS*.Hα-helixtrans-67.4-38176.6-73.6173.8-8.100112K82 A83 F84 A89 R90K82-Q86 WeakPolarHBondContact O-CB 3.38Å; K82-Q86 WeakPolarHBondContact O-CG 3.29Å; K82-Q86 PolarHBondContact O-N 2.91Å; A83-Q86 PolarHBondContact O-N 3.26Å; F84-Q86 PolarHBondContact O-N 3.49Å; Q86-A89 PolarHBondContact O-N 3.27Å; Q86-R90 WeakPolarHBondContact O-CG 3.37Å; Q86-R90 PolarHBondContact O-N 2.89Å
87Y74.2Confident69.9Low145 Ų145121.1 Ų121.157%0.56957%0.567SS**Hα-helixtrans-63.5-47173.1178-105.4000111.5A83 F84 A89 R90 I91A83-Y87 WeakPolarHBondContact O-CB 3.38Å; A83-Y87 PolarHBondContact O-N 2.79Å; F84-Y87 PolarHBondContact O-N 2.85Å; Y87-A89 VanDerWaalsContact C-N 3.35Å; Y87-A89 PolarHBondContact O-N 3.35Å; Y87-R90 WeakPolarHBondContact O-CB 3.27Å; Y87-R90 PolarHBondContact O-N 3.24Å; Y87-I91 HydrophobicContact CD1-CD1 3.82Å; Y87-I91 HydrophobicContact CE1-CD1 3.31Å; Y87-I91 HydrophobicContact CE1-CG1 4.38Å; Y87-I91 HydrophobicContact CE2-CD1 4.29Å; Y87-I91 HydrophobicContact CG-CD1 4.5Å; Y87-I91 WeakPolarHBondContact O-CG1 3.07Å; Y87-I91 PolarHBondContact O-N 2.9Å
88M67.8Low70.3Confident96 Ų96124.3 Ų124.347%0.47358%0.575SS.*Hα-helixtrans-61.5-40.7174.1-72.7-64.8-76.600112.2F84 K85 R90 I91 D92F84-M88 HydrophobicContact CD1-CG 4.14Å; F84-M88 HydrophobicContact CE1-CG 3.78Å; F84-M88 HydrophobicContact CE1-SD 4.48Å; F84-M88 HydrophobicContact CZ-CG 4.01Å; F84-M88 HydrophobicContact CZ-SD 4.21Å; F84-M88 WeakPolarHBondContact O-CB 3.02Å; F84-M88 WeakPolarHBondContact O-CG 3.49Å; F84-M88 PolarHBondContact O-N 2.88Å; K85-M88 PolarHBondContact O-N 3.22Å; M88-R90 VanDerWaalsContact C-N 3.34Å; M88-R90 PolarHBondContact O-N 3.36Å; M88-I91 PolarHBondContact O-N 2.98Å; M88-I91 HydrophobicContact SD-CD1 4.46Å; M88-D92 PolarHBondContact O-N 2.85Å
89A68Low71.1Confident48 Ų48122.6 Ų122.640%0.39756%0.563SS.*Hα-helixtrans-66.6-33.1175.400000112.8K85 Q86 Y87 R93K85-A89 WeakPolarHBondContact O-CB 3.4Å; K85-A89 PolarHBondContact O-N 2.86Å; Q86-A89 PolarHBondContact O-N 3.27Å; Y87-A89 VanDerWaalsContact C-N 3.35Å; Y87-A89 PolarHBondContact O-N 3.35Å; A89-R93 WeakPolarHBondContact O-CB 3.37Å; A89-R93 VanDerWaalsContact O-CG 3.26Å; A89-R93 WeakPolarHBondContact O-CG 3.28Å; A89-R93 PolarHBondContact O-N 3.21Å
90R69.4Low71.7Confident187 Ų187121.2 Ų121.271%0.70656%0.556SS**Hα-helixtrans-67.9-41.1171.4-78.3179179.11800.2111.6Q86 Y87 M88 D92 R93 S94Q86-R90 WeakPolarHBondContact O-CG 3.37Å; Q86-R90 PolarHBondContact O-N 2.89Å; Y87-R90 WeakPolarHBondContact O-CB 3.27Å; Y87-R90 PolarHBondContact O-N 3.24Å; M88-R90 VanDerWaalsContact C-N 3.34Å; M88-R90 PolarHBondContact O-N 3.36Å; R90-D92 VanDerWaalsContact C-N 3.34Å; R90-R93 PolarHBondContact O-N 3.07Å; R90-S94 WeakPolarHBondContact O-CB 3.18Å; R90-S94 PolarHBondContact O-N 2.92Å; R90-S94 PolarHBondContact O-OG 2.97Å
91I64.8Low72.7Confident60 Ų60113.8 Ų113.831%0.30852%0.524SS..Hα-helixtrans-61.1-44.6173.3-70.2173.1000110.4Y87 M88 R93 S94 K95Y87-I91 HydrophobicContact CD1-CD1 3.82Å; Y87-I91 HydrophobicContact CE1-CD1 3.31Å; Y87-I91 HydrophobicContact CE1-CG1 4.38Å; Y87-I91 HydrophobicContact CE2-CD1 4.29Å; Y87-I91 HydrophobicContact CG-CD1 4.5Å; Y87-I91 WeakPolarHBondContact O-CG1 3.07Å; Y87-I91 PolarHBondContact O-N 2.9Å; M88-I91 PolarHBondContact O-N 2.98Å; M88-I91 HydrophobicContact SD-CD1 4.46Å; I91-R93 PolarHBondContact O-N 2.93Å; I91-S94 WeakPolarHBondContact CA-OG 3.44Å; I91-S94 CarbonylContact O-C 3.56Å; I91-S94 WeakPolarHBondContact O-CA 3.37Å; I91-S94 PolarHBondContact O-N 3.43Å; I91-S94 PolarHBondContact O-OG 2.91Å; I91-K95 PolarHBondContact O-N 2.97Å; I91-K95 VanDerWaalsContact O-N 3.12Å
92D59.4Low73.6Confident100 Ų100106.7 Ų106.754%0.53550%0.497SS..Hα-helixtrans-66.8-36.1-179.8-131.527.7000112.4M88 R90 S94 K95M88-D92 PolarHBondContact O-N 2.85Å; R90-D92 VanDerWaalsContact C-N 3.34Å; D92-S94 VanDerWaalsContact C-N 3.25Å; D92-S94 PolarHBondContact O-N 2.87Å; D92-K95 PolarHBondContact O-N 3.05Å; D92-K95 WeakPolarHBondContact OD1-CD 3.49Å; D92-K95 WeakPolarHBondContact OD1-CE 3.46Å; D92-K95 IonicContact OD1-NZ 2.8Å; D92-K95 PolarHBondContact OD1-NZ 2.8Å
93R59.7Low74.5Confident223 Ų22399.9 Ų99.984%0.84247%0.468SS*.Hα-helixtrans-67.9-23170.7-73.7174.8-176.2-171.50.7113.6A89 R90 I91A89-R93 WeakPolarHBondContact O-CB 3.37Å; A89-R93 VanDerWaalsContact O-CG 3.26Å; A89-R93 WeakPolarHBondContact O-CG 3.28Å; A89-R93 PolarHBondContact O-N 3.21Å; R90-R93 PolarHBondContact O-N 3.07Å; I91-R93 PolarHBondContact O-N 2.93Å
94S55.6Low75.4Confident89 Ų8997.4 Ų97.462%0.62245%0.447SS*.Hα-helixtrans-89.3-8.3176.873.50000113.7R90 I91 D92R90-S94 WeakPolarHBondContact O-CB 3.18Å; R90-S94 PolarHBondContact O-N 2.92Å; R90-S94 PolarHBondContact O-OG 2.97Å; I91-S94 WeakPolarHBondContact CA-OG 3.44Å; I91-S94 CarbonylContact O-C 3.56Å; I91-S94 WeakPolarHBondContact O-CA 3.37Å; I91-S94 PolarHBondContact O-N 3.43Å; I91-S94 PolarHBondContact O-OG 2.91Å; D92-S94 VanDerWaalsContact C-N 3.25Å; D92-S94 PolarHBondContact O-N 2.87Å
95K57.6Low76.3Confident122 Ų12291.4 Ų91.453%0.5342%0.421SS..SBendtrans-71.6135.1172.9-73.7179-171.6158.10109.3I91 D92 K97I91-K95 PolarHBondContact O-N 2.97Å; I91-K95 VanDerWaalsContact O-N 3.12Å; D92-K95 PolarHBondContact O-N 3.05Å; D92-K95 WeakPolarHBondContact OD1-CD 3.49Å; D92-K95 WeakPolarHBondContact OD1-CE 3.46Å; D92-K95 IonicContact OD1-NZ 2.8Å; D92-K95 PolarHBondContact OD1-NZ 2.8Å; K95-K97 PolarHBondContact O-N 2.84Å
96P61.4Low77.2Confident95 Ų9585.5 Ų85.562%0.61740%0.395SS*.  trans-57135.2172.823.4-31.3000109.3R98P96-R98 WeakPolarHBondContact O-CG 3.09Å; P96-R98 PolarHBondContact O-N 3.46Å
97K67.8Low77.9Confident175 Ų17579.8 Ų79.876%0.76137%0.37SS*.  trans-59.3109.2179-166.2178.9-177.2-174.20108.4K95K95-K97 PolarHBondContact O-N 2.84Å
98R82.2Confident78.5Confident121 Ų12174.5 Ų74.546%0.45736%0.356SS..  trans-91.9136.5176.9-62-173.3-178.2-163.5-7.7109.5P96 K140 D142P96-R98 WeakPolarHBondContact O-CG 3.09Å; P96-R98 PolarHBondContact O-N 3.46Å; R98-K140 WeakPolarHBondContact CA-O 3.38Å; R98-D142 WeakPolarHBondContact CB-OD2 3.21Å; R98-D142 VanDerWaalsContact CD-OD2 3.26Å; R98-D142 WeakPolarHBondContact CD-OD2 2.96Å; R98-D142 IonicContact NH1-OD1 3.65Å
99Y90.5Very high79.7Confident45 Ų4570 Ų7018%0.17633%0.334CS..EExtended strand (participates in β ladder)trans-86.7146174.3-58.1-52.2000109.4K140 V141 D142 E432 F436Y99-K140 HydrophobicContact CD2-CB 4.28Å; Y99-K140 PolarHBondContact N-O 2.84Å; Y99-V141 HydrophobicContact CD2-CG2 4.44Å; Y99-V141 CarbonylContact O-C 3.52Å; Y99-V141 WeakPolarHBondContact O-CA 3.38Å; Y99-D142 PolarHBondContact O-N 2.72Å; Y99-E432 HydrophobicContact CD2-CG 3.94Å; Y99-E432 HydrophobicContact CE2-CG 3.71Å; Y99-F436 VanDerWaalsContact CB-CE2 3.48Å; Y99-F436 HydrophobicContact CD1-CB 3.61Å; Y99-F436 AromaticContact CD1-CD1 3.46Å; Y99-F436 HydrophobicContact CD1-CD1 3.46Å; Y99-F436 VanDerWaalsContact CD1-CD1 3.46Å; Y99-F436 AromaticContact CD1-CD2 3.84Å; Y99-F436 HydrophobicContact CD1-CD2 3.84Å; Y99-F436 HydrophobicContact CD1-CE1 4.05Å; Y99-F436 HydrophobicContact CD1-CE2 4.41Å; Y99-F436 AromaticContact CD1-CG 3.33Å; Y99-F436 HydrophobicContact CD1-CG 3.33Å; Y99-F436 HydrophobicContact CD1-CZ 4.49Å; Y99-F436 HydrophobicContact CD2-CB 4.04Å; Y99-F436 AromaticContact CD2-CD2 3.74Å; Y99-F436 HydrophobicContact CD2-CD2 3.74Å; Y99-F436 HydrophobicContact CD2-CE2 4.44Å; Y99-F436 AromaticContact CD2-CG 3.95Å; Y99-F436 HydrophobicContact CD2-CG 3.95Å; Y99-F436 HydrophobicContact CE1-CB 3.39Å; Y99-F436 HydrophobicContact CE1-CD1 4Å; Y99-F436 HydrophobicContact CE1-CD2 4.47Å; Y99-F436 AromaticContact CE1-CG 3.71Å; Y99-F436 HydrophobicContact CE1-CG 3.71Å; Y99-F436 HydrophobicContact CE2-CB 3.81Å; Y99-F436 HydrophobicContact CE2-CD2 4.35Å; Y99-F436 HydrophobicContact CE2-CG 4.24Å; Y99-F436 HydrophobicContact CG-CB 3.93Å; Y99-F436 AromaticContact CG-CD1 3.92Å; Y99-F436 HydrophobicContact CG-CD1 3.92Å; Y99-F436 AromaticContact CG-CD2 3.44Å; Y99-F436 HydrophobicContact CG-CD2 3.44Å; Y99-F436 VanDerWaalsContact CG-CD2 3.44Å; Y99-F436 HydrophobicContact CG-CE1 4.3Å; Y99-F436 AromaticContact CG-CE2 3.88Å; Y99-F436 HydrophobicContact CG-CE2 3.88Å; Y99-F436 AromaticContact CG-CG 3.47Å; Y99-F436 HydrophobicContact CG-CG 3.47Å; Y99-F436 VanDerWaalsContact CG-CG 3.47Å; Y99-F436 HydrophobicContact CG-CZ 4.28Å; Y99-F436 VanDerWaalsContact CZ-CB 3.48Å
100K92.4Very high81Confident118 Ų11867.7 Ų67.751%0.51332%0.315SS..EExtended strand (participates in β ladder)trans-119.6123.9-178.4-72.1-169.3172.3-163.30108.7D142 M160K100-D142 WeakPolarHBondContact CA-O 3.24Å; K100-D142 HydrophobicContact CG-CB 4.47Å; K100-M160 VanDerWaalsContact C-SD 3.55Å; K100-M160 HydrophobicContact CB-CB 4.46Å; K100-M160 HydrophobicContact CB-CE 3.99Å; K100-M160 HydrophobicContact CB-CG 3.87Å; K100-M160 HydrophobicContact CB-SD 3.64Å; K100-M160 HydrophobicContact CD-CE 4.25Å; K100-M160 HydrophobicContact CG-CE 4.39Å
101V95.8Very high82.2Confident0 Ų060.1 Ų60.10%029%0.289CS..EExtended strand (participates in β ladder)trans-131127.7-179.4176.40000109.6V141 D142 F143 S144 M160 V164 I431 F435 F436V101-V141 HydrophobicContact CB-CG1 3.96Å; V101-V141 HydrophobicContact CG2-CG1 3.63Å; V101-D142 PolarHBondContact N-O 3.42Å; V101-F143 HydrophobicContact CB-CD1 3.72Å; V101-F143 HydrophobicContact CB-CE1 3.76Å; V101-F143 HydrophobicContact CG1-CD1 3.9Å; V101-F143 HydrophobicContact CG1-CE1 3.79Å; V101-F143 HydrophobicContact CG2-CE1 4.37Å; V101-F143 VanDerWaalsContact O-CA 3.31Å; V101-F143 WeakPolarHBondContact O-CA 3.18Å; V101-S144 PolarHBondContact O-N 2.97Å; V101-M160 PolarHBondContact N-SD 3.38Å; V101-M160 VanDerWaalsContact N-SD 3.38Å; V101-V164 HydrophobicContact CG1-CG2 3.61Å; V101-I431 HydrophobicContact CG2-CG2 3.81Å; V101-F435 HydrophobicContact CG2-CD2 4.31Å; V101-F436 HydrophobicContact CG2-CE2 3.68Å; V101-F436 HydrophobicContact CG2-CZ 3.66Å
102Q95.8Very high83.8Confident0 Ų057.2 Ų57.20%027%0.274CS..EExtended strand (participates in β ladder)trans-96.6140.9177.1-153.5174.753.300110.2S144 Y146 P157 M160 S162 L163 V164Q102-S144 CarbonylContact C-O 3.55Å; Q102-S144 WeakPolarHBondContact CA-O 3.41Å; Q102-Y146 HydrophobicContact CG-CD2 3.82Å; Q102-Y146 HydrophobicContact CG-CE2 3.54Å; Q102-P157 PolarHBondContact NE2-O 2.87Å; Q102-P157 PolarHBondContact OE1-O 2.94Å; Q102-M160 HydrophobicContact CB-CB 4.42Å; Q102-M160 HydrophobicContact CB-SD 3.92Å; Q102-M160 PolarHBondContact N-SD 2.96Å; Q102-S162 PolarHBondContact N-O 3.05Å; Q102-L163 HydrophobicContact CB-CD1 4.2Å; Q102-L163 CarbonylContact O-C 3.6Å; Q102-L163 WeakPolarHBondContact O-CA 3.44Å; Q102-V164 PolarHBondContact O-N 3.09Å
103I97.3Very high85.6Confident0 Ų052.5 Ų52.50%025%0.249CC..EExtended strand (participates in β ladder)trans-122.9124.2-179.4-51.3-177.6000109L113 L118 F143 S144 F145 Y146 V164 I166I103-L113 HydrophobicContact CD1-CD2 4.36Å; I103-L113 HydrophobicContact CG2-CD2 4.4Å; I103-L118 HydrophobicContact CD1-CD1 4.05Å; I103-F143 HydrophobicContact CD1-CB 4.32Å; I103-F143 HydrophobicContact CD1-CD1 3.69Å; I103-F143 HydrophobicContact CD1-CE1 4.29Å; I103-F143 HydrophobicContact CD1-CG 4.22Å; I103-F143 HydrophobicContact CG1-CD1 4.06Å; I103-S144 PolarHBondContact N-O 2.54Å; I103-F145 HydrophobicContact CB-CB 4.38Å; I103-F145 HydrophobicContact CB-CD2 3.79Å; I103-F145 HydrophobicContact CG2-CD2 3.56Å; I103-F145 HydrophobicContact CG2-CE2 4.01Å; I103-F145 WeakPolarHBondContact O-CA 3.45Å; I103-Y146 PolarHBondContact O-N 3.45Å; I103-V164 CarbonylContact C-O 3.45Å; I103-V164 WeakPolarHBondContact CA-O 3.33Å; I103-V164 HydrophobicContact CB-CB 4.38Å; I103-V164 HydrophobicContact CG1-CB 4.05Å; I103-V164 HydrophobicContact CG1-CG2 4.26Å; I103-V164 HydrophobicContact CG2-CB 4.2Å; I103-V164 HydrophobicContact CG2-CG1 4.39Å; I103-I166 HydrophobicContact CG2-CD1 3.61Å; I103-I166 HydrophobicContact CG2-CG1 3.97Å
104W96.5Very high87.4Confident3 Ų341.9 Ų41.91%0.01121%0.209CC..EExtended strand (participates in β ladder)trans-108.5110.4176.3-61.2-10.4000110.8K106 V156 L158 L163 V164 L165 I166 W181 V185 L188W104-K106 PolarHBondContact O-N 3.47Å; W104-V156 HydrophobicContact CD2-CG1 4.45Å; W104-V156 HydrophobicContact CZ2-CB 4.1Å; W104-V156 HydrophobicContact CZ2-CG1 4.11Å; W104-L158 HydrophobicContact CH2-CD1 4.44Å; W104-L158 HydrophobicContact CZ2-CD1 3.9Å; W104-L163 HydrophobicContact CD2-CD1 3.52Å; W104-L163 HydrophobicContact CD2-CD2 4.24Å; W104-L163 HydrophobicContact CD2-CG 4.47Å; W104-L163 VanDerWaalsContact CE2-CD1 3.46Å; W104-L163 HydrophobicContact CE3-CD1 4.01Å; W104-L163 HydrophobicContact CE3-CD2 3.85Å; W104-L163 HydrophobicContact CG-CD1 3.8Å; W104-L163 HydrophobicContact CH2-CD1 4.39Å; W104-L163 HydrophobicContact CH2-CD2 3.96Å; W104-L163 HydrophobicContact CZ2-CD1 3.95Å; W104-L163 HydrophobicContact CZ2-CD2 4.32Å; W104-L163 HydrophobicContact CZ3-CD1 4.41Å; W104-L163 HydrophobicContact CZ3-CD2 3.7Å; W104-V164 PolarHBondContact N-O 3.25Å; W104-L165 HydrophobicContact CB-CD2 4.11Å; W104-L165 HydrophobicContact CD2-CD2 4.29Å; W104-L165 HydrophobicContact CE3-CD2 3.58Å; W104-L165 HydrophobicContact CZ3-CD2 4.36Å; W104-I166 PolarHBondContact O-N 3.25Å; W104-W181 HydrophobicContact CD2-CZ3 4.35Å; W104-W181 AromaticContact CE3-CE3 3.86Å; W104-W181 HydrophobicContact CE3-CE3 3.86Å; W104-W181 AromaticContact CE3-CZ3 3.48Å; W104-W181 HydrophobicContact CE3-CZ3 3.48Å; W104-W181 VanDerWaalsContact CE3-CZ3 3.48Å; W104-W181 HydrophobicContact CZ3-CE3 4.2Å; W104-W181 AromaticContact CZ3-CZ3 3.85Å; W104-W181 HydrophobicContact CZ3-CZ3 3.85Å; W104-V185 HydrophobicContact CE3-CG2 4.46Å; W104-V185 HydrophobicContact CZ3-CG2 3.85Å; W104-L188 HydrophobicContact CH2-CD1 3.99Å
105G95.1Very high89.3Confident2 Ų240.1 Ų40.12%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-86.398.4-177.400000113.2Y146 T147G105-Y146 PolarHBondContact N-O 2.76Å; G105-T147 PolarHBondContact O-OG1 3Å
106K93.3Very high91.1Very high37 Ų3734.5 Ų34.516%0.16117%0.166CC..  trans-112.73.6176.2-58.3-52.5-48.4-178.20114.4W104 G148 V151 I166 Y177 W181W104-K106 PolarHBondContact O-N 3.47Å; K106-G148 PolarHBondContact NZ-O 3.31Å; K106-V151 HydrophobicContact CD-CB 4.47Å; K106-V151 HydrophobicContact CD-CG1 4.14Å; K106-V151 PolarHBondContact NZ-O 3.3Å; K106-I166 CarbonylContact C-O 3.56Å; K106-I166 WeakPolarHBondContact CA-O 3.42Å; K106-I166 WeakPolarHBondContact CB-O 3.37Å; K106-I166 PolarHBondContact N-O 3.39Å; K106-Y177 HydrophobicContact CB-CE1 4.33Å; K106-Y177 WeakPolarHBondContact CE-OH 3.26Å; K106-W181 HydrophobicContact CD-CH2 4.14Å; K106-W181 HydrophobicContact CD-CZ2 3.54Å; K106-W181 HydrophobicContact CG-CD2 4.11Å; K106-W181 HydrophobicContact CG-CH2 4.43Å; K106-W181 HydrophobicContact CG-CZ2 3.82Å
107A91.8Very high92.8Very high9 Ų930.1 Ų30.17%0.07414%0.138CC..SBendtrans-126.1152.6170.900000110.4I109 G110 I166 L167 N168A107-I109 HydrophobicContact CB-CG2 4.41Å; A107-I109 PolarHBondContact O-N 3.24Å; A107-I109 VanDerWaalsContact O-N 3.11Å; A107-G110 PolarHBondContact O-N 3.24Å; A107-I166 HydrophobicContact CB-CG2 4.05Å; A107-I166 PolarHBondContact N-O 3.01Å; A107-L167 WeakPolarHBondContact CB-O 3.46Å; A107-N168 HydrophobicContact CB-CB 3.94Å
108A85.8Confident94.1Very high34 Ų3421.9 Ų21.928%0.28110%0.102SC..THydrogen-bonded Turntrans-54-33.1177.900000113.1G110 L111 T249 Y250A108-G110 PolarHBondContact O-N 3.23Å; A108-G110 VanDerWaalsContact O-N 3.09Å; A108-L111 PolarHBondContact O-N 3.15Å; A108-L111 VanDerWaalsContact O-N 3.09Å; A108-T249 PolarHBondContact O-OG1 3.26Å; A108-Y250 HydrophobicContact CB-CD1 4.33Å; A108-Y250 HydrophobicContact CB-CG 4.4Å
109I93.6Very high94.7Very high1 Ų120 Ų201%0.00510%0.098CC..Hα-helixtrans-62.9-17.6178.7-140.971.2000113.6A107 L111 Y112 L113 I166 V200 I229 L245 Y340A107-I109 HydrophobicContact CB-CG2 4.41Å; A107-I109 PolarHBondContact O-N 3.24Å; A107-I109 VanDerWaalsContact O-N 3.11Å; I109-L111 VanDerWaalsContact C-N 3.27Å; I109-L111 PolarHBondContact O-N 3.1Å; I109-Y112 WeakPolarHBondContact O-CB 3.42Å; I109-Y112 PolarHBondContact O-N 3.24Å; I109-L113 PolarHBondContact O-N 3.4Å; I109-I166 HydrophobicContact CG2-CG2 3.53Å; I109-V200 HydrophobicContact CG2-CG1 4.33Å; I109-I229 HydrophobicContact CB-CD1 3.99Å; I109-I229 HydrophobicContact CD1-CD1 4.43Å; I109-I229 HydrophobicContact CG1-CD1 3.58Å; I109-I229 HydrophobicContact CG2-CD1 3.66Å; I109-L245 HydrophobicContact CD1-CD1 4.31Å; I109-L245 WeakPolarHBondContact CD1-O 3.38Å; I109-Y340 HydrophobicContact CD1-CE1 4.41Å
110G95.2Very high95Very high0 Ų018.2 Ų18.20%09%0.093CC..Hα-helixtrans-64.5-33.1174.800000113.3A107 A108 Y112 L113 W114A107-G110 PolarHBondContact O-N 3.24Å; A108-G110 PolarHBondContact O-N 3.23Å; A108-G110 VanDerWaalsContact O-N 3.09Å; G110-Y112 VanDerWaalsContact C-N 3.31Å; G110-L113 PolarHBondContact O-N 2.71Å; G110-W114 WeakPolarHBondContact O-CB 3.1Å; G110-W114 PolarHBondContact O-N 3.46Å
111L95.3Very high95Very high28 Ų2816.4 Ų16.415%0.1479%0.093CC..Hα-helixtrans-69.3-32172.4-67.3175000111.6A108 I109 E115 L122 F145 T147 T249A108-L111 PolarHBondContact O-N 3.15Å; A108-L111 VanDerWaalsContact O-N 3.09Å; I109-L111 VanDerWaalsContact C-N 3.27Å; I109-L111 PolarHBondContact O-N 3.1Å; L111-E115 WeakPolarHBondContact O-CA 3.44Å; L111-E115 VanDerWaalsContact O-CB 3.29Å; L111-E115 WeakPolarHBondContact O-CB 3.29Å; L111-E115 PolarHBondContact O-N 3.09Å; L111-L122 HydrophobicContact CD2-CD1 3.63Å; L111-F145 HydrophobicContact CD2-CE1 4.28Å; L111-T147 HydrophobicContact CD2-CG2 4.15Å; L111-T249 HydrophobicContact CB-CG2 4.02Å
112Y97.1Very high95Very high0 Ų016.8 Ų16.80%010%0.095CC..Iπ-helixtrans-67.3-46.8174.4179.8-108.9000111I109 G110 W114 H116 I117 P244 G246 V247I109-Y112 WeakPolarHBondContact O-CB 3.42Å; I109-Y112 PolarHBondContact O-N 3.24Å; G110-Y112 VanDerWaalsContact C-N 3.31Å; Y112-W114 PolarHBondContact O-N 3.07Å; Y112-H116 HydrophobicContact CD2-CB 3.45Å; Y112-H116 VanDerWaalsContact CD2-CB 3.45Å; Y112-H116 AromaticContact CD2-CD2 4Å; Y112-H116 AromaticContact CD2-CG 3.63Å; Y112-H116 HydrophobicContact CE2-CB 3.55Å; Y112-H116 AromaticContact CE2-CG 3.95Å; Y112-H116 HydrophobicContact CG-CB 4.32Å; Y112-H116 WeakPolarHBondContact O-CA 3.4Å; Y112-H116 VanDerWaalsContact O-CB 3.27Å; Y112-H116 WeakPolarHBondContact O-CB 3.2Å; Y112-H116 PolarHBondContact O-N 3.37Å; Y112-I117 HydrophobicContact CD1-CG1 4.21Å; Y112-I117 HydrophobicContact CE1-CD1 3.84Å; Y112-I117 HydrophobicContact CE1-CG1 3.79Å; Y112-I117 PolarHBondContact O-N 2.74Å; Y112-P244 HydrophobicContact CE1-CG 4.11Å; Y112-G246 VanDerWaalsContact CE1-CA 3.45Å; Y112-G246 VanDerWaalsContact CE2-CA 3.5Å; Y112-V247 HydrophobicContact CD2-CG2 3.92Å; Y112-V247 HydrophobicContact CE2-CG2 4.31Å
113L97.6Very high94.8Very high1 Ų121.6 Ų21.61%0.00512%0.121CC..Iπ-helixtrans-55.7-50.8173.1176.268.9000111.1I103 I109 G110 I117 L118 I166 V200 W243 F427I103-L113 HydrophobicContact CD1-CD2 4.36Å; I103-L113 HydrophobicContact CG2-CD2 4.4Å; I109-L113 PolarHBondContact O-N 3.4Å; G110-L113 PolarHBondContact O-N 2.71Å; L113-I117 WeakPolarHBondContact O-CB 3.19Å; L113-I117 PolarHBondContact O-N 3.32Å; L113-L118 HydrophobicContact CG-CD1 4.45Å; L113-L118 WeakPolarHBondContact O-CG 3.48Å; L113-L118 PolarHBondContact O-N 3.47Å; L113-I166 HydrophobicContact CB-CD1 4.48Å; L113-I166 HydrophobicContact CD2-CD1 3.66Å; L113-V200 HydrophobicContact CD2-CG2 4.33Å; L113-W243 HydrophobicContact CD1-CH2 3.79Å; L113-W243 HydrophobicContact CD1-CZ2 3.35Å; L113-F427 HydrophobicContact CD1-CD1 4.35Å; L113-F427 HydrophobicContact CD1-CD2 4.34Å; L113-F427 HydrophobicContact CD1-CE1 4.36Å; L113-F427 HydrophobicContact CD1-CE2 4.35Å; L113-F427 HydrophobicContact CD1-CG 4.34Å; L113-F427 HydrophobicContact CD1-CZ 4.36Å; L113-F427 HydrophobicContact CD2-CE2 4.42Å; L113-F427 HydrophobicContact CD2-CZ 4.1Å
114W97.4Very high94.5Very high0 Ų024.5 Ų24.50%014%0.14CC..Iπ-helixtrans-73.2-61-173.6-175.1-102.4000113.2G110 Y112 L118 E119 G120 P121 G134 I136 F143 F145G110-W114 WeakPolarHBondContact O-CB 3.1Å; G110-W114 PolarHBondContact O-N 3.46Å; Y112-W114 PolarHBondContact O-N 3.07Å; W114-L118 HydrophobicContact CE3-CD1 3.81Å; W114-L118 HydrophobicContact CZ3-CD1 4.09Å; W114-E119 PolarHBondContact O-N 2.9Å; W114-E119 VanDerWaalsContact O-N 3.07Å; W114-G120 VanDerWaalsContact CD1-O 3.31Å; W114-G120 VanDerWaalsContact NE1-C 3.31Å; W114-G120 PolarHBondContact NE1-O 2.8Å; W114-G120 VanDerWaalsContact NE1-O 3.09Å; W114-G120 PolarHBondContact O-N 3.02Å; W114-P121 PolarHBondContact NE1-O 2.93Å; W114-G134 WeakPolarHBondContact CH2-O 3.36Å; W114-G134 WeakPolarHBondContact CZ2-O 3.38Å; W114-I136 HydrophobicContact CH2-CB 4.11Å; W114-I136 HydrophobicContact CH2-CG2 3.5Å; W114-I136 HydrophobicContact CZ2-CB 4.45Å; W114-I136 HydrophobicContact CZ2-CG2 4.16Å; W114-I136 HydrophobicContact CZ3-CG2 3.69Å; W114-F143 HydrophobicContact CH2-CB 4.48Å; W114-F143 HydrophobicContact CZ3-CB 3.95Å; W114-F145 HydrophobicContact CB-CD1 3.71Å; W114-F145 HydrophobicContact CB-CE1 3.65Å; W114-F145 HydrophobicContact CB-CE2 4.44Å; W114-F145 HydrophobicContact CB-CG 4.15Å; W114-F145 HydrophobicContact CB-CZ 4.03Å; W114-F145 AromaticContact CD1-CD1 3.61Å; W114-F145 AromaticContact CD1-CE1 3.98Å; W114-F145 HydrophobicContact CD2-CB 3.42Å; W114-F145 VanDerWaalsContact CD2-CB 3.42Å; W114-F145 AromaticContact CD2-CD1 3.47Å; W114-F145 HydrophobicContact CD2-CD1 3.47Å; W114-F145 VanDerWaalsContact CD2-CD1 3.47Å; W114-F145 HydrophobicContact CD2-CE1 4.33Å; W114-F145 AromaticContact CD2-CG 3.58Å; W114-F145 HydrophobicContact CD2-CG 3.58Å; W114-F145 AromaticContact CE2-CD1 3.89Å; W114-F145 HydrophobicContact CE3-CB 3.19Å; W114-F145 HydrophobicContact CE3-CD1 4.05Å; W114-F145 HydrophobicContact CE3-CD2 4.36Å; W114-F145 AromaticContact CE3-CG 3.65Å; W114-F145 HydrophobicContact CE3-CG 3.65Å; W114-F145 HydrophobicContact CG-CB 4.2Å; W114-F145 AromaticContact CG-CD1 3.27Å; W114-F145 HydrophobicContact CG-CD1 3.27Å; W114-F145 AromaticContact CG-CE1 3.68Å; W114-F145 HydrophobicContact CG-CE1 3.68Å; W114-F145 AromaticContact CG-CG 3.81Å; W114-F145 HydrophobicContact CG-CG 3.81Å; W114-F145 HydrophobicContact CG-CZ 4.48Å; W114-F145 HydrophobicContact CH2-CB 3.64Å; W114-F145 HydrophobicContact CZ2-CB 3.91Å; W114-F145 HydrophobicContact CZ3-CB 3.29Å; W114-F145 HydrophobicContact CZ3-CG 4.27Å; W114-F145 AromaticContact NE1-CD1 3.92Å
115E95.3Very high94.1Very high51 Ų5129.9 Ų29.924%0.23817%0.173CC..Iπ-helixtrans-73.9-44-173.8-62.4177.2145.600109.6L111 E119 L122 R132 M255L111-E115 WeakPolarHBondContact O-CA 3.44Å; L111-E115 VanDerWaalsContact O-CB 3.29Å; L111-E115 WeakPolarHBondContact O-CB 3.29Å; L111-E115 PolarHBondContact O-N 3.09Å; E115-E119 VanDerWaalsContact O-CA 3.27Å; E115-E119 WeakPolarHBondContact O-CA 3.4Å; E115-L122 HydrophobicContact CG-CD1 4.11Å; E115-R132 IonicContact OE1-CZ 3.94Å; E115-R132 IonicContact OE1-NH1 3.59Å; E115-R132 IonicContact OE1-NH2 3.63Å; E115-R132 PolarHBondContact OE1-NH2 2.85Å; E115-M255 WeakPolarHBondContact O-CE 3.41Å
116H95.8Very high93.7Very high5 Ų533.9 Ų33.92%0.02319%0.194CC..Iπ-helixtrans-93.1-34-170.8-66.9-109.9000115.8Y112 V247 P254 R420Y112-H116 HydrophobicContact CD2-CB 3.45Å; Y112-H116 VanDerWaalsContact CD2-CB 3.45Å; Y112-H116 AromaticContact CD2-CD2 4Å; Y112-H116 AromaticContact CD2-CG 3.63Å; Y112-H116 HydrophobicContact CE2-CB 3.55Å; Y112-H116 AromaticContact CE2-CG 3.95Å; Y112-H116 HydrophobicContact CG-CB 4.32Å; Y112-H116 WeakPolarHBondContact O-CA 3.4Å; Y112-H116 VanDerWaalsContact O-CB 3.27Å; Y112-H116 WeakPolarHBondContact O-CB 3.2Å; Y112-H116 PolarHBondContact O-N 3.37Å; H116-V247 WeakPolarHBondContact CE1-CG2 3.32Å; H116-P254 PolarHBondContact CE1-O 3.41Å; H116-R420 PolarHBondContact O-NH1 2.89Å
117I97Very high93.1Very high3 Ų337.4 Ų37.42%0.01521%0.21CC..Iπ-helixtrans-92.7-55.3-178.3-60.2-59.6000110.4Y112 L113 E119 W243 R420 M423 K424Y112-I117 HydrophobicContact CD1-CG1 4.21Å; Y112-I117 HydrophobicContact CE1-CD1 3.84Å; Y112-I117 HydrophobicContact CE1-CG1 3.79Å; Y112-I117 PolarHBondContact O-N 2.74Å; L113-I117 WeakPolarHBondContact O-CB 3.19Å; L113-I117 PolarHBondContact O-N 3.32Å; I117-E119 VanDerWaalsContact C-N 3.32Å; I117-W243 HydrophobicContact CG1-CZ2 4.23Å; I117-W243 HydrophobicContact CG2-CH2 4.3Å; I117-W243 HydrophobicContact CG2-CZ2 4.35Å; I117-R420 HydrophobicContact CD1-CB 3.96Å; I117-R420 HydrophobicContact CD1-CG 3.87Å; I117-M423 HydrophobicContact CD1-CB 4.18Å; I117-M423 HydrophobicContact CG2-CB 4.25Å; I117-K424 HydrophobicContact CG2-CB 3.76Å; I117-K424 WeakPolarHBondContact O-CD 3.42Å
118L96.6Very high92.8Very high1 Ų142.3 Ų42.31%0.00524%0.238CC..Iπ-helixtrans-74.6-25.7179.8-63.3180000112.4I103 L113 W114 G120 I136 F143 K424 F427I103-L118 HydrophobicContact CD1-CD1 4.05Å; L113-L118 HydrophobicContact CG-CD1 4.45Å; L113-L118 WeakPolarHBondContact O-CG 3.48Å; L113-L118 PolarHBondContact O-N 3.47Å; W114-L118 HydrophobicContact CE3-CD1 3.81Å; W114-L118 HydrophobicContact CZ3-CD1 4.09Å; L118-G120 VanDerWaalsContact C-N 3.3Å; L118-I136 HydrophobicContact CB-CG2 4.3Å; L118-I136 VanDerWaalsContact O-CD1 3.24Å; L118-I136 WeakPolarHBondContact O-CD1 3.33Å; L118-F143 HydrophobicContact CD1-CD2 4.32Å; L118-F143 HydrophobicContact CD1-CG 4.44Å; L118-F143 HydrophobicContact CD2-CE2 4.39Å; L118-K424 HydrophobicContact CD2-CG 4.14Å; L118-K424 PolarHBondContact O-NZ 2.83Å; L118-F427 HydrophobicContact CD2-CD1 4.42Å
119E94.9Very high92.9Very high83 Ų8341.5 Ų41.539%0.38823%0.231SC..  trans64.534.2-173.4-50-162.2162.800112.8W114 E115 I117 I136 M255 R420W114-E119 PolarHBondContact O-N 2.9Å; W114-E119 VanDerWaalsContact O-N 3.07Å; E115-E119 VanDerWaalsContact O-CA 3.27Å; E115-E119 WeakPolarHBondContact O-CA 3.4Å; I117-E119 VanDerWaalsContact C-N 3.32Å; E119-I136 WeakPolarHBondContact O-CD1 3.47Å; E119-M255 HydrophobicContact CB-CE 4.2Å; E119-M255 HydrophobicContact CG-CE 3.81Å; E119-R420 IonicContact OE1-CZ 3.49Å; E119-R420 IonicContact OE1-NH1 3.08Å; E119-R420 PolarHBondContact OE1-NH1 3.41Å; E119-R420 IonicContact OE1-NH2 2.72Å; E119-R420 PolarHBondContact OE1-NH2 2.88Å
120G94.8Very high92.7Very high6 Ų646.9 Ų46.96%0.06226%0.257CS..  trans-77.2132.8179.400000112.7W114 L118W114-G120 VanDerWaalsContact CD1-O 3.31Å; W114-G120 VanDerWaalsContact NE1-C 3.31Å; W114-G120 PolarHBondContact NE1-O 2.8Å; W114-G120 VanDerWaalsContact NE1-O 3.09Å; W114-G120 PolarHBondContact O-N 3.02Å; L118-G120 VanDerWaalsContact C-N 3.3Å
121P94.3Very high92.5Very high80 Ų8050.1 Ų50.152%0.51927%0.269SS..  trans-71.8158.617031.5-33.9000110.8W114 G134W114-P121 PolarHBondContact NE1-O 2.93Å; P121-G134 WeakPolarHBondContact O-CA 3.28Å
122L94.1Very high92.4Very high8 Ų849.6 Ų49.64%0.04227%0.265CS..  trans-125.2136.4175-83.2174.1000110.5L111 E115 P124 T125 R132 E133 F145 T147L111-L122 HydrophobicContact CD2-CD1 3.63Å; E115-L122 HydrophobicContact CG-CD1 4.11Å; L122-P124 CarbonylContact O-C 3.58Å; L122-T125 PolarHBondContact O-N 3.42Å; L122-R132 VanDerWaalsContact CB-NH2 3.32Å; L122-R132 HydrophobicContact CD2-CB 4.2Å; L122-E133 CarbonylContact C-O 3.59Å; L122-E133 WeakPolarHBondContact CA-O 3Å; L122-E133 WeakPolarHBondContact CD2-O 3.46Å; L122-F145 HydrophobicContact CD1-CE1 4.16Å; L122-F145 HydrophobicContact CD2-CD1 3.69Å; L122-F145 HydrophobicContact CD2-CE1 4.08Å; L122-T147 HydrophobicContact CD1-CG2 4.37Å
123N92.4Very high92.3Very high101 Ų10153.6 Ų53.654%0.5428%0.284SS..BIsolated β-bridgetrans-122.5127.5176.4-68.2-38.8000109.4R132 E133N123-R132 WeakPolarHBondContact O-CA 3.37Å; N123-E133 PolarHBondContact N-O 3.44Å; N123-E133 PolarHBondContact O-N 2.99Å
124P91.3Very high92.2Very high61 Ų6153.9 Ų53.940%0.39629%0.287SS..SBendcis-64158.1-10.731-37000112.4L122 D126 A129 W131 R132L122-P124 CarbonylContact O-C 3.58Å; P124-D126 PolarHBondContact O-N 2.95Å; P124-A129 HydrophobicContact CG-CB 3.4Å; P124-W131 VanDerWaalsContact CD-O 3.25Å; P124-W131 WeakPolarHBondContact CD-O 3.28Å; P124-R132 HydrophobicContact CG-CG 4.37Å; P124-R132 PolarHBondContact O-NE 3.46Å
125T87.3Confident92.1Very high117 Ų11760.2 Ų60.272%0.71832%0.316SS*.  trans-70.9-17.4174.452.30000112.5L122 K127L122-T125 PolarHBondContact O-N 3.42Å; T125-K127 PolarHBondContact O-N 3.2Å
126D86.4Confident92.1Very high86 Ų8659.4 Ų59.446%0.4631%0.313SS..  trans-63.7122.8176.4-175.55.8000111.3P124 V128 A129 R132P124-D126 PolarHBondContact O-N 2.95Å; D126-V128 VanDerWaalsContact C-N 3.33Å; D126-V128 PolarHBondContact O-N 3.06Å; D126-V128 VanDerWaalsContact OD1-CG2 3.24Å; D126-V128 WeakPolarHBondContact OD1-CG2 3.38Å; D126-V128 PolarHBondContact OD1-N 2.97Å; D126-V128 WeakPolarHBondContact OD2-CG2 3.48Å; D126-A129 HydrophobicContact CB-CB 4.39Å; D126-A129 VanDerWaalsContact O-CB 3.29Å; D126-A129 WeakPolarHBondContact O-CB 3.5Å; D126-A129 PolarHBondContact O-N 3.14Å; D126-R132 VanDerWaalsContact O-CD 3.3Å; D126-R132 WeakPolarHBondContact O-CD 3.46Å; D126-R132 PolarHBondContact O-NE 2.83Å
127K82.1Confident92Very high111 Ų11163.4 Ų63.448%0.48333%0.332SS..THydrogen-bonded Turntrans-73.2-23.1-177.8-61.1-177.5-171.21730113.1T125 A129 E252T125-K127 PolarHBondContact O-N 3.2Å; K127-A129 VanDerWaalsContact C-N 3.31Å; K127-E252 HydrophobicContact CD-CG 4.03Å; K127-E252 WeakPolarHBondContact CD-OE2 3.42Å; K127-E252 IonicContact NZ-OE2 3.95Å; K127-E252 PolarHBondContact NZ-OE2 3.45Å
128V84Confident91.8Very high111 Ų11163.8 Ų63.867%0.67334%0.335SS*.THydrogen-bonded Turntrans-88.4-1.2178.2-59.20000113.1D126 Q130D126-V128 VanDerWaalsContact C-N 3.33Å; D126-V128 PolarHBondContact O-N 3.06Å; D126-V128 VanDerWaalsContact OD1-CG2 3.24Å; D126-V128 WeakPolarHBondContact OD1-CG2 3.38Å; D126-V128 PolarHBondContact OD1-N 2.97Å; D126-V128 WeakPolarHBondContact OD2-CG2 3.48Å; V128-Q130 PolarHBondContact O-N 3.46Å; V128-Q130 PolarHBondContact O-NE2 3.08Å
