A0A096N261_PAPAN Loading...

Protein-tyrosine sulfotransferase

Catalyzes the O-sulfation of tyrosine residues within acidic motifs of polypeptides, using 3'-phosphoadenylyl sulfate (PAPS) as cosubstrate.

AlphaFold DB (A0A7N9CT61), UniProt , Accession A0A096N261, Species PAPAN (Papio anubis, Olive baboon), Gene TPST1, Length 370 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.2Low71.3Confident223 Ų223128.3 Ų128.3100%1.09967%0.667SS**  0-30.40-109.8177.4-83.200114.3
2V57.3Low72.5Confident104 Ų104121.3 Ų121.363%0.6364%0.642SS**Hα-helixtrans-71.1-31.2-176.2-179.50000114.6K6V2-K6 PolarHBondContact O-N 2.96Å
3G65.3Low73.2Confident52 Ų52117.8 Ų117.854%0.53663%0.632SS.*Hα-helixtrans-68.2-44-178.700000114.5L5 K6 Q7G3-L5 VanDerWaalsContact C-N 3.31Å; G3-L5 PolarHBondContact O-N 3.47Å; G3-K6 PolarHBondContact O-N 3.27Å; G3-Q7 PolarHBondContact O-N 3.32Å; G3-Q7 VanDerWaalsContact O-N 3.1Å
4K65.6Low74.1Confident167 Ų167117.7 Ų117.773%0.72663%0.63SS**Hα-helixtrans-65.3-34.3177.1-75.9-175.3175.1-177.40112.2Q7 N8K4-Q7 PolarHBondContact O-N 3.19Å; K4-N8 WeakPolarHBondContact O-CB 3.28Å; K4-N8 PolarHBondContact O-N 3.28Å; K4-N8 PolarHBondContact O-ND2 3.13Å; K4-N8 PolarHBondContact O-OD1 3.37Å
5L70.9Confident75.1Confident128 Ų128115.6 Ų115.667%0.6762%0.623SS**Hα-helixtrans-67.9-42.6177.4-169.567.7000111.8G3 N8 L9G3-L5 VanDerWaalsContact C-N 3.31Å; G3-L5 PolarHBondContact O-N 3.47Å; L5-N8 PolarHBondContact O-N 3.13Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.39Å
6K70Confident75.8Confident142 Ų142115.1 Ų115.162%0.61762%0.619SS**Hα-helixtrans-64.4-39.7175.2-75.8-173.1175.3-174.20112.4V2 G3 L9 L10V2-K6 PolarHBondContact O-N 2.96Å; G3-K6 PolarHBondContact O-N 3.27Å; K6-L9 PolarHBondContact O-N 3.01Å; K6-L10 WeakPolarHBondContact O-CB 3.22Å; K6-L10 PolarHBondContact O-N 2.77Å
7Q74.6Confident76.1Confident129 Ų129111.9 Ų111.960%0.60361%0.607SS**Hα-helixtrans-68.4-40.3179.3-164.9165.45.700112G3 K4 L10 L11G3-Q7 PolarHBondContact O-N 3.32Å; G3-Q7 VanDerWaalsContact O-N 3.1Å; K4-Q7 PolarHBondContact O-N 3.19Å; Q7-L10 PolarHBondContact O-N 3.14Å; Q7-L11 PolarHBondContact O-N 3.4Å
8N76.3Confident76.5Confident109 Ų109109.2 Ų109.258%0.58360%0.598SS**Hα-helixtrans-67-36.6174.7-69.5-5.8000112.3K4 L5 L11 A12K4-N8 WeakPolarHBondContact O-CB 3.28Å; K4-N8 PolarHBondContact O-N 3.28Å; K4-N8 PolarHBondContact O-ND2 3.13Å; K4-N8 PolarHBondContact O-OD1 3.37Å; L5-N8 PolarHBondContact O-N 3.13Å; N8-L11 PolarHBondContact O-N 2.96Å; N8-A12 WeakPolarHBondContact O-CB 3.45Å; N8-A12 PolarHBondContact O-N 3.3Å
9L80.9Confident77.1Confident118 Ų118108.1 Ų108.162%0.61860%0.595SS**Hα-helixtrans-68-42176.6-161.277.5000111.6L5 K6 L11 A12 C13L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.39Å; K6-L9 PolarHBondContact O-N 3.01Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-A12 PolarHBondContact O-N 3.21Å; L9-C13 PolarHBondContact O-N 3.32Å; L9-C13 PolarHBondContact O-SG 3.48Å; L9-C13 VanDerWaalsContact O-SG 3.36Å
10L81.9Confident77.4Confident123 Ų123106.2 Ų106.264%0.64459%0.586SS**Hα-helixtrans-61.3-43.3173.7-83.9160.3000111.4K6 Q7 A12 C13 L14K6-L10 WeakPolarHBondContact O-CB 3.22Å; K6-L10 PolarHBondContact O-N 2.77Å; Q7-L10 PolarHBondContact O-N 3.14Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-A12 PolarHBondContact O-N 3.05Å; L10-C13 PolarHBondContact O-N 3.44Å; L10-L14 WeakPolarHBondContact O-CB 3.37Å; L10-L14 PolarHBondContact O-N 3.05Å
11L83.7Confident77.7Confident116 Ų116106 Ų10661%0.60759%0.588SS**Hα-helixtrans-61.4-44.5175.9-130.792.7000111.3Q7 N8 L9 L14 V15Q7-L11 PolarHBondContact O-N 3.4Å; N8-L11 PolarHBondContact O-N 2.96Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L11-L14 PolarHBondContact O-N 2.89Å; L11-V15 VanDerWaalsContact O-CG2 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.43Å; L11-V15 PolarHBondContact O-N 2.71Å
12A84.9Confident78.9Confident45 Ų45101.9 Ų101.937%0.37256%0.564SS.*Hα-helixtrans-62.8-44.4178.100000111.8N8 L9 L10 L14 V15 I16N8-A12 WeakPolarHBondContact O-CB 3.45Å; N8-A12 PolarHBondContact O-N 3.3Å; L9-A12 PolarHBondContact O-N 3.21Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-A12 PolarHBondContact O-N 3.05Å; A12-L14 VanDerWaalsContact C-N 3.3Å; A12-L14 PolarHBondContact O-N 3.29Å; A12-V15 PolarHBondContact O-N 2.69Å; A12-I16 WeakPolarHBondContact O-CB 3.46Å; A12-I16 WeakPolarHBondContact O-CD1 3.22Å; A12-I16 WeakPolarHBondContact O-CG1 3.4Å; A12-I16 PolarHBondContact O-N 3.07Å
13C82.6Confident79.9Confident75 Ų75103.9 Ų103.951%0.50756%0.561SS.*Hα-helixtrans-61-39.6175.6-72.80000112.1L9 L10 I16 S17L9-C13 PolarHBondContact O-N 3.32Å; L9-C13 PolarHBondContact O-SG 3.48Å; L9-C13 VanDerWaalsContact O-SG 3.36Å; L10-C13 PolarHBondContact O-N 3.44Å; C13-I16 PolarHBondContact O-N 2.92Å; C13-S17 WeakPolarHBondContact O-CB 3.27Å; C13-S17 PolarHBondContact O-N 3.13Å; C13-S17 PolarHBondContact O-OG 3.45Å
14L85.8Confident80.5Confident117 Ų117106.9 Ų106.961%0.61356%0.564SS**Hα-helixtrans-70.1-37.2-179.5-141.8149.4000111.6L10 L11 A12 S17 S18L10-L14 WeakPolarHBondContact O-CB 3.37Å; L10-L14 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 2.89Å; A12-L14 VanDerWaalsContact C-N 3.3Å; A12-L14 PolarHBondContact O-N 3.29Å; L14-S17 PolarHBondContact O-OG 2.69Å; L14-S18 VanDerWaalsContact O-CB 3.3Å; L14-S18 WeakPolarHBondContact O-CB 3.45Å; L14-S18 PolarHBondContact O-N 3.01Å; L14-S18 PolarHBondContact O-OG 3.25Å