129A87.7Confident91.3Very high17 Ų1766.6 Ų66.614%0.1436%0.364CS..  trans-58.3136.6178.700000111.4P124 D126 K127 W131 R132P124-A129 HydrophobicContact CG-CB 3.4Å; D126-A129 HydrophobicContact CB-CB 4.39Å; D126-A129 VanDerWaalsContact O-CB 3.29Å; D126-A129 WeakPolarHBondContact O-CB 3.5Å; D126-A129 PolarHBondContact O-N 3.14Å; K127-A129 VanDerWaalsContact C-N 3.31Å; A129-W131 PolarHBondContact O-N 3.07Å; A129-R132 HydrophobicContact CB-CG 3.87Å
130Q89.4Confident91.1Very high115 Ų11568 Ų6854%0.53737%0.369SS..SBendtrans-66.8-25.3-179.3-63.5-60-67.200112.3V128 G148 P149 A150V128-Q130 PolarHBondContact O-N 3.46Å; V128-Q130 PolarHBondContact O-NE2 3.08Å; Q130-G148 CarbonylContact O-C 3.43Å; Q130-G148 WeakPolarHBondContact O-CA 3.31Å; Q130-P149 WeakPolarHBondContact O-CD 3.32Å; Q130-A150 HydrophobicContact CB-CB 3.97Å; Q130-A150 WeakPolarHBondContact O-CB 3.46Å; Q130-A150 PolarHBondContact O-N 2.92Å
131W91.9Very high91Very high68 Ų6867.8 Ų67.826%0.25837%0.366SS..  trans-137.3129.4179.5-175.1-85000108.7P124 A129 E133 Y146 A150 V151 V156P124-W131 VanDerWaalsContact CD-O 3.25Å; P124-W131 WeakPolarHBondContact CD-O 3.28Å; A129-W131 PolarHBondContact O-N 3.07Å; W131-E133 PolarHBondContact NE1-OE2 2.88Å; W131-Y146 AromaticContact CE2-CD1 3.86Å; W131-Y146 HydrophobicContact CH2-CD1 4.18Å; W131-Y146 AromaticContact CZ2-CD1 3.33Å; W131-Y146 HydrophobicContact CZ2-CD1 3.33Å; W131-Y146 AromaticContact CZ2-CE1 3.84Å; W131-Y146 HydrophobicContact CZ2-CE1 3.84Å; W131-Y146 HydrophobicContact CZ2-CG 4.29Å; W131-A150 HydrophobicContact CE3-CB 4.36Å; W131-V151 HydrophobicContact CD2-CG2 4.14Å; W131-V151 HydrophobicContact CE3-CB 4.48Å; W131-V151 HydrophobicContact CE3-CG2 3.58Å; W131-V151 HydrophobicContact CH2-CG2 4.3Å; W131-V151 HydrophobicContact CZ3-CB 4.26Å; W131-V151 HydrophobicContact CZ3-CG2 3.68Å; W131-V156 HydrophobicContact CH2-CB 4.36Å; W131-V156 HydrophobicContact CH2-CG1 4.1Å; W131-V156 HydrophobicContact CH2-CG2 4.24Å; W131-V156 HydrophobicContact CZ3-CG2 4.45Å
132R93.8Very high91Very high16 Ų1665.7 Ų65.76%0.0635%0.351CS..EExtended strand (participates in β ladder)trans-134.8134.9171.6-62.4172.971-151.3-1.6108.4E115 L122 N123 P124 D126 A129 T147E115-R132 IonicContact OE1-CZ 3.94Å; E115-R132 IonicContact OE1-NH1 3.59Å; E115-R132 IonicContact OE1-NH2 3.63Å; E115-R132 PolarHBondContact OE1-NH2 2.85Å; L122-R132 VanDerWaalsContact CB-NH2 3.32Å; L122-R132 HydrophobicContact CD2-CB 4.2Å; N123-R132 WeakPolarHBondContact O-CA 3.37Å; P124-R132 HydrophobicContact CG-CG 4.37Å; P124-R132 PolarHBondContact O-NE 3.46Å; D126-R132 VanDerWaalsContact O-CD 3.3Å; D126-R132 WeakPolarHBondContact O-CD 3.46Å; D126-R132 PolarHBondContact O-NE 2.83Å; A129-R132 HydrophobicContact CB-CG 3.87Å; R132-T147 HydrophobicContact CB-CG2 3.92Å; R132-T147 PolarHBondContact N-O 2.8Å; R132-T147 PolarHBondContact O-N 3.12Å
133E94.8Very high91.1Very high85 Ų8565.4 Ų65.440%0.39735%0.349SS..EExtended strand (participates in β ladder)trans-133.8158.9179.169.2-167.7-175.300112L122 N123 W131 F145 Y146L122-E133 CarbonylContact C-O 3.59Å; L122-E133 WeakPolarHBondContact CA-O 3Å; L122-E133 WeakPolarHBondContact CD2-O 3.46Å; N123-E133 PolarHBondContact N-O 3.44Å; N123-E133 PolarHBondContact O-N 2.99Å; W131-E133 PolarHBondContact NE1-OE2 2.88Å; E133-F145 CarbonylContact C-O 3.55Å; E133-F145 WeakPolarHBondContact CA-O 3.39Å; E133-Y146 HydrophobicContact CB-CD1 3.76Å; E133-Y146 HydrophobicContact CB-CE1 3.87Å; E133-Y146 WeakPolarHBondContact OE2-CE1 3.43Å
134G95.4Very high91.3Very high6 Ų660.8 Ų60.86%0.06232%0.324CS..EExtended strand (participates in β ladder)trans-158.4156.9177.300000111.3W114 P121 S144 F145W114-G134 WeakPolarHBondContact CH2-O 3.36Å; W114-G134 WeakPolarHBondContact CZ2-O 3.38Å; P121-G134 WeakPolarHBondContact O-CA 3.28Å; G134-S144 CarbonylContact O-C 3.56Å; G134-S144 WeakPolarHBondContact O-CA 3.25Å; G134-F145 PolarHBondContact N-O 2.89Å; G134-F145 PolarHBondContact O-N 2.93Å
135E95.4Very high91.5Very high133 Ų13357.9 Ų57.962%0.62131%0.306SS*.EExtended strand (participates in β ladder)trans-129.8137.5175.3-60.4-168.6153.300109.6F143 S144E135-F143 VanDerWaalsContact CA-O 3.3Å; E135-F143 WeakPolarHBondContact CA-O 3.45Å; E135-S144 PolarHBondContact OE1-OG 3.15Å
136I95.8Very high91.9Very high35 Ų3552.7 Ų52.718%0.17927%0.273CS..EExtended strand (participates in β ladder)trans-149.5144.2174.7-167.3160.2000110.7W114 L118 E119 F143W114-I136 HydrophobicContact CH2-CB 4.11Å; W114-I136 HydrophobicContact CH2-CG2 3.5Å; W114-I136 HydrophobicContact CZ2-CB 4.45Å; W114-I136 HydrophobicContact CZ2-CG2 4.16Å; W114-I136 HydrophobicContact CZ3-CG2 3.69Å; L118-I136 HydrophobicContact CB-CG2 4.3Å; L118-I136 VanDerWaalsContact O-CD1 3.24Å; L118-I136 WeakPolarHBondContact O-CD1 3.33Å; E119-I136 WeakPolarHBondContact O-CD1 3.47Å; I136-F143 HydrophobicContact CG2-CB 4.21Å; I136-F143 PolarHBondContact N-O 2.67Å; I136-F143 PolarHBondContact O-N 2.65Å
137Q93.6Very high92.3Very high89 Ų8949.5 Ų49.542%0.41626%0.256SS..EExtended strand (participates in β ladder)trans-94.9129.1171.1-175.4-175.7-16.300109.9G139 D142Q137-G139 PolarHBondContact NE2-O 3.19Å; Q137-D142 WeakPolarHBondContact CG-OD1 3.44Å
138S91.4Very high92.7Very high11 Ų1144.9 Ų44.98%0.07724%0.24CC..EExtended strand (participates in β ladder)trans-126.7112.6169.7-1710000108.9K140 V141 K424 T428S138-K140 PolarHBondContact O-N 3.15Å; S138-V141 PolarHBondContact N-O 3.49Å; S138-V141 PolarHBondContact O-N 3.4Å; S138-K424 VanDerWaalsContact OG-CE 3.25Å; S138-K424 WeakPolarHBondContact OG-CE 3.36Å; S138-T428 WeakPolarHBondContact O-CG2 3.42Å; S138-T428 PolarHBondContact OG-OG1 2.9Å
139G87.3Confident92.8Very high59 Ų5943.4 Ų43.461%0.60823%0.233SC*.THydrogen-bonded Turntrans58.5-119.4-172.900000111.8Q137Q137-G139 PolarHBondContact NE2-O 3.19Å
140K89.6Confident92.8Very high114 Ų11444.6 Ų44.650%0.49624%0.243SC..THydrogen-bonded Turntrans-96.10.1177.7-62177-169.1160.40113.7R98 Y99 S138 E432R98-K140 WeakPolarHBondContact CA-O 3.38Å; Y99-K140 HydrophobicContact CD2-CB 4.28Å; Y99-K140 PolarHBondContact N-O 2.84Å; S138-K140 PolarHBondContact O-N 3.15Å; K140-E432 IonicContact NZ-OE1 3.81Å
141V93.1Very high92.7Very high0 Ų039.1 Ų39.10%022%0.217CC..EExtended strand (participates in β ladder)trans-104.6122.1-176.5-1700000109.5Y99 V101 S138 F143 T428 E432Y99-V141 HydrophobicContact CD2-CG2 4.44Å; Y99-V141 CarbonylContact O-C 3.52Å; Y99-V141 WeakPolarHBondContact O-CA 3.38Å; V101-V141 HydrophobicContact CB-CG1 3.96Å; V101-V141 HydrophobicContact CG2-CG1 3.63Å; S138-V141 PolarHBondContact N-O 3.49Å; S138-V141 PolarHBondContact O-N 3.4Å; V141-F143 HydrophobicContact CB-CD2 4.42Å; V141-F143 HydrophobicContact CB-CE2 3.9Å; V141-F143 HydrophobicContact CB-CZ 3.99Å; V141-F143 HydrophobicContact CG1-CD1 4.03Å; V141-F143 HydrophobicContact CG1-CD2 4.15Å; V141-F143 HydrophobicContact CG1-CE1 3.66Å; V141-F143 HydrophobicContact CG1-CE2 3.8Å; V141-F143 HydrophobicContact CG1-CG 4.26Å; V141-F143 HydrophobicContact CG1-CZ 3.54Å; V141-T428 HydrophobicContact CB-CG2 4.33Å; V141-T428 HydrophobicContact CG2-CG2 3.98Å; V141-E432 HydrophobicContact CG2-CB 4.43Å
142D94.6Very high92.6Very high37 Ų3738.3 Ų38.320%0.19822%0.22CC..EExtended strand (participates in β ladder)trans-89114.4167.7-63.1-30.8000107.5R98 Y99 K100 V101 Q137R98-D142 WeakPolarHBondContact CB-OD2 3.21Å; R98-D142 VanDerWaalsContact CD-OD2 3.26Å; R98-D142 WeakPolarHBondContact CD-OD2 2.96Å; R98-D142 IonicContact NH1-OD1 3.65Å; Y99-D142 PolarHBondContact O-N 2.72Å; K100-D142 WeakPolarHBondContact CA-O 3.24Å; K100-D142 HydrophobicContact CG-CB 4.47Å; V101-D142 PolarHBondContact N-O 3.42Å; Q137-D142 WeakPolarHBondContact CG-OD1 3.44Å
143F96.3Very high92.2Very high1 Ų140.2 Ų40.20%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-99.1130.8178.1-68.7-72.8000110.7V101 I103 W114 L118 E135 I136 V141 F427 T428V101-F143 HydrophobicContact CB-CD1 3.72Å; V101-F143 HydrophobicContact CB-CE1 3.76Å; V101-F143 HydrophobicContact CG1-CD1 3.9Å; V101-F143 HydrophobicContact CG1-CE1 3.79Å; V101-F143 HydrophobicContact CG2-CE1 4.37Å; V101-F143 VanDerWaalsContact O-CA 3.31Å; V101-F143 WeakPolarHBondContact O-CA 3.18Å; I103-F143 HydrophobicContact CD1-CB 4.32Å; I103-F143 HydrophobicContact CD1-CD1 3.69Å; I103-F143 HydrophobicContact CD1-CE1 4.29Å; I103-F143 HydrophobicContact CD1-CG 4.22Å; I103-F143 HydrophobicContact CG1-CD1 4.06Å; W114-F143 HydrophobicContact CH2-CB 4.48Å; W114-F143 HydrophobicContact CZ3-CB 3.95Å; L118-F143 HydrophobicContact CD1-CD2 4.32Å; L118-F143 HydrophobicContact CD1-CG 4.44Å; L118-F143 HydrophobicContact CD2-CE2 4.39Å; E135-F143 VanDerWaalsContact CA-O 3.3Å; E135-F143 WeakPolarHBondContact CA-O 3.45Å; I136-F143 HydrophobicContact CG2-CB 4.21Å; I136-F143 PolarHBondContact N-O 2.67Å; I136-F143 PolarHBondContact O-N 2.65Å; V141-F143 HydrophobicContact CB-CD2 4.42Å; V141-F143 HydrophobicContact CB-CE2 3.9Å; V141-F143 HydrophobicContact CB-CZ 3.99Å; V141-F143 HydrophobicContact CG1-CD1 4.03Å; V141-F143 HydrophobicContact CG1-CD2 4.15Å; V141-F143 HydrophobicContact CG1-CE1 3.66Å; V141-F143 HydrophobicContact CG1-CE2 3.8Å; V141-F143 HydrophobicContact CG1-CG 4.26Å; V141-F143 HydrophobicContact CG1-CZ 3.54Å; F143-F427 AromaticContact CE1-CE1 3.85Å; F143-F427 HydrophobicContact CE1-CE1 3.85Å; F143-F427 HydrophobicContact CZ-CD1 4.16Å; F143-F427 AromaticContact CZ-CE1 3.79Å; F143-F427 HydrophobicContact CZ-CE1 3.79Å; F143-T428 HydrophobicContact CE2-CG2 4.43Å
144S96.1Very high91.5Very high4 Ų439 Ų393%0.02824%0.24CC..EExtended strand (participates in β ladder)trans-112.5130.3166.2-57.40000109.1V101 Q102 I103 G134 E135 M160V101-S144 PolarHBondContact O-N 2.97Å; Q102-S144 CarbonylContact C-O 3.55Å; Q102-S144 WeakPolarHBondContact CA-O 3.41Å; I103-S144 PolarHBondContact N-O 2.54Å; G134-S144 CarbonylContact O-C 3.56Å; G134-S144 WeakPolarHBondContact O-CA 3.25Å; E135-S144 PolarHBondContact OE1-OG 3.15Å; S144-M160 WeakPolarHBondContact OG-CE 3.43Å
145F96.6Very high90.9Very high0 Ų045.5 Ų45.50%027%0.268CS..EExtended strand (participates in β ladder)trans-120.1137.7-176.4174.3-115.4000111.5I103 L111 W114 L122 E133 G134 T147 I166I103-F145 HydrophobicContact CB-CB 4.38Å; I103-F145 HydrophobicContact CB-CD2 3.79Å; I103-F145 HydrophobicContact CG2-CD2 3.56Å; I103-F145 HydrophobicContact CG2-CE2 4.01Å; I103-F145 WeakPolarHBondContact O-CA 3.45Å; L111-F145 HydrophobicContact CD2-CE1 4.28Å; W114-F145 HydrophobicContact CB-CD1 3.71Å; W114-F145 HydrophobicContact CB-CE1 3.65Å; W114-F145 HydrophobicContact CB-CE2 4.44Å; W114-F145 HydrophobicContact CB-CG 4.15Å; W114-F145 HydrophobicContact CB-CZ 4.03Å; W114-F145 AromaticContact CD1-CD1 3.61Å; W114-F145 AromaticContact CD1-CE1 3.98Å; W114-F145 HydrophobicContact CD2-CB 3.42Å; W114-F145 VanDerWaalsContact CD2-CB 3.42Å; W114-F145 AromaticContact CD2-CD1 3.47Å; W114-F145 HydrophobicContact CD2-CD1 3.47Å; W114-F145 VanDerWaalsContact CD2-CD1 3.47Å; W114-F145 HydrophobicContact CD2-CE1 4.33Å; W114-F145 AromaticContact CD2-CG 3.58Å; W114-F145 HydrophobicContact CD2-CG 3.58Å; W114-F145 AromaticContact CE2-CD1 3.89Å; W114-F145 HydrophobicContact CE3-CB 3.19Å; W114-F145 HydrophobicContact CE3-CD1 4.05Å; W114-F145 HydrophobicContact CE3-CD2 4.36Å; W114-F145 AromaticContact CE3-CG 3.65Å; W114-F145 HydrophobicContact CE3-CG 3.65Å; W114-F145 HydrophobicContact CG-CB 4.2Å; W114-F145 AromaticContact CG-CD1 3.27Å; W114-F145 HydrophobicContact CG-CD1 3.27Å; W114-F145 AromaticContact CG-CE1 3.68Å; W114-F145 HydrophobicContact CG-CE1 3.68Å; W114-F145 AromaticContact CG-CG 3.81Å; W114-F145 HydrophobicContact CG-CG 3.81Å; W114-F145 HydrophobicContact CG-CZ 4.48Å; W114-F145 HydrophobicContact CH2-CB 3.64Å; W114-F145 HydrophobicContact CZ2-CB 3.91Å; W114-F145 HydrophobicContact CZ3-CB 3.29Å; W114-F145 HydrophobicContact CZ3-CG 4.27Å; W114-F145 AromaticContact NE1-CD1 3.92Å; L122-F145 HydrophobicContact CD1-CE1 4.16Å; L122-F145 HydrophobicContact CD2-CD1 3.69Å; L122-F145 HydrophobicContact CD2-CE1 4.08Å; E133-F145 CarbonylContact C-O 3.55Å; E133-F145 WeakPolarHBondContact CA-O 3.39Å; G134-F145 PolarHBondContact N-O 2.89Å; G134-F145 PolarHBondContact O-N 2.93Å; F145-T147 HydrophobicContact CD1-CG2 4.38Å; F145-T147 HydrophobicContact CE1-CG2 3.55Å; F145-T147 HydrophobicContact CZ-CG2 3.94Å; F145-I166 HydrophobicContact CE2-CD1 4.09Å
146Y95.1Very high90.4Very high9 Ų939.8 Ų39.84%0.03524%0.242CC..EExtended strand (participates in β ladder)trans-129.6129.1179.4-59.1-89000109.8Q102 I103 G105 W131 E133 V156 P157Q102-Y146 HydrophobicContact CG-CD2 3.82Å; Q102-Y146 HydrophobicContact CG-CE2 3.54Å; I103-Y146 PolarHBondContact O-N 3.45Å; G105-Y146 PolarHBondContact N-O 2.76Å; W131-Y146 AromaticContact CE2-CD1 3.86Å; W131-Y146 HydrophobicContact CH2-CD1 4.18Å; W131-Y146 AromaticContact CZ2-CD1 3.33Å; W131-Y146 HydrophobicContact CZ2-CD1 3.33Å; W131-Y146 AromaticContact CZ2-CE1 3.84Å; W131-Y146 HydrophobicContact CZ2-CE1 3.84Å; W131-Y146 HydrophobicContact CZ2-CG 4.29Å; E133-Y146 HydrophobicContact CB-CD1 3.76Å; E133-Y146 HydrophobicContact CB-CE1 3.87Å; E133-Y146 WeakPolarHBondContact OE2-CE1 3.43Å; Y146-V156 HydrophobicContact CD2-CG1 4.33Å; Y146-V156 HydrophobicContact CG-CG1 4.12Å; Y146-P157 HydrophobicContact CE1-CG 4.25Å
147T94.6Very high89.7Confident18 Ų1840.8 Ų40.811%0.1125%0.251CS..EExtended strand (participates in β ladder)trans-146.2159.6177.8-171.50000111.5G105 L111 L122 R132 F145 V151G105-T147 PolarHBondContact O-OG1 3Å; L111-T147 HydrophobicContact CD2-CG2 4.15Å; L122-T147 HydrophobicContact CD1-CG2 4.37Å; R132-T147 HydrophobicContact CB-CG2 3.92Å; R132-T147 PolarHBondContact N-O 2.8Å; R132-T147 PolarHBondContact O-N 3.12Å; F145-T147 HydrophobicContact CD1-CG2 4.38Å; F145-T147 HydrophobicContact CE1-CG2 3.55Å; F145-T147 HydrophobicContact CZ-CG2 3.94Å; T147-V151 WeakPolarHBondContact O-CG2 3.14Å
148G90.5Very high89.2Confident14 Ų1439 Ų3914%0.14424%0.244CC..SBendtrans128.1169.517700000114K106 Q130 A150 V151K106-G148 PolarHBondContact NZ-O 3.31Å; Q130-G148 CarbonylContact O-C 3.43Å; Q130-G148 WeakPolarHBondContact O-CA 3.31Å; G148-A150 PolarHBondContact O-N 3.29Å; G148-V151 WeakPolarHBondContact O-CB 3.1Å; G148-V151 PolarHBondContact O-N 2.67Å
149P86.8Confident88.4Confident81 Ų8144.4 Ų44.453%0.52627%0.268SS..THydrogen-bonded Turntrans-58.6-38.6176.3-25.932.3000114.8Q130 V151Q130-P149 WeakPolarHBondContact O-CD 3.32Å; P149-V151 VanDerWaalsContact C-N 3.27Å; P149-V151 PolarHBondContact O-N 3.44Å
150A87.1Confident88.1Confident41 Ų4142.1 Ų42.134%0.33924%0.241SC..THydrogen-bonded Turntrans-79.4-8-178.300000113.6Q130 W131 G148 V152Q130-A150 HydrophobicContact CB-CB 3.97Å; Q130-A150 WeakPolarHBondContact O-CB 3.46Å; Q130-A150 PolarHBondContact O-N 2.92Å; W131-A150 HydrophobicContact CE3-CB 4.36Å; G148-A150 PolarHBondContact O-N 3.29Å; A150-V152 VanDerWaalsContact C-N 3.31Å; A150-V152 PolarHBondContact O-N 3.05Å
151V88.1Confident88Confident0 Ų041.3 Ų41.30%024%0.243CC..  trans-72.689.8170.1-178.20000107.7K106 W131 T147 G148 P149 V156 W181K106-V151 HydrophobicContact CD-CB 4.47Å; K106-V151 HydrophobicContact CD-CG1 4.14Å; K106-V151 PolarHBondContact NZ-O 3.3Å; W131-V151 HydrophobicContact CD2-CG2 4.14Å; W131-V151 HydrophobicContact CE3-CB 4.48Å; W131-V151 HydrophobicContact CE3-CG2 3.58Å; W131-V151 HydrophobicContact CH2-CG2 4.3Å; W131-V151 HydrophobicContact CZ3-CB 4.26Å; W131-V151 HydrophobicContact CZ3-CG2 3.68Å; T147-V151 WeakPolarHBondContact O-CG2 3.14Å; G148-V151 WeakPolarHBondContact O-CB 3.1Å; G148-V151 PolarHBondContact O-N 2.67Å; P149-V151 VanDerWaalsContact C-N 3.27Å; P149-V151 PolarHBondContact O-N 3.44Å; V151-V156 HydrophobicContact CB-CG2 4.46Å; V151-V156 HydrophobicContact CG1-CG2 3.54Å; V151-W181 HydrophobicContact CG1-CH2 4.27Å; V151-W181 VanDerWaalsContact O-CZ2 3.3Å; V151-W181 WeakPolarHBondContact O-CZ2 3.49Å
152V88Confident88.1Confident52 Ų5241.5 Ų41.532%0.31524%0.244SC..  trans-120.4156.6-179.1-62.10000110.6A150 G154 H155A150-V152 VanDerWaalsContact C-N 3.31Å; A150-V152 PolarHBondContact O-N 3.05Å; V152-G154 PolarHBondContact O-N 3.29Å; V152-H155 HydrophobicContact CG2-CB 3.84Å; V152-H155 PolarHBondContact O-N 2.98Å
153Q86.4Confident88.1Confident56 Ų5639.7 Ų39.726%0.26223%0.234SC..THydrogen-bonded Turntrans-52.3138.3-179.2-62.791-22.300111.4H155 W181 H184Q153-H155 PolarHBondContact O-N 3.16Å; Q153-H155 VanDerWaalsContact O-N 3.16Å; Q153-H155 PolarHBondContact O-ND1 3.01Å; Q153-W181 HydrophobicContact CG-CD2 3.92Å; Q153-W181 HydrophobicContact CG-CE3 3.87Å; Q153-W181 HydrophobicContact CG-CH2 4.2Å; Q153-W181 HydrophobicContact CG-CZ2 4.23Å; Q153-W181 HydrophobicContact CG-CZ3 4.01Å; Q153-H184 HydrophobicContact CB-CB 4.17Å; Q153-H184 HydrophobicContact CG-CB 3.77Å
154G80.8Confident88.2Confident59 Ų5939.7 Ų39.761%0.60823%0.234SC*.THydrogen-bonded Turntrans73.5-7.1178.900000116.8V152 H184V152-G154 PolarHBondContact O-N 3.29Å; G154-H184 PolarHBondContact N-CE1 3.41Å; G154-H184 PolarHBondContact N-NE2 3.28Å; G154-H184 VanDerWaalsContact N-NE2 3.12Å
155H82.4Confident88.3Confident143 Ų14339.5 Ų39.566%0.66223%0.233SC*.THydrogen-bonded Turntrans-108.8-4.9178.9-64.173.1000112.9V152 Q153V152-H155 HydrophobicContact CG2-CB 3.84Å; V152-H155 PolarHBondContact O-N 2.98Å; Q153-H155 PolarHBondContact O-N 3.16Å; Q153-H155 VanDerWaalsContact O-N 3.16Å; Q153-H155 PolarHBondContact O-ND1 3.01Å
156V84.1Confident88.4Confident13 Ų1339.5 Ų39.58%0.07923%0.233CC..SBendtrans-84.6124.5175.5-168.80000108.9W104 W131 Y146 V151 L158 W181W104-V156 HydrophobicContact CD2-CG1 4.45Å; W104-V156 HydrophobicContact CZ2-CB 4.1Å; W104-V156 HydrophobicContact CZ2-CG1 4.11Å; W131-V156 HydrophobicContact CH2-CB 4.36Å; W131-V156 HydrophobicContact CH2-CG1 4.1Å; W131-V156 HydrophobicContact CH2-CG2 4.24Å; W131-V156 HydrophobicContact CZ3-CG2 4.45Å; Y146-V156 HydrophobicContact CD2-CG1 4.33Å; Y146-V156 HydrophobicContact CG-CG1 4.12Å; V151-V156 HydrophobicContact CB-CG2 4.46Å; V151-V156 HydrophobicContact CG1-CG2 3.54Å; V156-L158 PolarHBondContact O-N 3.11Å; V156-L158 VanDerWaalsContact O-N 3.17Å; V156-W181 HydrophobicContact CG2-CH2 4.45Å
157P81.5Confident88.5Confident56 Ų5639 Ų3936%0.36423%0.231SC..  trans-62.1121.6176.925.9-32000108.3Q102 Y146Q102-P157 PolarHBondContact NE2-O 2.87Å; Q102-P157 PolarHBondContact OE1-O 2.94Å; Y146-P157 HydrophobicContact CE1-CG 4.25Å
158L83Confident88.6Confident50 Ų5039.5 Ų39.526%0.26223%0.233SC..  trans-100100.6176.2-176.370.8000108.2W104 V156 M160 L188 T193 V194W104-L158 HydrophobicContact CH2-CD1 4.44Å; W104-L158 HydrophobicContact CZ2-CD1 3.9Å; V156-L158 PolarHBondContact O-N 3.11Å; V156-L158 VanDerWaalsContact O-N 3.17Å; L158-M160 WeakPolarHBondContact CD1-O 3.21Å; L158-L188 HydrophobicContact CD2-CD1 4.28Å; L158-L188 HydrophobicContact CD2-CD2 4.46Å; L158-T193 HydrophobicContact CD2-CG2 3.46Å; L158-T193 VanDerWaalsContact CD2-CG2 3.46Å; L158-V194 HydrophobicContact CD1-CG2 4.08Å; L158-V194 HydrophobicContact CD2-CG2 3.65Å; L158-V194 HydrophobicContact CG-CG2 4.48Å
159E74.9Confident88.8Confident126 Ų12639 Ų3959%0.58923%0.227SC*.  trans-99.4-3.9-177.8-58.6-171.6175.300112.8
160M81.1Confident89.1Confident10 Ų1039.7 Ų39.75%0.04922%0.22CC..  trans-140.8150.7-165.4-51.8177.8-179.200111.1K100 V101 Q102 S144 L158 S162K100-M160 VanDerWaalsContact C-SD 3.55Å; K100-M160 HydrophobicContact CB-CB 4.46Å; K100-M160 HydrophobicContact CB-CE 3.99Å; K100-M160 HydrophobicContact CB-CG 3.87Å; K100-M160 HydrophobicContact CB-SD 3.64Å; K100-M160 HydrophobicContact CD-CE 4.25Å; K100-M160 HydrophobicContact CG-CE 4.39Å; V101-M160 PolarHBondContact N-SD 3.38Å; V101-M160 VanDerWaalsContact N-SD 3.38Å; Q102-M160 HydrophobicContact CB-CB 4.42Å; Q102-M160 HydrophobicContact CB-SD 3.92Å; Q102-M160 PolarHBondContact N-SD 2.96Å; S144-M160 WeakPolarHBondContact OG-CE 3.43Å; L158-M160 WeakPolarHBondContact CD1-O 3.21Å; M160-S162 VanDerWaalsContact C-N 3.33Å
161N86.6Confident89.4Confident97 Ų9742.2 Ų42.252%0.51922%0.224SC..SBendtrans-89.61.9-178.4-5914.5000112.9S195 H196N161-S195 PolarHBondContact O-N 3.43Å; N161-H196 PolarHBondContact O-N 2.89Å
162S94.9Very high89.7Confident4 Ų449 Ų493%0.02826%0.256CS..EExtended strand (participates in β ladder)trans-128.3127.3-175.9-61.60000110.1Q102 M160 H196 F436Q102-S162 PolarHBondContact N-O 3.05Å; M160-S162 VanDerWaalsContact C-N 3.33Å; S162-H196 WeakPolarHBondContact CA-O 2.86Å; S162-F436 WeakPolarHBondContact OG-CZ 3.4Å
163L96.1Very high90Very high0 Ų054 Ų540%028%0.276CS..EExtended strand (participates in β ladder)trans-130.2138.8-169-177.165.5000112.1Q102 W104 L165 V185 V194 H196 V197 A198Q102-L163 HydrophobicContact CB-CD1 4.2Å; Q102-L163 CarbonylContact O-C 3.6Å; Q102-L163 WeakPolarHBondContact O-CA 3.44Å; W104-L163 HydrophobicContact CD2-CD1 3.52Å; W104-L163 HydrophobicContact CD2-CD2 4.24Å; W104-L163 HydrophobicContact CD2-CG 4.47Å; W104-L163 VanDerWaalsContact CE2-CD1 3.46Å; W104-L163 HydrophobicContact CE3-CD1 4.01Å; W104-L163 HydrophobicContact CE3-CD2 3.85Å; W104-L163 HydrophobicContact CG-CD1 3.8Å; W104-L163 HydrophobicContact CH2-CD1 4.39Å; W104-L163 HydrophobicContact CH2-CD2 3.96Å; W104-L163 HydrophobicContact CZ2-CD1 3.95Å; W104-L163 HydrophobicContact CZ2-CD2 4.32Å; W104-L163 HydrophobicContact CZ3-CD1 4.41Å; W104-L163 HydrophobicContact CZ3-CD2 3.7Å; L163-L165 HydrophobicContact CD2-CD2 3.96Å; L163-L165 HydrophobicContact CD2-CG 4.21Å; L163-L165 HydrophobicContact CG-CD2 4.34Å; L163-L165 HydrophobicContact CG-CG 4.43Å; L163-V185 HydrophobicContact CD2-CB 4.38Å; L163-V185 HydrophobicContact CD2-CG1 3.88Å; L163-V185 HydrophobicContact CD2-CG2 3.5Å; L163-V185 VanDerWaalsContact CD2-CG2 3.5Å; L163-V194 HydrophobicContact CB-CG1 4.05Å; L163-H196 PolarHBondContact N-O 2.76Å; L163-V197 CarbonylContact O-C 3.55Å; L163-V197 WeakPolarHBondContact O-CA 3.32Å; L163-A198 PolarHBondContact O-N 2.85Å
164V98Very high90.4Very high0 Ų055.4 Ų55.40%028%0.281CS..EExtended strand (participates in β ladder)trans-116.3117.9168.5-174.50000108.8V101 Q102 I103 W104 A198 V200 F427 I431V101-V164 HydrophobicContact CG1-CG2 3.61Å; Q102-V164 PolarHBondContact O-N 3.09Å; I103-V164 CarbonylContact C-O 3.45Å; I103-V164 WeakPolarHBondContact CA-O 3.33Å; I103-V164 HydrophobicContact CB-CB 4.38Å; I103-V164 HydrophobicContact CG1-CB 4.05Å; I103-V164 HydrophobicContact CG1-CG2 4.26Å; I103-V164 HydrophobicContact CG2-CB 4.2Å; I103-V164 HydrophobicContact CG2-CG1 4.39Å; W104-V164 PolarHBondContact N-O 3.25Å; V164-A198 CarbonylContact C-O 3.54Å; V164-A198 WeakPolarHBondContact CA-O 3.42Å; V164-A198 HydrophobicContact CG1-CB 4.38Å; V164-A198 HydrophobicContact CG2-CB 4.21Å; V164-V200 HydrophobicContact CG1-CG2 3.94Å; V164-F427 HydrophobicContact CG1-CZ 4.2Å; V164-F427 HydrophobicContact CG2-CZ 4.26Å; V164-I431 HydrophobicContact CG2-CD1 4.07Å
165L97.6Very high91.2Very high0 Ų053.2 Ų53.20%026%0.256CS..EExtended strand (participates in β ladder)trans-95.1133.3174.3-69178.1000110.7W104 L163 L167 W181 L182 V185 A198 V199 V200W104-L165 HydrophobicContact CB-CD2 4.11Å; W104-L165 HydrophobicContact CD2-CD2 4.29Å; W104-L165 HydrophobicContact CE3-CD2 3.58Å; W104-L165 HydrophobicContact CZ3-CD2 4.36Å; L163-L165 HydrophobicContact CD2-CD2 3.96Å; L163-L165 HydrophobicContact CD2-CG 4.21Å; L163-L165 HydrophobicContact CG-CD2 4.34Å; L163-L165 HydrophobicContact CG-CG 4.43Å; L165-L167 HydrophobicContact CB-CD1 4.4Å; L165-L167 HydrophobicContact CB-CD2 4.31Å; L165-L167 HydrophobicContact CB-CG 4.12Å; L165-L167 HydrophobicContact CD1-CD1 4.48Å; L165-W181 HydrophobicContact CD2-CE3 4.45Å; L165-L182 HydrophobicContact CD1-CD2 3.97Å; L165-V185 HydrophobicContact CD1-CB 4.2Å; L165-V185 HydrophobicContact CD1-CG2 3.79Å; L165-V185 HydrophobicContact CD2-CG2 4.02Å; L165-V185 HydrophobicContact CG-CG2 4.25Å; L165-A198 PolarHBondContact N-O 3.35Å; L165-V199 HydrophobicContact CB-CG2 4.35Å; L165-V199 CarbonylContact O-C 3.5Å; L165-V199 VanDerWaalsContact O-CA 3.3Å; L165-V199 WeakPolarHBondContact O-CA 3.23Å; L165-V200 PolarHBondContact O-N 3.2Å
166I98.1Very high91.8Very high0 Ų049 Ų490%024%0.243CC..EExtended strand (participates in β ladder)trans-109.6109.4174.1-47.9-175.7000109.1I103 W104 K106 A107 I109 L113 F145 V200I103-I166 HydrophobicContact CG2-CD1 3.61Å; I103-I166 HydrophobicContact CG2-CG1 3.97Å; W104-I166 PolarHBondContact O-N 3.25Å; K106-I166 CarbonylContact C-O 3.56Å; K106-I166 WeakPolarHBondContact CA-O 3.42Å; K106-I166 WeakPolarHBondContact CB-O 3.37Å; K106-I166 PolarHBondContact N-O 3.39Å; A107-I166 HydrophobicContact CB-CG2 4.05Å; A107-I166 PolarHBondContact N-O 3.01Å; I109-I166 HydrophobicContact CG2-CG2 3.53Å; L113-I166 HydrophobicContact CB-CD1 4.48Å; L113-I166 HydrophobicContact CD2-CD1 3.66Å; F145-I166 HydrophobicContact CE2-CD1 4.09Å; I166-V200 CarbonylContact C-O 3.17Å; I166-V200 WeakPolarHBondContact CA-O 3.38Å; I166-V200 HydrophobicContact CG1-CB 4.22Å; I166-V200 HydrophobicContact CG1-CG2 4.49Å; I166-V200 HydrophobicContact CG2-CB 4.26Å; I166-V200 HydrophobicContact CG2-CG1 4.47Å
167L97.8Very high92.3Very high0 Ų052.1 Ų52.10%025%0.254CS..EExtended strand (participates in β ladder)trans-116.7160.9-166.8-60.4-178.9000112.4A107 L165 W181 L182 V199 V200 L201 L202A107-L167 WeakPolarHBondContact CB-O 3.46Å; L165-L167 HydrophobicContact CB-CD1 4.4Å; L165-L167 HydrophobicContact CB-CD2 4.31Å; L165-L167 HydrophobicContact CB-CG 4.12Å; L165-L167 HydrophobicContact CD1-CD1 4.48Å; L167-W181 HydrophobicContact CD2-CB 4.03Å; L167-W181 HydrophobicContact CD2-CG 4.47Å; L167-L182 HydrophobicContact CD1-CD1 4.13Å; L167-L182 HydrophobicContact CD1-CD2 3.84Å; L167-L182 HydrophobicContact CD1-CG 3.85Å; L167-V199 HydrophobicContact CB-CG1 4.47Å; L167-V199 HydrophobicContact CD1-CG1 3.91Å; L167-V199 HydrophobicContact CD1-CG2 4.49Å; L167-V199 HydrophobicContact CG-CG1 4.26Å; L167-V200 PolarHBondContact N-O 2.81Å; L167-L201 HydrophobicContact CB-CD1 4.11Å; L167-L202 PolarHBondContact O-N 2.99Å
168N96.4Very high93.1Very high28 Ų2849.6 Ų49.615%0.1524%0.237CC..EExtended strand (participates in β ladder)trans-121.6113.9178.6-173.2-23.2000109.4A107 R170 K174 S178A107-N168 HydrophobicContact CB-CB 3.94Å; N168-R170 WeakPolarHBondContact OD1-CB 3.39Å; N168-R170 PolarHBondContact OD1-N 3.4Å; N168-K174 HydrophobicContact CB-CB 4.16Å; N168-K174 CarbonylContact O-C 3.42Å; N168-K174 VanDerWaalsContact O-CB 3.23Å; N168-K174 WeakPolarHBondContact O-CB 3.16Å; N168-K174 VanDerWaalsContact O-O 3.06Å; N168-S178 PolarHBondContact N-OG 3.4Å; N168-S178 PolarHBondContact O-OG 3.06Å
169G95.6Very high93.7Very high2 Ų248.8 Ų48.82%0.02123%0.234CC..  trans-109.915.717800000113.6E171 L202G169-E171 PolarHBondContact O-N 3.45Å; G169-L202 WeakPolarHBondContact CA-O 3.46Å; G169-L202 PolarHBondContact N-O 3.02Å
170R93.4Very high94.7Very high97 Ų9750.1 Ų50.137%0.36623%0.234SC..SBendtrans-61.7-41-172.3-167.2-169.8177-171.40.3113.3N168 N204 E205N168-R170 WeakPolarHBondContact OD1-CB 3.39Å; N168-R170 PolarHBondContact OD1-N 3.4Å; R170-N204 PolarHBondContact O-ND2 2.94Å; R170-E205 WeakPolarHBondContact CG-OE2 3.17Å; R170-E205 IonicContact CZ-OE1 3.61Å; R170-E205 IonicContact NE-OE1 3.84Å; R170-E205 PolarHBondContact NE-OE1 2.84Å; R170-E205 IonicContact NE-OE2 3.96Å; R170-E205 PolarHBondContact NE-OE2 2.89Å; R170-E205 IonicContact NH2-OE1 3.7Å; R170-E205 PolarHBondContact NH2-OE1 3.21Å
171E93.1Very high95.4Very high93 Ų9349.6 Ų49.644%0.43523%0.231SC..SBendtrans-140.7158.9-17564.7-173.7176.800110.9G169 Q173 K174 V175G169-E171 PolarHBondContact O-N 3.45Å; E171-Q173 VanDerWaalsContact C-N 3.29Å; E171-Q173 PolarHBondContact O-N 2.9Å; E171-Q173 VanDerWaalsContact O-N 3.15Å; E171-K174 HydrophobicContact CG-CB 4.01Å; E171-K174 HydrophobicContact CG-CG 3.4Å; E171-K174 VanDerWaalsContact CG-CG 3.4Å; E171-K174 WeakPolarHBondContact O-CA 3.45Å; E171-K174 WeakPolarHBondContact O-CB 3.45Å; E171-K174 PolarHBondContact O-N 2.83Å; E171-K174 WeakPolarHBondContact OE1-CE 3.28Å; E171-K174 WeakPolarHBondContact OE1-CG 3.48Å; E171-V175 PolarHBondContact O-N 3.32Å
172Q93.5Very high95.9Very high142 Ų14245 Ų4566%0.66421%0.207SC*.Hα-helixtrans-54.3-40.9-171.8-170.661.921.100113.7K174 V175 S176Q172-K174 VanDerWaalsContact C-N 3.3Å; Q172-K174 PolarHBondContact O-N 3.38Å; Q172-V175 WeakPolarHBondContact O-CB 3.35Å; Q172-V175 PolarHBondContact O-N 3.02Å; Q172-S176 PolarHBondContact O-N 3.29Å; Q172-S176 PolarHBondContact O-OG 2.81Å
173Q94.4Very high95.9Very high157 Ų15750 Ų5073%0.73423%0.229SC*.Hα-helixtrans-64.1-36.1177.9-65.5-177.30.800112.2E171 Y177E171-Q173 VanDerWaalsContact C-N 3.29Å; E171-Q173 PolarHBondContact O-N 2.9Å; E171-Q173 VanDerWaalsContact O-N 3.15Å; Q173-Y177 PolarHBondContact O-N 2.8Å; Q173-Y177 VanDerWaalsContact O-N 3.1Å
174K95.3Very high95.9Very high87 Ų8752.1 Ų52.138%0.37824%0.239SC..Hα-helixtrans-74.3-35.8176.8-58-66.4178.3-170.80111.2N168 E171 Q172 Y177 S178N168-K174 HydrophobicContact CB-CB 4.16Å; N168-K174 CarbonylContact O-C 3.42Å; N168-K174 VanDerWaalsContact O-CB 3.23Å; N168-K174 WeakPolarHBondContact O-CB 3.16Å; N168-K174 VanDerWaalsContact O-O 3.06Å; E171-K174 HydrophobicContact CG-CB 4.01Å; E171-K174 HydrophobicContact CG-CG 3.4Å; E171-K174 VanDerWaalsContact CG-CG 3.4Å; E171-K174 WeakPolarHBondContact O-CA 3.45Å; E171-K174 WeakPolarHBondContact O-CB 3.45Å; E171-K174 PolarHBondContact O-N 2.83Å; E171-K174 WeakPolarHBondContact OE1-CE 3.28Å; E171-K174 WeakPolarHBondContact OE1-CG 3.48Å; Q172-K174 VanDerWaalsContact C-N 3.3Å; Q172-K174 PolarHBondContact O-N 3.38Å; K174-Y177 PolarHBondContact O-N 3.42Å; K174-S178 WeakPolarHBondContact O-CB 3.2Å; K174-S178 PolarHBondContact O-N 3.22Å; K174-S178 PolarHBondContact O-OG 2.98Å
175V96.8Very high95.8Very high12 Ų1252.1 Ų52.17%0.07324%0.239CC..Hα-helixtrans-59-49.7170.9173.30000110.5E171 Q172 Y177 S178 T179 W211E171-V175 PolarHBondContact O-N 3.32Å; Q172-V175 WeakPolarHBondContact O-CB 3.35Å; Q172-V175 PolarHBondContact O-N 3.02Å; V175-Y177 VanDerWaalsContact C-N 3.31Å; V175-Y177 PolarHBondContact O-N 3.4Å; V175-S178 PolarHBondContact O-N 2.95Å; V175-T179 WeakPolarHBondContact O-CB 3.48Å; V175-T179 PolarHBondContact O-N 2.92Å; V175-T179 PolarHBondContact O-OG1 3.17Å; V175-W211 HydrophobicContact CB-CD2 4.49Å; V175-W211 HydrophobicContact CG1-CB 4.07Å; V175-W211 HydrophobicContact CG1-CD2 3.57Å; V175-W211 HydrophobicContact CG1-CE3 3.91Å; V175-W211 HydrophobicContact CG1-CG 3.62Å; V175-W211 HydrophobicContact CG2-CD2 4.31Å; V175-W211 HydrophobicContact CG2-CG 4.35Å; V175-W211 HydrophobicContact CG2-CZ2 4.37Å