15V89.1Confident81Confident86 Ų86100.3 Ų100.352%0.52154%0.544SS..Hα-helixtrans-66.7-47.1172.9173.10000110.5L11 A12 S17 S18 V19L11-V15 VanDerWaalsContact O-CG2 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.43Å; L11-V15 PolarHBondContact O-N 2.71Å; A12-V15 PolarHBondContact O-N 2.69Å; V15-S17 PolarHBondContact O-N 2.89Å; V15-S18 PolarHBondContact O-N 3.2Å; V15-V19 HydrophobicContact CG1-CG2 4.39Å; V15-V19 VanDerWaalsContact O-CG2 3.31Å; V15-V19 WeakPolarHBondContact O-CG2 3.39Å; V15-V19 PolarHBondContact O-N 3.16Å
16I86.1Confident81.1Confident108 Ų10898.5 Ų98.555%0.55453%0.532SS*.Hα-helixtrans-62.3-44179.3-67.3164.5000110.8A12 C13 S18 V19 T20A12-I16 WeakPolarHBondContact O-CB 3.46Å; A12-I16 WeakPolarHBondContact O-CD1 3.22Å; A12-I16 WeakPolarHBondContact O-CG1 3.4Å; A12-I16 PolarHBondContact O-N 3.07Å; C13-I16 PolarHBondContact O-N 2.92Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 3.4Å; I16-V19 PolarHBondContact O-N 3.4Å; I16-T20 WeakPolarHBondContact O-CB 3.22Å; I16-T20 PolarHBondContact O-N 2.94Å; I16-T20 PolarHBondContact O-OG1 3.11Å
17S80.8Confident80.9Confident60 Ų6096.8 Ų96.842%0.4253%0.526SS..Hα-helixtrans-63.2-41.6177.865.80000111.3C13 L14 V15 T20 V21C13-S17 WeakPolarHBondContact O-CB 3.27Å; C13-S17 PolarHBondContact O-N 3.13Å; C13-S17 PolarHBondContact O-OG 3.45Å; L14-S17 PolarHBondContact O-OG 2.69Å; V15-S17 PolarHBondContact O-N 2.89Å; S17-T20 PolarHBondContact O-N 2.95Å; S17-V21 WeakPolarHBondContact O-CB 3.35Å; S17-V21 VanDerWaalsContact O-CG2 3.27Å; S17-V21 WeakPolarHBondContact O-CG2 3.34Å; S17-V21 PolarHBondContact O-N 3.35Å
18S83.3Confident80.5Confident64 Ų6493.5 Ų93.545%0.44852%0.521SS..Hα-helixtrans-65.1-42.5179.3-56.60000112L14 V15 I16 T20 V21 F22L14-S18 VanDerWaalsContact O-CB 3.3Å; L14-S18 WeakPolarHBondContact O-CB 3.45Å; L14-S18 PolarHBondContact O-N 3.01Å; L14-S18 PolarHBondContact O-OG 3.25Å; V15-S18 PolarHBondContact O-N 3.2Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 3.4Å; S18-T20 VanDerWaalsContact C-N 3.35Å; S18-V21 PolarHBondContact O-N 3.28Å; S18-F22 WeakPolarHBondContact O-CB 3.37Å; S18-F22 PolarHBondContact O-N 3.27Å
19V87Confident79.9Confident88 Ų8894.4 Ų94.453%0.53352%0.523SS..Hα-helixtrans-64.4-41175.1172.80000110.8V15 I16 F22 Y23V15-V19 HydrophobicContact CG1-CG2 4.39Å; V15-V19 VanDerWaalsContact O-CG2 3.31Å; V15-V19 WeakPolarHBondContact O-CG2 3.39Å; V15-V19 PolarHBondContact O-N 3.16Å; I16-V19 PolarHBondContact O-N 3.4Å; V19-F22 PolarHBondContact O-N 2.8Å; V19-Y23 WeakPolarHBondContact O-CB 3.46Å; V19-Y23 PolarHBondContact O-N 3.14Å
20T83.8Confident79.1Confident69 Ų6994.7 Ų94.742%0.42352%0.522SS..Hα-helixtrans-66.5-43.1179.5-48.40000111.4I16 S17 S18 F22 Y23 L24I16-T20 WeakPolarHBondContact O-CB 3.22Å; I16-T20 PolarHBondContact O-N 2.94Å; I16-T20 PolarHBondContact O-OG1 3.11Å; S17-T20 PolarHBondContact O-N 2.95Å; S18-T20 VanDerWaalsContact C-N 3.35Å; T20-F22 VanDerWaalsContact C-N 3.34Å; T20-Y23 PolarHBondContact O-N 3.02Å; T20-L24 HydrophobicContact CG2-CD1 4.1Å; T20-L24 WeakPolarHBondContact O-CB 3.43Å; T20-L24 VanDerWaalsContact O-CG 3.28Å; T20-L24 WeakPolarHBondContact O-CG 3.44Å; T20-L24 PolarHBondContact O-N 3.19Å
21V84Confident77.8Confident103 Ų10392.6 Ų92.662%0.62452%0.517SS*.Hα-helixtrans-63.5-41175.5170.70000110.9S17 S18 G25S17-V21 WeakPolarHBondContact O-CB 3.35Å; S17-V21 VanDerWaalsContact O-CG2 3.27Å; S17-V21 WeakPolarHBondContact O-CG2 3.34Å; S17-V21 PolarHBondContact O-N 3.35Å; S18-V21 PolarHBondContact O-N 3.28Å; V21-G25 PolarHBondContact O-N 2.9Å
22F82.7Confident76.5Confident136 Ų13692.6 Ų92.660%0.59651%0.513SS*.Hα-helixtrans-64.6-44176.5-170.5-95.8000111.9S18 V19 T20 G25 Q26S18-F22 WeakPolarHBondContact O-CB 3.37Å; S18-F22 PolarHBondContact O-N 3.27Å; V19-F22 PolarHBondContact O-N 2.8Å; T20-F22 VanDerWaalsContact C-N 3.34Å; F22-G25 PolarHBondContact O-N 2.95Å; F22-Q26 HydrophobicContact CD1-CG 4.3Å; F22-Q26 VanDerWaalsContact CE1-CD 3.42Å; F22-Q26 HydrophobicContact CE1-CG 3.99Å; F22-Q26 HydrophobicContact CZ-CG 4.42Å; F22-Q26 PolarHBondContact O-N 3.3Å
23Y79.4Confident74.9Confident146 Ų14695.7 Ų95.757%0.57352%0.52SS*.Hα-helixtrans-66.3-41179-147.4-93.3000112.2V19 T20 G25 Q26 H27V19-Y23 WeakPolarHBondContact O-CB 3.46Å; V19-Y23 PolarHBondContact O-N 3.14Å; T20-Y23 PolarHBondContact O-N 3.02Å; Y23-G25 VanDerWaalsContact C-N 3.33Å; Y23-Q26 PolarHBondContact O-N 3.37Å; Y23-H27 AromaticContact CD1-CD2 3.7Å; Y23-H27 AromaticContact CE1-CD2 3.69Å; Y23-H27 AromaticContact CE1-NE2 3.55Å; Y23-H27 PolarHBondContact O-N 3.48Å
24L77.7Confident73.5Confident115 Ų115100.4 Ų100.460%0.60253%0.527SS*.Hα-helixtrans-65-37.5172.6-72.4170.1000111.6T20 H27 A28T20-L24 HydrophobicContact CG2-CD1 4.1Å; T20-L24 WeakPolarHBondContact O-CB 3.43Å; T20-L24 VanDerWaalsContact O-CG 3.28Å; T20-L24 WeakPolarHBondContact O-CG 3.44Å; T20-L24 PolarHBondContact O-N 3.19Å; L24-H27 PolarHBondContact O-N 3.1Å; L24-A28 VanDerWaalsContact O-CB 3.31Å; L24-A28 WeakPolarHBondContact O-CB 3.3Å; L24-A28 PolarHBondContact O-N 3.22Å
25G75.7Confident72Confident29 Ų2999.9 Ų99.930%0.29952%0.524SS..Hα-helixtrans-64-42.3174.600000113V21 F22 Y23 A28 M29V21-G25 PolarHBondContact O-N 2.9Å; F22-G25 PolarHBondContact O-N 2.95Å; Y23-G25 VanDerWaalsContact C-N 3.33Å; G25-A28 PolarHBondContact O-N 3.4Å; G25-M29 WeakPolarHBondContact O-CG 3.33Å; G25-M29 PolarHBondContact O-N 2.84Å