176S95.9Very high95.7Very high55 Ų5555.4 Ų55.439%0.38526%0.255SS..Hα-helixtrans-59.5-40.8177-580000112.4Q172 R180Q172-S176 PolarHBondContact O-N 3.29Å; Q172-S176 PolarHBondContact O-OG 2.81Å; S176-R180 PolarHBondContact O-N 3.15Å
177Y95.3Very high95.6Very high79 Ų7957.8 Ų57.831%0.3127%0.274SS..Hα-helixtrans-65.6-44.2175.6-178.3-99.8000112.6K106 Q173 K174 V175 T179 R180 W181K106-Y177 HydrophobicContact CB-CE1 4.33Å; K106-Y177 WeakPolarHBondContact CE-OH 3.26Å; Q173-Y177 PolarHBondContact O-N 2.8Å; Q173-Y177 VanDerWaalsContact O-N 3.1Å; K174-Y177 PolarHBondContact O-N 3.42Å; V175-Y177 VanDerWaalsContact C-N 3.31Å; V175-Y177 PolarHBondContact O-N 3.4Å; Y177-T179 VanDerWaalsContact C-N 3.33Å; Y177-T179 PolarHBondContact O-N 2.99Å; Y177-R180 PolarHBondContact O-N 3.01Å; Y177-W181 AromaticContact CE1-CD1 3.66Å; Y177-W181 AromaticContact CE1-NE1 3.33Å; Y177-W181 VanDerWaalsContact CE1-NE1 3.33Å; Y177-W181 AromaticContact CZ-CD1 3.94Å; Y177-W181 AromaticContact CZ-NE1 3.25Å; Y177-W181 VanDerWaalsContact CZ-NE1 3.25Å; Y177-W181 PolarHBondContact OH-NE1 3Å; Y177-W181 VanDerWaalsContact OH-NE1 3.12Å
178S96.8Very high95.4Very high2 Ų259.2 Ų59.21%0.01428%0.282CS..Hα-helixtrans-65.2-36.2178.6-65.20000112.1N168 K174 V175 R180 W181 L182N168-S178 PolarHBondContact N-OG 3.4Å; N168-S178 PolarHBondContact O-OG 3.06Å; K174-S178 WeakPolarHBondContact O-CB 3.2Å; K174-S178 PolarHBondContact O-N 3.22Å; K174-S178 PolarHBondContact O-OG 2.98Å; V175-S178 PolarHBondContact O-N 2.95Å; S178-R180 VanDerWaalsContact C-N 3.34Å; S178-R180 PolarHBondContact O-N 2.82Å; S178-W181 WeakPolarHBondContact O-CB 3.3Å; S178-W181 PolarHBondContact O-N 3.39Å; S178-W181 VanDerWaalsContact O-N 3.12Å; S178-L182 PolarHBondContact O-N 3.39Å; S178-L182 VanDerWaalsContact O-N 3.12Å
179T96.3Very high95.3Very high33 Ų3359.5 Ų59.520%0.20229%0.285CS..Hα-helixtrans-62.7-39.8177.5-53.30000111.4V175 Y177 W181 L182 E183V175-T179 WeakPolarHBondContact O-CB 3.48Å; V175-T179 PolarHBondContact O-N 2.92Å; V175-T179 PolarHBondContact O-OG1 3.17Å; Y177-T179 VanDerWaalsContact C-N 3.33Å; Y177-T179 PolarHBondContact O-N 2.99Å; T179-W181 PolarHBondContact O-N 2.74Å; T179-L182 WeakPolarHBondContact O-CA 3.5Å; T179-L182 WeakPolarHBondContact O-CB 3.35Å; T179-L182 PolarHBondContact O-N 3.26Å; T179-E183 HydrophobicContact CG2-CG 4.47Å; T179-E183 WeakPolarHBondContact O-CG 3.4Å; T179-E183 PolarHBondContact O-N 2.95Å
180R95.4Very high95.3Very high154 Ų15466.1 Ų66.158%0.58132%0.315SS*.Hα-helixtrans-61.6-31.7174.7-66.6175.9-174.7170.81.5113.3S176 Y177 S178 H184S176-R180 PolarHBondContact O-N 3.15Å; Y177-R180 PolarHBondContact O-N 3.01Å; S178-R180 VanDerWaalsContact C-N 3.34Å; S178-R180 PolarHBondContact O-N 2.82Å; R180-H184 WeakPolarHBondContact O-CB 3.08Å; R180-H184 PolarHBondContact O-N 3.09Å; R180-H184 VanDerWaalsContact O-N 3.17Å
181W96.3Very high95.3Very high0 Ų064.7 Ų64.70%032%0.32CS..Hα-helixtrans-70.5-40.4172.9-81.397.1000111.7W104 K106 V151 Q153 V156 L165 L167 Y177 S178 T179 H184 V185W104-W181 HydrophobicContact CD2-CZ3 4.35Å; W104-W181 AromaticContact CE3-CE3 3.86Å; W104-W181 HydrophobicContact CE3-CE3 3.86Å; W104-W181 AromaticContact CE3-CZ3 3.48Å; W104-W181 HydrophobicContact CE3-CZ3 3.48Å; W104-W181 VanDerWaalsContact CE3-CZ3 3.48Å; W104-W181 HydrophobicContact CZ3-CE3 4.2Å; W104-W181 AromaticContact CZ3-CZ3 3.85Å; W104-W181 HydrophobicContact CZ3-CZ3 3.85Å; K106-W181 HydrophobicContact CD-CH2 4.14Å; K106-W181 HydrophobicContact CD-CZ2 3.54Å; K106-W181 HydrophobicContact CG-CD2 4.11Å; K106-W181 HydrophobicContact CG-CH2 4.43Å; K106-W181 HydrophobicContact CG-CZ2 3.82Å; V151-W181 HydrophobicContact CG1-CH2 4.27Å; V151-W181 VanDerWaalsContact O-CZ2 3.3Å; V151-W181 WeakPolarHBondContact O-CZ2 3.49Å; Q153-W181 HydrophobicContact CG-CD2 3.92Å; Q153-W181 HydrophobicContact CG-CE3 3.87Å; Q153-W181 HydrophobicContact CG-CH2 4.2Å; Q153-W181 HydrophobicContact CG-CZ2 4.23Å; Q153-W181 HydrophobicContact CG-CZ3 4.01Å; V156-W181 HydrophobicContact CG2-CH2 4.45Å; L165-W181 HydrophobicContact CD2-CE3 4.45Å; L167-W181 HydrophobicContact CD2-CB 4.03Å; L167-W181 HydrophobicContact CD2-CG 4.47Å; Y177-W181 AromaticContact CE1-CD1 3.66Å; Y177-W181 AromaticContact CE1-NE1 3.33Å; Y177-W181 VanDerWaalsContact CE1-NE1 3.33Å; Y177-W181 AromaticContact CZ-CD1 3.94Å; Y177-W181 AromaticContact CZ-NE1 3.25Å; Y177-W181 VanDerWaalsContact CZ-NE1 3.25Å; Y177-W181 PolarHBondContact OH-NE1 3Å; Y177-W181 VanDerWaalsContact OH-NE1 3.12Å; S178-W181 WeakPolarHBondContact O-CB 3.3Å; S178-W181 PolarHBondContact O-N 3.39Å; S178-W181 VanDerWaalsContact O-N 3.12Å; T179-W181 PolarHBondContact O-N 2.74Å; W181-H184 PolarHBondContact O-N 3.11Å; W181-V185 WeakPolarHBondContact O-CG2 3.42Å; W181-V185 PolarHBondContact O-N 3.03Å
182L97Very high95.2Very high0 Ų066.9 Ų66.90%033%0.334CS..Hα-helixtrans-63.9-44.5175.1-66.9167.9000111.5L165 L167 S178 T179 H184 V185 Q186 V199 W211 I212 F222 V223L165-L182 HydrophobicContact CD1-CD2 3.97Å; L167-L182 HydrophobicContact CD1-CD1 4.13Å; L167-L182 HydrophobicContact CD1-CD2 3.84Å; L167-L182 HydrophobicContact CD1-CG 3.85Å; S178-L182 PolarHBondContact O-N 3.39Å; S178-L182 VanDerWaalsContact O-N 3.12Å; T179-L182 WeakPolarHBondContact O-CA 3.5Å; T179-L182 WeakPolarHBondContact O-CB 3.35Å; T179-L182 PolarHBondContact O-N 3.26Å; L182-H184 VanDerWaalsContact C-N 3.33Å; L182-H184 PolarHBondContact O-N 3.12Å; L182-V185 PolarHBondContact O-N 2.77Å; L182-Q186 WeakPolarHBondContact O-CB 3.48Å; L182-Q186 PolarHBondContact O-N 3.08Å; L182-V199 HydrophobicContact CD2-CG2 4.13Å; L182-W211 HydrophobicContact CD1-CZ3 3.73Å; L182-I212 HydrophobicContact CD1-CD1 3.38Å; L182-I212 HydrophobicContact CD2-CD1 4.27Å; L182-I212 HydrophobicContact CG-CD1 4.47Å; L182-F222 HydrophobicContact CB-CZ 4.19Å; L182-F222 HydrophobicContact CD2-CZ 4.14Å; L182-F222 VanDerWaalsContact O-CZ 3.22Å; L182-F222 WeakPolarHBondContact O-CZ 3.44Å; L182-V223 HydrophobicContact CD2-CG2 4.23Å
183E96.1Very high95.1Very high108 Ų10862.9 Ų62.951%0.50532%0.32SS..Hα-helixtrans-58.2-44.1175.3-71166.8178.800111.8T179 Q186 A187T179-E183 HydrophobicContact CG2-CG 4.47Å; T179-E183 WeakPolarHBondContact O-CG 3.4Å; T179-E183 PolarHBondContact O-N 2.95Å; E183-Q186 WeakPolarHBondContact O-CB 3.32Å; E183-Q186 PolarHBondContact O-N 3.01Å; E183-A187 PolarHBondContact O-N 2.75Å; E183-A187 VanDerWaalsContact O-N 3.1Å
184H95.4Very high95Very high45 Ų4555.5 Ų55.521%0.20829%0.285CS..Hα-helixtrans-62.5-45.8176.617858.3000112.1Q153 G154 R180 W181 L182 Q186 A187 L188Q153-H184 HydrophobicContact CB-CB 4.17Å; Q153-H184 HydrophobicContact CG-CB 3.77Å; G154-H184 PolarHBondContact N-CE1 3.41Å; G154-H184 PolarHBondContact N-NE2 3.28Å; G154-H184 VanDerWaalsContact N-NE2 3.12Å; R180-H184 WeakPolarHBondContact O-CB 3.08Å; R180-H184 PolarHBondContact O-N 3.09Å; R180-H184 VanDerWaalsContact O-N 3.17Å; W181-H184 PolarHBondContact O-N 3.11Å; L182-H184 VanDerWaalsContact C-N 3.33Å; L182-H184 PolarHBondContact O-N 3.12Å; H184-Q186 VanDerWaalsContact C-N 3.34Å; H184-A187 WeakPolarHBondContact O-CB 3.41Å; H184-A187 PolarHBondContact O-N 3.41Å; H184-L188 WeakPolarHBondContact O-CG 3.17Å; H184-L188 PolarHBondContact O-N 3.35Å
185V95.6Very high94.8Very high0 Ų054.5 Ų54.50%029%0.289CS..Hα-helixtrans-69-34.4178.3173.60000111.7W104 L163 L165 W181 L182 A187 L188 V189 V197 F222W104-V185 HydrophobicContact CE3-CG2 4.46Å; W104-V185 HydrophobicContact CZ3-CG2 3.85Å; L163-V185 HydrophobicContact CD2-CB 4.38Å; L163-V185 HydrophobicContact CD2-CG1 3.88Å; L163-V185 HydrophobicContact CD2-CG2 3.5Å; L163-V185 VanDerWaalsContact CD2-CG2 3.5Å; L165-V185 HydrophobicContact CD1-CB 4.2Å; L165-V185 HydrophobicContact CD1-CG2 3.79Å; L165-V185 HydrophobicContact CD2-CG2 4.02Å; L165-V185 HydrophobicContact CG-CG2 4.25Å; W181-V185 WeakPolarHBondContact O-CG2 3.42Å; W181-V185 PolarHBondContact O-N 3.03Å; L182-V185 PolarHBondContact O-N 2.77Å; V185-A187 VanDerWaalsContact C-N 3.27Å; V185-A187 PolarHBondContact O-N 3.13Å; V185-L188 CarbonylContact O-C 3.55Å; V185-L188 WeakPolarHBondContact O-CA 3.49Å; V185-L188 WeakPolarHBondContact O-CB 3.16Å; V185-L188 PolarHBondContact O-N 2.92Å; V185-V189 HydrophobicContact CG1-CG2 4.36Å; V185-V189 WeakPolarHBondContact O-CG2 3.2Å; V185-V189 PolarHBondContact O-N 2.86Å; V185-V197 HydrophobicContact CG1-CG1 4.1Å; V185-V197 HydrophobicContact CG1-CG2 3.67Å; V185-F222 HydrophobicContact CB-CE2 4.19Å; V185-F222 HydrophobicContact CG1-CD2 4.4Å; V185-F222 HydrophobicContact CG1-CE2 3.75Å
186Q95.9Very high94.8Very high70 Ų7056.3 Ų56.333%0.32730%0.297SS..Hα-helixtrans-57.9-42.9173-169.7171.96.700111.3L182 E183 H184 L188 V189 Q190 F222L182-Q186 WeakPolarHBondContact O-CB 3.48Å; L182-Q186 PolarHBondContact O-N 3.08Å; E183-Q186 WeakPolarHBondContact O-CB 3.32Å; E183-Q186 PolarHBondContact O-N 3.01Å; H184-Q186 VanDerWaalsContact C-N 3.34Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 2.78Å; Q186-V189 PolarHBondContact O-N 3.09Å; Q186-Q190 VanDerWaalsContact O-CG 3.31Å; Q186-Q190 WeakPolarHBondContact O-CG 3.45Å; Q186-Q190 PolarHBondContact O-N 2.76Å; Q186-F222 HydrophobicContact CB-CD1 3.88Å; Q186-F222 HydrophobicContact CB-CE1 3.47Å; Q186-F222 VanDerWaalsContact CB-CE1 3.47Å; Q186-F222 HydrophobicContact CB-CZ 3.87Å; Q186-F222 HydrophobicContact CG-CD1 3.69Å; Q186-F222 HydrophobicContact CG-CE1 3.74Å; Q186-F222 HydrophobicContact CG-CG 4.49Å
187A94.9Very high94.9Very high49 Ų4953.7 Ų53.741%0.40528%0.279SS..Hα-helixtrans-62.5-39174.800000112E183 H184 V185 V189 Q190 S191E183-A187 PolarHBondContact O-N 2.75Å; E183-A187 VanDerWaalsContact O-N 3.1Å; H184-A187 WeakPolarHBondContact O-CB 3.41Å; H184-A187 PolarHBondContact O-N 3.41Å; V185-A187 VanDerWaalsContact C-N 3.27Å; V185-A187 PolarHBondContact O-N 3.13Å; A187-V189 VanDerWaalsContact C-N 3.34Å; A187-Q190 PolarHBondContact O-N 2.97Å; A187-S191 PolarHBondContact O-N 3.42Å; A187-S191 PolarHBondContact O-OG 3.07Å
188L94.4Very high95Very high30 Ų3049.9 Ų49.916%0.15726%0.264CS..Hα-helixtrans-67-32.9175.6-65173.2000113.1W104 L158 H184 V185 Q186 S191 N192 T193 V194W104-L188 HydrophobicContact CH2-CD1 3.99Å; L158-L188 HydrophobicContact CD2-CD1 4.28Å; L158-L188 HydrophobicContact CD2-CD2 4.46Å; H184-L188 WeakPolarHBondContact O-CG 3.17Å; H184-L188 PolarHBondContact O-N 3.35Å; V185-L188 CarbonylContact O-C 3.55Å; V185-L188 WeakPolarHBondContact O-CA 3.49Å; V185-L188 WeakPolarHBondContact O-CB 3.16Å; V185-L188 PolarHBondContact O-N 2.92Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 2.78Å; L188-S191 WeakPolarHBondContact CA-OG 3.49Å; L188-S191 PolarHBondContact O-OG 2.8Å; L188-S191 VanDerWaalsContact O-OG 3.08Å; L188-N192 PolarHBondContact O-N 2.93Å; L188-T193 PolarHBondContact O-N 3.34Å; L188-V194 HydrophobicContact CB-CB 4.38Å; L188-V194 HydrophobicContact CB-CG2 3.93Å; L188-V194 HydrophobicContact CD1-CG2 4.38Å; L188-V194 PolarHBondContact O-N 3.06Å; L188-V194 VanDerWaalsContact O-N 3.14Å
189V94.7Very high95.1Very high35 Ų3549.8 Ų49.821%0.21226%0.263CS..Hα-helixtrans-70.8-43.7173.2174.30000110.3V185 Q186 A187 S191 N192 V194 V197 F222V185-V189 HydrophobicContact CG1-CG2 4.36Å; V185-V189 WeakPolarHBondContact O-CG2 3.2Å; V185-V189 PolarHBondContact O-N 2.86Å; Q186-V189 PolarHBondContact O-N 3.09Å; A187-V189 VanDerWaalsContact C-N 3.34Å; V189-S191 VanDerWaalsContact C-N 3.27Å; V189-S191 PolarHBondContact O-N 2.81Å; V189-N192 WeakPolarHBondContact O-CA 3.3Å; V189-N192 PolarHBondContact O-N 3.27Å; V189-V194 WeakPolarHBondContact CA-O 3.42Å; V189-V194 HydrophobicContact CG2-CB 4.1Å; V189-V194 HydrophobicContact CG2-CG1 4.19Å; V189-V197 HydrophobicContact CG2-CG2 3.79Å; V189-F222 HydrophobicContact CG1-CB 4.22Å; V189-F222 HydrophobicContact CG2-CD2 4.01Å
190Q94.2Very high95.2Very high140 Ų14048.2 Ų48.265%0.65425%0.254SS*.Hα-helixtrans-63-32.6176.2-72.8172.8-5.400112.7Q186 A187 N192Q186-Q190 VanDerWaalsContact O-CG 3.31Å; Q186-Q190 WeakPolarHBondContact O-CG 3.45Å; Q186-Q190 PolarHBondContact O-N 2.76Å; A187-Q190 PolarHBondContact O-N 2.97Å; Q190-N192 PolarHBondContact O-N 3.48Å
191S93.2Very high95.3Very high68 Ų6840.9 Ų40.948%0.47623%0.226SC..THydrogen-bonded Turntrans-81.48.2172.965.60000113.9A187 L188 V189 T193A187-S191 PolarHBondContact O-N 3.42Å; A187-S191 PolarHBondContact O-OG 3.07Å; L188-S191 WeakPolarHBondContact CA-OG 3.49Å; L188-S191 PolarHBondContact O-OG 2.8Å; L188-S191 VanDerWaalsContact O-OG 3.08Å; V189-S191 VanDerWaalsContact C-N 3.27Å; V189-S191 PolarHBondContact O-N 2.81Å; S191-T193 PolarHBondContact O-N 3.11Å; S191-T193 VanDerWaalsContact O-N 3.1Å; S191-T193 PolarHBondContact O-OG1 3.17Å; S191-T193 PolarHBondContact OG-OG1 3Å
192N90.9Very high95.4Very high138 Ų13841.3 Ų41.374%0.73823%0.228SC*.THydrogen-bonded Turntrans54.524.2-176.9-61-54.7000114.2L188 V189 Q190L188-N192 PolarHBondContact O-N 2.93Å; V189-N192 WeakPolarHBondContact O-CA 3.3Å; V189-N192 PolarHBondContact O-N 3.27Å; Q190-N192 PolarHBondContact O-N 3.48Å
193T91.3Very high95.3Very high59 Ų5941.3 Ų41.336%0.36223%0.228SC..SBendtrans-84.8-35.9177.9-43.50000110.7L158 L188 S191L158-T193 HydrophobicContact CD2-CG2 3.46Å; L158-T193 VanDerWaalsContact CD2-CG2 3.46Å; L188-T193 PolarHBondContact O-N 3.34Å; S191-T193 PolarHBondContact O-N 3.11Å; S191-T193 VanDerWaalsContact O-N 3.1Å; S191-T193 PolarHBondContact O-OG1 3.17Å; S191-T193 PolarHBondContact OG-OG1 3Å
194V93.1Very high95.2Very high1 Ų137.6 Ų37.61%0.00621%0.212CC..  trans-113.4130.2171.6178.70000108.6L158 L163 L188 V189 H196 V197L158-V194 HydrophobicContact CD1-CG2 4.08Å; L158-V194 HydrophobicContact CD2-CG2 3.65Å; L158-V194 HydrophobicContact CG-CG2 4.48Å; L163-V194 HydrophobicContact CB-CG1 4.05Å; L188-V194 HydrophobicContact CB-CB 4.38Å; L188-V194 HydrophobicContact CB-CG2 3.93Å; L188-V194 HydrophobicContact CD1-CG2 4.38Å; L188-V194 PolarHBondContact O-N 3.06Å; L188-V194 VanDerWaalsContact O-N 3.14Å; V189-V194 WeakPolarHBondContact CA-O 3.42Å; V189-V194 HydrophobicContact CG2-CB 4.1Å; V189-V194 HydrophobicContact CG2-CG1 4.19Å; V194-H196 WeakPolarHBondContact CG1-O 3.23Å; V194-V197 HydrophobicContact CG1-CG2 3.66Å
195S92.3Very high95Very high66 Ų6636.3 Ų36.346%0.46221%0.206SC..  trans-100.7-30179.3-530000112.7N161N161-S195 PolarHBondContact O-N 3.43Å
196H95.6Very high94.8Very high50 Ų5040.6 Ų40.623%0.23123%0.226CC..EExtended strand (participates in β ladder)trans-134.8135.4-174.5-61.1-67.9000112N161 S162 L163 V194 D224 F435N161-H196 PolarHBondContact O-N 2.89Å; S162-H196 WeakPolarHBondContact CA-O 2.86Å; L163-H196 PolarHBondContact N-O 2.76Å; V194-H196 WeakPolarHBondContact CG1-O 3.23Å; H196-D224 VanDerWaalsContact CA-OD2 3.28Å; H196-D224 WeakPolarHBondContact CA-OD2 3.29Å; H196-D224 IonicContact ND1-OD2 3.04Å; H196-F435 HydrophobicContact CB-CB 4.16Å; H196-F435 HydrophobicContact CB-CD1 3.53Å; H196-F435 HydrophobicContact CB-CD2 3.76Å; H196-F435 HydrophobicContact CB-CE1 3.68Å; H196-F435 HydrophobicContact CB-CE2 3.9Å; H196-F435 HydrophobicContact CB-CG 3.55Å; H196-F435 HydrophobicContact CB-CZ 3.84Å; H196-F435 PolarHBondContact CD2-O 2.91Å; H196-F435 AromaticContact CG-CD1 3.97Å; H196-F435 AromaticContact CG-CG 3.94Å; H196-F435 PolarHBondContact NE2-O 2.86Å; H196-F435 VanDerWaalsContact NE2-O 3.15Å
197V97.6Very high94.6Very high0 Ų037.8 Ų37.80%021%0.214CC..EExtended strand (participates in β ladder)trans-134.7126.8-176.4-176.10000111.3L163 V185 V189 V194 F222 V223 D224 L225L163-V197 CarbonylContact O-C 3.55Å; L163-V197 WeakPolarHBondContact O-CA 3.32Å; V185-V197 HydrophobicContact CG1-CG1 4.1Å; V185-V197 HydrophobicContact CG1-CG2 3.67Å; V189-V197 HydrophobicContact CG2-CG2 3.79Å; V194-V197 HydrophobicContact CG1-CG2 3.66Å; V197-F222 HydrophobicContact CB-CD2 4.19Å; V197-F222 HydrophobicContact CB-CE2 4.46Å; V197-F222 HydrophobicContact CG1-CD2 4.33Å; V197-F222 HydrophobicContact CG1-CE2 4.11Å; V197-F222 HydrophobicContact CG2-CD2 3.99Å; V197-F222 HydrophobicContact CG2-CE2 4.33Å; V197-V223 HydrophobicContact CG1-CG2 4.25Å; V197-D224 PolarHBondContact N-OD2 3.43Å; V197-D224 WeakPolarHBondContact O-CB 3.43Å; V197-D224 PolarHBondContact O-N 3.35Å; V197-L225 PolarHBondContact O-N 3.22Å
198A98.3Very high94.5Very high0 Ų038.4 Ų38.40%021%0.21CC..EExtended strand (participates in β ladder)trans-116.9153.7168.300000110.3L163 V164 L165 L225 F227 I431 F435L163-A198 PolarHBondContact O-N 2.85Å; V164-A198 CarbonylContact C-O 3.54Å; V164-A198 WeakPolarHBondContact CA-O 3.42Å; V164-A198 HydrophobicContact CG1-CB 4.38Å; V164-A198 HydrophobicContact CG2-CB 4.21Å; L165-A198 PolarHBondContact N-O 3.35Å; A198-L225 CarbonylContact C-O 3.55Å; A198-L225 VanDerWaalsContact CA-O 3.32Å; A198-L225 WeakPolarHBondContact CA-O 3.36Å; A198-L225 HydrophobicContact CB-CB 3.82Å; A198-L225 HydrophobicContact CB-CD1 4.3Å; A198-F227 HydrophobicContact CB-CE2 4.41Å; A198-I431 HydrophobicContact CB-CD1 3.84Å; A198-F435 HydrophobicContact CB-CE1 4.34Å; A198-F435 HydrophobicContact CB-CZ 3.73Å
199V98.6Very high94.5Very high0 Ų037.1 Ų37.10%020%0.204CC..EExtended strand (participates in β ladder)trans-125.5129.3176.9175.10000109.7L165 L167 L182 L201 V223 L225 L226 F227L165-V199 HydrophobicContact CB-CG2 4.35Å; L165-V199 CarbonylContact O-C 3.5Å; L165-V199 VanDerWaalsContact O-CA 3.3Å; L165-V199 WeakPolarHBondContact O-CA 3.23Å; L167-V199 HydrophobicContact CB-CG1 4.47Å; L167-V199 HydrophobicContact CD1-CG1 3.91Å; L167-V199 HydrophobicContact CD1-CG2 4.49Å; L167-V199 HydrophobicContact CG-CG1 4.26Å; L182-V199 HydrophobicContact CD2-CG2 4.13Å; V199-L201 HydrophobicContact CG1-CB 4.12Å; V199-V223 HydrophobicContact CB-CG1 4.16Å; V199-V223 HydrophobicContact CG2-CB 4.47Å; V199-V223 HydrophobicContact CG2-CG1 3.65Å; V199-V223 HydrophobicContact CG2-CG2 3.92Å; V199-L225 PolarHBondContact N-O 3.48Å; V199-L226 HydrophobicContact CB-CD1 3.98Å; V199-L226 HydrophobicContact CG1-CD1 3.88Å; V199-L226 CarbonylContact O-C 3.51Å; V199-L226 WeakPolarHBondContact O-CA 3.44Å; V199-F227 PolarHBondContact O-N 2.86Å
200V98.6Very high94.5Very high0 Ų040.8 Ų40.80%022%0.222CC..EExtended strand (participates in β ladder)trans-101.6112163.5-175.10000107.7I109 L113 V164 L165 I166 L167 F227 W243 F427I109-V200 HydrophobicContact CG2-CG1 4.33Å; L113-V200 HydrophobicContact CD2-CG2 4.33Å; V164-V200 HydrophobicContact CG1-CG2 3.94Å; L165-V200 PolarHBondContact O-N 3.2Å; I166-V200 CarbonylContact C-O 3.17Å; I166-V200 WeakPolarHBondContact CA-O 3.38Å; I166-V200 HydrophobicContact CG1-CB 4.22Å; I166-V200 HydrophobicContact CG1-CG2 4.49Å; I166-V200 HydrophobicContact CG2-CB 4.26Å; I166-V200 HydrophobicContact CG2-CG1 4.47Å; L167-V200 PolarHBondContact N-O 2.81Å; V200-F227 CarbonylContact C-O 3.27Å; V200-F227 WeakPolarHBondContact CA-O 3.3Å; V200-F227 HydrophobicContact CB-CB 4.4Å; V200-F227 HydrophobicContact CG1-CB 4.33Å; V200-F227 HydrophobicContact CG2-CB 4.07Å; V200-F227 HydrophobicContact CG2-CD2 4.07Å; V200-F227 HydrophobicContact CG2-CG 4.37Å; V200-W243 HydrophobicContact CG1-CG 4.35Å; V200-F427 HydrophobicContact CG2-CE2 4.2Å
201L98.2Very high94.6Very high0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-110.9116.8-171.3177.956.5000111.5L167 V199 G203 W211 I212 L226 F227 L228 I229L167-L201 HydrophobicContact CB-CD1 4.11Å; V199-L201 HydrophobicContact CG1-CB 4.12Å; L201-G203 PolarHBondContact O-N 3.1Å; L201-W211 HydrophobicContact CD1-CH2 4.1Å; L201-W211 HydrophobicContact CD1-CZ2 3.68Å; L201-W211 HydrophobicContact CD2-CH2 4.47Å; L201-W211 HydrophobicContact CD2-CZ2 3.88Å; L201-W211 HydrophobicContact CG-CZ2 4.47Å; L201-I212 HydrophobicContact CD2-CB 4.31Å; L201-I212 HydrophobicContact CD2-CG1 4.47Å; L201-I212 HydrophobicContact CD2-CG2 4.18Å; L201-L226 HydrophobicContact CB-CD1 3.87Å; L201-L226 HydrophobicContact CD2-CD1 4.42Å; L201-F227 PolarHBondContact N-O 3.45Å; L201-L228 HydrophobicContact CB-CD1 4.07Å; L201-L228 HydrophobicContact CD2-CD1 3.87Å; L201-L228 HydrophobicContact CG-CD1 3.95Å; L201-I229 WeakPolarHBondContact O-CB 3.4Å; L201-I229 PolarHBondContact O-N 3.32Å
202L97.1Very high94.8Very high9 Ų933.3 Ų33.35%0.04718%0.177CC..EExtended strand (participates in β ladder)trans-71.896.6159.4178.662.3000108.2L167 G169 I229 Y230 L245L167-L202 PolarHBondContact O-N 2.99Å; G169-L202 WeakPolarHBondContact CA-O 3.46Å; G169-L202 PolarHBondContact N-O 3.02Å; L202-I229 HydrophobicContact CB-CD1 4.03Å; L202-I229 HydrophobicContact CD1-CB 4.33Å; L202-I229 HydrophobicContact CD1-CD1 4.11Å; L202-I229 HydrophobicContact CD1-CG2 3.96Å; L202-Y230 HydrophobicContact CD1-CE2 4.3Å; L202-L245 HydrophobicContact CD1-CD1 3.84Å
203G94.6Very high95.1Very high0 Ų027.7 Ų27.70%015%0.15CC..  trans-70.4171.2-176.300000113.8L201 N209L201-G203 PolarHBondContact O-N 3.1Å; G203-N209 VanDerWaalsContact CA-OD1 3.24Å; G203-N209 WeakPolarHBondContact CA-OD1 3.46Å
204N94.5Very high95.3Very high30 Ų3029.1 Ų29.116%0.1616%0.16CC..  trans-68.2141.2168.5179.2-90.5000110.8R170 Q206 C207 N209R170-N204 PolarHBondContact O-ND2 2.94Å; N204-Q206 PolarHBondContact O-N 3.01Å; N204-Q206 WeakPolarHBondContact OD1-CA 3.47Å; N204-Q206 VanDerWaalsContact OD1-CB 3.28Å; N204-Q206 WeakPolarHBondContact OD1-CB 3.23Å; N204-Q206 PolarHBondContact OD1-N 3.39Å; N204-C207 WeakPolarHBondContact O-CA 3.23Å; N204-C207 PolarHBondContact O-N 3.15Å; N204-N209 PolarHBondContact N-OD1 3.1Å
205E91Very high95.6Very high18 Ų1830.4 Ų30.48%0.08417%0.166CC..THydrogen-bonded Turntrans-66.3-20.2-178-64.7100.9132.800114.5R170 C207 Y230 I335 N336R170-E205 WeakPolarHBondContact CG-OE2 3.17Å; R170-E205 IonicContact CZ-OE1 3.61Å; R170-E205 IonicContact NE-OE1 3.84Å; R170-E205 PolarHBondContact NE-OE1 2.84Å; R170-E205 IonicContact NE-OE2 3.96Å; R170-E205 PolarHBondContact NE-OE2 2.89Å; R170-E205 IonicContact NH2-OE1 3.7Å; R170-E205 PolarHBondContact NH2-OE1 3.21Å; E205-C207 VanDerWaalsContact C-N 3.3Å; E205-Y230 HydrophobicContact CG-CE2 4.08Å; E205-I335 HydrophobicContact CB-CB 4.26Å; E205-I335 HydrophobicContact CB-CG2 3.6Å; E205-I335 HydrophobicContact CG-CB 4.49Å; E205-I335 HydrophobicContact CG-CG2 4.26Å; E205-N336 HydrophobicContact CB-CB 4.12Å; E205-N336 HydrophobicContact CG-CB 4.25Å; E205-N336 PolarHBondContact O-ND2 3.45Å
206Q91.9Very high95.8Very high90 Ų9027.4 Ų27.442%0.42115%0.145SC..THydrogen-bonded Turntrans-93.99.6172.1-56.3178.5-12.900111.8N204 N208 N362N204-Q206 PolarHBondContact O-N 3.01Å; N204-Q206 WeakPolarHBondContact OD1-CA 3.47Å; N204-Q206 VanDerWaalsContact OD1-CB 3.28Å; N204-Q206 WeakPolarHBondContact OD1-CB 3.23Å; N204-Q206 PolarHBondContact OD1-N 3.39Å; Q206-N208 PolarHBondContact O-N 2.83Å; Q206-N362 PolarHBondContact O-N 3.47Å
207C91.1Very high95.8Very high11 Ų1131 Ų317%0.07416%0.16CC..  trans61.622.4178.8-56.40000115.5N204 E205 N209 D231 C363N204-C207 WeakPolarHBondContact O-CA 3.23Å; N204-C207 PolarHBondContact O-N 3.15Å; E205-C207 VanDerWaalsContact C-N 3.3Å; C207-N209 PolarHBondContact O-N 2.93Å; C207-N209 PolarHBondContact O-ND2 3.28Å; C207-D231 PolarHBondContact SG-O 3.4Å; C207-C363 HydrophobicContact CB-CB 3.84Å; C207-C363 WeakPolarHBondContact CB-SG 3.12Å; C207-C363 WeakPolarHBondContact SG-CA 3.45Å; C207-C363 WeakPolarHBondContact SG-CB 3.34Å; C207-C363 CovalentContact SG-SG 2.03Å; C207-C363 PolarHBondContact SG-SG 3.1Å
208N93.1Very high95.6Very high62 Ų6235.7 Ų35.733%0.33218%0.178SC..  trans-80.283.9173.2-65.6-24.6000110.4Q206 N362Q206-N208 PolarHBondContact O-N 2.83Å; N208-N362 PolarHBondContact OD1-ND2 3.42Å
209N94.9Very high95.5Very high3 Ų340 Ų402%0.01620%0.201CC..  trans-116.314-175.6-60.4-64.6000113.5G203 N204 C207 W211 I212 W234G203-N209 VanDerWaalsContact CA-OD1 3.24Å; G203-N209 WeakPolarHBondContact CA-OD1 3.46Å; N204-N209 PolarHBondContact N-OD1 3.1Å; C207-N209 PolarHBondContact O-N 2.93Å; C207-N209 PolarHBondContact O-ND2 3.28Å; N209-W211 PolarHBondContact O-N 3.48Å; N209-I212 VanDerWaalsContact O-CG2 3.3Å; N209-I212 WeakPolarHBondContact O-CG2 3.35Å; N209-I212 PolarHBondContact O-N 3.3Å; N209-W234 HydrophobicContact CB-CZ3 4.46Å; N209-W234 WeakPolarHBondContact O-CH2 3.37Å
210D94.9Very high95.3Very high111 Ų11143.5 Ų43.559%0.59424%0.237SC*.G310 helixtrans-52.3-28.1-174.7-63.1-27.8000114.4I212 A213 W234D210-I212 PolarHBondContact O-N 2.89Å; D210-A213 WeakPolarHBondContact O-CB 3.48Å; D210-A213 PolarHBondContact O-N 3.45Å; D210-W234 VanDerWaalsContact OD1-CZ2 3.28Å; D210-W234 WeakPolarHBondContact OD1-CZ2 3.44Å
211W96.1Very high95.2Very high51 Ų5144.5 Ų44.519%0.19325%0.248CC..G310 helixtrans-59.6-26.7178.869.2-93.4000114.2V175 L182 L201 N209 P214V175-W211 HydrophobicContact CB-CD2 4.49Å; V175-W211 HydrophobicContact CG1-CB 4.07Å; V175-W211 HydrophobicContact CG1-CD2 3.57Å; V175-W211 HydrophobicContact CG1-CE3 3.91Å; V175-W211 HydrophobicContact CG1-CG 3.62Å; V175-W211 HydrophobicContact CG2-CD2 4.31Å; V175-W211 HydrophobicContact CG2-CG 4.35Å; V175-W211 HydrophobicContact CG2-CZ2 4.37Å; L182-W211 HydrophobicContact CD1-CZ3 3.73Å; L201-W211 HydrophobicContact CD1-CH2 4.1Å; L201-W211 HydrophobicContact CD1-CZ2 3.68Å; L201-W211 HydrophobicContact CD2-CH2 4.47Å; L201-W211 HydrophobicContact CD2-CZ2 3.88Å; L201-W211 HydrophobicContact CG-CZ2 4.47Å; N209-W211 PolarHBondContact O-N 3.48Å; W211-P214 WeakPolarHBondContact O-CD 3.12Å
212I97.2Very high95.2Very high0 Ų045.6 Ų45.60%025%0.252CS..G310 helixtrans-81.7-18.8177.2-16562.4000111.9L182 L201 N209 D210 P214 H215 L226 W234L182-I212 HydrophobicContact CD1-CD1 3.38Å; L182-I212 HydrophobicContact CD2-CD1 4.27Å; L182-I212 HydrophobicContact CG-CD1 4.47Å; L201-I212 HydrophobicContact CD2-CB 4.31Å; L201-I212 HydrophobicContact CD2-CG1 4.47Å; L201-I212 HydrophobicContact CD2-CG2 4.18Å; N209-I212 VanDerWaalsContact O-CG2 3.3Å; N209-I212 WeakPolarHBondContact O-CG2 3.35Å; N209-I212 PolarHBondContact O-N 3.3Å; D210-I212 PolarHBondContact O-N 2.89Å; I212-P214 VanDerWaalsContact C-CD 3.49Å; I212-H215 HydrophobicContact CD1-CB 4.31Å; I212-H215 WeakPolarHBondContact O-CB 3.5Å; I212-H215 PolarHBondContact O-N 2.97Å; I212-L226 HydrophobicContact CG1-CD1 4.48Å; I212-L226 HydrophobicContact CG2-CD2 4.12Å; I212-W234 HydrophobicContact CG2-CH2 4.16Å; I212-W234 HydrophobicContact CG2-CZ3 3.57Å
213A96.4Very high95.2Very high20 Ų2045.2 Ų45.217%0.16525%0.25CS..G310 helixtrans-56.1-43.5-172.600000113.7D210 H215 L216 N219 W234D210-A213 WeakPolarHBondContact O-CB 3.48Å; D210-A213 PolarHBondContact O-N 3.45Å; A213-H215 PolarHBondContact O-N 2.95Å; A213-H215 VanDerWaalsContact O-N 3.15Å; A213-L216 PolarHBondContact O-N 2.8Å; A213-N219 WeakPolarHBondContact O-CB 3.29Å; A213-N219 PolarHBondContact O-ND2 2.84Å; A213-W234 HydrophobicContact CB-CH2 3.86Å; A213-W234 HydrophobicContact CB-CZ2 4.41Å
214P97.3Very high95.3Very high90 Ų9046.1 Ų46.158%0.58426%0.255SS*.G310 helixtrans-63-20.6179.3-22.935.2000114.1W211 I212W211-P214 WeakPolarHBondContact O-CD 3.12Å; I212-P214 VanDerWaalsContact C-CD 3.49Å
215H97.7Very high95.5Very high27 Ų2744.7 Ų44.713%0.12525%0.248CC..G310 helixtrans-87.4-14.3-179.2-58.8-75000113.1I212 A213 G221 F222 V223I212-H215 HydrophobicContact CD1-CB 4.31Å; I212-H215 WeakPolarHBondContact O-CB 3.5Å; I212-H215 PolarHBondContact O-N 2.97Å; A213-H215 PolarHBondContact O-N 2.95Å; A213-H215 VanDerWaalsContact O-N 3.15Å; H215-G221 CarbonylContact O-C 3.57Å; H215-G221 WeakPolarHBondContact O-CA 3.38Å; H215-F222 HydrophobicContact CB-CE1 4.43Å; H215-F222 AromaticContact ND1-CE1 3.83Å; H215-F222 PolarHBondContact O-N 2.83Å; H215-V223 HydrophobicContact CB-CG2 4.11Å; H215-V223 VanDerWaalsContact O-CB 3.3Å; H215-V223 WeakPolarHBondContact O-CB 3.33Å; H215-V223 WeakPolarHBondContact O-CG2 3.48Å; H215-V223 PolarHBondContact O-N 3.35Å
216L97.2Very high95.8Very high4 Ų443.9 Ų43.92%0.02124%0.244CC..BIsolated β-bridgetrans-74.4139.1-179.9-58.9179.6000111.5A213 R218 N219 G220 G221 V223 L226 V240A213-L216 PolarHBondContact O-N 2.8Å; L216-R218 VanDerWaalsContact C-N 3.28Å; L216-R218 HydrophobicContact CB-CG 3.96Å; L216-R218 PolarHBondContact O-N 2.86Å; L216-N219 CarbonylContact O-C 3.56Å; L216-N219 WeakPolarHBondContact O-CA 3.29Å; L216-N219 PolarHBondContact O-N 3.04Å; L216-G220 PolarHBondContact O-N 3.12Å; L216-G221 WeakPolarHBondContact O-CA 3.17Å; L216-G221 PolarHBondContact O-N 3.03Å; L216-V223 HydrophobicContact CD2-CB 4.24Å; L216-V223 HydrophobicContact CD2-CG1 4.03Å; L216-L226 HydrophobicContact CD1-CD2 4.29Å; L216-L226 HydrophobicContact CD2-CB 3.95Å; L216-L226 HydrophobicContact CD2-CD2 4.14Å; L216-V240 HydrophobicContact CD1-CG2 4.48Å
217K95.3Very high96.2Very high124 Ų12439.7 Ų39.754%0.53922%0.224SC..G310 helixtrans-57.9-37.4-178.7-167.3172.9-168.3171.80113.4N219 G220 G221 V223 D224K217-N219 PolarHBondContact O-N 2.79Å; K217-N219 VanDerWaalsContact O-N 3.1Å; K217-G220 PolarHBondContact O-N 3.14Å; K217-G221 WeakPolarHBondContact CA-O 3.49Å; K217-V223 WeakPolarHBondContact CB-O 3.43Å; K217-V223 PolarHBondContact N-O 3.19Å; K217-D224 VanDerWaalsContact CD-OD1 3.23Å; K217-D224 WeakPolarHBondContact CD-OD1 3.42Å; K217-D224 IonicContact NZ-OD1 2.65Å; K217-D224 PolarHBondContact NZ-OD1 3.45Å
218R93.4Very high96.4Very high99 Ų9939.2 Ų39.237%0.37422%0.221SC..G310 helixtrans-57.9-22.3173.461.1166.3175.1-153.411.7114.4L216 N236 D239 V240L216-R218 VanDerWaalsContact C-N 3.28Å; L216-R218 HydrophobicContact CB-CG 3.96Å; L216-R218 PolarHBondContact O-N 2.86Å; R218-N236 PolarHBondContact NH1-ND2 3Å; R218-D239 WeakPolarHBondContact CD-OD2 3.13Å; R218-D239 WeakPolarHBondContact CG-OD2 3.44Å; R218-D239 IonicContact CZ-OD2 3.82Å; R218-D239 IonicContact NE-OD2 3.14Å; R218-D239 IonicContact NH1-OD1 3.82Å; R218-D239 PolarHBondContact NH1-OD1 2.79Å; R218-D239 IonicContact NH1-OD2 2.66Å; R218-V240 VanDerWaalsContact NH1-CG2 3.28Å
219N96Very high96.6Very high90 Ų9036.3 Ų36.348%0.48121%0.205SC..G310 helixtrans-107.614.7179.6-63-23.3000112.1A213 L216 K217A213-N219 WeakPolarHBondContact O-CB 3.29Å; A213-N219 PolarHBondContact O-ND2 2.84Å; L216-N219 CarbonylContact O-C 3.56Å; L216-N219 WeakPolarHBondContact O-CA 3.29Å; L216-N219 PolarHBondContact O-N 3.04Å; K217-N219 PolarHBondContact O-N 2.79Å; K217-N219 VanDerWaalsContact O-N 3.1Å
220G95.1Very high96.5Very high75 Ų7536.8 Ų36.877%0.77321%0.207SC*.THydrogen-bonded Turntrans86.48-178.100000115L216 K217L216-G220 PolarHBondContact O-N 3.12Å; K217-G220 PolarHBondContact O-N 3.14Å
221G96.9Very high96.3Very high21 Ų2131.9 Ų31.922%0.21618%0.181CC..SBendtrans-83.7-166.3174.100000114H215 L216 K217H215-G221 CarbonylContact O-C 3.57Å; H215-G221 WeakPolarHBondContact O-CA 3.38Å; L216-G221 WeakPolarHBondContact O-CA 3.17Å; L216-G221 PolarHBondContact O-N 3.03Å; K217-G221 WeakPolarHBondContact CA-O 3.49Å
222F96.8Very high96.1Very high23 Ų2329.9 Ų29.910%0.10117%0.174CC..SBendtrans-113-6.1-174.467.1-88.1000114.2L182 V185 Q186 V189 V197 H215 D224L182-F222 HydrophobicContact CB-CZ 4.19Å; L182-F222 HydrophobicContact CD2-CZ 4.14Å; L182-F222 VanDerWaalsContact O-CZ 3.22Å; L182-F222 WeakPolarHBondContact O-CZ 3.44Å; V185-F222 HydrophobicContact CB-CE2 4.19Å; V185-F222 HydrophobicContact CG1-CD2 4.4Å; V185-F222 HydrophobicContact CG1-CE2 3.75Å; Q186-F222 HydrophobicContact CB-CD1 3.88Å; Q186-F222 HydrophobicContact CB-CE1 3.47Å; Q186-F222 VanDerWaalsContact CB-CE1 3.47Å; Q186-F222 HydrophobicContact CB-CZ 3.87Å; Q186-F222 HydrophobicContact CG-CD1 3.69Å; Q186-F222 HydrophobicContact CG-CE1 3.74Å; Q186-F222 HydrophobicContact CG-CG 4.49Å; V189-F222 HydrophobicContact CG1-CB 4.22Å; V189-F222 HydrophobicContact CG2-CD2 4.01Å; V197-F222 HydrophobicContact CB-CD2 4.19Å; V197-F222 HydrophobicContact CB-CE2 4.46Å; V197-F222 HydrophobicContact CG1-CD2 4.33Å; V197-F222 HydrophobicContact CG1-CE2 4.11Å; V197-F222 HydrophobicContact CG2-CD2 3.99Å; V197-F222 HydrophobicContact CG2-CE2 4.33Å; H215-F222 HydrophobicContact CB-CE1 4.43Å; H215-F222 AromaticContact ND1-CE1 3.83Å; H215-F222 PolarHBondContact O-N 2.83Å; F222-D224 PolarHBondContact O-N 2.75Å
223V98Very high95.8Very high1 Ų133.9 Ų33.91%0.00620%0.201CC..BIsolated β-bridgetrans-84.1112.1179177.20000109L182 V197 V199 H215 L216 K217 L225L182-V223 HydrophobicContact CD2-CG2 4.23Å; V197-V223 HydrophobicContact CG1-CG2 4.25Å; V199-V223 HydrophobicContact CB-CG1 4.16Å; V199-V223 HydrophobicContact CG2-CB 4.47Å; V199-V223 HydrophobicContact CG2-CG1 3.65Å; V199-V223 HydrophobicContact CG2-CG2 3.92Å; H215-V223 HydrophobicContact CB-CG2 4.11Å; H215-V223 VanDerWaalsContact O-CB 3.3Å; H215-V223 WeakPolarHBondContact O-CB 3.33Å; H215-V223 WeakPolarHBondContact O-CG2 3.48Å; H215-V223 PolarHBondContact O-N 3.35Å; L216-V223 HydrophobicContact CD2-CB 4.24Å; L216-V223 HydrophobicContact CD2-CG1 4.03Å; K217-V223 WeakPolarHBondContact CB-O 3.43Å; K217-V223 PolarHBondContact N-O 3.19Å; V223-L225 VanDerWaalsContact CG1-O 3.24Å; V223-L225 WeakPolarHBondContact CG1-O 3.36Å
224D97.1Very high95.6Very high19 Ų1935.6 Ų35.610%0.10220%0.203CC..  trans-70.4-39.2179.8-59.7-71.6000112.2H196 V197 K217 F222 F435H196-D224 VanDerWaalsContact CA-OD2 3.28Å; H196-D224 WeakPolarHBondContact CA-OD2 3.29Å; H196-D224 IonicContact ND1-OD2 3.04Å; V197-D224 PolarHBondContact N-OD2 3.43Å; V197-D224 WeakPolarHBondContact O-CB 3.43Å; V197-D224 PolarHBondContact O-N 3.35Å; K217-D224 VanDerWaalsContact CD-OD1 3.23Å; K217-D224 WeakPolarHBondContact CD-OD1 3.42Å; K217-D224 IonicContact NZ-OD1 2.65Å; K217-D224 PolarHBondContact NZ-OD1 3.45Å; F222-D224 PolarHBondContact O-N 2.75Å; D224-F435 HydrophobicContact CB-CE1 4.16Å
225L98.1Very high95.4Very high0 Ų032.4 Ų32.40%018%0.182CC..EExtended strand (participates in β ladder)trans-136.5140.4-171.6-61.2169.7000112.1V197 A198 V199 V223 F227 D239 F241 V430 I431 N434 F435V197-L225 PolarHBondContact O-N 3.22Å; A198-L225 CarbonylContact C-O 3.55Å; A198-L225 VanDerWaalsContact CA-O 3.32Å; A198-L225 WeakPolarHBondContact CA-O 3.36Å; A198-L225 HydrophobicContact CB-CB 3.82Å; A198-L225 HydrophobicContact CB-CD1 4.3Å; V199-L225 PolarHBondContact N-O 3.48Å; V223-L225 VanDerWaalsContact CG1-O 3.24Å; V223-L225 WeakPolarHBondContact CG1-O 3.36Å; L225-F227 HydrophobicContact CB-CE2 4.36Å; L225-D239 WeakPolarHBondContact CA-O 3.44Å; L225-F241 HydrophobicContact CD2-CE2 3.8Å; L225-V430 HydrophobicContact CD1-CG1 3.74Å; L225-V430 HydrophobicContact CD2-CG1 3.89Å; L225-V430 HydrophobicContact CG-CG1 4.42Å; L225-I431 HydrophobicContact CD1-CD1 3.91Å; L225-N434 HydrophobicContact CD1-CB 3.87Å; L225-N434 HydrophobicContact CD2-CB 4.06Å; L225-N434 HydrophobicContact CG-CB 4.19Å; L225-F435 HydrophobicContact CD1-CD1 4.36Å; L225-F435 HydrophobicContact CD1-CE1 3.89Å; L225-F435 HydrophobicContact CG-CE1 4.45Å
226L98.4Very high95.2Very high0 Ų034.2 Ų34.20%019%0.192CC..EExtended strand (participates in β ladder)trans-125.7118.2173.2178.165.8000110.8V199 L201 I212 L216 L228 W234 D239 V240 F241V199-L226 HydrophobicContact CB-CD1 3.98Å; V199-L226 HydrophobicContact CG1-CD1 3.88Å; V199-L226 CarbonylContact O-C 3.51Å; V199-L226 WeakPolarHBondContact O-CA 3.44Å; L201-L226 HydrophobicContact CB-CD1 3.87Å; L201-L226 HydrophobicContact CD2-CD1 4.42Å; I212-L226 HydrophobicContact CG1-CD1 4.48Å; I212-L226 HydrophobicContact CG2-CD2 4.12Å; L216-L226 HydrophobicContact CD1-CD2 4.29Å; L216-L226 HydrophobicContact CD2-CB 3.95Å; L216-L226 HydrophobicContact CD2-CD2 4.14Å; L226-L228 HydrophobicContact CG-CB 4.39Å; L226-W234 HydrophobicContact CD2-CE3 4.43Å; L226-D239 PolarHBondContact N-O 2.84Å; L226-V240 HydrophobicContact CB-CG1 4.43Å; L226-V240 HydrophobicContact CB-CG2 4.18Å; L226-V240 HydrophobicContact CD2-CG1 4.09Å; L226-V240 HydrophobicContact CD2-CG2 4.31Å; L226-V240 HydrophobicContact CG-CG1 4.35Å; L226-V240 CarbonylContact O-C 3.38Å; L226-V240 VanDerWaalsContact O-CA 3.3Å; L226-V240 WeakPolarHBondContact O-CA 3.3Å; L226-F241 PolarHBondContact O-N 2.97Å
227F98.3Very high94.9Very high2 Ų237.4 Ų37.41%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-97.5108166.9-60.6-87.6000108.3A198 V199 V200 L201 L225 F241 W243 F427 V430 I431A198-F227 HydrophobicContact CB-CE2 4.41Å; V199-F227 PolarHBondContact O-N 2.86Å; V200-F227 CarbonylContact C-O 3.27Å; V200-F227 WeakPolarHBondContact CA-O 3.3Å; V200-F227 HydrophobicContact CB-CB 4.4Å; V200-F227 HydrophobicContact CG1-CB 4.33Å; V200-F227 HydrophobicContact CG2-CB 4.07Å; V200-F227 HydrophobicContact CG2-CD2 4.07Å; V200-F227 HydrophobicContact CG2-CG 4.37Å; L201-F227 PolarHBondContact N-O 3.45Å; L225-F227 HydrophobicContact CB-CE2 4.36Å; F227-F241 CarbonylContact C-O 3.6Å; F227-F241 WeakPolarHBondContact CA-O 3.39Å; F227-F241 HydrophobicContact CD1-CB 3.76Å; F227-F241 HydrophobicContact CD1-CD2 4.43Å; F227-F241 HydrophobicContact CD1-CG 4.32Å; F227-F241 HydrophobicContact CE1-CB 4.08Å; F227-F241 HydrophobicContact CE1-CD2 4.16Å; F227-F241 HydrophobicContact CE1-CG 4.16Å; F227-W243 HydrophobicContact CB-CB 4.13Å; F227-W243 HydrophobicContact CB-CD2 4.46Å; F227-W243 HydrophobicContact CB-CE3 4.34Å; F227-W243 HydrophobicContact CB-CG 4.39Å; F227-W243 AromaticContact CD1-CE3 3.75Å; F227-W243 HydrophobicContact CD1-CE3 3.75Å; F227-W243 HydrophobicContact CD1-CZ3 4.2Å; F227-W243 HydrophobicContact CE1-CE3 4.48Å; F227-W243 HydrophobicContact CG-CE3 4.32Å; F227-F427 HydrophobicContact CD1-CD2 4.35Å; F227-F427 HydrophobicContact CD2-CD2 4.31Å; F227-F427 HydrophobicContact CD2-CE2 4.08Å; F227-F427 AromaticContact CE1-CD2 3.93Å; F227-F427 HydrophobicContact CE1-CD2 3.93Å; F227-F427 AromaticContact CE2-CD2 3.88Å; F227-F427 HydrophobicContact CE2-CD2 3.88Å; F227-F427 AromaticContact CE2-CE2 3.73Å; F227-F427 HydrophobicContact CE2-CE2 3.73Å; F227-F427 AromaticContact CZ-CD2 3.66Å; F227-F427 HydrophobicContact CZ-CD2 3.66Å; F227-F427 HydrophobicContact CZ-CE2 4.01Å; F227-V430 HydrophobicContact CE1-CG1 4.24Å; F227-V430 HydrophobicContact CZ-CB 4.17Å; F227-V430 HydrophobicContact CZ-CG1 3.72Å; F227-I431 HydrophobicContact CE2-CD1 4.32Å
228L97.1Very high94.8Very high1 Ų139.2 Ų39.21%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-105.5126.8-172.9-175.758.3000111.1L201 L226 S232 F241 Q242 W243L201-L228 HydrophobicContact CB-CD1 4.07Å; L201-L228 HydrophobicContact CD2-CD1 3.87Å; L201-L228 HydrophobicContact CG-CD1 3.95Å; L226-L228 HydrophobicContact CG-CB 4.39Å; L228-S232 WeakPolarHBondContact CD2-OG 3.44Å; L228-F241 PolarHBondContact N-O 3.44Å; L228-Q242 CarbonylContact O-C 3.5Å; L228-Q242 WeakPolarHBondContact O-CA 3.31Å; L228-W243 PolarHBondContact O-N 3.02Å
229I95.8Very high94.8Very high1 Ų136 Ų361%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-81.4140174.4-64.2153.2000109.5I109 L201 L202 W243 L245I109-I229 HydrophobicContact CB-CD1 3.99Å; I109-I229 HydrophobicContact CD1-CD1 4.43Å; I109-I229 HydrophobicContact CG1-CD1 3.58Å; I109-I229 HydrophobicContact CG2-CD1 3.66Å; L201-I229 WeakPolarHBondContact O-CB 3.4Å; L201-I229 PolarHBondContact O-N 3.32Å; L202-I229 HydrophobicContact CB-CD1 4.03Å; L202-I229 HydrophobicContact CD1-CB 4.33Å; L202-I229 HydrophobicContact CD1-CD1 4.11Å; L202-I229 HydrophobicContact CD1-CG2 3.96Å; I229-W243 WeakPolarHBondContact CA-O 3.49Å; I229-W243 HydrophobicContact CG1-CB 3.97Å; I229-W243 HydrophobicContact CG1-CG 4.32Å; I229-L245 HydrophobicContact CG2-CB 4.01Å; I229-L245 HydrophobicContact CG2-CD1 3.75Å
230Y92.6Very high94.9Very high13 Ų1331.7 Ų31.75%0.05118%0.184CC..SBendtrans79159.6-168.8-47.8-57.4000115L202 E205 S232 L245 N336 E338L202-Y230 HydrophobicContact CD1-CE2 4.3Å; E205-Y230 HydrophobicContact CG-CE2 4.08Å; Y230-S232 PolarHBondContact O-N 3.41Å; Y230-L245 HydrophobicContact CE1-CD1 4.13Å; Y230-L245 HydrophobicContact CE1-CD2 4.13Å; Y230-N336 WeakPolarHBondContact CB-ND2 3.31Å; Y230-N336 HydrophobicContact CD1-CB 4.33Å; Y230-N336 WeakPolarHBondContact CD1-ND2 3.45Å; Y230-N336 HydrophobicContact CE1-CB 4.03Å; Y230-N336 WeakPolarHBondContact CE1-ND2 3.39Å; Y230-E338 HydrophobicContact CD1-CB 4.08Å; Y230-E338 HydrophobicContact CE1-CB 4.31Å
231D90.9Very high94.9Very high9 Ų928.5 Ų28.55%0.04815%0.149CC..  trans-63.3127.6174.7-70.5-37.9000110.6C207 Q242 C363 A364 P370 L371 R372C207-D231 PolarHBondContact SG-O 3.4Å; D231-Q242 PolarHBondContact OD1-NE2 2.89Å; D231-C363 WeakPolarHBondContact O-CB 3.36Å; D231-A364 HydrophobicContact CB-CB 4.25Å; D231-P370 VanDerWaalsContact OD2-C 3.26Å; D231-P370 WeakPolarHBondContact OD2-CA 3.47Å; D231-L371 PolarHBondContact OD2-N 2.82Å; D231-R372 WeakPolarHBondContact OD1-CB 3.35Å; D231-R372 PolarHBondContact OD1-N 3.34Å
232S91.8Very high94.9Very high8 Ų828 Ų286%0.05614%0.141CC..  trans-139.4140-179.9170.30000110.9L228 Y230 W234 V235L228-S232 WeakPolarHBondContact CD2-OG 3.44Å; Y230-S232 PolarHBondContact O-N 3.41Å; S232-W234 PolarHBondContact O-N 3.45Å; S232-W234 VanDerWaalsContact O-N 3.1Å; S232-W234 PolarHBondContact OG-N 2.89Å; S232-V235 WeakPolarHBondContact O-CG2 3.41Å; S232-V235 PolarHBondContact O-N 2.86Å
233P90.9Very high94.9Very high85 Ų8526.9 Ų26.955%0.55214%0.136SC*.THydrogen-bonded Turntrans-64.8-12.717728.2-35.5000112.6V235P233-V235 VanDerWaalsContact C-N 3.34Å
234W93Very high94.8Very high55 Ų5526.9 Ų26.921%0.20814%0.136CC..THydrogen-bonded Turntrans-80.3-15.7179.9-65.22000114.2N209 D210 I212 A213 L226 S232 N236 V240N209-W234 HydrophobicContact CB-CZ3 4.46Å; N209-W234 WeakPolarHBondContact O-CH2 3.37Å; D210-W234 VanDerWaalsContact OD1-CZ2 3.28Å; D210-W234 WeakPolarHBondContact OD1-CZ2 3.44Å; I212-W234 HydrophobicContact CG2-CH2 4.16Å; I212-W234 HydrophobicContact CG2-CZ3 3.57Å; A213-W234 HydrophobicContact CB-CH2 3.86Å; A213-W234 HydrophobicContact CB-CZ2 4.41Å; L226-W234 HydrophobicContact CD2-CE3 4.43Å; S232-W234 PolarHBondContact O-N 3.45Å; S232-W234 VanDerWaalsContact O-N 3.1Å; S232-W234 PolarHBondContact OG-N 2.89Å; W234-N236 PolarHBondContact O-N 3.17Å; W234-V240 HydrophobicContact CB-CG1 4.18Å; W234-V240 WeakPolarHBondContact O-CB 3.42Å
235V93.5Very high94.8Very high24 Ų2426 Ų2615%0.14513%0.132CC..  trans-66.2121.3-177.2-179.60000109S232 P233 V240 Q242 R372S232-V235 WeakPolarHBondContact O-CG2 3.41Å; S232-V235 PolarHBondContact O-N 2.86Å; P233-V235 VanDerWaalsContact C-N 3.34Å; V235-V240 HydrophobicContact CG2-CG1 4.42Å; V235-Q242 HydrophobicContact CG1-CB 4.13Å; V235-Q242 HydrophobicContact CG2-CB 4.08Å; V235-R372 VanDerWaalsContact CG1-NH2 3.31Å
236N92.9Very high94.7Very high64 Ų6426 Ų2634%0.34213%0.132SC..  trans-1322.3-177.165.513.1000113.1R218 W234 K238 D239 V240R218-N236 PolarHBondContact NH1-ND2 3Å; W234-N236 PolarHBondContact O-N 3.17Å; N236-K238 PolarHBondContact O-N 3.45Å; N236-K238 VanDerWaalsContact O-N 3.09Å; N236-K238 PolarHBondContact OD1-N 2.89Å; N236-D239 VanDerWaalsContact CG-OD1 3.27Å; N236-D239 PolarHBondContact ND2-OD1 3.1Å; N236-D239 PolarHBondContact OD1-N 3.26Å; N236-D239 VanDerWaalsContact OD1-N 3.16Å; N236-D239 PolarHBondContact OD1-OD1 2.85Å; N236-D239 VanDerWaalsContact OD1-OD1 3.05Å; N236-V240 PolarHBondContact N-O 2.94Å; N236-V240 PolarHBondContact OD1-N 2.81Å; N236-V240 VanDerWaalsContact OD1-N 3.11Å; N236-V240 PolarHBondContact OD1-O 3.39Å
237D91.4Very high94.6Very high72 Ų7226 Ų2639%0.38513%0.132SC..SBendtrans56.325.2178-60.5-52.2000113.8V240 F241 R372D237-V240 PolarHBondContact N-O 3.04Å; D237-F241 HydrophobicContact CB-CD1 4.49Å; D237-F241 HydrophobicContact CB-CE1 4.45Å; D237-F241 VanDerWaalsContact O-CE1 3.29Å; D237-F241 WeakPolarHBondContact O-CE1 3.37Å; D237-R372 IonicContact OD2-NH1 2.77Å; D237-R372 PolarHBondContact OD2-NH1 2.95Å
238K92Very high94.4Very high161 Ų16126 Ų2670%0.713%0.132SC*.SBendtrans-120.4-60.8176.1-67.9-178.3-178.2-177.30112.1N236 F241N236-K238 PolarHBondContact O-N 3.45Å; N236-K238 VanDerWaalsContact O-N 3.09Å; N236-K238 PolarHBondContact OD1-N 2.89Å; K238-F241 VanDerWaalsContact C-CZ 3.48Å; K238-F241 VanDerWaalsContact O-CE2 3.29Å; K238-F241 WeakPolarHBondContact O-CE2 3.21Å; K238-F241 WeakPolarHBondContact O-CZ 3.45Å
239D94.6Very high94.2Very high31 Ų3126.5 Ų26.517%0.16614%0.135CC..SBendtrans-121-20.2177.468.8-30.2000111.8R218 L225 L226 N236R218-D239 WeakPolarHBondContact CD-OD2 3.13Å; R218-D239 WeakPolarHBondContact CG-OD2 3.44Å; R218-D239 IonicContact CZ-OD2 3.82Å; R218-D239 IonicContact NE-OD2 3.14Å; R218-D239 IonicContact NH1-OD1 3.82Å; R218-D239 PolarHBondContact NH1-OD1 2.79Å; R218-D239 IonicContact NH1-OD2 2.66Å; L225-D239 WeakPolarHBondContact CA-O 3.44Å; L226-D239 PolarHBondContact N-O 2.84Å; N236-D239 VanDerWaalsContact CG-OD1 3.27Å; N236-D239 PolarHBondContact ND2-OD1 3.1Å; N236-D239 PolarHBondContact OD1-N 3.26Å; N236-D239 VanDerWaalsContact OD1-N 3.16Å; N236-D239 PolarHBondContact OD1-OD1 2.85Å; N236-D239 VanDerWaalsContact OD1-OD1 3.05Å
240V97.1Very high93.9Very high0 Ų029.3 Ų29.30%015%0.146CC..EExtended strand (participates in β ladder)trans-121.2119.2173.3-174.70000110.2L216 R218 L226 W234 V235 N236 D237L216-V240 HydrophobicContact CD1-CG2 4.48Å; R218-V240 VanDerWaalsContact NH1-CG2 3.28Å; L226-V240 HydrophobicContact CB-CG1 4.43Å; L226-V240 HydrophobicContact CB-CG2 4.18Å; L226-V240 HydrophobicContact CD2-CG1 4.09Å; L226-V240 HydrophobicContact CD2-CG2 4.31Å; L226-V240 HydrophobicContact CG-CG1 4.35Å; L226-V240 CarbonylContact O-C 3.38Å; L226-V240 VanDerWaalsContact O-CA 3.3Å; L226-V240 WeakPolarHBondContact O-CA 3.3Å; W234-V240 HydrophobicContact CB-CG1 4.18Å; W234-V240 WeakPolarHBondContact O-CB 3.42Å; V235-V240 HydrophobicContact CG2-CG1 4.42Å; N236-V240 PolarHBondContact N-O 2.94Å; N236-V240 PolarHBondContact OD1-N 2.81Å; N236-V240 VanDerWaalsContact OD1-N 3.11Å; N236-V240 PolarHBondContact OD1-O 3.39Å; D237-V240 PolarHBondContact N-O 3.04Å
241F96.7Very high93.7Very high9 Ų931 Ų314%0.03915%0.152CC..EExtended strand (participates in β ladder)trans-116.3146-176.7-59.3-89.9000110L225 L226 F227 L228 D237 K238 V430L225-F241 HydrophobicContact CD2-CE2 3.8Å; L226-F241 PolarHBondContact O-N 2.97Å; F227-F241 CarbonylContact C-O 3.6Å; F227-F241 WeakPolarHBondContact CA-O 3.39Å; F227-F241 HydrophobicContact CD1-CB 3.76Å; F227-F241 HydrophobicContact CD1-CD2 4.43Å; F227-F241 HydrophobicContact CD1-CG 4.32Å; F227-F241 HydrophobicContact CE1-CB 4.08Å; F227-F241 HydrophobicContact CE1-CD2 4.16Å; F227-F241 HydrophobicContact CE1-CG 4.16Å; L228-F241 PolarHBondContact N-O 3.44Å; D237-F241 HydrophobicContact CB-CD1 4.49Å; D237-F241 HydrophobicContact CB-CE1 4.45Å; D237-F241 VanDerWaalsContact O-CE1 3.29Å; D237-F241 WeakPolarHBondContact O-CE1 3.37Å; K238-F241 VanDerWaalsContact C-CZ 3.48Å; K238-F241 VanDerWaalsContact O-CE2 3.29Å; K238-F241 WeakPolarHBondContact O-CE2 3.21Å; K238-F241 WeakPolarHBondContact O-CZ 3.45Å; F241-V430 HydrophobicContact CD1-CG2 4.32Å; F241-V430 HydrophobicContact CD2-CG1 4.15Å; F241-V430 HydrophobicContact CE1-CG1 4.38Å; F241-V430 HydrophobicContact CE1-CG2 3.77Å; F241-V430 HydrophobicContact CE2-CG1 3.57Å; F241-V430 HydrophobicContact CE2-CG2 4.43Å; F241-V430 HydrophobicContact CZ-CB 4.45Å; F241-V430 HydrophobicContact CZ-CG1 3.67Å; F241-V430 HydrophobicContact CZ-CG2 3.82Å
242Q95.5Very high93.7Very high9 Ų935.1 Ų35.14%0.04217%0.171CC..EExtended strand (participates in β ladder)trans-77.7140.7169.6-172.5169.83.200110.3L228 D231 V235 L373L228-Q242 CarbonylContact O-C 3.5Å; L228-Q242 WeakPolarHBondContact O-CA 3.31Å; D231-Q242 PolarHBondContact OD1-NE2 2.89Å; V235-Q242 HydrophobicContact CG1-CB 4.13Å; V235-Q242 HydrophobicContact CG2-CB 4.08Å; Q242-L373 HydrophobicContact CG-CB 4.08Å; Q242-L373 HydrophobicContact CG-CD2 4.29Å
243W97Very high93.8Very high1 Ų135.1 Ų35.10%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-124.8139.5177.5-164.5-100.1000110.8L113 I117 V200 F227 L228 I229 M423 F427L113-W243 HydrophobicContact CD1-CH2 3.79Å; L113-W243 HydrophobicContact CD1-CZ2 3.35Å; I117-W243 HydrophobicContact CG1-CZ2 4.23Å; I117-W243 HydrophobicContact CG2-CH2 4.3Å; I117-W243 HydrophobicContact CG2-CZ2 4.35Å; V200-W243 HydrophobicContact CG1-CG 4.35Å; F227-W243 HydrophobicContact CB-CB 4.13Å; F227-W243 HydrophobicContact CB-CD2 4.46Å; F227-W243 HydrophobicContact CB-CE3 4.34Å; F227-W243 HydrophobicContact CB-CG 4.39Å; F227-W243 AromaticContact CD1-CE3 3.75Å; F227-W243 HydrophobicContact CD1-CE3 3.75Å; F227-W243 HydrophobicContact CD1-CZ3 4.2Å; F227-W243 HydrophobicContact CE1-CE3 4.48Å; F227-W243 HydrophobicContact CG-CE3 4.32Å; L228-W243 PolarHBondContact O-N 3.02Å; I229-W243 WeakPolarHBondContact CA-O 3.49Å; I229-W243 HydrophobicContact CG1-CB 3.97Å; I229-W243 HydrophobicContact CG1-CG 4.32Å; W243-M423 HydrophobicContact CD2-CE 4.18Å; W243-M423 HydrophobicContact CE3-CE 3.45Å; W243-M423 VanDerWaalsContact CE3-CE 3.45Å; W243-M423 HydrophobicContact CH2-CB 4.29Å; W243-M423 HydrophobicContact CH2-CE 3.97Å; W243-M423 HydrophobicContact CZ3-CE 3.33Å; W243-F427 HydrophobicContact CH2-CB 3.75Å; W243-F427 HydrophobicContact CH2-CD2 4.02Å; W243-F427 HydrophobicContact CH2-CG 4.08Å; W243-F427 HydrophobicContact CZ3-CB 3.82Å; W243-F427 AromaticContact CZ3-CD2 3.95Å; W243-F427 HydrophobicContact CZ3-CD2 3.95Å; W243-F427 HydrophobicContact CZ3-CG 4.27Å
244P96.5Very high93.8Very high0 Ų033.1 Ų33.10%016%0.157CC..  trans-69.2145.117827.8-34000111.7Y112 G246 Y343 L373 F419 M423Y112-P244 HydrophobicContact CE1-CG 4.11Å; P244-G246 VanDerWaalsContact C-N 3.31Å; P244-Y343 HydrophobicContact CB-CE1 3.9Å; P244-Y343 WeakPolarHBondContact CB-OH 3.48Å; P244-L373 HydrophobicContact CB-CD2 4.1Å; P244-L373 HydrophobicContact CG-CD2 4.34Å; P244-F419 HydrophobicContact CB-CE1 4Å; P244-F419 HydrophobicContact CB-CZ 3.88Å; P244-F419 HydrophobicContact CG-CE1 4.09Å; P244-F419 HydrophobicContact CG-CZ 4.03Å; P244-M423 VanDerWaalsContact CD-CE 3.44Å; P244-M423 HydrophobicContact CG-CE 4.18Å; P244-M423 HydrophobicContact CG-CG 4.13Å; P244-M423 HydrophobicContact CG-SD 4.38Å
245L96.2Very high93.8Very high2 Ų233.2 Ų33.21%0.0116%0.161CC..  trans-65-36.3170.9-177.869.4000111.5I109 L202 I229 Y230 E338 Y340 Y343I109-L245 HydrophobicContact CD1-CD1 4.31Å; I109-L245 WeakPolarHBondContact CD1-O 3.38Å; L202-L245 HydrophobicContact CD1-CD1 3.84Å; I229-L245 HydrophobicContact CG2-CB 4.01Å; I229-L245 HydrophobicContact CG2-CD1 3.75Å; Y230-L245 HydrophobicContact CE1-CD1 4.13Å; Y230-L245 HydrophobicContact CE1-CD2 4.13Å; L245-E338 HydrophobicContact CB-CG 4.14Å; L245-E338 WeakPolarHBondContact CB-OE1 3.41Å; L245-E338 PolarHBondContact N-OE1 2.99Å; L245-Y340 HydrophobicContact CD1-CD1 4.41Å; L245-Y340 HydrophobicContact CD1-CE1 3.69Å; L245-Y340 HydrophobicContact CD2-CD1 3.91Å; L245-Y340 HydrophobicContact CD2-CD2 4.2Å; L245-Y340 HydrophobicContact CD2-CE1 3.96Å; L245-Y340 HydrophobicContact CD2-CE2 4.21Å; L245-Y340 HydrophobicContact CD2-CG 4.04Å; L245-Y340 HydrophobicContact CG-CD1 3.8Å; L245-Y340 HydrophobicContact CG-CE1 3.57Å; L245-Y340 HydrophobicContact CG-CG 4.43Å; L245-Y343 HydrophobicContact CB-CE2 4.08Å
246G96Very high93.8Very high0 Ų033.8 Ų33.80%016%0.162CC..  trans69.6-156.3179.200000114.2Y112 P244 Y340 Y343Y112-G246 VanDerWaalsContact CE1-CA 3.45Å; Y112-G246 VanDerWaalsContact CE2-CA 3.5Å; P244-G246 VanDerWaalsContact C-N 3.31Å; G246-Y340 WeakPolarHBondContact O-CA 3.05Å; G246-Y340 VanDerWaalsContact O-CD1 3.3Å; G246-Y340 WeakPolarHBondContact O-CD1 3.49Å; G246-Y343 VanDerWaalsContact CA-CG 3.48Å; G246-Y343 VanDerWaalsContact N-CE2 3.33Å; G246-Y343 WeakPolarHBondContact O-CB 2.69Å; G246-Y343 WeakPolarHBondContact O-CD2 3.46Å
247V96.5Very high93.6Very high0 Ų039.2 Ų39.20%018%0.178CC..  trans-91.4158.8-177.8-56.10000112.2Y112 H116 T249 F253 Y340 E344Y112-V247 HydrophobicContact CD2-CG2 3.92Å; Y112-V247 HydrophobicContact CE2-CG2 4.31Å; H116-V247 WeakPolarHBondContact CE1-CG2 3.32Å; V247-T249 VanDerWaalsContact C-N 3.29Å; V247-T249 HydrophobicContact CG2-CG2 4.04Å; V247-T249 PolarHBondContact O-N 2.9Å; V247-F253 HydrophobicContact CB-CB 4.29Å; V247-F253 HydrophobicContact CB-CD1 3.69Å; V247-F253 HydrophobicContact CB-CE1 4.31Å; V247-F253 HydrophobicContact CB-CG 4.15Å; V247-F253 HydrophobicContact CG1-CD1 3.87Å; V247-F253 HydrophobicContact CG1-CE1 3.99Å; V247-F253 HydrophobicContact CG2-CB 4.3Å; V247-F253 HydrophobicContact CG2-CD1 3.89Å; V247-F253 HydrophobicContact CG2-CG 4.46Å; V247-Y340 VanDerWaalsContact C-CD1 3.41Å; V247-E344 HydrophobicContact CB-CG 3.82Å; V247-E344 HydrophobicContact CG1-CG 3.78Å
248A94.1Very high93.4Very high1 Ų138.8 Ų38.81%0.00818%0.18CC..  trans-76.774.3179.800000112.3Y250 R251 F253 Y340 E344A248-Y250 HydrophobicContact CB-CD1 4.06Å; A248-Y250 HydrophobicContact CB-CE1 3.58Å; A248-Y250 PolarHBondContact O-N 2.99Å; A248-R251 HydrophobicContact CB-CB 4.15Å; A248-R251 HydrophobicContact CB-CG 4.15Å; A248-R251 CarbonylContact O-C 3.56Å; A248-R251 WeakPolarHBondContact O-CA 3.42Å; A248-R251 WeakPolarHBondContact O-CB 3.3Å; A248-R251 PolarHBondContact O-N 2.93Å; A248-F253 PolarHBondContact O-N 3.46Å; A248-Y340 HydrophobicContact CB-CD1 3.93Å; A248-Y340 HydrophobicContact CB-CD2 4.16Å; A248-Y340 HydrophobicContact CB-CE1 4.43Å; A248-Y340 HydrophobicContact CB-CG 3.77Å; A248-E344 VanDerWaalsContact CB-OE1 3.23Å; A248-E344 WeakPolarHBondContact CB-OE1 3.49Å; A248-E344 PolarHBondContact N-OE1 3.46Å
249T92.7Very high93.3Very high12 Ų1234.5 Ų34.57%0.07416%0.164CC..G310 helixtrans-58.8-29.7177.654.80000113.3A108 L111 V247 R251 E252A108-T249 PolarHBondContact O-OG1 3.26Å; L111-T249 HydrophobicContact CB-CG2 4.02Å; V247-T249 VanDerWaalsContact C-N 3.29Å; V247-T249 HydrophobicContact CG2-CG2 4.04Å; V247-T249 PolarHBondContact O-N 2.9Å; T249-R251 PolarHBondContact O-N 3.2Å; T249-E252 WeakPolarHBondContact O-CA 3.4Å; T249-E252 PolarHBondContact O-N 2.88Å
250Y89.4Confident93.1Very high59 Ų5936 Ų3623%0.23118%0.18CC..G310 helixtrans-66.6-17173.673.2-82.5000114.1A108 A248 E252 W307 P309 Q310 Y340A108-Y250 HydrophobicContact CB-CD1 4.33Å; A108-Y250 HydrophobicContact CB-CG 4.4Å; A248-Y250 HydrophobicContact CB-CD1 4.06Å; A248-Y250 HydrophobicContact CB-CE1 3.58Å; A248-Y250 PolarHBondContact O-N 2.99Å; Y250-E252 VanDerWaalsContact C-N 3.35Å; Y250-W307 HydrophobicContact CE2-CZ2 4.47Å; Y250-P309 WeakPolarHBondContact CE2-O 3.27Å; Y250-Q310 PolarHBondContact O-NE2 2.77Å; Y250-Q310 PolarHBondContact O-OE1 2.81Å; Y250-Y340 HydrophobicContact CE1-CD2 4.39Å; Y250-Y340 HydrophobicContact CE1-CE1 4.36Å; Y250-Y340 AromaticContact CE1-CE2 3.79Å; Y250-Y340 HydrophobicContact CE1-CE2 3.79Å; Y250-Y340 AromaticContact CE1-CZ 3.77Å
251R89.9Confident92.7Very high49 Ų4942.1 Ų42.119%0.18521%0.209CC..G310 helixtrans-101.117.2170.7-61.2-178.9165.9-150.8-10.5111.8A248 T249 F253 V308 E311A248-R251 HydrophobicContact CB-CB 4.15Å; A248-R251 HydrophobicContact CB-CG 4.15Å; A248-R251 CarbonylContact O-C 3.56Å; A248-R251 WeakPolarHBondContact O-CA 3.42Å; A248-R251 WeakPolarHBondContact O-CB 3.3Å; A248-R251 PolarHBondContact O-N 2.93Å; T249-R251 PolarHBondContact O-N 3.2Å; R251-F253 PolarHBondContact O-N 3.16Å; R251-V308 PolarHBondContact NH2-O 3.23Å; R251-E311 HydrophobicContact CB-CG 4.31Å; R251-E311 HydrophobicContact CG-CG 4.42Å; R251-E311 IonicContact CZ-OE1 3.3Å; R251-E311 IonicContact NH1-OE1 2.83Å; R251-E311 PolarHBondContact NH1-OE1 3.41Å; R251-E311 IonicContact NH2-OE1 2.8Å
252E89.9Confident92.4Very high95 Ų9542.5 Ų42.544%0.44421%0.212SC..THydrogen-bonded Turntrans61.826.9178.2-59.3-167-151.700114.8K127 T249 Y250 P254 L316K127-E252 HydrophobicContact CD-CG 4.03Å; K127-E252 WeakPolarHBondContact CD-OE2 3.42Å; K127-E252 IonicContact NZ-OE2 3.95Å; K127-E252 PolarHBondContact NZ-OE2 3.45Å; T249-E252 WeakPolarHBondContact O-CA 3.4Å; T249-E252 PolarHBondContact O-N 2.88Å; Y250-E252 VanDerWaalsContact C-N 3.35Å; E252-P254 WeakPolarHBondContact O-CD 3.49Å; E252-L316 HydrophobicContact CB-CD2 4.26Å
253F93.4Very high92.3Very high8 Ų843.6 Ų43.64%0.03522%0.218CC..PPolyproline II helixtrans-61.1124.2174.6-162.7-86.4000110V247 A248 R251 Y319 L323 E344 Y348V247-F253 HydrophobicContact CB-CB 4.29Å; V247-F253 HydrophobicContact CB-CD1 3.69Å; V247-F253 HydrophobicContact CB-CE1 4.31Å; V247-F253 HydrophobicContact CB-CG 4.15Å; V247-F253 HydrophobicContact CG1-CD1 3.87Å; V247-F253 HydrophobicContact CG1-CE1 3.99Å; V247-F253 HydrophobicContact CG2-CB 4.3Å; V247-F253 HydrophobicContact CG2-CD1 3.89Å; V247-F253 HydrophobicContact CG2-CG 4.46Å; A248-F253 PolarHBondContact O-N 3.46Å; R251-F253 PolarHBondContact O-N 3.16Å; F253-Y319 HydrophobicContact CD2-CD1 4.5Å; F253-Y319 HydrophobicContact CD2-CE1 4.22Å; F253-Y319 HydrophobicContact CE2-CD1 4.28Å; F253-Y319 AromaticContact CE2-CE1 3.91Å; F253-Y319 HydrophobicContact CE2-CE1 3.91Å; F253-L323 HydrophobicContact CE2-CD1 3.79Å; F253-L323 HydrophobicContact CZ-CD1 3.92Å; F253-E344 HydrophobicContact CD1-CG 4.02Å; F253-E344 HydrophobicContact CD2-CB 4.27Å; F253-E344 HydrophobicContact CD2-CG 3.68Å; F253-E344 HydrophobicContact CE1-CB 4.1Å; F253-E344 HydrophobicContact CE1-CG 3.88Å; F253-E344 HydrophobicContact CE2-CB 3.59Å; F253-E344 HydrophobicContact CE2-CG 3.54Å; F253-E344 HydrophobicContact CG-CG 3.91Å; F253-E344 HydrophobicContact CZ-CB 3.46Å; F253-E344 VanDerWaalsContact CZ-CB 3.46Å; F253-E344 HydrophobicContact CZ-CG 3.61Å; F253-Y348 HydrophobicContact CE1-CE2 4.23Å; F253-Y348 HydrophobicContact CE2-CE2 4.16Å; F253-Y348 AromaticContact CZ-CD2 3.9Å; F253-Y348 HydrophobicContact CZ-CD2 3.9Å; F253-Y348 AromaticContact CZ-CE2 3.51Å; F253-Y348 HydrophobicContact CZ-CE2 3.51Å
254P92.5Very high92.1Very high44 Ų4447.7 Ų47.729%0.28624%0.243SC..PPolyproline II helixtrans-80159.8-171.432.9-38.2000112.3H116 E252 I256H116-P254 PolarHBondContact CE1-O 3.41Å; E252-P254 WeakPolarHBondContact O-CD 3.49Å; P254-I256 HydrophobicContact CB-CD1 4.24Å; P254-I256 HydrophobicContact CG-CD1 3.62Å; P254-I256 HydrophobicContact CG-CG1 4.25Å; P254-I256 PolarHBondContact O-N 3.33Å
255M91.9Very high91.8Very high56 Ų5649.7 Ų49.728%0.27626%0.257SS..PPolyproline II helixtrans-70.6117.8160.2-179.5-164.5-79.300109.4E115 E119E115-M255 WeakPolarHBondContact O-CE 3.41Å; E119-M255 HydrophobicContact CB-CE 4.2Å; E119-M255 HydrophobicContact CG-CE 3.81Å
256I93.2Very high91.7Very high36 Ų3655.3 Ų55.319%0.18529%0.287CS..PPolyproline II helixtrans-99.5125174.1-56.8-57.1000109.4P254 L262 S347 Y348P254-I256 HydrophobicContact CB-CD1 4.24Å; P254-I256 HydrophobicContact CG-CD1 3.62Å; P254-I256 HydrophobicContact CG-CG1 4.25Å; P254-I256 PolarHBondContact O-N 3.33Å; I256-L262 HydrophobicContact CG2-CD1 3.7Å; I256-S347 VanDerWaalsContact CG2-O 3.31Å; I256-S347 WeakPolarHBondContact CG2-O 3.24Å; I256-Y348 HydrophobicContact CD1-CE1 4.46Å; I256-Y348 HydrophobicContact CD1-CE2 4.19Å; I256-Y348 WeakPolarHBondContact CD1-OH 3.32Å; I256-Y348 HydrophobicContact CG1-CD2 4.28Å; I256-Y348 HydrophobicContact CG1-CE1 4.45Å; I256-Y348 HydrophobicContact CG1-CE2 3.63Å
257R89.2Confident91.6Very high179 Ų17955.7 Ų55.768%0.67529%0.288SS*.PPolyproline II helixtrans-90.7132.5169.8-67.5-175178.8169-0.7109.3N259R257-N259 PolarHBondContact O-N 2.86Å
258P87.3Confident91.6Very high63 Ų6360 Ų6041%0.40932%0.316SS..PPolyproline II helixtrans-53.4134.6173.3-25.334000110.8L413P258-L413 HydrophobicContact CB-CB 4.44Å; P258-L413 HydrophobicContact CG-CB 4.37Å; P258-L413 HydrophobicContact CG-CD2 4.36Å
259N89.4Confident91.6Very high70 Ų7063.3 Ų63.337%0.37433%0.329SS..  trans-136.9164.817465.438.8000109.7R257 Q261 L262 I263R257-N259 PolarHBondContact O-N 2.86Å; N259-Q261 PolarHBondContact O-N 3.23Å; N259-Q261 PolarHBondContact OD1-N 3.46Å; N259-Q261 PolarHBondContact OD1-OE1 2.66Å; N259-L262 PolarHBondContact O-N 3.11Å; N259-L262 WeakPolarHBondContact OD1-CG 3.48Å; N259-L262 PolarHBondContact OD1-N 3Å; N259-I263 PolarHBondContact O-N 2.87Å