26Q73.8Confident70.1Confident90 Ų90101.3 Ų101.342%0.42153%0.525SS..Hα-helixtrans-63.9-44.8174.3-73.5-171.7-43.800111.8F22 Y23 A28 M29 E30F22-Q26 HydrophobicContact CD1-CG 4.3Å; F22-Q26 VanDerWaalsContact CE1-CD 3.42Å; F22-Q26 HydrophobicContact CE1-CG 3.99Å; F22-Q26 HydrophobicContact CZ-CG 4.42Å; F22-Q26 PolarHBondContact O-N 3.3Å; Y23-Q26 PolarHBondContact O-N 3.37Å; Q26-A28 VanDerWaalsContact C-N 3.34Å; Q26-A28 PolarHBondContact O-N 3.43Å; Q26-M29 PolarHBondContact O-N 3.36Å; Q26-E30 PolarHBondContact O-N 3.21Å
27H65.9Low68.2Low106 Ų106102.3 Ų102.349%0.49153%0.527SS..Hα-helixtrans-64.1-36.1175.3-93.3-68.6000113.4Y23 L24 C31Y23-H27 AromaticContact CD1-CD2 3.7Å; Y23-H27 AromaticContact CE1-CD2 3.69Å; Y23-H27 AromaticContact CE1-NE2 3.55Å; Y23-H27 PolarHBondContact O-N 3.48Å; L24-H27 PolarHBondContact O-N 3.1Å; H27-C31 PolarHBondContact O-N 3.38Å
28A65.8Low66.7Low60 Ų60110.5 Ų110.550%0.49655%0.548SS..Hα-helixtrans-67.2-40.9175.400000111.6L24 G25 Q26 C31 H32L24-A28 VanDerWaalsContact O-CB 3.31Å; L24-A28 WeakPolarHBondContact O-CB 3.3Å; L24-A28 PolarHBondContact O-N 3.22Å; G25-A28 PolarHBondContact O-N 3.4Å; Q26-A28 VanDerWaalsContact C-N 3.34Å; Q26-A28 PolarHBondContact O-N 3.43Å; A28-C31 PolarHBondContact O-N 2.91Å; A28-H32 WeakPolarHBondContact O-CB 3.46Å; A28-H32 PolarHBondContact O-N 2.89Å
29M63.3Low64.8Low128 Ų128111.2 Ų111.263%0.63155%0.553SS**Hα-helixtrans-65.4-38.7175.1-75.4-169.6-72.700112.2G25 Q26 H32 H33G25-M29 WeakPolarHBondContact O-CG 3.33Å; G25-M29 PolarHBondContact O-N 2.84Å; Q26-M29 PolarHBondContact O-N 3.36Å; M29-H32 PolarHBondContact O-N 3.43Å; M29-H33 WeakPolarHBondContact O-CB 3.43Å; M29-H33 PolarHBondContact O-N 2.78Å
30E64.6Low62.3Low124 Ų124114.1 Ų114.158%0.57956%0.561SS**Hα-helixtrans-71.3-32.8176.7-165.7147.7-175.400112.6Q26 R34Q26-E30 PolarHBondContact O-N 3.21Å; E30-R34 WeakPolarHBondContact O-CB 3.38Å; E30-R34 WeakPolarHBondContact O-CG 3.22Å; E30-R34 PolarHBondContact O-N 3.04Å
31C53.2Low60Low80 Ų80116.7 Ų116.754%0.54158%0.579SS.*Hα-helixtrans-64-40.3166.1-89.80000112.2H27 A28 R34 I35H27-C31 PolarHBondContact O-N 3.38Å; A28-C31 PolarHBondContact O-N 2.91Å; C31-R34 PolarHBondContact O-N 3.21Å; C31-I35 WeakPolarHBondContact O-CD1 3.48Å; C31-I35 VanDerWaalsContact O-CG1 3.23Å; C31-I35 WeakPolarHBondContact O-CG1 3.33Å; C31-I35 PolarHBondContact O-N 2.92Å