260A89.9Confident91.8Very high62 Ų6263.5 Ų63.551%0.51233%0.329SS..Hα-helixtrans-58.6-36.8-177.200000112.1L262 I263 T264A260-L262 PolarHBondContact O-N 2.98Å; A260-I263 PolarHBondContact O-N 2.87Å; A260-I263 VanDerWaalsContact O-N 3.16Å; A260-T264 PolarHBondContact O-N 2.86Å; A260-T264 PolarHBondContact O-OG1 3.49Å
261Q89.6Confident92.2Very high130 Ų13060.7 Ų60.761%0.60732%0.318SS*.Hα-helixtrans-64-40-179.4-63.683.4100112.4N259 I263 S265N259-Q261 PolarHBondContact O-N 3.23Å; N259-Q261 PolarHBondContact OD1-N 3.46Å; N259-Q261 PolarHBondContact OD1-OE1 2.66Å; Q261-I263 PolarHBondContact O-N 3.04Å; Q261-S265 WeakPolarHBondContact O-CB 3.45Å; Q261-S265 PolarHBondContact O-N 3.12Å; Q261-S265 VanDerWaalsContact O-N 3.11Å; Q261-S265 PolarHBondContact O-OG 3.12Å
262L90.4Very high92.6Very high17 Ų1758.4 Ų58.49%0.08931%0.31CS..Hα-helixtrans-62.8-32.6176.7-73.8170.5000112I256 N259 A260 R267 Y348 R409 L413I256-L262 HydrophobicContact CG2-CD1 3.7Å; N259-L262 PolarHBondContact O-N 3.11Å; N259-L262 WeakPolarHBondContact OD1-CG 3.48Å; N259-L262 PolarHBondContact OD1-N 3Å; A260-L262 PolarHBondContact O-N 2.98Å; L262-R267 PolarHBondContact O-NH2 3.18Å; L262-R267 VanDerWaalsContact O-NH2 3.11Å; L262-Y348 HydrophobicContact CD2-CD1 3.87Å; L262-R409 PolarHBondContact O-NH1 3.26Å; L262-L413 HydrophobicContact CB-CD1 4.37Å
263I92.5Very high92.9Very high32 Ų3253.9 Ų53.916%0.16429%0.289CS..Hα-helixtrans-83.2-44.9-176.5-62.7168.3000112.1N259 A260 Q261 V406 R409 R410 L413N259-I263 PolarHBondContact O-N 2.87Å; A260-I263 PolarHBondContact O-N 2.87Å; A260-I263 VanDerWaalsContact O-N 3.16Å; Q261-I263 PolarHBondContact O-N 3.04Å; I263-V406 HydrophobicContact CG2-CG1 3.87Å; I263-R409 PolarHBondContact O-NE 3.01Å; I263-R409 PolarHBondContact O-NH1 3.27Å; I263-R409 PolarHBondContact O-NH2 2.87Å; I263-R410 HydrophobicContact CG2-CB 4.14Å; I263-L413 HydrophobicContact CD1-CD1 4.37Å; I263-L413 HydrophobicContact CG1-CD1 3.58Å
264T92.6Very high92.9Very high87 Ų8754.4 Ų54.453%0.53429%0.292SS..Hα-helixtrans-99.7-17.9-169.162.20000114.5A260 V406A260-T264 PolarHBondContact O-N 2.86Å; A260-T264 PolarHBondContact O-OG1 3.49Å; T264-V406 HydrophobicContact CG2-CG1 4.48Å
265S91.9Very high92.7Very high42 Ų4253.1 Ų53.129%0.29429%0.287SS..PPolyproline II helixtrans-56.4141.8-177.450.40000112.1Q261 R409Q261-S265 WeakPolarHBondContact O-CB 3.45Å; Q261-S265 PolarHBondContact O-N 3.12Å; Q261-S265 VanDerWaalsContact O-N 3.11Å; Q261-S265 PolarHBondContact O-OG 3.12Å; S265-R409 PolarHBondContact O-NH1 3.03Å; S265-R409 PolarHBondContact O-NH2 3.17Å; S265-R409 PolarHBondContact OG-NH1 2.93Å
266N93.3Very high92.5Very high120 Ų12051 Ų5164%0.64228%0.276SS*.PPolyproline II helixtrans-78.2131.8168.5-166.411.9000109.2Q402N266-Q402 PolarHBondContact OD1-OE1 3.01Å
267R94.9Very high92.4Very high7 Ų750.8 Ų50.83%0.02628%0.277CS..PPolyproline II helixtrans-103.9124.1-175.7-65.1-171.6177.9-177.13.4109.6L262 Y269 A324 Q325 S326 E327 Y348 G349L262-R267 PolarHBondContact O-NH2 3.18Å; L262-R267 VanDerWaalsContact O-NH2 3.11Å; R267-Y269 VanDerWaalsContact C-N 3.3Å; R267-Y269 PolarHBondContact O-N 3.44Å; R267-A324 PolarHBondContact NE-O 2.96Å; R267-Q325 WeakPolarHBondContact CB-O 3.47Å; R267-S326 WeakPolarHBondContact CD-O 3.22Å; R267-S326 PolarHBondContact NH1-O 3.33Å; R267-E327 HydrophobicContact CB-CG 4.27Å; R267-E327 WeakPolarHBondContact CB-OE1 3.39Å; R267-Y348 PolarHBondContact NH2-O 2.85Å; R267-G349 PolarHBondContact NH1-O 3.3Å; R267-G349 PolarHBondContact NH2-O 3.4Å
268P94.5Very high92.2Very high90 Ų9046.4 Ų46.458%0.58426%0.261SS*.SBendtrans-72.2-20.8-175.727.1-35.1000113.9Q325P268-Q325 WeakPolarHBondContact CD-O 3.44Å; P268-Q325 HydrophobicContact CG-CB 4.08Å
269Y96.1Very high92.2Very high72 Ų7252.3 Ų52.328%0.28228%0.28SS..EExtended strand (participates in β ladder)trans-109.9140.3-177.3-55.2-73000111.5R267 L300 Q325 S326 E327R267-Y269 VanDerWaalsContact C-N 3.3Å; R267-Y269 PolarHBondContact O-N 3.44Å; Y269-L300 HydrophobicContact CD1-CB 4.32Å; Y269-L300 HydrophobicContact CD2-CB 4.26Å; Y269-L300 HydrophobicContact CE1-CD1 4.33Å; Y269-L300 HydrophobicContact CE2-CD1 4.34Å; Y269-L300 HydrophobicContact CG-CB 4.18Å; Y269-Q325 HydrophobicContact CD2-CB 4Å; Y269-Q325 HydrophobicContact CE2-CB 4.33Å; Y269-Q325 PolarHBondContact N-O 3.07Å; Y269-Q325 VanDerWaalsContact N-O 3.15Å; Y269-S326 VanDerWaalsContact O-CA 3.31Å; Y269-S326 WeakPolarHBondContact O-CA 3.27Å; Y269-E327 PolarHBondContact O-N 2.9Å
270L96.2Very high92.1Very high16 Ų1656.7 Ų56.78%0.08430%0.304CS..EExtended strand (participates in β ladder)trans-72.9-37.3172.6-69.4-174.8000111E298 L328 L394 E397L270-E298 HydrophobicContact CD1-CB 4.31Å; L270-E298 WeakPolarHBondContact CD1-OE2 3.33Å; L270-E298 HydrophobicContact CG-CB 4.5Å; L270-E298 PolarHBondContact N-O 2.93Å; L270-L328 WeakPolarHBondContact O-CB 3.25Å; L270-L328 WeakPolarHBondContact O-CG 3.45Å; L270-L328 PolarHBondContact O-N 3.11Å; L270-L394 HydrophobicContact CB-CD2 4.45Å; L270-E397 HydrophobicContact CD2-CG 4.33Å
271C97.6Very high92.2Very high0 Ų055 Ų550%029%0.288CS..EExtended strand (participates in β ladder)trans-147.7170179.986.20000114.1C299 L300 L328 L330 L394C271-C299 HydrophobicContact CB-CB 4.15Å; C271-C299 WeakPolarHBondContact CB-SG 3.22Å; C271-C299 CarbonylContact O-C 3.58Å; C271-C299 WeakPolarHBondContact O-CA 3.38Å; C271-C299 WeakPolarHBondContact O-CB 3.47Å; C271-C299 WeakPolarHBondContact SG-CB 3.22Å; C271-C299 CovalentContact SG-SG 2.02Å; C271-C299 PolarHBondContact SG-SG 2.92Å; C271-L300 PolarHBondContact O-N 3.09Å; C271-L328 CarbonylContact C-O 3.55Å; C271-L328 WeakPolarHBondContact CA-O 3.48Å; C271-L328 HydrophobicContact CB-CB 3.88Å; C271-L330 HydrophobicContact CB-CD2 4.17Å; C271-L330 HydrophobicContact CB-CG 4.2Å; C271-L330 WeakPolarHBondContact SG-CD1 3.48Å; C271-L394 HydrophobicContact CB-CD2 4.17Å
272N97.8Very high92.4Very high0 Ų049.9 Ų49.90%027%0.267CS..EExtended strand (participates in β ladder)trans-139.6152.8168.273.397.4000112.5L274 L300 A322 S326 L328 T329 L330N272-L274 HydrophobicContact CB-CD1 4.1Å; N272-L300 CarbonylContact C-O 3.5Å; N272-L300 WeakPolarHBondContact CA-O 3.38Å; N272-L300 HydrophobicContact CB-CB 4.14Å; N272-L300 WeakPolarHBondContact CB-O 3.35Å; N272-A322 HydrophobicContact CB-CB 4.12Å; N272-S326 WeakPolarHBondContact CB-OG 3.43Å; N272-S326 WeakPolarHBondContact ND2-CB 3.25Å; N272-L328 PolarHBondContact N-O 2.86Å; N272-L328 PolarHBondContact ND2-O 3.25Å; N272-T329 PolarHBondContact ND2-OG1 2.88Å; N272-L330 PolarHBondContact O-N 3.47Å
273F96.1Very high92.5Very high0 Ų050.3 Ų50.30%027%0.267CS..EExtended strand (participates in β ladder)trans-145.7113166.8175.8-107.1000110.6V277 R283 L286 M287 L300 T301 T302 L330 P332F273-V277 HydrophobicContact CE1-CG2 3.88Å; F273-V277 HydrophobicContact CZ-CG2 4.38Å; F273-R283 HydrophobicContact CZ-CB 4.29Å; F273-R283 HydrophobicContact CZ-CG 4.36Å; F273-L286 HydrophobicContact CD1-CD2 4.45Å; F273-L286 HydrophobicContact CD2-CD2 3.92Å; F273-L286 HydrophobicContact CE2-CD2 4.25Å; F273-L286 HydrophobicContact CG-CD2 4.03Å; F273-M287 HydrophobicContact CD1-SD 3.57Å; F273-M287 VanDerWaalsContact CD1-SD 3.57Å; F273-M287 HydrophobicContact CE1-CG 4.35Å; F273-M287 HydrophobicContact CE1-SD 3.85Å; F273-L300 PolarHBondContact N-O 3.44Å; F273-T301 CarbonylContact O-C 3.42Å; F273-T301 VanDerWaalsContact O-CA 3.29Å; F273-T301 WeakPolarHBondContact O-CA 3.46Å; F273-T302 PolarHBondContact O-N 3.2Å; F273-L330 HydrophobicContact CB-CB 4.21Å; F273-L330 HydrophobicContact CB-CD1 4.16Å; F273-L330 HydrophobicContact CD2-CB 4.48Å; F273-P332 HydrophobicContact CD2-CG 3.99Å; F273-P332 HydrophobicContact CE2-CG 3.36Å; F273-P332 HydrophobicContact CZ-CG 4.04Å
274L93.1Very high92.6Very high20 Ų2052.4 Ų52.411%0.10528%0.276CS..EExtended strand (participates in β ladder)trans-121.8125.2172.3-68.284.6000109N272 T302 Y319 A322 R341N272-L274 HydrophobicContact CB-CD1 4.1Å; L274-T302 WeakPolarHBondContact CA-O 3.37Å; L274-Y319 HydrophobicContact CB-CD2 3.91Å; L274-Y319 HydrophobicContact CB-CE2 4.31Å; L274-Y319 HydrophobicContact CD1-CD2 4.37Å; L274-Y319 HydrophobicContact CD2-CD2 4.22Å; L274-Y319 HydrophobicContact CG-CD2 4.39Å; L274-A322 HydrophobicContact CD1-CB 3.41Å; L274-A322 VanDerWaalsContact CD1-CB 3.41Å; L274-A322 HydrophobicContact CD2-CB 4.4Å; L274-R341 PolarHBondContact O-NE 2.95Å; L274-R341 PolarHBondContact O-NH2 3.19Å
275G89.9Confident92.7Very high17 Ų1751.4 Ų51.418%0.17527%0.27CS..EExtended strand (participates in β ladder)trans167.3173.8-179.400000115T302 A303 R304G275-T302 PolarHBondContact N-O 3.38Å; G275-A303 WeakPolarHBondContact O-CA 3.33Å; G275-R304 PolarHBondContact O-N 2.92Å
276T87.9Confident92.8Very high10 Ų1049.4 Ų49.46%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-76.2130.6175-530000110.4Y278 R283 R304 K306 W307T276-Y278 HydrophobicContact CG2-CD1 4.07Å; T276-Y278 HydrophobicContact CG2-CE1 3.62Å; T276-Y278 HydrophobicContact CG2-CE2 4.27Å; T276-R283 WeakPolarHBondContact O-CD 3.19Å; T276-R283 PolarHBondContact O-NH1 2.84Å; T276-R304 CarbonylContact C-O 3.53Å; T276-R304 WeakPolarHBondContact CA-O 3.34Å; T276-K306 PolarHBondContact OG1-O 3.24Å; T276-W307 HydrophobicContact CG2-CB 4.31Å; T276-W307 WeakPolarHBondContact OG1-CA 3.2Å
277V89.6Confident92.9Very high32 Ų3244.7 Ų44.719%0.19423%0.23CC..  trans-102.8110.2175.5-179.30000107.9F273 R283 E284 M287 A303 R304F273-V277 HydrophobicContact CE1-CG2 3.88Å; F273-V277 HydrophobicContact CZ-CG2 4.38Å; V277-R283 HydrophobicContact CB-CB 4.5Å; V277-R283 HydrophobicContact CG1-CB 4.16Å; V277-R283 HydrophobicContact CG2-CB 4.36Å; V277-E284 HydrophobicContact CG1-CB 4.22Å; V277-M287 HydrophobicContact CG2-CG 3.88Å; V277-A303 HydrophobicContact CG2-CB 3.67Å; V277-R304 PolarHBondContact N-O 3.09Å
278Y85.9Confident92.8Very high88 Ų8847.7 Ų47.735%0.34525%0.247SC..  trans-86.9149.2177.2-56.4-75000109.9T276 S281T276-Y278 HydrophobicContact CG2-CD1 4.07Å; T276-Y278 HydrophobicContact CG2-CE1 3.62Å; T276-Y278 HydrophobicContact CG2-CE2 4.27Å; Y278-S281 WeakPolarHBondContact O-CB 3.34Å; Y278-S281 PolarHBondContact O-N 3.37Å; Y278-S281 PolarHBondContact O-OG 3.26Å
279K87.8Confident92.8Very high186 Ų18644 Ų4481%0.80922%0.223SC*.THydrogen-bonded Turntrans-61.8143.9172.4-65.5-172.1176-173.30110.3S281K279-S281 PolarHBondContact O-N 3.4Å
280N87.6Confident92.7Very high162 Ų16240.7 Ų40.787%0.86621%0.21SC*.THydrogen-bonded Turntrans56.934.9178.9-54.5-28.2000112.4E284N280-E284 PolarHBondContact N-OE2 2.91Å
281S91.1Very high92.5Very high26 Ų2646.6 Ų46.618%0.18224%0.235CC..SBendtrans-116.8158.2178.174.80000111Y278 K279 R283 E284Y278-S281 WeakPolarHBondContact O-CB 3.34Å; Y278-S281 PolarHBondContact O-N 3.37Å; Y278-S281 PolarHBondContact O-OG 3.26Å; K279-S281 PolarHBondContact O-N 3.4Å; S281-R283 PolarHBondContact O-N 3.26Å; S281-R283 VanDerWaalsContact O-N 3.07Å; S281-R283 PolarHBondContact OG-N 3.37Å; S281-E284 VanDerWaalsContact O-CB 3.29Å; S281-E284 WeakPolarHBondContact O-CB 3.32Å; S281-E284 PolarHBondContact O-N 3.44Å
282S92.8Very high92.1Very high23 Ų2354.3 Ų54.316%0.16127%0.271CS..Hα-helixtrans-58.4-24.6175.3-164.40000113.3E284 V285 L286 E355 W387S282-E284 VanDerWaalsContact C-N 3.26Å; S282-E284 PolarHBondContact O-N 2.92Å; S282-V285 WeakPolarHBondContact O-CB 3.4Å; S282-V285 PolarHBondContact O-N 3.01Å; S282-L286 PolarHBondContact O-N 3.31Å; S282-E355 WeakPolarHBondContact CB-OE1 3.38Å; S282-E355 VanDerWaalsContact CB-OE2 3.25Å; S282-E355 WeakPolarHBondContact CB-OE2 3.35Å; S282-E355 PolarHBondContact OG-OE1 2.96Å; S282-E355 PolarHBondContact OG-OE2 2.87Å; S282-W387 PolarHBondContact OG-NE1 2.99Å; S282-W387 VanDerWaalsContact OG-NE1 3.16Å
283R94Very high91.5Very high27 Ų2757 Ų5710%0.10229%0.29CS..Hα-helixtrans-63.1-32.9174.1-53-175.2177.5-175.6-1.1112.5F273 T276 V277 S281 M287 P332 V333F273-R283 HydrophobicContact CZ-CB 4.29Å; F273-R283 HydrophobicContact CZ-CG 4.36Å; T276-R283 WeakPolarHBondContact O-CD 3.19Å; T276-R283 PolarHBondContact O-NH1 2.84Å; V277-R283 HydrophobicContact CB-CB 4.5Å; V277-R283 HydrophobicContact CG1-CB 4.16Å; V277-R283 HydrophobicContact CG2-CB 4.36Å; S281-R283 PolarHBondContact O-N 3.26Å; S281-R283 VanDerWaalsContact O-N 3.07Å; S281-R283 PolarHBondContact OG-N 3.37Å; R283-M287 VanDerWaalsContact O-CG 3.25Å; R283-M287 WeakPolarHBondContact O-CG 3.23Å; R283-M287 PolarHBondContact O-N 3.26Å; R283-P332 HydrophobicContact CB-CG 4.46Å; R283-P332 HydrophobicContact CG-CB 3.91Å; R283-P332 HydrophobicContact CG-CG 3.73Å; R283-V333 PolarHBondContact NE-O 3.37Å
284E93.8Very high91Very high75 Ų7558.8 Ų58.835%0.3531%0.308SS..Hα-helixtrans-69.2-42.9175.1-174.8171.3-160.500110.6V277 N280 S281 S282 L286 M287 N288V277-E284 HydrophobicContact CG1-CB 4.22Å; N280-E284 PolarHBondContact N-OE2 2.91Å; S281-E284 VanDerWaalsContact O-CB 3.29Å; S281-E284 WeakPolarHBondContact O-CB 3.32Å; S281-E284 PolarHBondContact O-N 3.44Å; S282-E284 VanDerWaalsContact C-N 3.26Å; S282-E284 PolarHBondContact O-N 2.92Å; E284-L286 PolarHBondContact O-N 2.89Å; E284-M287 PolarHBondContact O-N 3.45Å; E284-N288 WeakPolarHBondContact O-CB 3.32Å; E284-N288 VanDerWaalsContact O-CG 3.23Å; E284-N288 PolarHBondContact O-N 2.79Å; E284-N288 PolarHBondContact O-ND2 2.96Å
285V94.5Very high90.7Very high66 Ų6658.4 Ų58.440%0.431%0.306SS..Hα-helixtrans-58.6-49174.1-176.50000110.4S282 M287 N288 V289 W387S282-V285 WeakPolarHBondContact O-CB 3.4Å; S282-V285 PolarHBondContact O-N 3.01Å; V285-M287 PolarHBondContact O-N 3.28Å; V285-N288 PolarHBondContact O-N 2.84Å; V285-N288 VanDerWaalsContact O-N 3.16Å; V285-V289 WeakPolarHBondContact O-CG2 3.24Å; V285-V289 PolarHBondContact O-N 2.95Å; V285-W387 HydrophobicContact CG1-CB 4.34Å
286L95Very high90.3Very high0 Ų061.1 Ų61.10%032%0.316CS..Hα-helixtrans-55.2-49.5176173.661.5000112.2F273 S282 E284 N288 V289 L290 L330 P332 W387 L390F273-L286 HydrophobicContact CD1-CD2 4.45Å; F273-L286 HydrophobicContact CD2-CD2 3.92Å; F273-L286 HydrophobicContact CE2-CD2 4.25Å; F273-L286 HydrophobicContact CG-CD2 4.03Å; S282-L286 PolarHBondContact O-N 3.31Å; E284-L286 PolarHBondContact O-N 2.89Å; L286-N288 VanDerWaalsContact C-N 3.28Å; L286-N288 PolarHBondContact O-N 3.15Å; L286-V289 PolarHBondContact O-N 3.36Å; L286-L290 HydrophobicContact CD1-CD1 4.18Å; L286-L290 HydrophobicContact CD1-CG 4.35Å; L286-L290 HydrophobicContact CG-CD1 4.19Å; L286-L290 WeakPolarHBondContact O-CG 3.39Å; L286-L290 PolarHBondContact O-N 3.38Å; L286-L330 HydrophobicContact CD1-CD1 3.77Å; L286-L330 HydrophobicContact CD2-CB 3.99Å; L286-L330 HydrophobicContact CD2-CD1 4.16Å; L286-L330 HydrophobicContact CG-CD1 4.38Å; L286-P332 HydrophobicContact CD2-CB 4.08Å; L286-P332 HydrophobicContact CD2-CG 3.63Å; L286-W387 HydrophobicContact CB-CB 4.47Å; L286-W387 HydrophobicContact CB-CD2 4.01Å; L286-W387 HydrophobicContact CB-CG 3.9Å; L286-W387 HydrophobicContact CD1-CB 4.49Å; L286-W387 HydrophobicContact CD1-CD2 3.57Å; L286-W387 HydrophobicContact CD1-CE3 3.29Å; L286-W387 HydrophobicContact CD1-CG 4.1Å; L286-W387 HydrophobicContact CD1-CH2 4.46Å; L286-W387 HydrophobicContact CD1-CZ3 3.77Å; L286-W387 HydrophobicContact CD2-CD2 4.48Å; L286-W387 HydrophobicContact CD2-CZ2 4.43Å; L286-W387 HydrophobicContact CG-CD2 4.2Å; L286-W387 HydrophobicContact CG-CE3 4.33Å; L286-L390 HydrophobicContact CD1-CD2 3.52Å
287M94.3Very high90.1Very high22 Ų2269 Ų6911%0.10835%0.35CS..Hα-helixtrans-63.9-35179.6-70.9-56-59.300112.2F273 V277 R283 E284 V285 L290 K291 A303F273-M287 HydrophobicContact CD1-SD 3.57Å; F273-M287 VanDerWaalsContact CD1-SD 3.57Å; F273-M287 HydrophobicContact CE1-CG 4.35Å; F273-M287 HydrophobicContact CE1-SD 3.85Å; V277-M287 HydrophobicContact CG2-CG 3.88Å; R283-M287 VanDerWaalsContact O-CG 3.25Å; R283-M287 WeakPolarHBondContact O-CG 3.23Å; R283-M287 PolarHBondContact O-N 3.26Å; E284-M287 PolarHBondContact O-N 3.45Å; V285-M287 PolarHBondContact O-N 3.28Å; M287-L290 HydrophobicContact SD-CD1 4.28Å; M287-K291 WeakPolarHBondContact O-CG 3.24Å; M287-K291 PolarHBondContact O-N 2.88Å; M287-K291 VanDerWaalsContact O-N 3.16Å; M287-A303 HydrophobicContact CE-CB 4.26Å
288N93.9Very high90.1Very high69 Ų6970.2 Ų70.237%0.36935%0.353SS..Hα-helixtrans-67.8-43.8176-71.7-20.5000111.6E284 V285 L286 L290 K291 Q292E284-N288 WeakPolarHBondContact O-CB 3.32Å; E284-N288 VanDerWaalsContact O-CG 3.23Å; E284-N288 PolarHBondContact O-N 2.79Å; E284-N288 PolarHBondContact O-ND2 2.96Å; V285-N288 PolarHBondContact O-N 2.84Å; V285-N288 VanDerWaalsContact O-N 3.16Å; L286-N288 VanDerWaalsContact C-N 3.28Å; L286-N288 PolarHBondContact O-N 3.15Å; N288-L290 VanDerWaalsContact C-N 3.34Å; N288-L290 PolarHBondContact O-N 2.83Å; N288-K291 PolarHBondContact O-N 3.46Å; N288-Q292 WeakPolarHBondContact O-CB 3.32Å; N288-Q292 VanDerWaalsContact O-CG 3.31Å; N288-Q292 WeakPolarHBondContact O-CG 3.3Å; N288-Q292 PolarHBondContact O-N 2.79Å
289V94.9Very high90.5Very high14 Ų1466.2 Ų66.29%0.08534%0.338CS..Hα-helixtrans-60-44.8176.31710000111.2V285 L286 K291 Q292 S293 L390 P391V285-V289 WeakPolarHBondContact O-CG2 3.24Å; V285-V289 PolarHBondContact O-N 2.95Å; L286-V289 PolarHBondContact O-N 3.36Å; V289-K291 VanDerWaalsContact C-N 3.35Å; V289-K291 PolarHBondContact O-N 3.06Å; V289-Q292 PolarHBondContact O-N 3.39Å; V289-S293 VanDerWaalsContact O-CB 3.29Å; V289-S293 WeakPolarHBondContact O-CB 3.47Å; V289-S293 PolarHBondContact O-N 3.39Å; V289-S293 VanDerWaalsContact O-N 3.09Å; V289-S293 PolarHBondContact O-OG 2.9Å; V289-L390 HydrophobicContact CG1-CB 4.35Å; V289-P391 HydrophobicContact CG1-CG 3.9Å
290L93.4Very high90.8Very high1 Ų158.8 Ų58.81%0.00531%0.307CS..Hα-helixtrans-59.5-44.4177.7-74.2169.1000112L286 M287 N288 G294 L295 D296 C299 T301 L330 L390L286-L290 HydrophobicContact CD1-CD1 4.18Å; L286-L290 HydrophobicContact CD1-CG 4.35Å; L286-L290 HydrophobicContact CG-CD1 4.19Å; L286-L290 WeakPolarHBondContact O-CG 3.39Å; L286-L290 PolarHBondContact O-N 3.38Å; M287-L290 HydrophobicContact SD-CD1 4.28Å; N288-L290 VanDerWaalsContact C-N 3.34Å; N288-L290 PolarHBondContact O-N 2.83Å; L290-G294 PolarHBondContact O-N 2.8Å; L290-L295 HydrophobicContact CD2-CB 3.96Å; L290-L295 PolarHBondContact O-N 3.48Å; L290-D296 PolarHBondContact O-N 2.85Å; L290-C299 HydrophobicContact CD2-CB 4.4Å; L290-T301 HydrophobicContact CD1-CG2 3.87Å; L290-L330 HydrophobicContact CD1-CD1 3.98Å; L290-L330 HydrophobicContact CD2-CD1 4.31Å; L290-L390 HydrophobicContact CD2-CD2 3.79Å; L290-L390 HydrophobicContact CG-CD2 4.16Å
291K91.9Very high91Very high140 Ų14053 Ų5361%0.60928%0.278SS*.Hα-helixtrans-68.5-48.3178.8-73.4176.8-179.6-179.40112.7M287 N288 V289 S293 G294M287-K291 WeakPolarHBondContact O-CG 3.24Å; M287-K291 PolarHBondContact O-N 2.88Å; M287-K291 VanDerWaalsContact O-N 3.16Å; N288-K291 PolarHBondContact O-N 3.46Å; V289-K291 VanDerWaalsContact C-N 3.35Å; V289-K291 PolarHBondContact O-N 3.06Å; K291-S293 VanDerWaalsContact C-N 3.26Å; K291-S293 PolarHBondContact O-N 3.06Å; K291-G294 PolarHBondContact O-N 2.84Å
292Q89.8Confident90.8Very high162 Ų16253.2 Ų53.276%0.75728%0.278SS*.Hα-helixtrans-65.5-32.1-175.7-73.6176.1-5.600112.4N288 V289N288-Q292 WeakPolarHBondContact O-CB 3.32Å; N288-Q292 VanDerWaalsContact O-CG 3.31Å; N288-Q292 WeakPolarHBondContact O-CG 3.3Å; N288-Q292 PolarHBondContact O-N 2.79Å; V289-Q292 PolarHBondContact O-N 3.39Å
293S84.8Confident90.4Very high57 Ų5754.6 Ų54.640%0.39929%0.29SS..THydrogen-bonded Turntrans-89-0.7-178.8-48.90000113.3V289 K291 L295V289-S293 VanDerWaalsContact O-CB 3.29Å; V289-S293 WeakPolarHBondContact O-CB 3.47Å; V289-S293 PolarHBondContact O-N 3.39Å; V289-S293 VanDerWaalsContact O-N 3.09Å; V289-S293 PolarHBondContact O-OG 2.9Å; K291-S293 VanDerWaalsContact C-N 3.26Å; K291-S293 PolarHBondContact O-N 3.06Å; S293-L295 PolarHBondContact O-N 3.37Å
294G85.5Confident89.9Confident37 Ų3757.2 Ų57.238%0.38130%0.3SS..THydrogen-bonded Turntrans65.419.8-175.700000114.6L290 K291 D296L290-G294 PolarHBondContact O-N 2.8Å; K291-G294 PolarHBondContact O-N 2.84Å; G294-D296 VanDerWaalsContact C-N 3.3Å
295L86.6Confident89.1Confident12 Ų1261.9 Ų61.96%0.06332%0.322CS..G310 helixtrans-84.5-6.7-176.7-65.4168000112.6L290 S293 K297 E298 C299 P391 L394L290-L295 HydrophobicContact CD2-CB 3.96Å; L290-L295 PolarHBondContact O-N 3.48Å; S293-L295 PolarHBondContact O-N 3.37Å; L295-K297 PolarHBondContact O-N 3.28Å; L295-E298 PolarHBondContact O-N 3.18Å; L295-C299 PolarHBondContact O-N 3.26Å; L295-C299 VanDerWaalsContact O-N 3.11Å; L295-P391 HydrophobicContact CD1-CB 4.27Å; L295-P391 HydrophobicContact CD1-CG 4.23Å; L295-L394 HydrophobicContact CB-CD1 4.28Å; L295-L394 HydrophobicContact CD1-CD1 3.81Å; L295-L394 HydrophobicContact CD2-CD1 3.93Å; L295-L394 HydrophobicContact CG-CD1 4.2Å
296D80.5Confident88.3Confident74 Ų7466.6 Ų66.640%0.39634%0.337SS..G310 helixtrans-60.3-22.6177.466.2-45000113.2L290 G294 C299L290-D296 PolarHBondContact O-N 2.85Å; G294-D296 VanDerWaalsContact C-N 3.3Å; D296-C299 VanDerWaalsContact O-O 3.06Å
297K84.5Confident87.5Confident177 Ų17771.8 Ų71.877%0.7736%0.357SS*.G310 helixtrans-82.8-26.6175-62.2179-175.5174.50113.6L295L295-K297 PolarHBondContact O-N 3.28Å
298E89.4Confident86.8Confident57 Ų5773.5 Ų73.527%0.26637%0.369SS..THydrogen-bonded Turntrans-91.5-14.5-178.9-67.1178.7-114.100112L270 L295 R398L270-E298 HydrophobicContact CD1-CB 4.31Å; L270-E298 WeakPolarHBondContact CD1-OE2 3.33Å; L270-E298 HydrophobicContact CG-CB 4.5Å; L270-E298 PolarHBondContact N-O 2.93Å; L295-E298 PolarHBondContact O-N 3.18Å; E298-R398 IonicContact OE1-NH2 2.8Å; E298-R398 PolarHBondContact OE1-NH2 3.41Å; E298-R398 IonicContact OE2-CZ 3.2Å; E298-R398 IonicContact OE2-NE 3.7Å; E298-R398 IonicContact OE2-NH2 3.46Å; E298-R398 PolarHBondContact OE2-NH2 3.47Å
299C93.7Very high85.8Confident3 Ų373.6 Ų73.62%0.0237%0.373CS..EExtended strand (participates in β ladder)trans-121.1132.5-178.7-65.80000113.1C271 L290 L295 D296 T301C271-C299 HydrophobicContact CB-CB 4.15Å; C271-C299 WeakPolarHBondContact CB-SG 3.22Å; C271-C299 CarbonylContact O-C 3.58Å; C271-C299 WeakPolarHBondContact O-CA 3.38Å; C271-C299 WeakPolarHBondContact O-CB 3.47Å; C271-C299 WeakPolarHBondContact SG-CB 3.22Å; C271-C299 CovalentContact SG-SG 2.02Å; C271-C299 PolarHBondContact SG-SG 2.92Å; L290-C299 HydrophobicContact CD2-CB 4.4Å; L295-C299 PolarHBondContact O-N 3.26Å; L295-C299 VanDerWaalsContact O-N 3.11Å; D296-C299 VanDerWaalsContact O-O 3.06Å; C299-T301 HydrophobicContact CB-CG2 4.4Å; C299-T301 PolarHBondContact O-N 3.46Å
300L94.4Very high85.1Confident31 Ų3178.2 Ų78.216%0.16239%0.394CS..EExtended strand (participates in β ladder)trans-75.6103.1175.6-168.774.8000110Y269 C271 N272 F273 A322Y269-L300 HydrophobicContact CD1-CB 4.32Å; Y269-L300 HydrophobicContact CD2-CB 4.26Å; Y269-L300 HydrophobicContact CE1-CD1 4.33Å; Y269-L300 HydrophobicContact CE2-CD1 4.34Å; Y269-L300 HydrophobicContact CG-CB 4.18Å; C271-L300 PolarHBondContact O-N 3.09Å; N272-L300 CarbonylContact C-O 3.5Å; N272-L300 WeakPolarHBondContact CA-O 3.38Å; N272-L300 HydrophobicContact CB-CB 4.14Å; N272-L300 WeakPolarHBondContact CB-O 3.35Å; F273-L300 PolarHBondContact N-O 3.44Å; L300-A322 HydrophobicContact CD2-CB 3.48Å; L300-A322 VanDerWaalsContact CD2-CB 3.48Å
301T91.9Very high84.6Confident41 Ų4180 Ų8025%0.25240%0.402SS..EExtended strand (participates in β ladder)trans-108.6137.6179.662.10000111.7F273 L290 C299F273-T301 CarbonylContact O-C 3.42Å; F273-T301 VanDerWaalsContact O-CA 3.29Å; F273-T301 WeakPolarHBondContact O-CA 3.46Å; L290-T301 HydrophobicContact CD1-CG2 3.87Å; C299-T301 HydrophobicContact CB-CG2 4.4Å; C299-T301 PolarHBondContact O-N 3.46Å
302T87.8Confident84.4Confident30 Ų3077.5 Ų77.518%0.18440%0.399CS..EExtended strand (participates in β ladder)trans-146.292.4168.6-55.40000108.4F273 L274 G275 R318F273-T302 PolarHBondContact O-N 3.2Å; L274-T302 WeakPolarHBondContact CA-O 3.37Å; G275-T302 PolarHBondContact N-O 3.38Å; T302-R318 PolarHBondContact OG1-NH2 2.73Å
303A83.8Confident84.3Confident51 Ų5174.5 Ų74.542%0.42139%0.391SS..EExtended strand (participates in β ladder)trans-82.4143.9175.700000110.7G275 V277 M287G275-A303 WeakPolarHBondContact O-CA 3.33Å; V277-A303 HydrophobicContact CG2-CB 3.67Å; M287-A303 HydrophobicContact CE-CB 4.26Å
304R82.9Confident84.5Confident82 Ų8279.1 Ų79.131%0.30941%0.407SS..EExtended strand (participates in β ladder)trans-120.6145167.9-58.9-178.8-174.1164.15.1109G275 T276 V277 E311G275-R304 PolarHBondContact O-N 2.92Å; T276-R304 CarbonylContact C-O 3.53Å; T276-R304 WeakPolarHBondContact CA-O 3.34Å; V277-R304 PolarHBondContact N-O 3.09Å; R304-E311 IonicContact CZ-OE1 3.58Å; R304-E311 IonicContact CZ-OE2 3.48Å; R304-E311 VanDerWaalsContact CZ-OE2 3.3Å; R304-E311 IonicContact NH1-OE1 3.35Å; R304-E311 PolarHBondContact NH1-OE1 3.03Å; R304-E311 VanDerWaalsContact NH1-OE1 3.12Å; R304-E311 IonicContact NH1-OE2 2.71Å; R304-E311 PolarHBondContact NH1-OE2 3.07Å; R304-E311 IonicContact NH2-OE2 2.78Å; R304-E311 PolarHBondContact NH2-OE2 2.99Å
305E77.1Confident84.8Confident173 Ų17378.2 Ų78.281%0.80839%0.394SS*.SBendtrans-78.1-33.4175.3-64-175.1172.500112.2
306K78.7Confident85Confident166 Ų16678.8 Ų78.872%0.72240%0.398SS*.SBendtrans-115.2143.9-177.2-65.2-176.5-178177.90111.3T276T276-K306 PolarHBondContact OG1-O 3.24Å
307W78.7Confident85.6Confident108 Ų10883.2 Ų83.241%0.40941%0.409SS..  trans-81137.3172.6-178.988.6000110Y250 T276 P309Y250-W307 HydrophobicContact CE2-CZ2 4.47Å; T276-W307 HydrophobicContact CG2-CB 4.31Å; T276-W307 WeakPolarHBondContact OG1-CA 3.2Å; W307-P309 HydrophobicContact CH2-CB 3.59Å; W307-P309 HydrophobicContact CZ2-CB 4.41Å; W307-P309 HydrophobicContact CZ3-CB 3.77Å; W307-P309 HydrophobicContact CZ3-CG 4.35Å
308V79.5Confident86Confident59 Ų5981 Ų8136%0.35840%0.395SS..  trans-122.4140.2174.8-67.90000109.6R251R251-V308 PolarHBondContact NH2-O 3.23Å
309P73.1Confident86.3Confident70 Ų7079.8 Ų79.846%0.45539%0.389SS..SBendtrans-71.7-38.5-175.125.2-32.5000113Y250 W307Y250-P309 WeakPolarHBondContact CE2-O 3.27Å; W307-P309 HydrophobicContact CH2-CB 3.59Å; W307-P309 HydrophobicContact CZ2-CB 4.41Å; W307-P309 HydrophobicContact CZ3-CB 3.77Å; W307-P309 HydrophobicContact CZ3-CG 4.35Å
310Q78.6Confident86.4Confident111 Ų11181.6 Ų81.652%0.51940%0.397SS..SBendtrans-111.8141.1-176.4-66.1-60.3-19.800110.9Y250Y250-Q310 PolarHBondContact O-NE2 2.77Å; Y250-Q310 PolarHBondContact O-OE1 2.81Å
311E82.8Confident86.5Confident40 Ų4083 Ų8319%0.18741%0.407CS..  trans-92144170.8-65.6-62.715600109.3R251 R304 S315 L316R251-E311 HydrophobicContact CB-CG 4.31Å; R251-E311 HydrophobicContact CG-CG 4.42Å; R251-E311 IonicContact CZ-OE1 3.3Å; R251-E311 IonicContact NH1-OE1 2.83Å; R251-E311 PolarHBondContact NH1-OE1 3.41Å; R251-E311 IonicContact NH2-OE1 2.8Å; R304-E311 IonicContact CZ-OE1 3.58Å; R304-E311 IonicContact CZ-OE2 3.48Å; R304-E311 VanDerWaalsContact CZ-OE2 3.3Å; R304-E311 IonicContact NH1-OE1 3.35Å; R304-E311 PolarHBondContact NH1-OE1 3.03Å; R304-E311 VanDerWaalsContact NH1-OE1 3.12Å; R304-E311 IonicContact NH1-OE2 2.71Å; R304-E311 PolarHBondContact NH1-OE2 3.07Å; R304-E311 IonicContact NH2-OE2 2.78Å; R304-E311 PolarHBondContact NH2-OE2 2.99Å; E311-S315 WeakPolarHBondContact CB-OG 3.39Å; E311-S315 WeakPolarHBondContact OE2-CB 3.29Å; E311-S315 PolarHBondContact OE2-OG 2.79Å; E311-L316 HydrophobicContact CB-CB 4.29Å
312T87.4Confident86.7Confident87 Ų8781 Ų8153%0.53440%0.395SS..  trans-74.5155.7165.869.80000109.7E314 S315 L316T312-E314 PolarHBondContact O-N 3.48Å; T312-E314 VanDerWaalsContact O-N 3.14Å; T312-S315 PolarHBondContact N-OG 3.1Å; T312-S315 PolarHBondContact O-N 3.33Å; T312-S315 PolarHBondContact O-OG 3.25Å; T312-S315 WeakPolarHBondContact OG1-CB 3.47Å; T312-S315 PolarHBondContact OG1-N 3.42Å; T312-S315 VanDerWaalsContact OG1-N 3.12Å; T312-S315 PolarHBondContact OG1-OG 2.99Å; T312-S315 VanDerWaalsContact OG1-OG 3.04Å; T312-L316 PolarHBondContact O-N 3.22Å
313T87.9Confident87.1Confident98 Ų9879.6 Ų79.660%0.60139%0.386SS*.Hα-helixtrans-51.9-38.9175.4-50.30000112.5R317T313-R317 WeakPolarHBondContact O-CB 3.39Å; T313-R317 VanDerWaalsContact O-CG 3.25Å; T313-R317 WeakPolarHBondContact O-CG 3.43Å; T313-R317 PolarHBondContact O-N 3.44Å
314E90.3Very high87.7Confident154 Ų15478.5 Ų78.572%0.7238%0.377SS*.Hα-helixtrans-66.9-47.6177.1-174-175.5171.700111.8T312 L316 R317 R318T312-E314 PolarHBondContact O-N 3.48Å; T312-E314 VanDerWaalsContact O-N 3.14Å; E314-L316 PolarHBondContact O-N 3.02Å; E314-R317 PolarHBondContact O-N 3.21Å; E314-R318 WeakPolarHBondContact O-CB 3.42Å; E314-R318 PolarHBondContact O-N 3.12Å
315S90.2Very high88.3Confident18 Ų1878.2 Ų78.213%0.12638%0.379CS..Hα-helixtrans-66.1-37.5179.9630000113.1E311 T312 R318 Y319E311-S315 WeakPolarHBondContact CB-OG 3.39Å; E311-S315 WeakPolarHBondContact OE2-CB 3.29Å; E311-S315 PolarHBondContact OE2-OG 2.79Å; T312-S315 PolarHBondContact N-OG 3.1Å; T312-S315 PolarHBondContact O-N 3.33Å; T312-S315 PolarHBondContact O-OG 3.25Å; T312-S315 WeakPolarHBondContact OG1-CB 3.47Å; T312-S315 PolarHBondContact OG1-N 3.42Å; T312-S315 VanDerWaalsContact OG1-N 3.12Å; T312-S315 PolarHBondContact OG1-OG 2.99Å; T312-S315 VanDerWaalsContact OG1-OG 3.04Å; S315-R318 PolarHBondContact O-N 3.17Å; S315-Y319 WeakPolarHBondContact O-CB 3.37Å; S315-Y319 PolarHBondContact O-N 3.39Å
316L91.2Very high89.3Confident25 Ų2570 Ų7013%0.13134%0.34CS..Hα-helixtrans-63.9-47.3173.2177.361.2000110.7E252 E311 T312 E314 R318 Y319 Q320E252-L316 HydrophobicContact CB-CD2 4.26Å; E311-L316 HydrophobicContact CB-CB 4.29Å; T312-L316 PolarHBondContact O-N 3.22Å; E314-L316 PolarHBondContact O-N 3.02Å; L316-R318 VanDerWaalsContact C-N 3.35Å; L316-R318 PolarHBondContact O-N 2.93Å; L316-Y319 WeakPolarHBondContact O-CB 3.14Å; L316-Y319 PolarHBondContact O-N 2.78Å; L316-Q320 HydrophobicContact CD1-CG 4.38Å; L316-Q320 WeakPolarHBondContact O-CG 3.48Å; L316-Q320 PolarHBondContact O-N 3.06Å
317R93.4Very high90.2Very high167 Ų16762.3 Ų62.363%0.6331%0.307SS*.Hα-helixtrans-58.8-46.2175.6-78.7176.9-178174.61.9111.5T313 E314 Y319 Q320 T321T313-R317 WeakPolarHBondContact O-CB 3.39Å; T313-R317 VanDerWaalsContact O-CG 3.25Å; T313-R317 WeakPolarHBondContact O-CG 3.43Å; T313-R317 PolarHBondContact O-N 3.44Å; E314-R317 PolarHBondContact O-N 3.21Å; R317-Y319 VanDerWaalsContact C-N 3.27Å; R317-Y319 PolarHBondContact O-N 3.3Å; R317-Q320 PolarHBondContact O-N 3.42Å; R317-T321 WeakPolarHBondContact O-CB 3.3Å; R317-T321 PolarHBondContact O-N 2.83Å; R317-T321 PolarHBondContact O-OG1 3.34Å
318R94Very high91.1Very high130 Ų13057.1 Ų57.149%0.49129%0.287SS..Hα-helixtrans-58.5-41176.8-177175176.4164.30.3111.7T302 E314 S315 L316 T321 A322T302-R318 PolarHBondContact OG1-NH2 2.73Å; E314-R318 WeakPolarHBondContact O-CB 3.42Å; E314-R318 PolarHBondContact O-N 3.12Å; S315-R318 PolarHBondContact O-N 3.17Å; L316-R318 VanDerWaalsContact C-N 3.35Å; L316-R318 PolarHBondContact O-N 2.93Å; R318-T321 PolarHBondContact O-N 3.13Å; R318-A322 PolarHBondContact O-N 2.79Å
319Y95.6Very high92Very high32 Ų3254.3 Ų54.313%0.12527%0.27CS..Hα-helixtrans-66.4-45176.1179.9-124.3000112.4F253 L274 S315 L316 R317 T321 A322 L323 R341 E344F253-Y319 HydrophobicContact CD2-CD1 4.5Å; F253-Y319 HydrophobicContact CD2-CE1 4.22Å; F253-Y319 HydrophobicContact CE2-CD1 4.28Å; F253-Y319 AromaticContact CE2-CE1 3.91Å; F253-Y319 HydrophobicContact CE2-CE1 3.91Å; L274-Y319 HydrophobicContact CB-CD2 3.91Å; L274-Y319 HydrophobicContact CB-CE2 4.31Å; L274-Y319 HydrophobicContact CD1-CD2 4.37Å; L274-Y319 HydrophobicContact CD2-CD2 4.22Å; L274-Y319 HydrophobicContact CG-CD2 4.39Å; S315-Y319 WeakPolarHBondContact O-CB 3.37Å; S315-Y319 PolarHBondContact O-N 3.39Å; L316-Y319 WeakPolarHBondContact O-CB 3.14Å; L316-Y319 PolarHBondContact O-N 2.78Å; R317-Y319 VanDerWaalsContact C-N 3.27Å; R317-Y319 PolarHBondContact O-N 3.3Å; Y319-T321 VanDerWaalsContact C-N 3.3Å; Y319-T321 PolarHBondContact O-N 2.85Å; Y319-A322 WeakPolarHBondContact O-CB 3.37Å; Y319-A322 PolarHBondContact O-N 3.47Å; Y319-A322 VanDerWaalsContact O-N 3.1Å; Y319-L323 HydrophobicContact CD1-CD1 4.31Å; Y319-L323 HydrophobicContact CD2-CG 4.49Å; Y319-L323 HydrophobicContact CE1-CD1 3.87Å; Y319-L323 HydrophobicContact CE2-CD1 4.3Å; Y319-L323 HydrophobicContact CE2-CD2 4.06Å; Y319-L323 HydrophobicContact CE2-CG 4.16Å; Y319-L323 WeakPolarHBondContact O-CG 3.38Å; Y319-L323 PolarHBondContact O-N 2.71Å; Y319-R341 WeakPolarHBondContact OH-CG 3.33Å; Y319-E344 HydrophobicContact CE1-CB 4.39Å; Y319-E344 WeakPolarHBondContact CE1-OE2 3.44Å; Y319-E344 VanDerWaalsContact CZ-OE2 3.26Å; Y319-E344 PolarHBondContact OH-OE2 3Å
320Q95.6Very high93.2Very high41 Ų4151 Ų5119%0.19225%0.249CC..Hα-helixtrans-60.4-40.6174.5-69.9174.7-6.100112.1L316 R317 A322 L323 A324 Y348L316-Q320 HydrophobicContact CD1-CG 4.38Å; L316-Q320 WeakPolarHBondContact O-CG 3.48Å; L316-Q320 PolarHBondContact O-N 3.06Å; R317-Q320 PolarHBondContact O-N 3.42Å; Q320-A322 VanDerWaalsContact C-N 3.33Å; Q320-L323 PolarHBondContact O-N 2.87Å; Q320-A324 WeakPolarHBondContact O-CB 3.37Å; Q320-A324 PolarHBondContact O-N 2.99Å; Q320-Y348 HydrophobicContact CB-CE1 4.41Å; Q320-Y348 WeakPolarHBondContact CB-OH 3.17Å; Q320-Y348 HydrophobicContact CG-CE2 4.31Å; Q320-Y348 WeakPolarHBondContact CG-OH 3.44Å
321T95.1Very high94.1Very high60 Ų6045.7 Ų45.737%0.36822%0.224SC..Hα-helixtrans-61.3-42.3173.4-60.20000111.2R317 R318 Y319 L323 A324 Q325R317-T321 WeakPolarHBondContact O-CB 3.3Å; R317-T321 PolarHBondContact O-N 2.83Å; R317-T321 PolarHBondContact O-OG1 3.34Å; R318-T321 PolarHBondContact O-N 3.13Å; Y319-T321 VanDerWaalsContact C-N 3.3Å; Y319-T321 PolarHBondContact O-N 2.85Å; T321-L323 VanDerWaalsContact C-N 3.34Å; T321-L323 PolarHBondContact O-N 3.12Å; T321-A324 PolarHBondContact O-N 3Å; T321-Q325 HydrophobicContact CG2-CG 4.03Å; T321-Q325 VanDerWaalsContact CG2-OE1 3.3Å; T321-Q325 VanDerWaalsContact O-CB 3.23Å; T321-Q325 WeakPolarHBondContact O-CB 3.3Å; T321-Q325 WeakPolarHBondContact O-CG 3.28Å; T321-Q325 PolarHBondContact O-N 2.91Å
322A96.6Very high94.7Very high0 Ų043.8 Ų43.80%022%0.215CC..Hα-helixtrans-56-49175.400000111.9N272 L274 L300 R318 Y319 Q320 Q325 S326N272-A322 HydrophobicContact CB-CB 4.12Å; L274-A322 HydrophobicContact CD1-CB 3.41Å; L274-A322 VanDerWaalsContact CD1-CB 3.41Å; L274-A322 HydrophobicContact CD2-CB 4.4Å; L300-A322 HydrophobicContact CD2-CB 3.48Å; L300-A322 VanDerWaalsContact CD2-CB 3.48Å; R318-A322 PolarHBondContact O-N 2.79Å; Y319-A322 WeakPolarHBondContact O-CB 3.37Å; Y319-A322 PolarHBondContact O-N 3.47Å; Y319-A322 VanDerWaalsContact O-N 3.1Å; Q320-A322 VanDerWaalsContact C-N 3.33Å; A322-Q325 PolarHBondContact O-N 3.07Å; A322-S326 VanDerWaalsContact O-CB 3.25Å; A322-S326 WeakPolarHBondContact O-CB 3.35Å; A322-S326 PolarHBondContact O-N 3.3Å; A322-S326 PolarHBondContact O-OG 2.76Å
323L97.2Very high95Very high0 Ų040.4 Ų40.40%019%0.194CC..Hα-helixtrans-64.6-42.4178.9-60.6175.6000111.5F253 Y319 Q320 T321 Q325 T329 E344 A345 Y348 S350F253-L323 HydrophobicContact CE2-CD1 3.79Å; F253-L323 HydrophobicContact CZ-CD1 3.92Å; Y319-L323 HydrophobicContact CD1-CD1 4.31Å; Y319-L323 HydrophobicContact CD2-CG 4.49Å; Y319-L323 HydrophobicContact CE1-CD1 3.87Å; Y319-L323 HydrophobicContact CE2-CD1 4.3Å; Y319-L323 HydrophobicContact CE2-CD2 4.06Å; Y319-L323 HydrophobicContact CE2-CG 4.16Å; Y319-L323 WeakPolarHBondContact O-CG 3.38Å; Y319-L323 PolarHBondContact O-N 2.71Å; Q320-L323 PolarHBondContact O-N 2.87Å; T321-L323 VanDerWaalsContact C-N 3.34Å; T321-L323 PolarHBondContact O-N 3.12Å; L323-Q325 PolarHBondContact O-N 2.74Å; L323-T329 HydrophobicContact CD2-CG2 3.97Å; L323-E344 HydrophobicContact CD1-CB 4Å; L323-A345 HydrophobicContact CD2-CB 4.24Å; L323-Y348 HydrophobicContact CB-CD1 4.38Å; L323-Y348 HydrophobicContact CB-CD2 3.84Å; L323-Y348 HydrophobicContact CB-CG 3.72Å; L323-Y348 HydrophobicContact CD1-CD2 3.73Å; L323-Y348 HydrophobicContact CD1-CE2 4.12Å; L323-Y348 HydrophobicContact CD1-CG 4.46Å; L323-Y348 HydrophobicContact CG-CD2 4.47Å; L323-S350 WeakPolarHBondContact O-CB 3.42Å
324A95.9Very high95Very high27 Ų2736.8 Ų36.822%0.22318%0.177CC..Hα-helixtrans-69.9-29.8-179.700000113.7R267 Q320 T321 Y348R267-A324 PolarHBondContact NE-O 2.96Å; Q320-A324 WeakPolarHBondContact O-CB 3.37Å; Q320-A324 PolarHBondContact O-N 2.99Å; T321-A324 PolarHBondContact O-N 3Å; A324-Y348 HydrophobicContact CB-CD1 3.76Å; A324-Y348 HydrophobicContact CB-CE1 4.16Å
325Q96.1Very high94.8Very high77 Ų7733.8 Ų33.836%0.3616%0.164SC..Hα-helixtrans-104.25.7-172.3-67.2-173.8-1700114.4R267 P268 Y269 T321 A322 L323R267-Q325 WeakPolarHBondContact CB-O 3.47Å; P268-Q325 WeakPolarHBondContact CD-O 3.44Å; P268-Q325 HydrophobicContact CG-CB 4.08Å; Y269-Q325 HydrophobicContact CD2-CB 4Å; Y269-Q325 HydrophobicContact CE2-CB 4.33Å; Y269-Q325 PolarHBondContact N-O 3.07Å; Y269-Q325 VanDerWaalsContact N-O 3.15Å; T321-Q325 HydrophobicContact CG2-CG 4.03Å; T321-Q325 VanDerWaalsContact CG2-OE1 3.3Å; T321-Q325 VanDerWaalsContact O-CB 3.23Å; T321-Q325 WeakPolarHBondContact O-CB 3.3Å; T321-Q325 WeakPolarHBondContact O-CG 3.28Å; T321-Q325 PolarHBondContact O-N 2.91Å; A322-Q325 PolarHBondContact O-N 3.07Å; L323-Q325 PolarHBondContact O-N 2.74Å
326S97.4Very high94.7Very high0 Ų033.5 Ų33.50%016%0.162CC..EExtended strand (participates in β ladder)trans-121.5136.2-179.3-48.80000112.2R267 Y269 N272 A322 S350R267-S326 WeakPolarHBondContact CD-O 3.22Å; R267-S326 PolarHBondContact NH1-O 3.33Å; Y269-S326 VanDerWaalsContact O-CA 3.31Å; Y269-S326 WeakPolarHBondContact O-CA 3.27Å; N272-S326 WeakPolarHBondContact CB-OG 3.43Å; N272-S326 WeakPolarHBondContact ND2-CB 3.25Å; A322-S326 VanDerWaalsContact O-CB 3.25Å; A322-S326 WeakPolarHBondContact O-CB 3.35Å; A322-S326 PolarHBondContact O-N 3.3Å; A322-S326 PolarHBondContact O-OG 2.76Å; S326-S350 WeakPolarHBondContact O-CB 3.46Å; S326-S350 PolarHBondContact O-OG 3.49Å
327E97.1Very high94.8Very high4 Ų432.4 Ų32.42%0.01916%0.156CC..EExtended strand (participates in β ladder)trans-64.7-44.6176.5-62.2-61.4170.600111.3R267 Y269 S350 V351 E397 R405 R409R267-E327 HydrophobicContact CB-CG 4.27Å; R267-E327 WeakPolarHBondContact CB-OE1 3.39Å; Y269-E327 PolarHBondContact O-N 2.9Å; E327-S350 CarbonylContact O-C 3.43Å; E327-S350 PolarHBondContact O-OG 3.05Å; E327-V351 PolarHBondContact O-N 3.41Å; E327-E397 HydrophobicContact CB-CG 4.46Å; E327-R405 WeakPolarHBondContact OE1-CD 3.33Å; E327-R405 IonicContact OE1-NH1 2.83Å; E327-R409 IonicContact OE2-NE 3.78Å
328L98.4Very high94.9Very high0 Ų024.8 Ų24.80%013%0.127CC..EExtended strand (participates in β ladder)trans-113.3151.7-179.4-51.8-177.3000112.2L270 C271 N272 S350 V351 V353 I382 I393 L394 E397L270-L328 WeakPolarHBondContact O-CB 3.25Å; L270-L328 WeakPolarHBondContact O-CG 3.45Å; L270-L328 PolarHBondContact O-N 3.11Å; C271-L328 CarbonylContact C-O 3.55Å; C271-L328 WeakPolarHBondContact CA-O 3.48Å; C271-L328 HydrophobicContact CB-CB 3.88Å; N272-L328 PolarHBondContact N-O 2.86Å; N272-L328 PolarHBondContact ND2-O 3.25Å; L328-S350 PolarHBondContact O-OG 3.14Å; L328-V351 WeakPolarHBondContact CA-O 3.48Å; L328-V351 HydrophobicContact CD2-CB 3.88Å; L328-V353 HydrophobicContact CB-CG2 4.06Å; L328-V353 HydrophobicContact CD1-CG2 3.97Å; L328-V353 HydrophobicContact CG-CG2 4.41Å; L328-I382 HydrophobicContact CD1-CD1 4.49Å; L328-I382 HydrophobicContact CD2-CD1 4.2Å; L328-I393 HydrophobicContact CD1-CG2 4.11Å; L328-L394 HydrophobicContact CD1-CD2 3.71Å; L328-E397 HydrophobicContact CD1-CB 4.4Å; L328-E397 HydrophobicContact CD1-CG 4.09Å; L328-E397 HydrophobicContact CG-CG 4.21Å
329T98.5Very high94.8Very high0 Ų019.3 Ų19.30%011%0.109CC..EExtended strand (participates in β ladder)trans-121.9122.4167.9-63.50000109.5N272 L323 R341 A345 S350 V351 P352 V353N272-T329 PolarHBondContact ND2-OG1 2.88Å; L323-T329 HydrophobicContact CD2-CG2 3.97Å; T329-R341 VanDerWaalsContact CG2-CD 3.46Å; T329-R341 HydrophobicContact CG2-CG 3.47Å; T329-R341 VanDerWaalsContact CG2-CG 3.47Å; T329-A345 HydrophobicContact CG2-CB 3.82Å; T329-A345 WeakPolarHBondContact OG1-CB 3.3Å; T329-S350 PolarHBondContact N-OG 3.19Å; T329-S350 WeakPolarHBondContact OG1-CB 3.38Å; T329-S350 PolarHBondContact OG1-OG 3.15Å; T329-V351 PolarHBondContact N-O 2.88Å; T329-P352 WeakPolarHBondContact O-CA 3.34Å; T329-V353 PolarHBondContact O-N 3Å
330L98.1Very high94.9Very high0 Ų020 Ų200%011%0.112CC..EExtended strand (participates in β ladder)trans-81.7121.1-178.4-50.9176.9000109.8C271 N272 F273 L286 L290 P332 R341 V353 W387 L390C271-L330 HydrophobicContact CB-CD2 4.17Å; C271-L330 HydrophobicContact CB-CG 4.2Å; C271-L330 WeakPolarHBondContact SG-CD1 3.48Å; N272-L330 PolarHBondContact O-N 3.47Å; F273-L330 HydrophobicContact CB-CB 4.21Å; F273-L330 HydrophobicContact CB-CD1 4.16Å; F273-L330 HydrophobicContact CD2-CB 4.48Å; L286-L330 HydrophobicContact CD1-CD1 3.77Å; L286-L330 HydrophobicContact CD2-CB 3.99Å; L286-L330 HydrophobicContact CD2-CD1 4.16Å; L286-L330 HydrophobicContact CG-CD1 4.38Å; L290-L330 HydrophobicContact CD1-CD1 3.98Å; L290-L330 HydrophobicContact CD2-CD1 4.31Å; L330-P332 WeakPolarHBondContact O-CD 3.24Å; L330-R341 WeakPolarHBondContact O-CD 3.4Å; L330-V353 HydrophobicContact CD2-CB 4.04Å; L330-V353 HydrophobicContact CD2-CG1 4.46Å; L330-V353 HydrophobicContact CD2-CG2 4.13Å; L330-W387 HydrophobicContact CB-CH2 4.17Å; L330-W387 HydrophobicContact CB-CZ3 4.31Å; L330-W387 HydrophobicContact CD2-CZ3 4.04Å; L330-L390 HydrophobicContact CD1-CD2 4.05Å; L330-L390 HydrophobicContact CD2-CD1 3.64Å; L330-L390 HydrophobicContact CD2-CD2 4.33Å
331C97.4Very high94.9Very high0 Ų018.9 Ų18.90%011%0.106CC..EExtended strand (participates in β ladder)trans-117.768.9-175.4-64.60000111.2I342 V353 V354 E355C331-I342 HydrophobicContact CB-CG1 3.97Å; C331-V353 WeakPolarHBondContact CA-O 3.31Å; C331-V353 WeakPolarHBondContact CB-O 3.38Å; C331-V353 PolarHBondContact N-O 3.25Å; C331-V354 HydrophobicContact CB-CG2 4.25Å; C331-E355 PolarHBondContact O-N 2.76Å
332P96.3Very high95Very high0 Ų016 Ų160%09%0.088CC..  trans-65.9147.4172.331.1-38.3000111.4F273 R283 L286 L330 E355 W387F273-P332 HydrophobicContact CD2-CG 3.99Å; F273-P332 HydrophobicContact CE2-CG 3.36Å; F273-P332 HydrophobicContact CZ-CG 4.04Å; R283-P332 HydrophobicContact CB-CG 4.46Å; R283-P332 HydrophobicContact CG-CB 3.91Å; R283-P332 HydrophobicContact CG-CG 3.73Å; L286-P332 HydrophobicContact CD2-CB 4.08Å; L286-P332 HydrophobicContact CD2-CG 3.63Å; L330-P332 WeakPolarHBondContact O-CD 3.24Å; P332-E355 WeakPolarHBondContact CA-OE2 3.41Å; P332-W387 HydrophobicContact CB-CZ2 3.62Å; P332-W387 HydrophobicContact CG-CZ2 4.4Å
333V93Very high95.1Very high15 Ų1516.1 Ų16.19%0.0919%0.089CC..  trans-57.2145.6178.5-57.20000110.3R283 T337 E355 V357 T359R283-V333 PolarHBondContact NE-O 3.37Å; V333-T337 HydrophobicContact CG1-CG2 3.89Å; V333-E355 HydrophobicContact CG1-CB 3.83Å; V333-E355 HydrophobicContact CG1-CG 3.77Å; V333-E355 WeakPolarHBondContact CG1-O 3.27Å; V333-E355 WeakPolarHBondContact CG2-OE2 3.31Å; V333-E355 PolarHBondContact N-OE2 3.46Å; V333-V357 HydrophobicContact CG1-CB 4.38Å; V333-T359 HydrophobicContact CB-CG2 3.99Å; V333-T359 HydrophobicContact CG1-CG2 4.46Å; V333-T359 HydrophobicContact CG2-CG2 4.25Å
334G87.2Confident95.2Very high23 Ų2316.6 Ų16.624%0.2379%0.091CC..  trans-103.9-135.4168.700000110.1N336G334-N336 PolarHBondContact N-O 2.78Å
335I86.4Confident95.3Very high90 Ų9015.3 Ų15.346%0.4628%0.08SC..SBendtrans-67.1-33.6166.3-57177000109.9E205 T359E205-I335 HydrophobicContact CB-CB 4.26Å; E205-I335 HydrophobicContact CB-CG2 3.6Å; E205-I335 HydrophobicContact CG-CB 4.49Å; E205-I335 HydrophobicContact CG-CG2 4.26Å; I335-T359 VanDerWaalsContact O-CB 3.31Å; I335-T359 WeakPolarHBondContact O-CB 3.3Å; I335-T359 PolarHBondContact O-OG1 2.97Å
336N88.9Confident95.4Very high12 Ų1211.7 Ų11.76%0.0646%0.063CC..SBendtrans-115.8155.9168.5-157.1-43.3000110.1E205 Y230 G334 E338E205-N336 HydrophobicContact CB-CB 4.12Å; E205-N336 HydrophobicContact CG-CB 4.25Å; E205-N336 PolarHBondContact O-ND2 3.45Å; Y230-N336 WeakPolarHBondContact CB-ND2 3.31Å; Y230-N336 HydrophobicContact CD1-CB 4.33Å; Y230-N336 WeakPolarHBondContact CD1-ND2 3.45Å; Y230-N336 HydrophobicContact CE1-CB 4.03Å; Y230-N336 WeakPolarHBondContact CE1-ND2 3.39Å; G334-N336 PolarHBondContact N-O 2.78Å; N336-E338 PolarHBondContact OD1-N 3.06Å
337T92.6Very high95.4Very high2 Ų211.9 Ų11.91%0.0127%0.065CC..SBendtrans-66.5-45.4172.7-44.70000111.2V333 C339 E355 V357 P370 L371V333-T337 HydrophobicContact CG1-CG2 3.89Å; T337-C339 PolarHBondContact O-N 3.37Å; T337-E355 VanDerWaalsContact CG2-O 3.27Å; T337-E355 WeakPolarHBondContact CG2-O 3.42Å; T337-V357 WeakPolarHBondContact CG2-O 3.37Å; T337-V357 PolarHBondContact OG1-O 3.38Å; T337-P370 HydrophobicContact CG2-CB 3.83Å; T337-P370 HydrophobicContact CG2-CG 3.59Å; T337-L371 HydrophobicContact CG2-CD1 4.05Å; T337-L371 HydrophobicContact CG2-CD2 4.2Å; T337-L371 HydrophobicContact CG2-CG 4.02Å
338E94.7Very high95.4Very high7 Ų712.6 Ų12.63%0.0337%0.068CC..  trans-74.7127.5177-165.8-177.2161.500110.2Y230 L245 N336 Y343 L371Y230-E338 HydrophobicContact CD1-CB 4.08Å; Y230-E338 HydrophobicContact CE1-CB 4.31Å; L245-E338 HydrophobicContact CB-CG 4.14Å; L245-E338 WeakPolarHBondContact CB-OE1 3.41Å; L245-E338 PolarHBondContact N-OE1 2.99Å; N336-E338 PolarHBondContact OD1-N 3.06Å; E338-Y343 HydrophobicContact CG-CE2 4.11Å; E338-Y343 WeakPolarHBondContact OE1-CE2 3.5Å; E338-Y343 PolarHBondContact OE1-OH 3.05Å; E338-L371 HydrophobicContact CB-CD2 3.72Å; E338-L371 HydrophobicContact CG-CD2 4.06Å
339C93.8Very high95.3Very high16 Ų1612.6 Ų12.611%0.1087%0.068CC..  trans-140153.2-179.269.90000112.5T337 R341 I342T337-C339 PolarHBondContact O-N 3.37Å; C339-R341 PolarHBondContact O-N 2.86Å; C339-R341 VanDerWaalsContact O-N 3.07Å; C339-I342 WeakPolarHBondContact O-CB 3.36Å; C339-I342 PolarHBondContact O-N 3.29Å; C339-I342 VanDerWaalsContact O-N 3.08Å
340Y95.8Very high95.3Very high45 Ų4512.6 Ų12.618%0.1767%0.068CC..Hα-helixtrans-52.5-35.3-178.2-60.8-73.7000113.1I109 L245 G246 V247 A248 Y250 I342 Y343 E344I109-Y340 HydrophobicContact CD1-CE1 4.41Å; L245-Y340 HydrophobicContact CD1-CD1 4.41Å; L245-Y340 HydrophobicContact CD1-CE1 3.69Å; L245-Y340 HydrophobicContact CD2-CD1 3.91Å; L245-Y340 HydrophobicContact CD2-CD2 4.2Å; L245-Y340 HydrophobicContact CD2-CE1 3.96Å; L245-Y340 HydrophobicContact CD2-CE2 4.21Å; L245-Y340 HydrophobicContact CD2-CG 4.04Å; L245-Y340 HydrophobicContact CG-CD1 3.8Å; L245-Y340 HydrophobicContact CG-CE1 3.57Å; L245-Y340 HydrophobicContact CG-CG 4.43Å; G246-Y340 WeakPolarHBondContact O-CA 3.05Å; G246-Y340 VanDerWaalsContact O-CD1 3.3Å; G246-Y340 WeakPolarHBondContact O-CD1 3.49Å; V247-Y340 VanDerWaalsContact C-CD1 3.41Å; A248-Y340 HydrophobicContact CB-CD1 3.93Å; A248-Y340 HydrophobicContact CB-CD2 4.16Å; A248-Y340 HydrophobicContact CB-CE1 4.43Å; A248-Y340 HydrophobicContact CB-CG 3.77Å; Y250-Y340 HydrophobicContact CE1-CD2 4.39Å; Y250-Y340 HydrophobicContact CE1-CE1 4.36Å; Y250-Y340 AromaticContact CE1-CE2 3.79Å; Y250-Y340 HydrophobicContact CE1-CE2 3.79Å; Y250-Y340 AromaticContact CE1-CZ 3.77Å; Y340-I342 PolarHBondContact O-N 3.12Å; Y340-I342 VanDerWaalsContact O-N 3.14Å; Y340-Y343 PolarHBondContact O-N 3.04Å; Y340-Y343 VanDerWaalsContact O-N 3.09Å; Y340-E344 VanDerWaalsContact O-CG 3.23Å; Y340-E344 WeakPolarHBondContact O-CG 3.38Å; Y340-E344 PolarHBondContact O-N 3.2Å
341R96.5Very high95.3Very high19 Ų1912.8 Ų12.87%0.0727%0.068CC..Hα-helixtrans-55.7-33.7-178.9-170.8-178.6-55.4111.5-4113L274 Y319 T329 L330 C339 E344 A345L274-R341 PolarHBondContact O-NE 2.95Å; L274-R341 PolarHBondContact O-NH2 3.19Å; Y319-R341 WeakPolarHBondContact OH-CG 3.33Å; T329-R341 VanDerWaalsContact CG2-CD 3.46Å; T329-R341 HydrophobicContact CG2-CG 3.47Å; T329-R341 VanDerWaalsContact CG2-CG 3.47Å; L330-R341 WeakPolarHBondContact O-CD 3.4Å; C339-R341 PolarHBondContact O-N 2.86Å; C339-R341 VanDerWaalsContact O-N 3.07Å; R341-E344 PolarHBondContact O-N 2.78Å; R341-A345 WeakPolarHBondContact O-CB 3.35Å; R341-A345 PolarHBondContact O-N 2.92Å
342I98.1Very high95.3Very high0 Ų012.8 Ų12.80%07%0.068CC..Hα-helixtrans-59-51.7178.6-62.7171.6000109.6C331 C339 Y340 C346 P352 V354 L371 L374 F381C331-I342 HydrophobicContact CB-CG1 3.97Å; C339-I342 WeakPolarHBondContact O-CB 3.36Å; C339-I342 PolarHBondContact O-N 3.29Å; C339-I342 VanDerWaalsContact O-N 3.08Å; Y340-I342 PolarHBondContact O-N 3.12Å; Y340-I342 VanDerWaalsContact O-N 3.14Å; I342-C346 PolarHBondContact O-N 2.79Å; I342-C346 VanDerWaalsContact O-N 3.12Å; I342-C346 PolarHBondContact O-SG 2.9Å; I342-P352 HydrophobicContact CG2-CB 4.38Å; I342-P352 HydrophobicContact CG2-CG 4.3Å; I342-V354 HydrophobicContact CD1-CG1 3.81Å; I342-V354 HydrophobicContact CD1-CG2 4.21Å; I342-V354 HydrophobicContact CG1-CG1 4.46Å; I342-V354 HydrophobicContact CG1-CG2 4.09Å; I342-L371 HydrophobicContact CD1-CD2 4.36Å; I342-L374 HydrophobicContact CG2-CD1 4.26Å; I342-F381 HydrophobicContact CG2-CD2 4.24Å; I342-F381 HydrophobicContact CG2-CE2 3.45Å; I342-F381 VanDerWaalsContact CG2-CE2 3.45Å; I342-F381 HydrophobicContact CG2-CZ 3.8Å
343Y98.2Very high95.4Very high1 Ų112.8 Ų12.80%0.0047%0.068CC..Hα-helixtrans-71-36.8-178.6-61.3-79.7000112.7P244 L245 G246 E338 Y340 C346 S347 L374 Y416 F419P244-Y343 HydrophobicContact CB-CE1 3.9Å; P244-Y343 WeakPolarHBondContact CB-OH 3.48Å; L245-Y343 HydrophobicContact CB-CE2 4.08Å; G246-Y343 VanDerWaalsContact CA-CG 3.48Å; G246-Y343 VanDerWaalsContact N-CE2 3.33Å; G246-Y343 WeakPolarHBondContact O-CB 2.69Å; G246-Y343 WeakPolarHBondContact O-CD2 3.46Å; E338-Y343 HydrophobicContact CG-CE2 4.11Å; E338-Y343 WeakPolarHBondContact OE1-CE2 3.5Å; E338-Y343 PolarHBondContact OE1-OH 3.05Å; Y340-Y343 PolarHBondContact O-N 3.04Å; Y340-Y343 VanDerWaalsContact O-N 3.09Å; Y343-C346 PolarHBondContact O-N 2.86Å; Y343-S347 PolarHBondContact O-N 3.38Å; Y343-S347 PolarHBondContact O-OG 3.16Å; Y343-L374 HydrophobicContact CE1-CD2 3.92Å; Y343-Y416 AromaticContact CD1-CE2 3.9Å; Y343-Y416 HydrophobicContact CD1-CE2 3.9Å; Y343-F419 AromaticContact CE1-CE1 3.89Å; Y343-F419 HydrophobicContact CE1-CE1 3.89Å; Y343-F419 HydrophobicContact CE1-CZ 4.43Å
344E98.1Very high95.7Very high11 Ų1112 Ų125%0.0516%0.064CC..Hα-helixtrans-65.7-42.2177.5-67.7167.8170.200110.8V247 A248 F253 Y319 L323 Y340 R341 S347 Y348V247-E344 HydrophobicContact CB-CG 3.82Å; V247-E344 HydrophobicContact CG1-CG 3.78Å; A248-E344 VanDerWaalsContact CB-OE1 3.23Å; A248-E344 WeakPolarHBondContact CB-OE1 3.49Å; A248-E344 PolarHBondContact N-OE1 3.46Å; F253-E344 HydrophobicContact CD1-CG 4.02Å; F253-E344 HydrophobicContact CD2-CB 4.27Å; F253-E344 HydrophobicContact CD2-CG 3.68Å; F253-E344 HydrophobicContact CE1-CB 4.1Å; F253-E344 HydrophobicContact CE1-CG 3.88Å; F253-E344 HydrophobicContact CE2-CB 3.59Å; F253-E344 HydrophobicContact CE2-CG 3.54Å; F253-E344 HydrophobicContact CG-CG 3.91Å; F253-E344 HydrophobicContact CZ-CB 3.46Å; F253-E344 VanDerWaalsContact CZ-CB 3.46Å; F253-E344 HydrophobicContact CZ-CG 3.61Å; Y319-E344 HydrophobicContact CE1-CB 4.39Å; Y319-E344 WeakPolarHBondContact CE1-OE2 3.44Å; Y319-E344 VanDerWaalsContact CZ-OE2 3.26Å; Y319-E344 PolarHBondContact OH-OE2 3Å; L323-E344 HydrophobicContact CD1-CB 4Å; Y340-E344 VanDerWaalsContact O-CG 3.23Å; Y340-E344 WeakPolarHBondContact O-CG 3.38Å; Y340-E344 PolarHBondContact O-N 3.2Å; R341-E344 PolarHBondContact O-N 2.78Å; E344-S347 WeakPolarHBondContact O-CB 3.3Å; E344-S347 PolarHBondContact O-N 3.45Å; E344-Y348 PolarHBondContact O-N 3.36Å
345A98.3Very high96.1Very high0 Ų011.5 Ų11.50%06%0.056CC..Hα-helixtrans-63.1-45174.500000112L323 T329 R341 S347 Y348 G349 S350 P352L323-A345 HydrophobicContact CD2-CB 4.24Å; T329-A345 HydrophobicContact CG2-CB 3.82Å; T329-A345 WeakPolarHBondContact OG1-CB 3.3Å; R341-A345 WeakPolarHBondContact O-CB 3.35Å; R341-A345 PolarHBondContact O-N 2.92Å; A345-S347 PolarHBondContact O-N 2.94Å; A345-Y348 PolarHBondContact O-N 3.35Å; A345-Y348 VanDerWaalsContact O-N 3.13Å; A345-G349 PolarHBondContact O-N 3.43Å; A345-G349 VanDerWaalsContact O-N 3.08Å; A345-S350 CarbonylContact C-O 3.6Å; A345-S350 VanDerWaalsContact C-O 3.27Å; A345-S350 WeakPolarHBondContact CB-O 3.35Å; A345-S350 PolarHBondContact O-N 3.48Å; A345-P352 HydrophobicContact CB-CG 4.14Å
346C98.1Very high96.5Very high0 Ų09.5 Ų9.50%05%0.046CC..Hα-helixtrans-56.1-39.5173-65.20000112.3I342 Y343 Y348 G349 F381 L412 L413 Y416I342-C346 PolarHBondContact O-N 2.79Å; I342-C346 VanDerWaalsContact O-N 3.12Å; I342-C346 PolarHBondContact O-SG 2.9Å; Y343-C346 PolarHBondContact O-N 2.86Å; C346-Y348 PolarHBondContact O-N 3.26Å; C346-G349 PolarHBondContact O-N 3.44Å; C346-G349 VanDerWaalsContact O-N 3.09Å; C346-F381 WeakPolarHBondContact SG-CE1 3.41Å; C346-F381 VanDerWaalsContact SG-CZ 3.55Å; C346-L412 HydrophobicContact CB-CD1 4.46Å; C346-L413 WeakPolarHBondContact O-CD2 3.29Å; C346-Y416 HydrophobicContact CB-CD1 3.78Å; C346-Y416 HydrophobicContact CB-CD2 3.8Å; C346-Y416 HydrophobicContact CB-CE1 4.26Å; C346-Y416 HydrophobicContact CB-CE2 4.3Å; C346-Y416 HydrophobicContact CB-CG 3.52Å
347S97.1Very high96.7Very high5 Ų511.4 Ų11.44%0.0356%0.058CC..Hα-helixtrans-62-28.4-179.5-54.40000113.3I256 Y343 E344 A345 Y416I256-S347 VanDerWaalsContact CG2-O 3.31Å; I256-S347 WeakPolarHBondContact CG2-O 3.24Å; Y343-S347 PolarHBondContact O-N 3.38Å; Y343-S347 PolarHBondContact O-OG 3.16Å; E344-S347 WeakPolarHBondContact O-CB 3.3Å; E344-S347 PolarHBondContact O-N 3.45Å; A345-S347 PolarHBondContact O-N 2.94Å; S347-Y416 WeakPolarHBondContact OG-CE1 3.5Å
348Y97.5Very high96.6Very high19 Ų1915.4 Ų15.48%0.0758%0.078CC..Hα-helixtrans-103.11.8178.2-79.5-92000113F253 I256 L262 R267 Q320 L323 A324 E344 A345 C346 S350F253-Y348 HydrophobicContact CE1-CE2 4.23Å; F253-Y348 HydrophobicContact CE2-CE2 4.16Å; F253-Y348 AromaticContact CZ-CD2 3.9Å; F253-Y348 HydrophobicContact CZ-CD2 3.9Å; F253-Y348 AromaticContact CZ-CE2 3.51Å; F253-Y348 HydrophobicContact CZ-CE2 3.51Å; I256-Y348 HydrophobicContact CD1-CE1 4.46Å; I256-Y348 HydrophobicContact CD1-CE2 4.19Å; I256-Y348 WeakPolarHBondContact CD1-OH 3.32Å; I256-Y348 HydrophobicContact CG1-CD2 4.28Å; I256-Y348 HydrophobicContact CG1-CE1 4.45Å; I256-Y348 HydrophobicContact CG1-CE2 3.63Å; L262-Y348 HydrophobicContact CD2-CD1 3.87Å; R267-Y348 PolarHBondContact NH2-O 2.85Å; Q320-Y348 HydrophobicContact CB-CE1 4.41Å; Q320-Y348 WeakPolarHBondContact CB-OH 3.17Å; Q320-Y348 HydrophobicContact CG-CE2 4.31Å; Q320-Y348 WeakPolarHBondContact CG-OH 3.44Å; L323-Y348 HydrophobicContact CB-CD1 4.38Å; L323-Y348 HydrophobicContact CB-CD2 3.84Å; L323-Y348 HydrophobicContact CB-CG 3.72Å; L323-Y348 HydrophobicContact CD1-CD2 3.73Å; L323-Y348 HydrophobicContact CD1-CE2 4.12Å; L323-Y348 HydrophobicContact CD1-CG 4.46Å; L323-Y348 HydrophobicContact CG-CD2 4.47Å; A324-Y348 HydrophobicContact CB-CD1 3.76Å; A324-Y348 HydrophobicContact CB-CE1 4.16Å; E344-Y348 PolarHBondContact O-N 3.36Å; A345-Y348 PolarHBondContact O-N 3.35Å; A345-Y348 VanDerWaalsContact O-N 3.13Å; C346-Y348 PolarHBondContact O-N 3.26Å; Y348-S350 VanDerWaalsContact C-N 3.25Å; Y348-S350 PolarHBondContact O-N 3.48Å
349G96.9Very high96.4Very high0 Ų015.9 Ų15.90%08%0.082CC..THydrogen-bonded Turntrans6627.1-174.700000112.6R267 A345 C346 R409R267-G349 PolarHBondContact NH1-O 3.3Å; R267-G349 PolarHBondContact NH2-O 3.4Å; A345-G349 PolarHBondContact O-N 3.43Å; A345-G349 VanDerWaalsContact O-N 3.08Å; C346-G349 PolarHBondContact O-N 3.44Å; C346-G349 VanDerWaalsContact O-N 3.09Å; G349-R409 WeakPolarHBondContact O-CG 3.37Å
350S97.8Very high96.2Very high0 Ų020.3 Ų20.30%011%0.111CC..PPolyproline II helixtrans-90.9123.8167.9-169.70000108.2L323 S326 E327 L328 T329 A345 Y348 P352 L412L323-S350 WeakPolarHBondContact O-CB 3.42Å; S326-S350 WeakPolarHBondContact O-CB 3.46Å; S326-S350 PolarHBondContact O-OG 3.49Å; E327-S350 CarbonylContact O-C 3.43Å; E327-S350 PolarHBondContact O-OG 3.05Å; L328-S350 PolarHBondContact O-OG 3.14Å; T329-S350 PolarHBondContact N-OG 3.19Å; T329-S350 WeakPolarHBondContact OG1-CB 3.38Å; T329-S350 PolarHBondContact OG1-OG 3.15Å; A345-S350 CarbonylContact C-O 3.6Å; A345-S350 VanDerWaalsContact C-O 3.27Å; A345-S350 WeakPolarHBondContact CB-O 3.35Å; A345-S350 PolarHBondContact O-N 3.48Å; Y348-S350 VanDerWaalsContact C-N 3.25Å; Y348-S350 PolarHBondContact O-N 3.48Å; S350-P352 VanDerWaalsContact O-CD 3.28Å; S350-P352 WeakPolarHBondContact O-CD 3.4Å; S350-L412 WeakPolarHBondContact O-CD2 3.39Å
351V98.4Very high95.8Very high3 Ų320.2 Ų20.22%0.01812%0.123CC..EExtended strand (participates in β ladder)trans-74.9122.2-167.9-177.30000110E327 L328 T329 V353 R408 L412E327-V351 PolarHBondContact O-N 3.41Å; L328-V351 WeakPolarHBondContact CA-O 3.48Å; L328-V351 HydrophobicContact CD2-CB 3.88Å; T329-V351 PolarHBondContact N-O 2.88Å; V351-V353 PolarHBondContact O-N 2.96Å; V351-R408 HydrophobicContact CG2-CG 3.98Å; V351-L412 HydrophobicContact CB-CD2 4.21Å; V351-L412 HydrophobicContact CG2-CD2 3.76Å
352P98.6Very high95.5Very high0 Ų024.5 Ų24.50%015%0.147CC..EExtended strand (participates in β ladder)trans-64.1128177.8-22.234.4000111.5T329 I342 A345 S350 V354 F381 I382T329-P352 WeakPolarHBondContact O-CA 3.34Å; I342-P352 HydrophobicContact CG2-CB 4.38Å; I342-P352 HydrophobicContact CG2-CG 4.3Å; A345-P352 HydrophobicContact CB-CG 4.14Å; S350-P352 VanDerWaalsContact O-CD 3.28Å; S350-P352 WeakPolarHBondContact O-CD 3.4Å; P352-V354 HydrophobicContact CB-CG2 3.54Å; P352-F381 HydrophobicContact CB-CB 4.45Å; P352-F381 HydrophobicContact CB-CD1 4.11Å; P352-F381 HydrophobicContact CB-CD2 4.35Å; P352-F381 HydrophobicContact CB-CE1 4.49Å; P352-F381 HydrophobicContact CB-CG 4.05Å; P352-F381 HydrophobicContact CG-CD1 3.73Å; P352-F381 HydrophobicContact CG-CE1 3.75Å; P352-F381 HydrophobicContact CG-CG 4.17Å; P352-F381 HydrophobicContact CG-CZ 4.15Å; P352-I382 PolarHBondContact O-N 3.38Å
353V98.5Very high95.2Very high0 Ų025.7 Ų25.70%016%0.155CC..EExtended strand (participates in β ladder)trans-98.8103.2161-176.20000106.1L328 T329 L330 C331 V351 I382 V384 W387L328-V353 HydrophobicContact CB-CG2 4.06Å; L328-V353 HydrophobicContact CD1-CG2 3.97Å; L328-V353 HydrophobicContact CG-CG2 4.41Å; T329-V353 PolarHBondContact O-N 3Å; L330-V353 HydrophobicContact CD2-CB 4.04Å; L330-V353 HydrophobicContact CD2-CG1 4.46Å; L330-V353 HydrophobicContact CD2-CG2 4.13Å; C331-V353 WeakPolarHBondContact CA-O 3.31Å; C331-V353 WeakPolarHBondContact CB-O 3.38Å; C331-V353 PolarHBondContact N-O 3.25Å; V351-V353 PolarHBondContact O-N 2.96Å; V353-I382 CarbonylContact C-O 3.46Å; V353-I382 VanDerWaalsContact CA-O 3.29Å; V353-I382 WeakPolarHBondContact CA-O 3.38Å; V353-I382 HydrophobicContact CG1-CB 4.42Å; V353-I382 HydrophobicContact CG1-CG2 4.24Å; V353-I382 HydrophobicContact CG2-CB 4.22Å; V353-I382 HydrophobicContact CG2-CD1 4.16Å; V353-V384 HydrophobicContact CG1-CG1 3.85Å; V353-V384 HydrophobicContact CG1-CG2 4.24Å; V353-W387 HydrophobicContact CB-CH2 4.5Å; V353-W387 HydrophobicContact CG1-CH2 4.06Å; V353-W387 HydrophobicContact CG1-CZ3 3.81Å
354V97.9Very high94.6Very high0 Ų026.5 Ų26.50%016%0.163CC..EExtended strand (participates in β ladder)trans-106.5127.3-167.9-171.90000109.8C331 I342 P352 D356 L371 F381 I382 F383 V384C331-V354 HydrophobicContact CB-CG2 4.25Å; I342-V354 HydrophobicContact CD1-CG1 3.81Å; I342-V354 HydrophobicContact CD1-CG2 4.21Å; I342-V354 HydrophobicContact CG1-CG1 4.46Å; I342-V354 HydrophobicContact CG1-CG2 4.09Å; P352-V354 HydrophobicContact CB-CG2 3.54Å; V354-D356 PolarHBondContact O-N 3.06Å; V354-L371 HydrophobicContact CG1-CD1 3.43Å; V354-L371 VanDerWaalsContact CG1-CD1 3.43Å; V354-F381 HydrophobicContact CG2-CB 4.27Å; V354-F381 HydrophobicContact CG2-CD2 3.9Å; V354-F381 HydrophobicContact CG2-CG 4.34Å; V354-I382 PolarHBondContact N-O 3.36Å; V354-F383 HydrophobicContact CB-CD1 4.18Å; V354-F383 HydrophobicContact CB-CE1 4.35Å; V354-F383 WeakPolarHBondContact O-CA 3.4Å; V354-V384 PolarHBondContact O-N 3Å
355E96.1Very high94Very high12 Ų1230 Ų306%0.05619%0.194CC..EExtended strand (participates in β ladder)trans-75.2112.2173-176178.8-171.500110.1S282 C331 P332 V333 T337 V357 V384 W387S282-E355 WeakPolarHBondContact CB-OE1 3.38Å; S282-E355 VanDerWaalsContact CB-OE2 3.25Å; S282-E355 WeakPolarHBondContact CB-OE2 3.35Å; S282-E355 PolarHBondContact OG-OE1 2.96Å; S282-E355 PolarHBondContact OG-OE2 2.87Å; C331-E355 PolarHBondContact O-N 2.76Å; P332-E355 WeakPolarHBondContact CA-OE2 3.41Å; V333-E355 HydrophobicContact CG1-CB 3.83Å; V333-E355 HydrophobicContact CG1-CG 3.77Å; V333-E355 WeakPolarHBondContact CG1-O 3.27Å; V333-E355 WeakPolarHBondContact CG2-OE2 3.31Å; V333-E355 PolarHBondContact N-OE2 3.46Å; T337-E355 VanDerWaalsContact CG2-O 3.27Å; T337-E355 WeakPolarHBondContact CG2-O 3.42Å; E355-V357 VanDerWaalsContact C-N 3.29Å; E355-V357 HydrophobicContact CG-CB 4.15Å; E355-V357 HydrophobicContact CG-CG2 3.73Å; E355-V357 PolarHBondContact O-N 2.96Å; E355-V357 VanDerWaalsContact O-N 3.16Å; E355-V384 CarbonylContact C-O 3.55Å; E355-V384 WeakPolarHBondContact CA-O 3.49Å; E355-V384 HydrophobicContact CB-CG2 4.41Å; E355-W387 HydrophobicContact CB-CZ2 3.82Å; E355-W387 VanDerWaalsContact CD-NE1 3.27Å; E355-W387 PolarHBondContact OE2-NE1 3.3Å
356D94.4Very high93.2Very high48 Ų4831.7 Ų31.726%0.25721%0.211SC..  trans-91.261-173.8-165.418000111.1V354 P370 K375 F383 V384V354-D356 PolarHBondContact O-N 3.06Å; D356-P370 VanDerWaalsContact OD1-CD 3.22Å; D356-P370 WeakPolarHBondContact OD1-CD 3.25Å; D356-P370 VanDerWaalsContact OD1-CG 3.27Å; D356-P370 WeakPolarHBondContact OD1-CG 3.46Å; D356-K375 WeakPolarHBondContact OD1-CE 3.45Å; D356-K375 IonicContact OD1-NZ 2.82Å; D356-K375 PolarHBondContact OD1-NZ 2.86Å; D356-K375 WeakPolarHBondContact OD2-CE 3.15Å; D356-K375 IonicContact OD2-NZ 3.65Å; D356-K375 PolarHBondContact OD2-NZ 3.38Å; D356-F383 HydrophobicContact CB-CB 4.16Å; D356-F383 HydrophobicContact CB-CD1 4.16Å; D356-V384 PolarHBondContact N-O 3.42Å
357V92.8Very high92.3Very high52 Ų5238.6 Ų38.632%0.31526%0.256SS..  trans-123.8131.3-175.4176.90000109.8V333 T337 E355 T359V333-V357 HydrophobicContact CG1-CB 4.38Å; T337-V357 WeakPolarHBondContact CG2-O 3.37Å; T337-V357 PolarHBondContact OG1-O 3.38Å; E355-V357 VanDerWaalsContact C-N 3.29Å; E355-V357 HydrophobicContact CG-CB 4.15Å; E355-V357 HydrophobicContact CG-CG2 3.73Å; E355-V357 PolarHBondContact O-N 2.96Å; E355-V357 VanDerWaalsContact O-N 3.16Å; V357-T359 PolarHBondContact O-N 2.82Å
358L90.7Very high91.6Very high85 Ų8541.2 Ų41.245%0.44527%0.274SS..PPolyproline II helixtrans-65.2126.5172.1-73.1169.3000109.9A365 P370L358-A365 HydrophobicContact CD1-CB 4.33Å; L358-P370 HydrophobicContact CD2-CB 4Å; L358-P370 HydrophobicContact CD2-CG 4.35Å
359T90.2Very high91.2Very high17 Ų1741 Ų4110%0.10428%0.275CS..PPolyproline II helixtrans-85.6155.9174.443.60000110.8V333 I335 V357 G361V333-T359 HydrophobicContact CB-CG2 3.99Å; V333-T359 HydrophobicContact CG1-CG2 4.46Å; V333-T359 HydrophobicContact CG2-CG2 4.25Å; I335-T359 VanDerWaalsContact O-CB 3.31Å; I335-T359 WeakPolarHBondContact O-CB 3.3Å; I335-T359 PolarHBondContact O-OG1 2.97Å; V357-T359 PolarHBondContact O-N 2.82Å; T359-G361 PolarHBondContact O-N 3.38Å
360P89.4Confident91Very high110 Ų11041.2 Ų41.271%0.71428%0.276SS*.SBendtrans-59.3135.6179.4-23.833.9000112.8
361G88.9Confident90.7Very high43 Ų4341.2 Ų41.244%0.44328%0.277SS..SBendtrans149.4-168178.400000112.3T359T359-G361 PolarHBondContact O-N 3.38Å
362N89.9Confident90.5Very high108 Ų10844.1 Ų44.158%0.57829%0.287SS*.SBendtrans-101.824.7178.9-64.7-39.9000112.2Q206 N208Q206-N362 PolarHBondContact O-N 3.47Å; N208-N362 PolarHBondContact OD1-ND2 3.42Å
363C90.3Very high90.3Very high25 Ų2545.5 Ų45.517%0.16930%0.295CS..PPolyproline II helixtrans-67.6160.2178.5-57.40000111C207 D231 A365C207-C363 HydrophobicContact CB-CB 3.84Å; C207-C363 WeakPolarHBondContact CB-SG 3.12Å; C207-C363 WeakPolarHBondContact SG-CA 3.45Å; C207-C363 WeakPolarHBondContact SG-CB 3.34Å; C207-C363 CovalentContact SG-SG 2.03Å; C207-C363 PolarHBondContact SG-SG 3.1Å; D231-C363 WeakPolarHBondContact O-CB 3.36Å; C363-A365 PolarHBondContact O-N 3.36Å
364A86.7Confident90.1Very high19 Ų1945.6 Ų45.616%0.15730%0.295CS..PPolyproline II helixtrans-59.4126.5-177.900000111.3D231 S369D231-A364 HydrophobicContact CB-CB 4.25Å; A364-S369 WeakPolarHBondContact O-CB 3.45Å; A364-S369 PolarHBondContact O-OG 2.9Å
365A84.8Confident89.9Confident85 Ų8548.1 Ų48.170%0.70231%0.306SS*.PPolyproline II helixtrans-103143.7171.600000110.4L358 C363L358-A365 HydrophobicContact CD1-CB 4.33Å; C363-A365 PolarHBondContact O-N 3.36Å
366G82.1Confident89.6Confident35 Ų3551.7 Ų51.736%0.36134%0.337SS..SBendtrans159176.6177.200000112.7S368 S369G366-S368 PolarHBondContact O-N 2.93Å; G366-S369 PolarHBondContact O-N 3.14Å
367P79.4Confident89.4Confident145 Ų14550.5 Ų50.594%0.94233%0.334SS*.THydrogen-bonded Turntrans-60.3-28.5-176-24.134000114.1
368S82.8Confident89.4Confident59 Ų5950.5 Ų50.541%0.41335%0.345SS..THydrogen-bonded Turntrans-91.4-4.5178.359.60000113.7G366 R372G366-S368 PolarHBondContact O-N 2.93Å; S368-R372 VanDerWaalsContact O-CA 3.26Å; S368-R372 WeakPolarHBondContact O-CA 3.47Å
369S88.1Confident89.6Confident14 Ų1447 Ų4710%0.09833%0.328CS..  trans-100.9151.7179-61.60000110.8A364 G366A364-S369 WeakPolarHBondContact O-CB 3.45Å; A364-S369 PolarHBondContact O-OG 2.9Å; G366-S369 PolarHBondContact O-N 3.14Å
370P92.4Very high89.9Confident5 Ų548.8 Ų48.83%0.03234%0.34CS..SBendcis-74.2-179.9-9.333.2-36.1000112.1D231 T337 D356 L358 R372 K375D231-P370 VanDerWaalsContact OD2-C 3.26Å; D231-P370 WeakPolarHBondContact OD2-CA 3.47Å; T337-P370 HydrophobicContact CG2-CB 3.83Å; T337-P370 HydrophobicContact CG2-CG 3.59Å; D356-P370 VanDerWaalsContact OD1-CD 3.22Å; D356-P370 WeakPolarHBondContact OD1-CD 3.25Å; D356-P370 VanDerWaalsContact OD1-CG 3.27Å; D356-P370 WeakPolarHBondContact OD1-CG 3.46Å; L358-P370 HydrophobicContact CD2-CB 4Å; L358-P370 HydrophobicContact CD2-CG 4.35Å; P370-R372 PolarHBondContact O-N 3.08Å; P370-K375 WeakPolarHBondContact O-CD 3.35Å; P370-K375 WeakPolarHBondContact O-CE 3.46Å; P370-K375 PolarHBondContact O-NZ 3.18Å
371L93.1Very high90.3Very high1 Ų144.5 Ų44.51%0.00531%0.31CS..SBendtrans64.836.6174-50167.2000113.1D231 T337 E338 I342 V354 L373 L374 K375 F383D231-L371 PolarHBondContact OD2-N 2.82Å; T337-L371 HydrophobicContact CG2-CD1 4.05Å; T337-L371 HydrophobicContact CG2-CD2 4.2Å; T337-L371 HydrophobicContact CG2-CG 4.02Å; E338-L371 HydrophobicContact CB-CD2 3.72Å; E338-L371 HydrophobicContact CG-CD2 4.06Å; I342-L371 HydrophobicContact CD1-CD2 4.36Å; V354-L371 HydrophobicContact CG1-CD1 3.43Å; V354-L371 VanDerWaalsContact CG1-CD1 3.43Å; L371-L373 VanDerWaalsContact C-N 3.3Å; L371-L373 PolarHBondContact O-N 3.17Å; L371-L374 HydrophobicContact CB-CB 4.41Å; L371-L374 HydrophobicContact CB-CD1 4.36Å; L371-L374 HydrophobicContact CD2-CD1 4.05Å; L371-L374 PolarHBondContact O-N 3.22Å; L371-L374 VanDerWaalsContact O-N 3.09Å; L371-K375 PolarHBondContact O-N 2.77Å; L371-F383 HydrophobicContact CD1-CD1 4.43Å; L371-F383 HydrophobicContact CD1-CE1 3.95Å
372R93.1Very high90.7Very high64 Ų6444.3 Ų44.324%0.24230%0.299CS..Hα-helixtrans-52.4-47.5-174.1-176-167.769.6112.57.8112.1D231 V235 D237 S368 P370 L374 K375 A376D231-R372 WeakPolarHBondContact OD1-CB 3.35Å; D231-R372 PolarHBondContact OD1-N 3.34Å; V235-R372 VanDerWaalsContact CG1-NH2 3.31Å; D237-R372 IonicContact OD2-NH1 2.77Å; D237-R372 PolarHBondContact OD2-NH1 2.95Å; S368-R372 VanDerWaalsContact O-CA 3.26Å; S368-R372 WeakPolarHBondContact O-CA 3.47Å; P370-R372 PolarHBondContact O-N 3.08Å; R372-L374 PolarHBondContact O-N 2.75Å; R372-K375 PolarHBondContact O-N 2.82Å; R372-A376 WeakPolarHBondContact O-CB 3.41Å; R372-A376 PolarHBondContact O-N 3.09Å
373L93.9Very high91Very high29 Ų2942.2 Ų42.215%0.15229%0.285CS..Hα-helixtrans-60.4-44.5-179.5178.862.8000112.4Q242 P244 L371 A377 F419 M423Q242-L373 HydrophobicContact CG-CB 4.08Å; Q242-L373 HydrophobicContact CG-CD2 4.29Å; P244-L373 HydrophobicContact CB-CD2 4.1Å; P244-L373 HydrophobicContact CG-CD2 4.34Å; L371-L373 VanDerWaalsContact C-N 3.3Å; L371-L373 PolarHBondContact O-N 3.17Å; L373-A377 WeakPolarHBondContact O-CB 3.47Å; L373-A377 PolarHBondContact O-N 2.75Å; L373-F419 HydrophobicContact CD2-CE2 4.42Å; L373-F419 HydrophobicContact CD2-CZ 4.11Å; L373-F419 HydrophobicContact CG-CE2 4.16Å; L373-F419 HydrophobicContact CG-CZ 4.31Å; L373-M423 HydrophobicContact CD1-SD 4.22Å; L373-M423 HydrophobicContact CD2-CE 4.49Å; L373-M423 HydrophobicContact CD2-SD 4.15Å
374L94.8Very high91.3Very high1 Ų141.2 Ų41.21%0.00528%0.277CS..Hα-helixtrans-69.6-41.3-179-66.8167.2000111.4I342 Y343 L371 R372 A377 G378 A379 F381 W415 F419I342-L374 HydrophobicContact CG2-CD1 4.26Å; Y343-L374 HydrophobicContact CE1-CD2 3.92Å; L371-L374 HydrophobicContact CB-CB 4.41Å; L371-L374 HydrophobicContact CB-CD1 4.36Å; L371-L374 HydrophobicContact CD2-CD1 4.05Å; L371-L374 PolarHBondContact O-N 3.22Å; L371-L374 VanDerWaalsContact O-N 3.09Å; R372-L374 PolarHBondContact O-N 2.75Å; L374-A377 PolarHBondContact O-N 2.86Å; L374-G378 PolarHBondContact O-N 2.75Å; L374-A379 HydrophobicContact CB-CB 4.27Å; L374-A379 WeakPolarHBondContact O-CB 3.26Å; L374-A379 PolarHBondContact O-N 2.99Å; L374-F381 HydrophobicContact CB-CE2 4.42Å; L374-F381 HydrophobicContact CD1-CE2 4.22Å; L374-F381 HydrophobicContact CD2-CE2 4.26Å; L374-F381 HydrophobicContact CD2-CZ 4.5Å; L374-W415 HydrophobicContact CD2-CH2 3.93Å; L374-F419 HydrophobicContact CD2-CE2 4.47Å; L374-F419 HydrophobicContact CD2-CZ 4.28Å
375K93.4Very high91.7Very high53 Ų5344.4 Ų44.423%0.2330%0.299CS..Hα-helixtrans-64.4-45.2175.3-71.4173.6176.4169.40111.7D356 P370 L371 R372 A377 G378 F383D356-K375 WeakPolarHBondContact OD1-CE 3.45Å; D356-K375 IonicContact OD1-NZ 2.82Å; D356-K375 PolarHBondContact OD1-NZ 2.86Å; D356-K375 WeakPolarHBondContact OD2-CE 3.15Å; D356-K375 IonicContact OD2-NZ 3.65Å; D356-K375 PolarHBondContact OD2-NZ 3.38Å; P370-K375 WeakPolarHBondContact O-CD 3.35Å; P370-K375 WeakPolarHBondContact O-CE 3.46Å; P370-K375 PolarHBondContact O-NZ 3.18Å; L371-K375 PolarHBondContact O-N 2.77Å; R372-K375 PolarHBondContact O-N 2.82Å; K375-A377 VanDerWaalsContact C-N 3.27Å; K375-A377 PolarHBondContact O-N 3.48Å; K375-G378 PolarHBondContact O-N 2.98Å; K375-F383 HydrophobicContact CG-CE1 4.39Å; K375-F383 HydrophobicContact CG-CZ 4.11Å
376A89.9Confident92.2Very high87 Ų8742.2 Ų42.272%0.71928%0.275SS*.Hα-helixtrans-62.9-34.1177.200000112.4R372 G378R372-A376 WeakPolarHBondContact O-CB 3.41Å; R372-A376 PolarHBondContact O-N 3.09Å; A376-G378 PolarHBondContact O-N 2.97Å
377A91.5Very high92.8Very high23 Ų2340.7 Ų40.719%0.1926%0.259CS..THydrogen-bonded Turntrans-75.62.1173.300000113.8L373 L374 K375 W415 F419L373-A377 WeakPolarHBondContact O-CB 3.47Å; L373-A377 PolarHBondContact O-N 2.75Å; L374-A377 PolarHBondContact O-N 2.86Å; K375-A377 VanDerWaalsContact C-N 3.27Å; K375-A377 PolarHBondContact O-N 3.48Å; A377-W415 HydrophobicContact CB-CZ2 4.1Å; A377-W415 PolarHBondContact O-NE1 2.93Å; A377-F419 HydrophobicContact CB-CD2 3.78Å; A377-F419 HydrophobicContact CB-CE2 4.08Å
378G92.2Very high93.6Very high52 Ų5242.7 Ų42.754%0.53625%0.248SC..THydrogen-bonded Turntrans68.238.4178.700000113.5L374 K375 A376 W415L374-G378 PolarHBondContact O-N 2.75Å; K375-G378 PolarHBondContact O-N 2.98Å; A376-G378 PolarHBondContact O-N 2.97Å; G378-W415 PolarHBondContact O-NE1 2.88Å
379A95Very high94.2Very high12 Ų1243.4 Ų43.410%0.09924%0.244CC..  trans-53.8124.4-178.900000112.6L374 F381 F383 W415L374-A379 HydrophobicContact CB-CB 4.27Å; L374-A379 WeakPolarHBondContact O-CB 3.26Å; L374-A379 PolarHBondContact O-N 2.99Å; A379-F381 HydrophobicContact CB-CD1 4.03Å; A379-F381 HydrophobicContact CB-CD2 3.63Å; A379-F381 HydrophobicContact CB-CE1 3.94Å; A379-F381 HydrophobicContact CB-CE2 3.55Å; A379-F381 HydrophobicContact CB-CG 3.87Å; A379-F381 HydrophobicContact CB-CZ 3.71Å; A379-F381 PolarHBondContact O-N 2.95Å; A379-F383 HydrophobicContact CB-CZ 4.48Å; A379-W415 VanDerWaalsContact CA-CZ2 3.49Å; A379-W415 HydrophobicContact CB-CH2 3.82Å; A379-W415 HydrophobicContact CB-CZ2 3.52Å
380P96.1Very high94.6Very high55 Ų5542.8 Ų42.836%0.35724%0.24SC..  trans-81.448.9-178.735-36.6000111.4L412 W415P380-L412 HydrophobicContact CG-CD1 3.95Å; P380-W415 VanDerWaalsContact CD-CD2 3.44Å; P380-W415 HydrophobicContact CG-CB 4.14Å; P380-W415 HydrophobicContact CG-CD2 4.3Å; P380-W415 HydrophobicContact CG-CG 4.06Å
381F97.6Very high94.8Very high19 Ų1944.7 Ų44.78%0.08325%0.252CS..  trans-93.8161.9-177.1-56-14.7000110.8I342 C346 P352 V354 L374 A379 F383 L412 W415I342-F381 HydrophobicContact CG2-CD2 4.24Å; I342-F381 HydrophobicContact CG2-CE2 3.45Å; I342-F381 VanDerWaalsContact CG2-CE2 3.45Å; I342-F381 HydrophobicContact CG2-CZ 3.8Å; C346-F381 WeakPolarHBondContact SG-CE1 3.41Å; C346-F381 VanDerWaalsContact SG-CZ 3.55Å; P352-F381 HydrophobicContact CB-CB 4.45Å; P352-F381 HydrophobicContact CB-CD1 4.11Å; P352-F381 HydrophobicContact CB-CD2 4.35Å; P352-F381 HydrophobicContact CB-CE1 4.49Å; P352-F381 HydrophobicContact CB-CG 4.05Å; P352-F381 HydrophobicContact CG-CD1 3.73Å; P352-F381 HydrophobicContact CG-CE1 3.75Å; P352-F381 HydrophobicContact CG-CG 4.17Å; P352-F381 HydrophobicContact CG-CZ 4.15Å; V354-F381 HydrophobicContact CG2-CB 4.27Å; V354-F381 HydrophobicContact CG2-CD2 3.9Å; V354-F381 HydrophobicContact CG2-CG 4.34Å; L374-F381 HydrophobicContact CB-CE2 4.42Å; L374-F381 HydrophobicContact CD1-CE2 4.22Å; L374-F381 HydrophobicContact CD2-CE2 4.26Å; L374-F381 HydrophobicContact CD2-CZ 4.5Å; A379-F381 HydrophobicContact CB-CD1 4.03Å; A379-F381 HydrophobicContact CB-CD2 3.63Å; A379-F381 HydrophobicContact CB-CE1 3.94Å; A379-F381 HydrophobicContact CB-CE2 3.55Å; A379-F381 HydrophobicContact CB-CG 3.87Å; A379-F381 HydrophobicContact CB-CZ 3.71Å; A379-F381 PolarHBondContact O-N 2.95Å; F381-F383 HydrophobicContact CB-CD2 4.37Å; F381-F383 HydrophobicContact CB-CE1 4.45Å; F381-F383 HydrophobicContact CB-CE2 3.86Å; F381-F383 HydrophobicContact CB-CZ 3.91Å; F381-F383 HydrophobicContact CD2-CE1 4.3Å; F381-F383 AromaticContact CD2-CZ 3.9Å; F381-F383 HydrophobicContact CD2-CZ 3.9Å; F381-F383 HydrophobicContact CG-CZ 4.33Å; F381-L412 HydrophobicContact CD1-CD1 4.3Å; F381-L412 HydrophobicContact CE1-CD1 3.9Å; F381-W415 HydrophobicContact CE1-CE3 4.22Å; F381-W415 HydrophobicContact CE1-CH2 4.12Å; F381-W415 AromaticContact CE1-CZ3 3.71Å; F381-W415 HydrophobicContact CE1-CZ3 3.71Å; F381-W415 HydrophobicContact CE2-CH2 4.44Å; F381-W415 HydrophobicContact CZ-CE3 4.47Å; F381-W415 AromaticContact CZ-CH2 3.61Å; F381-W415 HydrophobicContact CZ-CH2 3.61Å; F381-W415 AromaticContact CZ-CZ3 3.54Å; F381-W415 HydrophobicContact CZ-CZ3 3.54Å
382I97.7Very high94.9Very high39 Ų3947.4 Ų47.420%0.228%0.275CS..EExtended strand (participates in β ladder)trans-93.3109.2166.2-61.1170000106.7L328 P352 V353 V354 V384 I393L328-I382 HydrophobicContact CD1-CD1 4.49Å; L328-I382 HydrophobicContact CD2-CD1 4.2Å; P352-I382 PolarHBondContact O-N 3.38Å; V353-I382 CarbonylContact C-O 3.46Å; V353-I382 VanDerWaalsContact CA-O 3.29Å; V353-I382 WeakPolarHBondContact CA-O 3.38Å; V353-I382 HydrophobicContact CG1-CB 4.42Å; V353-I382 HydrophobicContact CG1-CG2 4.24Å; V353-I382 HydrophobicContact CG2-CB 4.22Å; V353-I382 HydrophobicContact CG2-CD1 4.16Å; V354-I382 PolarHBondContact N-O 3.36Å; I382-V384 HydrophobicContact CG2-CG1 4.14Å; I382-I393 HydrophobicContact CD1-CG2 3.94Å; I382-I393 HydrophobicContact CG2-CD1 3.93Å; I382-I393 HydrophobicContact CG2-CG1 4.44Å; I382-I393 HydrophobicContact CG2-CG2 4.49Å
383F96.4Very high95.1Very high65 Ų6544.6 Ų44.629%0.28527%0.265SS..EExtended strand (participates in β ladder)trans-88.3130.3173.9-63.8-82.4000109.4V354 D356 L371 K375 A379 F381V354-F383 HydrophobicContact CB-CD1 4.18Å; V354-F383 HydrophobicContact CB-CE1 4.35Å; V354-F383 WeakPolarHBondContact O-CA 3.4Å; D356-F383 HydrophobicContact CB-CB 4.16Å; D356-F383 HydrophobicContact CB-CD1 4.16Å; L371-F383 HydrophobicContact CD1-CD1 4.43Å; L371-F383 HydrophobicContact CD1-CE1 3.95Å; K375-F383 HydrophobicContact CG-CE1 4.39Å; K375-F383 HydrophobicContact CG-CZ 4.11Å; A379-F383 HydrophobicContact CB-CZ 4.48Å; F381-F383 HydrophobicContact CB-CD2 4.37Å; F381-F383 HydrophobicContact CB-CE1 4.45Å; F381-F383 HydrophobicContact CB-CE2 3.86Å; F381-F383 HydrophobicContact CB-CZ 3.91Å; F381-F383 HydrophobicContact CD2-CE1 4.3Å; F381-F383 AromaticContact CD2-CZ 3.9Å; F381-F383 HydrophobicContact CD2-CZ 3.9Å; F381-F383 HydrophobicContact CG-CZ 4.33Å
384V96.7Very high95.1Very high3 Ų343.3 Ų43.32%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-122.8141.3176.9-610000109.8V353 V354 E355 D356 I382 W387 I393V353-V384 HydrophobicContact CG1-CG1 3.85Å; V353-V384 HydrophobicContact CG1-CG2 4.24Å; V354-V384 PolarHBondContact O-N 3Å; E355-V384 CarbonylContact C-O 3.55Å; E355-V384 WeakPolarHBondContact CA-O 3.49Å; E355-V384 HydrophobicContact CB-CG2 4.41Å; D356-V384 PolarHBondContact N-O 3.42Å; I382-V384 HydrophobicContact CG2-CG1 4.14Å; V384-W387 HydrophobicContact CG2-CE3 4.37Å; V384-W387 HydrophobicContact CG2-CH2 4.22Å; V384-W387 HydrophobicContact CG2-CZ2 4.36Å; V384-W387 HydrophobicContact CG2-CZ3 4.22Å; V384-I393 HydrophobicContact CG1-CD1 3.34Å
385S94.1Very high95.1Very high86 Ų8648.3 Ų48.360%0.60128%0.281SS*.SBendtrans-89.6-24.2171.862.70000111.4E389S385-E389 PolarHBondContact N-OE1 3.12Å; S385-E389 PolarHBondContact OG-OE1 2.91Å
386D95.3Very high95.2Very high40 Ų4053.8 Ų53.821%0.21430%0.3CS..  trans-146.2135.3-175.8-165.2-42.8000111.5R388 E389D386-R388 VanDerWaalsContact CG-NE 3.32Å; D386-R388 PolarHBondContact O-N 2.84Å; D386-R388 VanDerWaalsContact O-N 3.17Å; D386-R388 VanDerWaalsContact OD1-CB 3.29Å; D386-R388 WeakPolarHBondContact OD1-CB 3.49Å; D386-R388 VanDerWaalsContact OD1-CG 3.27Å; D386-R388 WeakPolarHBondContact OD1-CG 3.23Å; D386-R388 PolarHBondContact OD1-N 3.2Å; D386-R388 IonicContact OD1-NE 2.79Å; D386-R388 PolarHBondContact OD1-NE 3.06Å; D386-R388 IonicContact OD2-CZ 3.09Å; D386-R388 IonicContact OD2-NE 2.76Å; D386-R388 PolarHBondContact OD2-NE 3.46Å; D386-R388 IonicContact OD2-NH2 2.61Å; D386-R388 PolarHBondContact OD2-NH2 2.89Å; D386-E389 HydrophobicContact CB-CG 4.41Å; D386-E389 PolarHBondContact N-OE1 3.49Å; D386-E389 VanDerWaalsContact O-CB 3.28Å; D386-E389 WeakPolarHBondContact O-CB 3.46Å; D386-E389 VanDerWaalsContact O-CG 3.28Å; D386-E389 WeakPolarHBondContact O-CG 3.35Å; D386-E389 PolarHBondContact O-N 3.41Å
387W96.2Very high95.4Very high2 Ų249.9 Ų49.91%0.00827%0.267CS..G310 helixtrans-65.4-15.8176.3-72.1109.4000114S282 V285 L286 L330 P332 V353 E355 V384 E389 L390S282-W387 PolarHBondContact OG-NE1 2.99Å; S282-W387 VanDerWaalsContact OG-NE1 3.16Å; V285-W387 HydrophobicContact CG1-CB 4.34Å; L286-W387 HydrophobicContact CB-CB 4.47Å; L286-W387 HydrophobicContact CB-CD2 4.01Å; L286-W387 HydrophobicContact CB-CG 3.9Å; L286-W387 HydrophobicContact CD1-CB 4.49Å; L286-W387 HydrophobicContact CD1-CD2 3.57Å; L286-W387 HydrophobicContact CD1-CE3 3.29Å; L286-W387 HydrophobicContact CD1-CG 4.1Å; L286-W387 HydrophobicContact CD1-CH2 4.46Å; L286-W387 HydrophobicContact CD1-CZ3 3.77Å; L286-W387 HydrophobicContact CD2-CD2 4.48Å; L286-W387 HydrophobicContact CD2-CZ2 4.43Å; L286-W387 HydrophobicContact CG-CD2 4.2Å; L286-W387 HydrophobicContact CG-CE3 4.33Å; L330-W387 HydrophobicContact CB-CH2 4.17Å; L330-W387 HydrophobicContact CB-CZ3 4.31Å; L330-W387 HydrophobicContact CD2-CZ3 4.04Å; P332-W387 HydrophobicContact CB-CZ2 3.62Å; P332-W387 HydrophobicContact CG-CZ2 4.4Å; V353-W387 HydrophobicContact CB-CH2 4.5Å; V353-W387 HydrophobicContact CG1-CH2 4.06Å; V353-W387 HydrophobicContact CG1-CZ3 3.81Å; E355-W387 HydrophobicContact CB-CZ2 3.82Å; E355-W387 VanDerWaalsContact CD-NE1 3.27Å; E355-W387 PolarHBondContact OE2-NE1 3.3Å; V384-W387 HydrophobicContact CG2-CE3 4.37Å; V384-W387 HydrophobicContact CG2-CH2 4.22Å; V384-W387 HydrophobicContact CG2-CZ2 4.36Å; V384-W387 HydrophobicContact CG2-CZ3 4.22Å; W387-E389 PolarHBondContact O-N 3.33Å; W387-L390 HydrophobicContact CE3-CB 4.35Å; W387-L390 HydrophobicContact CE3-CD2 4.29Å; W387-L390 WeakPolarHBondContact O-CB 3.48Å; W387-L390 PolarHBondContact O-N 3.22Å
388R95.4Very high95.5Very high188 Ų18854.2 Ų54.271%0.70928%0.279SS*.G310 helixtrans-63.2-17170.3-67.8178.6-73.6-178.4-0.4113D386 L390 P391D386-R388 VanDerWaalsContact CG-NE 3.32Å; D386-R388 PolarHBondContact O-N 2.84Å; D386-R388 VanDerWaalsContact O-N 3.17Å; D386-R388 VanDerWaalsContact OD1-CB 3.29Å; D386-R388 WeakPolarHBondContact OD1-CB 3.49Å; D386-R388 VanDerWaalsContact OD1-CG 3.27Å; D386-R388 WeakPolarHBondContact OD1-CG 3.23Å; D386-R388 PolarHBondContact OD1-N 3.2Å; D386-R388 IonicContact OD1-NE 2.79Å; D386-R388 PolarHBondContact OD1-NE 3.06Å; D386-R388 IonicContact OD2-CZ 3.09Å; D386-R388 IonicContact OD2-NE 2.76Å; D386-R388 PolarHBondContact OD2-NE 3.46Å; D386-R388 IonicContact OD2-NH2 2.61Å; D386-R388 PolarHBondContact OD2-NH2 2.89Å; R388-L390 VanDerWaalsContact C-N 3.28Å; R388-P391 WeakPolarHBondContact O-CD 3.4Å
389E96.2Very high95.5Very high74 Ų7455 Ų5535%0.34629%0.287SS..G310 helixtrans-74.8-18.5172.6-57.2178.3-115.800112.5S385 D386 W387 A392 I393S385-E389 PolarHBondContact N-OE1 3.12Å; S385-E389 PolarHBondContact OG-OE1 2.91Å; D386-E389 HydrophobicContact CB-CG 4.41Å; D386-E389 PolarHBondContact N-OE1 3.49Å; D386-E389 VanDerWaalsContact O-CB 3.28Å; D386-E389 WeakPolarHBondContact O-CB 3.46Å; D386-E389 VanDerWaalsContact O-CG 3.28Å; D386-E389 WeakPolarHBondContact O-CG 3.35Å; D386-E389 PolarHBondContact O-N 3.41Å; W387-E389 PolarHBondContact O-N 3.33Å; E389-A392 PolarHBondContact O-N 3.47Å; E389-I393 HydrophobicContact CB-CD1 4.2Å; E389-I393 WeakPolarHBondContact O-CG1 3.41Å; E389-I393 PolarHBondContact O-N 3.32Å; E389-I393 VanDerWaalsContact O-N 3.16Å
390L96.2Very high95.5Very high1 Ų156.5 Ų56.51%0.00529%0.292CS..Hα-helixtrans-57.8-44.5-172.1-179.162.7000114.4L286 V289 L290 L330 W387 R388 A392 I393 L394L286-L390 HydrophobicContact CD1-CD2 3.52Å; V289-L390 HydrophobicContact CG1-CB 4.35Å; L290-L390 HydrophobicContact CD2-CD2 3.79Å; L290-L390 HydrophobicContact CG-CD2 4.16Å; L330-L390 HydrophobicContact CD1-CD2 4.05Å; L330-L390 HydrophobicContact CD2-CD1 3.64Å; L330-L390 HydrophobicContact CD2-CD2 4.33Å; W387-L390 HydrophobicContact CE3-CB 4.35Å; W387-L390 HydrophobicContact CE3-CD2 4.29Å; W387-L390 WeakPolarHBondContact O-CB 3.48Å; W387-L390 PolarHBondContact O-N 3.22Å; R388-L390 VanDerWaalsContact C-N 3.28Å; L390-A392 VanDerWaalsContact C-N 3.3Å; L390-A392 PolarHBondContact O-N 3.43Å; L390-I393 WeakPolarHBondContact O-CB 3.4Å; L390-I393 PolarHBondContact O-N 3.4Å; L390-I393 VanDerWaalsContact O-N 3.07Å; L390-L394 HydrophobicContact CD1-CD1 4.35Å; L390-L394 HydrophobicContact CD1-CD2 4.11Å; L390-L394 HydrophobicContact CD1-CG 3.95Å; L390-L394 HydrophobicContact CG-CD1 4.34Å; L390-L394 HydrophobicContact CG-CG 4.27Å; L390-L394 PolarHBondContact O-N 3.42Å
391P95.9Very high95.5Very high44 Ų4456.4 Ų56.429%0.28629%0.293SS..Hα-helixtrans-58.7-41.3179.8-25.336.6000112.6V289 L295 R388 I393 L394 E395V289-P391 HydrophobicContact CG1-CG 3.9Å; L295-P391 HydrophobicContact CD1-CB 4.27Å; L295-P391 HydrophobicContact CD1-CG 4.23Å; R388-P391 WeakPolarHBondContact O-CD 3.4Å; P391-I393 VanDerWaalsContact C-N 3.32Å; P391-I393 PolarHBondContact O-N 3.41Å; P391-L394 PolarHBondContact O-N 2.8Å; P391-E395 PolarHBondContact O-N 2.89Å
392A95.5Very high95.3Very high59 Ų5958.9 Ų58.949%0.48831%0.305SS..Hα-helixtrans-67.8-33176.700000112.3E389 L390 R396E389-A392 PolarHBondContact O-N 3.47Å; L390-A392 VanDerWaalsContact C-N 3.3Å; L390-A392 PolarHBondContact O-N 3.43Å; A392-R396 WeakPolarHBondContact O-CG 3.35Å; A392-R396 PolarHBondContact O-N 3.45Å
393I96.3Very high95.2Very high5 Ų564.7 Ų64.73%0.02633%0.331CS..Hα-helixtrans-65.5-47.3173.7-68.2161.9000110.8L328 I382 V384 E389 L390 P391 R396 E397L328-I393 HydrophobicContact CD1-CG2 4.11Å; I382-I393 HydrophobicContact CD1-CG2 3.94Å; I382-I393 HydrophobicContact CG2-CD1 3.93Å; I382-I393 HydrophobicContact CG2-CG1 4.44Å; I382-I393 HydrophobicContact CG2-CG2 4.49Å; V384-I393 HydrophobicContact CG1-CD1 3.34Å; E389-I393 HydrophobicContact CB-CD1 4.2Å; E389-I393 WeakPolarHBondContact O-CG1 3.41Å; E389-I393 PolarHBondContact O-N 3.32Å; E389-I393 VanDerWaalsContact O-N 3.16Å; L390-I393 WeakPolarHBondContact O-CB 3.4Å; L390-I393 PolarHBondContact O-N 3.4Å; L390-I393 VanDerWaalsContact O-N 3.07Å; P391-I393 VanDerWaalsContact C-N 3.32Å; P391-I393 PolarHBondContact O-N 3.41Å; I393-R396 PolarHBondContact O-N 2.95Å; I393-E397 PolarHBondContact O-N 2.92Å
394L95.4Very high95.1Very high1 Ų166.7 Ų66.71%0.00534%0.342CS..Hα-helixtrans-68.2-34.9-179.8-63-169.7000112.5L270 C271 L295 L328 L390 P391 R396 E397 R398L270-L394 HydrophobicContact CB-CD2 4.45Å; C271-L394 HydrophobicContact CB-CD2 4.17Å; L295-L394 HydrophobicContact CB-CD1 4.28Å; L295-L394 HydrophobicContact CD1-CD1 3.81Å; L295-L394 HydrophobicContact CD2-CD1 3.93Å; L295-L394 HydrophobicContact CG-CD1 4.2Å; L328-L394 HydrophobicContact CD1-CD2 3.71Å; L390-L394 HydrophobicContact CD1-CD1 4.35Å; L390-L394 HydrophobicContact CD1-CD2 4.11Å; L390-L394 HydrophobicContact CD1-CG 3.95Å; L390-L394 HydrophobicContact CG-CD1 4.34Å; L390-L394 HydrophobicContact CG-CG 4.27Å; L390-L394 PolarHBondContact O-N 3.42Å; P391-L394 PolarHBondContact O-N 2.8Å; L394-R396 VanDerWaalsContact C-N 3.32Å; L394-R396 PolarHBondContact O-N 3.43Å; L394-E397 WeakPolarHBondContact O-CB 3.37Å; L394-E397 PolarHBondContact O-N 2.76Å; L394-R398 PolarHBondContact O-N 2.97Å
395E94.9Very high95.1Very high106 Ų10668 Ų6850%0.49535%0.346SS..Hα-helixtrans-63.2-41174.1-17057.2-14500111.3P391 R398 G399P391-E395 PolarHBondContact O-N 2.89Å; E395-R398 WeakPolarHBondContact O-CB 3.44Å; E395-R398 PolarHBondContact O-N 2.96Å; E395-R398 IonicContact OE1-NH1 3.25Å; E395-R398 IonicContact OE2-CZ 3.12Å; E395-R398 IonicContact OE2-NH1 3.99Å; E395-R398 PolarHBondContact OE2-NH1 3.32Å; E395-G399 PolarHBondContact O-N 2.93Å
396R94.8Very high95.1Very high168 Ų16864.9 Ų64.963%0.63432%0.324SS*.Hα-helixtrans-62-44.6171.3-72.6-175.3-65.6-149.41.2111.5A392 I393 L394 R398 G399 I400A392-R396 WeakPolarHBondContact O-CG 3.35Å; A392-R396 PolarHBondContact O-N 3.45Å; I393-R396 PolarHBondContact O-N 2.95Å; L394-R396 VanDerWaalsContact C-N 3.32Å; L394-R396 PolarHBondContact O-N 3.43Å; R396-R398 PolarHBondContact O-N 3.27Å; R396-G399 PolarHBondContact O-N 3.38Å; R396-G399 VanDerWaalsContact O-N 3.08Å; R396-I400 WeakPolarHBondContact O-CG1 3.37Å; R396-I400 PolarHBondContact O-N 3.46Å
397E94.1Very high95.1Very high6 Ų665.7 Ų65.73%0.02833%0.328CS..Hα-helixtrans-60.2-34.3179.3-161.265.5-143.900112.7L270 E327 L328 I393 L394 G399 I400 R405 R408L270-E397 HydrophobicContact CD2-CG 4.33Å; E327-E397 HydrophobicContact CB-CG 4.46Å; L328-E397 HydrophobicContact CD1-CB 4.4Å; L328-E397 HydrophobicContact CD1-CG 4.09Å; L328-E397 HydrophobicContact CG-CG 4.21Å; I393-E397 PolarHBondContact O-N 2.92Å; L394-E397 WeakPolarHBondContact O-CB 3.37Å; L394-E397 PolarHBondContact O-N 2.76Å; E397-G399 VanDerWaalsContact C-N 3.31Å; E397-G399 PolarHBondContact O-N 2.93Å; E397-I400 PolarHBondContact O-N 2.93Å; E397-R405 PolarHBondContact O-NH2 3.39Å; E397-R408 VanDerWaalsContact CD-NH1 3.29Å; E397-R408 IonicContact OE1-NH1 2.8Å; E397-R408 PolarHBondContact OE1-NH1 3.44Å; E397-R408 VanDerWaalsContact OE1-NH1 3.14Å; E397-R408 IonicContact OE2-CZ 2.92Å; E397-R408 IonicContact OE2-NH1 2.9Å; E397-R408 PolarHBondContact OE2-NH1 2.93Å; E397-R408 IonicContact OE2-NH2 3.25Å
398R93.4Very high95.1Very high114 Ų11467.8 Ų67.843%0.4334%0.336SS..Hα-helixtrans-64.4-35.9175.7-171.3-175.9-69.2164-6112.3E298 L394 E395 R396 I400E298-R398 IonicContact OE1-NH2 2.8Å; E298-R398 PolarHBondContact OE1-NH2 3.41Å; E298-R398 IonicContact OE2-CZ 3.2Å; E298-R398 IonicContact OE2-NE 3.7Å; E298-R398 IonicContact OE2-NH2 3.46Å; E298-R398 PolarHBondContact OE2-NH2 3.47Å; L394-R398 PolarHBondContact O-N 2.97Å; E395-R398 WeakPolarHBondContact O-CB 3.44Å; E395-R398 PolarHBondContact O-N 2.96Å; E395-R398 IonicContact OE1-NH1 3.25Å; E395-R398 IonicContact OE2-CZ 3.12Å; E395-R398 IonicContact OE2-NH1 3.99Å; E395-R398 PolarHBondContact OE2-NH1 3.32Å; R396-R398 PolarHBondContact O-N 3.27Å; R398-I400 VanDerWaalsContact C-N 3.32Å; R398-I400 PolarHBondContact O-N 2.91Å
399G93.3Very high95.1Very high68 Ų6858.9 Ų58.970%0.70130%0.302SS*.Hα-helixtrans-77.9-9.6178.800000115.1E395 R396 E397E395-G399 PolarHBondContact O-N 2.93Å; R396-G399 PolarHBondContact O-N 3.38Å; R396-G399 VanDerWaalsContact O-N 3.08Å; E397-G399 VanDerWaalsContact C-N 3.31Å; E397-G399 PolarHBondContact O-N 2.93Å
400I94.8Very high95.1Very high43 Ų4359.6 Ų59.622%0.22130%0.302CS..SBendtrans-76.2132.8-178.9-62.3179.1000110.3R396 E397 R398 Q404 R405R396-I400 WeakPolarHBondContact O-CG1 3.37Å; R396-I400 PolarHBondContact O-N 3.46Å; E397-I400 PolarHBondContact O-N 2.93Å; R398-I400 VanDerWaalsContact C-N 3.32Å; R398-I400 PolarHBondContact O-N 2.91Å; I400-Q404 HydrophobicContact CG2-CB 3.36Å; I400-Q404 HydrophobicContact CG2-CG 4.44Å; I400-R405 HydrophobicContact CB-CG 4.37Å; I400-R405 HydrophobicContact CG2-CG 3.76Å
401S95.4Very high95.1Very high54 Ų5466.1 Ų66.138%0.37833%0.326SS..  trans-69.4158177.181.10000112.1E403 Q404 R405S401-E403 PolarHBondContact O-N 3.38Å; S401-Q404 PolarHBondContact O-N 3.04Å; S401-Q404 VanDerWaalsContact O-N 3.15Å; S401-Q404 WeakPolarHBondContact OG-CG 3.49Å; S401-Q404 PolarHBondContact OG-N 3.12Å; S401-R405 WeakPolarHBondContact O-CG 3.33Å; S401-R405 PolarHBondContact O-N 3.04Å
402Q93.8Very high95.2Very high70 Ų7064.1 Ų64.133%0.32731%0.313SS..Hα-helixtrans-59-37.3177.9-175.360.612.200112.5N266 R405 V406N266-Q402 PolarHBondContact OD1-OE1 3.01Å; Q402-R405 PolarHBondContact O-N 3.03Å; Q402-V406 VanDerWaalsContact O-CG2 3.26Å; Q402-V406 WeakPolarHBondContact O-CG2 3.26Å; Q402-V406 PolarHBondContact O-N 3Å
403E94.6Very high95.2Very high161 Ų16161.6 Ų61.675%0.75229%0.291SS*.Hα-helixtrans-62.3-44.3177-174.8180-176.800111.7S401 R405 V406 D407S401-E403 PolarHBondContact O-N 3.38Å; E403-R405 VanDerWaalsContact C-N 3.34Å; E403-R405 PolarHBondContact O-N 3.46Å; E403-V406 PolarHBondContact O-N 3.45Å; E403-D407 PolarHBondContact O-N 2.92Å
404Q95.4Very high95.2Very high107 Ų10766.9 Ų66.950%0.532%0.316SS..Hα-helixtrans-65-37.3176.6-71.1172.8-3400112I400 S401 D407 R408I400-Q404 HydrophobicContact CG2-CB 3.36Å; I400-Q404 HydrophobicContact CG2-CG 4.44Å; S401-Q404 PolarHBondContact O-N 3.04Å; S401-Q404 VanDerWaalsContact O-N 3.15Å; S401-Q404 WeakPolarHBondContact OG-CG 3.49Å; S401-Q404 PolarHBondContact OG-N 3.12Å; Q404-D407 PolarHBondContact O-N 3.29Å; Q404-R408 WeakPolarHBondContact O-CB 3.47Å; Q404-R408 PolarHBondContact O-N 3.44Å
405R95.3Very high95.3Very high30 Ų3068.6 Ų68.611%0.11332%0.323CS..Hα-helixtrans-63.2-45.4173.5-69.2176.6178-170.51.3111.5E327 E397 I400 S401 Q402 E403 R408 R409E327-R405 WeakPolarHBondContact OE1-CD 3.33Å; E327-R405 IonicContact OE1-NH1 2.83Å; E397-R405 PolarHBondContact O-NH2 3.39Å; I400-R405 HydrophobicContact CB-CG 4.37Å; I400-R405 HydrophobicContact CG2-CG 3.76Å; S401-R405 WeakPolarHBondContact O-CG 3.33Å; S401-R405 PolarHBondContact O-N 3.04Å; Q402-R405 PolarHBondContact O-N 3.03Å; E403-R405 VanDerWaalsContact C-N 3.34Å; E403-R405 PolarHBondContact O-N 3.46Å; R405-R408 PolarHBondContact O-N 3.44Å; R405-R409 WeakPolarHBondContact O-CB 3.38Å; R405-R409 VanDerWaalsContact O-CG 3.28Å; R405-R409 WeakPolarHBondContact O-CG 3.41Å; R405-R409 PolarHBondContact O-N 2.85Å; R405-R409 PolarHBondContact O-NE 3.21Å
406V95.4Very high95.4Very high22 Ų2264 Ų6413%0.13330%0.301CS..Hα-helixtrans-60.5-45.8176.9169.90000110.9I263 T264 Q402 E403 R409 R410I263-V406 HydrophobicContact CG2-CG1 3.87Å; T264-V406 HydrophobicContact CG2-CG1 4.48Å; Q402-V406 VanDerWaalsContact O-CG2 3.26Å; Q402-V406 WeakPolarHBondContact O-CG2 3.26Å; Q402-V406 PolarHBondContact O-N 3Å; E403-V406 PolarHBondContact O-N 3.45Å; V406-R409 PolarHBondContact O-N 2.98Å; V406-R410 PolarHBondContact O-N 2.67Å
407D95.4Very high95.4Very high56 Ų5658.5 Ų58.530%0.29929%0.288SS..Hα-helixtrans-61.4-47.2177.1178.771.1000112.7E403 Q404 R409 R410 R411E403-D407 PolarHBondContact O-N 2.92Å; Q404-D407 PolarHBondContact O-N 3.29Å; D407-R409 VanDerWaalsContact C-N 3.33Å; D407-R409 PolarHBondContact O-N 3.25Å; D407-R410 WeakPolarHBondContact O-CB 3.45Å; D407-R410 PolarHBondContact O-N 3.46Å; D407-R410 IonicContact OD1-NH1 2.84Å; D407-R410 PolarHBondContact OD1-NH1 3.39Å; D407-R411 PolarHBondContact O-N 2.87Å; D407-R411 IonicContact OD2-CZ 3.61Å; D407-R411 VanDerWaalsContact OD2-CZ 3.25Å; D407-R411 IonicContact OD2-NE 3.67Å; D407-R411 PolarHBondContact OD2-NE 3.43Å; D407-R411 IonicContact OD2-NH2 2.7Å; D407-R411 PolarHBondContact OD2-NH2 2.88Å
408R95.3Very high95.5Very high46 Ų4659.5 Ų59.517%0.17430%0.3CS..Hα-helixtrans-61.2-41178.2-177.7174.8167.9-162.1-9.7112.1V351 E397 Q404 R405 R411 L412V351-R408 HydrophobicContact CG2-CG 3.98Å; E397-R408 VanDerWaalsContact CD-NH1 3.29Å; E397-R408 IonicContact OE1-NH1 2.8Å; E397-R408 PolarHBondContact OE1-NH1 3.44Å; E397-R408 VanDerWaalsContact OE1-NH1 3.14Å; E397-R408 IonicContact OE2-CZ 2.92Å; E397-R408 IonicContact OE2-NH1 2.9Å; E397-R408 PolarHBondContact OE2-NH1 2.93Å; E397-R408 IonicContact OE2-NH2 3.25Å; Q404-R408 WeakPolarHBondContact O-CB 3.47Å; Q404-R408 PolarHBondContact O-N 3.44Å; R405-R408 PolarHBondContact O-N 3.44Å; R408-R411 PolarHBondContact O-N 3.44Å; R408-L412 PolarHBondContact O-N 3.46Å
409R96Very high95.7Very high1 Ų154.2 Ų54.20%0.00428%0.28CS..Hα-helixtrans-64.3-42175.4-73.2-174-75.2162.8-18.6112.4L262 I263 S265 E327 G349 R405 V406 D407 L412 L413L262-R409 PolarHBondContact O-NH1 3.26Å; I263-R409 PolarHBondContact O-NE 3.01Å; I263-R409 PolarHBondContact O-NH1 3.27Å; I263-R409 PolarHBondContact O-NH2 2.87Å; S265-R409 PolarHBondContact O-NH1 3.03Å; S265-R409 PolarHBondContact O-NH2 3.17Å; S265-R409 PolarHBondContact OG-NH1 2.93Å; E327-R409 IonicContact OE2-NE 3.78Å; G349-R409 WeakPolarHBondContact O-CG 3.37Å; R405-R409 WeakPolarHBondContact O-CB 3.38Å; R405-R409 VanDerWaalsContact O-CG 3.28Å; R405-R409 WeakPolarHBondContact O-CG 3.41Å; R405-R409 PolarHBondContact O-N 2.85Å; R405-R409 PolarHBondContact O-NE 3.21Å; V406-R409 PolarHBondContact O-N 2.98Å; D407-R409 VanDerWaalsContact C-N 3.33Å; D407-R409 PolarHBondContact O-N 3.25Å; R409-L412 PolarHBondContact O-N 2.85Å; R409-L413 WeakPolarHBondContact O-CG 3.45Å; R409-L413 PolarHBondContact O-N 2.89Å
410R96.1Very high95.8Very high89 Ų8951.8 Ų51.834%0.33625%0.25SC..Hα-helixtrans-57.9-52.5174.6-171.5-168.7-51.3110.83110.7I263 V406 D407 L412 L413 E414I263-R410 HydrophobicContact CG2-CB 4.14Å; V406-R410 PolarHBondContact O-N 2.67Å; D407-R410 WeakPolarHBondContact O-CB 3.45Å; D407-R410 PolarHBondContact O-N 3.46Å; D407-R410 IonicContact OD1-NH1 2.84Å; D407-R410 PolarHBondContact OD1-NH1 3.39Å; R410-L412 VanDerWaalsContact C-N 3.3Å; R410-L412 PolarHBondContact O-N 3.04Å; R410-L413 PolarHBondContact O-N 2.92Å; R410-E414 WeakPolarHBondContact CD-OE1 3.39Å; R410-E414 HydrophobicContact CG-CG 4.39Å; R410-E414 VanDerWaalsContact CG-OE1 3.29Å; R410-E414 WeakPolarHBondContact CG-OE1 3.25Å; R410-E414 WeakPolarHBondContact O-CB 3.33Å; R410-E414 WeakPolarHBondContact O-CG 3.28Å; R410-E414 PolarHBondContact O-N 3.48Å
411R96.2Very high95.9Very high138 Ų13853.9 Ų53.952%0.52126%0.259SS..Hα-helixtrans-57.7-40.5178.7-75.8-170.5-77.9152.3-5.8112.9D407 R408 W415D407-R411 PolarHBondContact O-N 2.87Å; D407-R411 IonicContact OD2-CZ 3.61Å; D407-R411 VanDerWaalsContact OD2-CZ 3.25Å; D407-R411 IonicContact OD2-NE 3.67Å; D407-R411 PolarHBondContact OD2-NE 3.43Å; D407-R411 IonicContact OD2-NH2 2.7Å; D407-R411 PolarHBondContact OD2-NH2 2.88Å; R408-R411 PolarHBondContact O-N 3.44Å; R411-W415 WeakPolarHBondContact O-CB 3.47Å; R411-W415 PolarHBondContact O-N 3.31Å
412L97.2Very high95.9Very high2 Ų256.3 Ų56.31%0.0126%0.264CS..Hα-helixtrans-65.2-45.3176.717764.2000112.5C346 S350 V351 P380 F381 R408 R409 R410 W415 Y416C346-L412 HydrophobicContact CB-CD1 4.46Å; S350-L412 WeakPolarHBondContact O-CD2 3.39Å; V351-L412 HydrophobicContact CB-CD2 4.21Å; V351-L412 HydrophobicContact CG2-CD2 3.76Å; P380-L412 HydrophobicContact CG-CD1 3.95Å; F381-L412 HydrophobicContact CD1-CD1 4.3Å; F381-L412 HydrophobicContact CE1-CD1 3.9Å; R408-L412 PolarHBondContact O-N 3.46Å; R409-L412 PolarHBondContact O-N 2.85Å; R410-L412 VanDerWaalsContact C-N 3.3Å; R410-L412 PolarHBondContact O-N 3.04Å; L412-W415 HydrophobicContact CD1-CE3 4.36Å; L412-W415 PolarHBondContact O-N 2.85Å; L412-Y416 WeakPolarHBondContact O-CB 3.16Å; L412-Y416 PolarHBondContact O-N 3.46Å
413L96.6Very high96Very high6 Ų653.6 Ų53.63%0.03125%0.251CS..Hα-helixtrans-66.2-42.1179.4-73.6166.3000111.6P258 L262 I263 C346 R409 R410 Y416 S417P258-L413 HydrophobicContact CB-CB 4.44Å; P258-L413 HydrophobicContact CG-CB 4.37Å; P258-L413 HydrophobicContact CG-CD2 4.36Å; L262-L413 HydrophobicContact CB-CD1 4.37Å; I263-L413 HydrophobicContact CD1-CD1 4.37Å; I263-L413 HydrophobicContact CG1-CD1 3.58Å; C346-L413 WeakPolarHBondContact O-CD2 3.29Å; R409-L413 WeakPolarHBondContact O-CG 3.45Å; R409-L413 PolarHBondContact O-N 2.89Å; R410-L413 PolarHBondContact O-N 2.92Å; L413-Y416 PolarHBondContact O-N 2.92Å; L413-S417 WeakPolarHBondContact O-CB 3.47Å; L413-S417 PolarHBondContact O-N 3.11Å
414E95.7Very high96.2Very high116 Ų11647.5 Ų47.554%0.54222%0.223SC..Hα-helixtrans-62.4-48.3173.9-74170.5175.300111.1R410 Y416 S417 G418R410-E414 WeakPolarHBondContact CD-OE1 3.39Å; R410-E414 HydrophobicContact CG-CG 4.39Å; R410-E414 VanDerWaalsContact CG-OE1 3.29Å; R410-E414 WeakPolarHBondContact CG-OE1 3.25Å; R410-E414 WeakPolarHBondContact O-CB 3.33Å; R410-E414 WeakPolarHBondContact O-CG 3.28Å; R410-E414 PolarHBondContact O-N 3.48Å; E414-Y416 VanDerWaalsContact C-N 3.34Å; E414-Y416 PolarHBondContact O-N 2.9Å; E414-S417 PolarHBondContact O-N 3.29Å; E414-G418 PolarHBondContact O-N 3.49Å
415W96.6Very high96.2Very high38 Ų3846.6 Ų46.614%0.14422%0.218CC..Hα-helixtrans-57.1-46.8175.8174.486.6000111.4L374 A377 G378 A379 P380 F381 R411 L412 S417 G418 F419L374-W415 HydrophobicContact CD2-CH2 3.93Å; A377-W415 HydrophobicContact CB-CZ2 4.1Å; A377-W415 PolarHBondContact O-NE1 2.93Å; G378-W415 PolarHBondContact O-NE1 2.88Å; A379-W415 VanDerWaalsContact CA-CZ2 3.49Å; A379-W415 HydrophobicContact CB-CH2 3.82Å; A379-W415 HydrophobicContact CB-CZ2 3.52Å; P380-W415 VanDerWaalsContact CD-CD2 3.44Å; P380-W415 HydrophobicContact CG-CB 4.14Å; P380-W415 HydrophobicContact CG-CD2 4.3Å; P380-W415 HydrophobicContact CG-CG 4.06Å; F381-W415 HydrophobicContact CE1-CE3 4.22Å; F381-W415 HydrophobicContact CE1-CH2 4.12Å; F381-W415 AromaticContact CE1-CZ3 3.71Å; F381-W415 HydrophobicContact CE1-CZ3 3.71Å; F381-W415 HydrophobicContact CE2-CH2 4.44Å; F381-W415 HydrophobicContact CZ-CE3 4.47Å; F381-W415 AromaticContact CZ-CH2 3.61Å; F381-W415 HydrophobicContact CZ-CH2 3.61Å; F381-W415 AromaticContact CZ-CZ3 3.54Å; F381-W415 HydrophobicContact CZ-CZ3 3.54Å; R411-W415 WeakPolarHBondContact O-CB 3.47Å; R411-W415 PolarHBondContact O-N 3.31Å; L412-W415 HydrophobicContact CD1-CE3 4.36Å; L412-W415 PolarHBondContact O-N 2.85Å; W415-S417 PolarHBondContact O-N 3.48Å; W415-G418 CarbonylContact O-C 3.57Å; W415-G418 PolarHBondContact O-N 3.32Å; W415-F419 HydrophobicContact CH2-CB 4.28Å; W415-F419 HydrophobicContact CH2-CD2 4.37Å; W415-F419 HydrophobicContact CH2-CG 4.17Å; W415-F419 HydrophobicContact CZ2-CB 4.23Å; W415-F419 HydrophobicContact CZ2-CD2 4.17Å; W415-F419 HydrophobicContact CZ2-CG 4.27Å; W415-F419 WeakPolarHBondContact O-CB 3.35Å; W415-F419 PolarHBondContact O-N 2.86Å
416Y97.3Very high96.2Very high10 Ų1049.6 Ų49.64%0.03923%0.229CC..Hα-helixtrans-68.8-36.6-177.8-176.5-127.4000112.4Y343 C346 S347 L412 L413 E414 F419 R420Y343-Y416 AromaticContact CD1-CE2 3.9Å; Y343-Y416 HydrophobicContact CD1-CE2 3.9Å; C346-Y416 HydrophobicContact CB-CD1 3.78Å; C346-Y416 HydrophobicContact CB-CD2 3.8Å; C346-Y416 HydrophobicContact CB-CE1 4.26Å; C346-Y416 HydrophobicContact CB-CE2 4.3Å; C346-Y416 HydrophobicContact CB-CG 3.52Å; S347-Y416 WeakPolarHBondContact OG-CE1 3.5Å; L412-Y416 WeakPolarHBondContact O-CB 3.16Å; L412-Y416 PolarHBondContact O-N 3.46Å; L413-Y416 PolarHBondContact O-N 2.92Å; E414-Y416 VanDerWaalsContact C-N 3.34Å; E414-Y416 PolarHBondContact O-N 2.9Å; Y416-F419 HydrophobicContact CD2-CD1 4.25Å; Y416-F419 HydrophobicContact CE2-CD1 4.26Å; Y416-F419 PolarHBondContact O-N 2.93Å; Y416-R420 HydrophobicContact CE2-CG 4.08Å; Y416-R420 WeakPolarHBondContact O-CG 3.43Å; Y416-R420 PolarHBondContact O-N 3.03Å
417S95.4Very high96.2Very high51 Ų5148.5 Ų48.536%0.35722%0.223SC..Hα-helixtrans-62.3-45.2171.1-165.40000111.3L413 E414 W415 R420 Q421L413-S417 WeakPolarHBondContact O-CB 3.47Å; L413-S417 PolarHBondContact O-N 3.11Å; E414-S417 PolarHBondContact O-N 3.29Å; W415-S417 PolarHBondContact O-N 3.48Å; S417-R420 PolarHBondContact O-N 3.5Å; S417-Q421 PolarHBondContact O-N 3.09Å
418G96.1Very high96.3Very high28 Ų2846.3 Ų46.329%0.28921%0.211SC..Hα-helixtrans-62.2-41.3175.500000112.6E414 W415 Q421 Q422E414-G418 PolarHBondContact O-N 3.49Å; W415-G418 CarbonylContact O-C 3.57Å; W415-G418 PolarHBondContact O-N 3.32Å; G418-Q421 PolarHBondContact O-N 3.41Å; G418-Q422 WeakPolarHBondContact O-CG 3.37Å; G418-Q422 PolarHBondContact O-N 2.9Å
419F97.1Very high96.2Very high3 Ų348.5 Ų48.51%0.01322%0.224CC..Hα-helixtrans-59.8-48.7175.4175.5-100.7000111.5P244 Y343 L373 L374 A377 W415 Y416 Q421 Q422 M423P244-F419 HydrophobicContact CB-CE1 4Å; P244-F419 HydrophobicContact CB-CZ 3.88Å; P244-F419 HydrophobicContact CG-CE1 4.09Å; P244-F419 HydrophobicContact CG-CZ 4.03Å; Y343-F419 AromaticContact CE1-CE1 3.89Å; Y343-F419 HydrophobicContact CE1-CE1 3.89Å; Y343-F419 HydrophobicContact CE1-CZ 4.43Å; L373-F419 HydrophobicContact CD2-CE2 4.42Å; L373-F419 HydrophobicContact CD2-CZ 4.11Å; L373-F419 HydrophobicContact CG-CE2 4.16Å; L373-F419 HydrophobicContact CG-CZ 4.31Å; L374-F419 HydrophobicContact CD2-CE2 4.47Å; L374-F419 HydrophobicContact CD2-CZ 4.28Å; A377-F419 HydrophobicContact CB-CD2 3.78Å; A377-F419 HydrophobicContact CB-CE2 4.08Å; W415-F419 HydrophobicContact CH2-CB 4.28Å; W415-F419 HydrophobicContact CH2-CD2 4.37Å; W415-F419 HydrophobicContact CH2-CG 4.17Å; W415-F419 HydrophobicContact CZ2-CB 4.23Å; W415-F419 HydrophobicContact CZ2-CD2 4.17Å; W415-F419 HydrophobicContact CZ2-CG 4.27Å; W415-F419 WeakPolarHBondContact O-CB 3.35Å; W415-F419 PolarHBondContact O-N 2.86Å; Y416-F419 HydrophobicContact CD2-CD1 4.25Å; Y416-F419 HydrophobicContact CE2-CD1 4.26Å; Y416-F419 PolarHBondContact O-N 2.93Å; F419-Q421 VanDerWaalsContact C-N 3.3Å; F419-Q421 PolarHBondContact O-N 3.34Å; F419-Q422 PolarHBondContact O-N 3.48Å; F419-M423 HydrophobicContact CD1-CG 4.38Å; F419-M423 HydrophobicContact CD2-CG 4.49Å; F419-M423 HydrophobicContact CE1-CG 3.94Å; F419-M423 HydrophobicContact CE2-CG 4.07Å; F419-M423 HydrophobicContact CE2-SD 4.03Å; F419-M423 HydrophobicContact CZ-CG 3.77Å; F419-M423 HydrophobicContact CZ-SD 3.97Å; F419-M423 VanDerWaalsContact O-CG 3.31Å; F419-M423 WeakPolarHBondContact O-CG 3.46Å; F419-M423 PolarHBondContact O-N 3.3Å
420R96.9Very high96.2Very high17 Ų1748.5 Ų48.56%0.06422%0.224CC..Hα-helixtrans-60.5-40.6176.5-68.7-169.6-60.3126.64.6111.9H116 I117 E119 Y416 S417 M423 K424H116-R420 PolarHBondContact O-NH1 2.89Å; I117-R420 HydrophobicContact CD1-CB 3.96Å; I117-R420 HydrophobicContact CD1-CG 3.87Å; E119-R420 IonicContact OE1-CZ 3.49Å; E119-R420 IonicContact OE1-NH1 3.08Å; E119-R420 PolarHBondContact OE1-NH1 3.41Å; E119-R420 IonicContact OE1-NH2 2.72Å; E119-R420 PolarHBondContact OE1-NH2 2.88Å; Y416-R420 HydrophobicContact CE2-CG 4.08Å; Y416-R420 WeakPolarHBondContact O-CG 3.43Å; Y416-R420 PolarHBondContact O-N 3.03Å; S417-R420 PolarHBondContact O-N 3.5Å; R420-M423 PolarHBondContact O-N 3.25Å; R420-K424 PolarHBondContact O-N 3.14Å
421Q95.6Very high96.1Very high87 Ų8744.3 Ų44.341%0.40721%0.208SC..Hα-helixtrans-63.9-46176.5-176.560.631.100111.7S417 G418 F419 M423 K424 E425S417-Q421 PolarHBondContact O-N 3.09Å; G418-Q421 PolarHBondContact O-N 3.41Å; F419-Q421 VanDerWaalsContact C-N 3.3Å; F419-Q421 PolarHBondContact O-N 3.34Å; Q421-M423 VanDerWaalsContact C-N 3.3Å; Q421-M423 PolarHBondContact O-N 2.87Å; Q421-K424 WeakPolarHBondContact O-CB 3.34Å; Q421-K424 PolarHBondContact O-N 3.34Å; Q421-K424 VanDerWaalsContact O-N 3.15Å; Q421-E425 WeakPolarHBondContact CG-OE1 3.35Å; Q421-E425 PolarHBondContact NE2-OE1 3.32Å; Q421-E425 WeakPolarHBondContact O-CG 3.33Å; Q421-E425 PolarHBondContact O-N 3.36Å
422Q95.9Very high96Very high105 Ų10538.7 Ų38.749%0.49119%0.188SC..Hα-helixtrans-59.1-41.7174.9-73.617339.300111.6G418 F419 E425 R426G418-Q422 WeakPolarHBondContact O-CG 3.37Å; G418-Q422 PolarHBondContact O-N 2.9Å; F419-Q422 PolarHBondContact O-N 3.48Å; Q422-E425 PolarHBondContact O-N 2.84Å; Q422-R426 WeakPolarHBondContact O-CB 3.36Å; Q422-R426 PolarHBondContact O-N 2.82Å
423M96.9Very high95.7Very high12 Ų1242.8 Ų42.86%0.05921%0.207CC..Hα-helixtrans-65.8-38.5176.5-66.5-53.6-45.700112.3I117 W243 P244 L373 F419 R420 Q421 F427I117-M423 HydrophobicContact CD1-CB 4.18Å; I117-M423 HydrophobicContact CG2-CB 4.25Å; W243-M423 HydrophobicContact CD2-CE 4.18Å; W243-M423 HydrophobicContact CE3-CE 3.45Å; W243-M423 VanDerWaalsContact CE3-CE 3.45Å; W243-M423 HydrophobicContact CH2-CB 4.29Å; W243-M423 HydrophobicContact CH2-CE 3.97Å; W243-M423 HydrophobicContact CZ3-CE 3.33Å; P244-M423 VanDerWaalsContact CD-CE 3.44Å; P244-M423 HydrophobicContact CG-CE 4.18Å; P244-M423 HydrophobicContact CG-CG 4.13Å; P244-M423 HydrophobicContact CG-SD 4.38Å; L373-M423 HydrophobicContact CD1-SD 4.22Å; L373-M423 HydrophobicContact CD2-CE 4.49Å; L373-M423 HydrophobicContact CD2-SD 4.15Å; F419-M423 HydrophobicContact CD1-CG 4.38Å; F419-M423 HydrophobicContact CD2-CG 4.49Å; F419-M423 HydrophobicContact CE1-CG 3.94Å; F419-M423 HydrophobicContact CE2-CG 4.07Å; F419-M423 HydrophobicContact CE2-SD 4.03Å; F419-M423 HydrophobicContact CZ-CG 3.77Å; F419-M423 HydrophobicContact CZ-SD 3.97Å; F419-M423 VanDerWaalsContact O-CG 3.31Å; F419-M423 WeakPolarHBondContact O-CG 3.46Å; F419-M423 PolarHBondContact O-N 3.3Å; R420-M423 PolarHBondContact O-N 3.25Å; Q421-M423 VanDerWaalsContact C-N 3.3Å; Q421-M423 PolarHBondContact O-N 2.87Å; M423-F427 VanDerWaalsContact O-CB 3.24Å; M423-F427 WeakPolarHBondContact O-CB 3.48Å; M423-F427 PolarHBondContact O-N 2.94Å
424K97.1Very high95.5Very high34 Ų3445.6 Ų45.615%0.14822%0.222CC..Hα-helixtrans-62.4-48.8174.5173.1177-175.6161.60111.5I117 L118 S138 R420 Q421 T428I117-K424 HydrophobicContact CG2-CB 3.76Å; I117-K424 WeakPolarHBondContact O-CD 3.42Å; L118-K424 HydrophobicContact CD2-CG 4.14Å; L118-K424 PolarHBondContact O-NZ 2.83Å; S138-K424 VanDerWaalsContact OG-CE 3.25Å; S138-K424 WeakPolarHBondContact OG-CE 3.36Å; R420-K424 PolarHBondContact O-N 3.14Å; Q421-K424 WeakPolarHBondContact O-CB 3.34Å; Q421-K424 PolarHBondContact O-N 3.34Å; Q421-K424 VanDerWaalsContact O-N 3.15Å; K424-T428 WeakPolarHBondContact O-CB 3.4Å; K424-T428 PolarHBondContact O-N 2.91Å; K424-T428 PolarHBondContact O-OG1 3.42Å
425E95.4Very high95.3Very high87 Ų8740.5 Ų40.541%0.40720%0.198SC..Hα-helixtrans-61.5-53.1178.3-73.4167.8-17900110.1Q421 Q422 F427 T428 E429Q421-E425 WeakPolarHBondContact CG-OE1 3.35Å; Q421-E425 PolarHBondContact NE2-OE1 3.32Å; Q421-E425 WeakPolarHBondContact O-CG 3.33Å; Q421-E425 PolarHBondContact O-N 3.36Å; Q422-E425 PolarHBondContact O-N 2.84Å; E425-F427 VanDerWaalsContact C-N 3.33Å; E425-F427 PolarHBondContact O-N 3.48Å; E425-T428 PolarHBondContact O-N 3.33Å; E425-E429 WeakPolarHBondContact O-CB 3.28Å; E425-E429 VanDerWaalsContact O-CG 3.3Å; E425-E429 WeakPolarHBondContact O-CG 3.35Å; E425-E429 PolarHBondContact O-N 2.89Å
426R95.1Very high95Very high93 Ų9341 Ų4135%0.35120%0.201SC..Hα-helixtrans-57-44.4179.5-175.558.6171.6169.5-1.5112.5Q422 V430Q422-R426 WeakPolarHBondContact O-CB 3.36Å; Q422-R426 PolarHBondContact O-N 2.82Å; R426-V430 HydrophobicContact CG-CG2 4.45Å; R426-V430 WeakPolarHBondContact O-CB 3.13Å; R426-V430 WeakPolarHBondContact O-CG2 3.49Å; R426-V430 PolarHBondContact O-N 2.82Å
427F97.1Very high94.2Very high0 Ų045.1 Ų45.10%022%0.22CC..Hα-helixtrans-61.8-47.5176-179.8-99.7000111.7L113 L118 F143 V164 V200 F227 W243 M423 E425 I431L113-F427 HydrophobicContact CD1-CD1 4.35Å; L113-F427 HydrophobicContact CD1-CD2 4.34Å; L113-F427 HydrophobicContact CD1-CE1 4.36Å; L113-F427 HydrophobicContact CD1-CE2 4.35Å; L113-F427 HydrophobicContact CD1-CG 4.34Å; L113-F427 HydrophobicContact CD1-CZ 4.36Å; L113-F427 HydrophobicContact CD2-CE2 4.42Å; L113-F427 HydrophobicContact CD2-CZ 4.1Å; L118-F427 HydrophobicContact CD2-CD1 4.42Å; F143-F427 AromaticContact CE1-CE1 3.85Å; F143-F427 HydrophobicContact CE1-CE1 3.85Å; F143-F427 HydrophobicContact CZ-CD1 4.16Å; F143-F427 AromaticContact CZ-CE1 3.79Å; F143-F427 HydrophobicContact CZ-CE1 3.79Å; V164-F427 HydrophobicContact CG1-CZ 4.2Å; V164-F427 HydrophobicContact CG2-CZ 4.26Å; V200-F427 HydrophobicContact CG2-CE2 4.2Å; F227-F427 HydrophobicContact CD1-CD2 4.35Å; F227-F427 HydrophobicContact CD2-CD2 4.31Å; F227-F427 HydrophobicContact CD2-CE2 4.08Å; F227-F427 AromaticContact CE1-CD2 3.93Å; F227-F427 HydrophobicContact CE1-CD2 3.93Å; F227-F427 AromaticContact CE2-CD2 3.88Å; F227-F427 HydrophobicContact CE2-CD2 3.88Å; F227-F427 AromaticContact CE2-CE2 3.73Å; F227-F427 HydrophobicContact CE2-CE2 3.73Å; F227-F427 AromaticContact CZ-CD2 3.66Å; F227-F427 HydrophobicContact CZ-CD2 3.66Å; F227-F427 HydrophobicContact CZ-CE2 4.01Å; W243-F427 HydrophobicContact CH2-CB 3.75Å; W243-F427 HydrophobicContact CH2-CD2 4.02Å; W243-F427 HydrophobicContact CH2-CG 4.08Å; W243-F427 HydrophobicContact CZ3-CB 3.82Å; W243-F427 AromaticContact CZ3-CD2 3.95Å; W243-F427 HydrophobicContact CZ3-CD2 3.95Å; W243-F427 HydrophobicContact CZ3-CG 4.27Å; M423-F427 VanDerWaalsContact O-CB 3.24Å; M423-F427 WeakPolarHBondContact O-CB 3.48Å; M423-F427 PolarHBondContact O-N 2.94Å; E425-F427 VanDerWaalsContact C-N 3.33Å; E425-F427 PolarHBondContact O-N 3.48Å; F427-I431 HydrophobicContact CE1-CG1 4.3Å; F427-I431 HydrophobicContact CE2-CG1 4.36Å; F427-I431 HydrophobicContact CZ-CG1 4.18Å; F427-I431 WeakPolarHBondContact O-CB 3.32Å; F427-I431 WeakPolarHBondContact O-CG1 3.23Å; F427-I431 PolarHBondContact O-N 2.89Å; F427-I431 VanDerWaalsContact O-N 3.12Å
428T95.9Very high92.3Very high9 Ų949.5 Ų49.56%0.05524%0.244CC..Hα-helixtrans-64.1-44.1-179.1-53.60000111.1S138 V141 F143 K424 E425 I431 E432S138-T428 WeakPolarHBondContact O-CG2 3.42Å; S138-T428 PolarHBondContact OG-OG1 2.9Å; V141-T428 HydrophobicContact CB-CG2 4.33Å; V141-T428 HydrophobicContact CG2-CG2 3.98Å; F143-T428 HydrophobicContact CE2-CG2 4.43Å; K424-T428 WeakPolarHBondContact O-CB 3.4Å; K424-T428 PolarHBondContact O-N 2.91Å; K424-T428 PolarHBondContact O-OG1 3.42Å; E425-T428 PolarHBondContact O-N 3.33Å; T428-I431 PolarHBondContact O-N 3.36Å; T428-E432 WeakPolarHBondContact O-CB 3.49Å; T428-E432 PolarHBondContact O-N 3.23Å
429E94.1Very high89.9Confident92 Ų9257.6 Ų57.643%0.4329%0.288SS..Hα-helixtrans-63.3-49.9178.9-74.5172.7177.600111.9E425 I431 E432 E433E425-E429 WeakPolarHBondContact O-CB 3.28Å; E425-E429 VanDerWaalsContact O-CG 3.3Å; E425-E429 WeakPolarHBondContact O-CG 3.35Å; E425-E429 PolarHBondContact O-N 2.89Å; E429-I431 VanDerWaalsContact C-N 3.28Å; E429-I431 PolarHBondContact O-N 3.4Å; E429-E432 PolarHBondContact O-N 3.39Å; E429-E432 VanDerWaalsContact O-N 3.13Å; E429-E433 WeakPolarHBondContact O-CB 3.29Å; E429-E433 VanDerWaalsContact O-CG 3.3Å; E429-E433 WeakPolarHBondContact O-CG 3.15Å; E429-E433 PolarHBondContact O-N 3.2Å
430V95.3Very high89.6Confident2 Ų260.4 Ų60.41%0.01230%0.301CS..Hα-helixtrans-59.9-41.3179.8167.50000110.8L225 F227 F241 R426 N434L225-V430 HydrophobicContact CD1-CG1 3.74Å; L225-V430 HydrophobicContact CD2-CG1 3.89Å; L225-V430 HydrophobicContact CG-CG1 4.42Å; F227-V430 HydrophobicContact CE1-CG1 4.24Å; F227-V430 HydrophobicContact CZ-CB 4.17Å; F227-V430 HydrophobicContact CZ-CG1 3.72Å; F241-V430 HydrophobicContact CD1-CG2 4.32Å; F241-V430 HydrophobicContact CD2-CG1 4.15Å; F241-V430 HydrophobicContact CE1-CG1 4.38Å; F241-V430 HydrophobicContact CE1-CG2 3.77Å; F241-V430 HydrophobicContact CE2-CG1 3.57Å; F241-V430 HydrophobicContact CE2-CG2 4.43Å; F241-V430 HydrophobicContact CZ-CB 4.45Å; F241-V430 HydrophobicContact CZ-CG1 3.67Å; F241-V430 HydrophobicContact CZ-CG2 3.82Å; R426-V430 HydrophobicContact CG-CG2 4.45Å; R426-V430 WeakPolarHBondContact O-CB 3.13Å; R426-V430 WeakPolarHBondContact O-CG2 3.49Å; R426-V430 PolarHBondContact O-N 2.82Å; V430-N434 WeakPolarHBondContact O-CB 3.34Å; V430-N434 PolarHBondContact O-N 2.96Å; V430-N434 PolarHBondContact O-ND2 2.93Å
431I95.3Very high89.2Confident0 Ų062.6 Ų62.60%031%0.314CS..Hα-helixtrans-66.1-46.6174.9-67.5-70.5000110.9V101 V164 A198 L225 F227 F427 T428 E429 E433 F435 F436V101-I431 HydrophobicContact CG2-CG2 3.81Å; V164-I431 HydrophobicContact CG2-CD1 4.07Å; A198-I431 HydrophobicContact CB-CD1 3.84Å; L225-I431 HydrophobicContact CD1-CD1 3.91Å; F227-I431 HydrophobicContact CE2-CD1 4.32Å; F427-I431 HydrophobicContact CE1-CG1 4.3Å; F427-I431 HydrophobicContact CE2-CG1 4.36Å; F427-I431 HydrophobicContact CZ-CG1 4.18Å; F427-I431 WeakPolarHBondContact O-CB 3.32Å; F427-I431 WeakPolarHBondContact O-CG1 3.23Å; F427-I431 PolarHBondContact O-N 2.89Å; F427-I431 VanDerWaalsContact O-N 3.12Å; T428-I431 PolarHBondContact O-N 3.36Å; E429-I431 VanDerWaalsContact C-N 3.28Å; E429-I431 PolarHBondContact O-N 3.4Å; I431-E433 VanDerWaalsContact C-N 3.33Å; I431-E433 PolarHBondContact O-N 3.26Å; I431-F435 HydrophobicContact CD1-CE1 4.45Å; I431-F435 HydrophobicContact CD1-CE2 4Å; I431-F435 HydrophobicContact CD1-CZ 3.98Å; I431-F435 HydrophobicContact CG2-CD2 3.86Å; I431-F435 HydrophobicContact CG2-CE2 4.24Å; I431-F435 HydrophobicContact CG2-CG 4.37Å; I431-F435 VanDerWaalsContact O-CB 3.27Å; I431-F435 WeakPolarHBondContact O-CB 3.21Å; I431-F435 PolarHBondContact O-N 2.83Å; I431-F436 HydrophobicContact CG2-CE2 4.36Å
432E92.5Very high88.8Confident21 Ų2161.3 Ų61.310%0.09831%0.309CS..Hα-helixtrans-58.4-46.7179.1-171.3-178.8150.800111.6Y99 K140 V141 T428 E429 F436 K437Y99-E432 HydrophobicContact CD2-CG 3.94Å; Y99-E432 HydrophobicContact CE2-CG 3.71Å; K140-E432 IonicContact NZ-OE1 3.81Å; V141-E432 HydrophobicContact CG2-CB 4.43Å; T428-E432 WeakPolarHBondContact O-CB 3.49Å; T428-E432 PolarHBondContact O-N 3.23Å; E429-E432 PolarHBondContact O-N 3.39Å; E429-E432 VanDerWaalsContact O-N 3.13Å; E432-F436 PolarHBondContact O-N 3.22Å; E432-K437 PolarHBondContact O-N 3.19Å; E432-K437 VanDerWaalsContact O-N 3.14Å; E432-K437 WeakPolarHBondContact OE1-CE 3.31Å; E432-K437 IonicContact OE1-NZ 3.39Å
433E91.4Very high88.4Confident87 Ų8758.7 Ų58.741%0.40730%0.298SS..Hα-helixtrans-67.8-43.6-177-72.3-179.9170.600112.6E429 I431 K437E429-E433 WeakPolarHBondContact O-CB 3.29Å; E429-E433 VanDerWaalsContact O-CG 3.3Å; E429-E433 WeakPolarHBondContact O-CG 3.15Å; E429-E433 PolarHBondContact O-N 3.2Å; I431-E433 VanDerWaalsContact C-N 3.33Å; I431-E433 PolarHBondContact O-N 3.26Å; E433-K437 HydrophobicContact CG-CD 4.1Å
434N92Very high87.9Confident66 Ų6661.6 Ų61.635%0.35331%0.313SS..Hα-helixtrans-87.2-28.3-173.8-74.2-89.9000113.8L225 V430L225-N434 HydrophobicContact CD1-CB 3.87Å; L225-N434 HydrophobicContact CD2-CB 4.06Å; L225-N434 HydrophobicContact CG-CB 4.19Å; V430-N434 WeakPolarHBondContact O-CB 3.34Å; V430-N434 PolarHBondContact O-N 2.96Å; V430-N434 PolarHBondContact O-ND2 2.93Å
435F92.3Very high87.3Confident8 Ų863.5 Ų63.54%0.03532%0.324CS..Hα-helixtrans-92.2-30.6-177.9-716.5000112.7V101 H196 A198 D224 L225 I431V101-F435 HydrophobicContact CG2-CD2 4.31Å; H196-F435 HydrophobicContact CB-CB 4.16Å; H196-F435 HydrophobicContact CB-CD1 3.53Å; H196-F435 HydrophobicContact CB-CD2 3.76Å; H196-F435 HydrophobicContact CB-CE1 3.68Å; H196-F435 HydrophobicContact CB-CE2 3.9Å; H196-F435 HydrophobicContact CB-CG 3.55Å; H196-F435 HydrophobicContact CB-CZ 3.84Å; H196-F435 PolarHBondContact CD2-O 2.91Å; H196-F435 AromaticContact CG-CD1 3.97Å; H196-F435 AromaticContact CG-CG 3.94Å; H196-F435 PolarHBondContact NE2-O 2.86Å; H196-F435 VanDerWaalsContact NE2-O 3.15Å; A198-F435 HydrophobicContact CB-CE1 4.34Å; A198-F435 HydrophobicContact CB-CZ 3.73Å; D224-F435 HydrophobicContact CB-CE1 4.16Å; L225-F435 HydrophobicContact CD1-CD1 4.36Å; L225-F435 HydrophobicContact CD1-CE1 3.89Å; L225-F435 HydrophobicContact CG-CE1 4.45Å; I431-F435 HydrophobicContact CD1-CE1 4.45Å; I431-F435 HydrophobicContact CD1-CE2 4Å; I431-F435 HydrophobicContact CD1-CZ 3.98Å; I431-F435 HydrophobicContact CG2-CD2 3.86Å; I431-F435 HydrophobicContact CG2-CE2 4.24Å; I431-F435 HydrophobicContact CG2-CG 4.37Å; I431-F435 VanDerWaalsContact O-CB 3.27Å; I431-F435 WeakPolarHBondContact O-CB 3.21Å; I431-F435 PolarHBondContact O-N 2.83Å
436F89.5Confident86.7Confident49 Ų4961.8 Ų61.822%0.21532%0.318CS..THydrogen-bonded Turntrans-129.1-25.2-165.7-52.4-69.5000115Y99 V101 S162 I431 E432Y99-F436 VanDerWaalsContact CB-CE2 3.48Å; Y99-F436 HydrophobicContact CD1-CB 3.61Å; Y99-F436 AromaticContact CD1-CD1 3.46Å; Y99-F436 HydrophobicContact CD1-CD1 3.46Å; Y99-F436 VanDerWaalsContact CD1-CD1 3.46Å; Y99-F436 AromaticContact CD1-CD2 3.84Å; Y99-F436 HydrophobicContact CD1-CD2 3.84Å; Y99-F436 HydrophobicContact CD1-CE1 4.05Å; Y99-F436 HydrophobicContact CD1-CE2 4.41Å; Y99-F436 AromaticContact CD1-CG 3.33Å; Y99-F436 HydrophobicContact CD1-CG 3.33Å; Y99-F436 HydrophobicContact CD1-CZ 4.49Å; Y99-F436 HydrophobicContact CD2-CB 4.04Å; Y99-F436 AromaticContact CD2-CD2 3.74Å; Y99-F436 HydrophobicContact CD2-CD2 3.74Å; Y99-F436 HydrophobicContact CD2-CE2 4.44Å; Y99-F436 AromaticContact CD2-CG 3.95Å; Y99-F436 HydrophobicContact CD2-CG 3.95Å; Y99-F436 HydrophobicContact CE1-CB 3.39Å; Y99-F436 HydrophobicContact CE1-CD1 4Å; Y99-F436 HydrophobicContact CE1-CD2 4.47Å; Y99-F436 AromaticContact CE1-CG 3.71Å; Y99-F436 HydrophobicContact CE1-CG 3.71Å; Y99-F436 HydrophobicContact CE2-CB 3.81Å; Y99-F436 HydrophobicContact CE2-CD2 4.35Å; Y99-F436 HydrophobicContact CE2-CG 4.24Å; Y99-F436 HydrophobicContact CG-CB 3.93Å; Y99-F436 AromaticContact CG-CD1 3.92Å; Y99-F436 HydrophobicContact CG-CD1 3.92Å; Y99-F436 AromaticContact CG-CD2 3.44Å; Y99-F436 HydrophobicContact CG-CD2 3.44Å; Y99-F436 VanDerWaalsContact CG-CD2 3.44Å; Y99-F436 HydrophobicContact CG-CE1 4.3Å; Y99-F436 AromaticContact CG-CE2 3.88Å; Y99-F436 HydrophobicContact CG-CE2 3.88Å; Y99-F436 AromaticContact CG-CG 3.47Å; Y99-F436 HydrophobicContact CG-CG 3.47Å; Y99-F436 VanDerWaalsContact CG-CG 3.47Å; Y99-F436 HydrophobicContact CG-CZ 4.28Å; Y99-F436 VanDerWaalsContact CZ-CB 3.48Å; V101-F436 HydrophobicContact CG2-CE2 3.68Å; V101-F436 HydrophobicContact CG2-CZ 3.66Å; S162-F436 WeakPolarHBondContact OG-CZ 3.4Å; I431-F436 HydrophobicContact CG2-CE2 4.36Å; E432-F436 PolarHBondContact O-N 3.22Å
437K81.9Confident86Confident97 Ų9759.4 Ų59.442%0.42232%0.316SS..SBendtrans-85.9115.2169.3-61.4-177.2-169.3158.40107.5E432 E433 V439E432-K437 PolarHBondContact O-N 3.19Å; E432-K437 VanDerWaalsContact O-N 3.14Å; E432-K437 WeakPolarHBondContact OE1-CE 3.31Å; E432-K437 IonicContact OE1-NZ 3.39Å; E433-K437 HydrophobicContact CG-CD 4.1Å; K437-V439 PolarHBondContact O-N 3.34Å
438T55.5Low85.1Confident142 Ų14264.3 Ų64.387%0.87134%0.342SS*.  trans-62.6124.6174.6-22.30000107.9
439V45.6Very low84.1Confident199 Ų19969.4 Ų69.4100%1.20637%0.368SS*.  trans-780158.4178.70000108.2K437K437-V439 PolarHBondContact O-N 3.34Å

Retrieved 439 of 439 residues in 138.8 ms (Link to these results)

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