32H57.9Low57.6Low115 Ų115117.8 Ų117.853%0.53259%0.586SS.*Hα-helixtrans-67.6-42.2179.1-147.170.8000111.6A28 M29 R34 I35 E36A28-H32 WeakPolarHBondContact O-CB 3.46Å; A28-H32 PolarHBondContact O-N 2.89Å; M29-H32 PolarHBondContact O-N 3.43Å; H32-R34 PolarHBondContact O-N 3.35Å; H32-I35 WeakPolarHBondContact O-CB 3.5Å; H32-I35 PolarHBondContact O-N 2.94Å; H32-I35 VanDerWaalsContact O-N 3.12Å; H32-E36 PolarHBondContact O-N 3.02Å
33H49.9Very low55.2Low110 Ų110120.7 Ų120.751%0.50960%0.598SS.*Hα-helixtrans-64.6-38.4176-162.2-70.9000112.1M29 I35 E36 E37M29-H33 WeakPolarHBondContact O-CB 3.43Å; M29-H33 PolarHBondContact O-N 2.78Å; H33-I35 VanDerWaalsContact C-N 3.32Å; H33-I35 PolarHBondContact O-N 3.5Å; H33-E36 PolarHBondContact O-N 2.91Å; H33-E37 IonicContact CE1-OE1 2.97Å; H33-E37 IonicContact ND1-OE1 3.42Å; H33-E37 PolarHBondContact O-N 3.34Å
34R53.4Low53.2Low175 Ų175120.7 Ų120.766%0.6661%0.607SS**Hα-helixtrans-67.6-29.1172.2-79.6-170.8179.2-163.90.9113.5E30 C31 H32 R38E30-R34 WeakPolarHBondContact O-CB 3.38Å; E30-R34 WeakPolarHBondContact O-CG 3.22Å; E30-R34 PolarHBondContact O-N 3.04Å; C31-R34 PolarHBondContact O-N 3.21Å; H32-R34 PolarHBondContact O-N 3.35Å; R34-R38 WeakPolarHBondContact O-CB 3.48Å; R34-R38 PolarHBondContact O-N 2.73Å
35I53.8Low51.2Low106 Ų106123.7 Ų123.754%0.54462%0.618SS.*Hα-helixtrans-72.8-43.5172.9-70.7165000109.5C31 H32 H33 R38 S39C31-I35 WeakPolarHBondContact O-CD1 3.48Å; C31-I35 VanDerWaalsContact O-CG1 3.23Å; C31-I35 WeakPolarHBondContact O-CG1 3.33Å; C31-I35 PolarHBondContact O-N 2.92Å; H32-I35 WeakPolarHBondContact O-CB 3.5Å; H32-I35 PolarHBondContact O-N 2.94Å; H32-I35 VanDerWaalsContact O-N 3.12Å; H33-I35 VanDerWaalsContact C-N 3.32Å; H33-I35 PolarHBondContact O-N 3.5Å; I35-R38 CarbonylContact O-C 3.58Å; I35-R38 PolarHBondContact O-N 2.9Å; I35-R38 VanDerWaalsContact O-N 3.16Å; I35-S39 PolarHBondContact O-N 3.07Å; I35-S39 PolarHBondContact O-OG 3.09Å
36E49.9Very low49.4Very low116 Ų116127.5 Ų127.554%0.54264%0.64SS.*Hα-helixtrans-62.7-44.2178.4-87-176.1150.500112.9H32 H33 R38 S39 Q40H32-E36 PolarHBondContact O-N 3.02Å; H33-E36 PolarHBondContact O-N 2.91Å; E36-R38 VanDerWaalsContact C-N 3.28Å; E36-R38 PolarHBondContact O-N 3.12Å; E36-S39 VanDerWaalsContact CA-OG 3.22Å; E36-S39 WeakPolarHBondContact CA-OG 3.48Å; E36-S39 PolarHBondContact O-N 3.07Å; E36-S39 VanDerWaalsContact O-N 3.09Å; E36-S39 PolarHBondContact O-OG 3.36Å; E36-Q40 PolarHBondContact O-N 3.09Å
37E47.3Very low48Very low129 Ų129128.2 Ų128.260%0.60365%0.651SS**Hα-helixtrans-63-32173.3-79-175.5164.100112.8H33 S39H33-E37 IonicContact CE1-OE1 2.97Å; H33-E37 IonicContact ND1-OE1 3.42Å; H33-E37 PolarHBondContact O-N 3.34Å; E37-S39 VanDerWaalsContact C-N 3.34Å
38R48.4Very low47.3Very low231 Ų231134.1 Ų134.187%0.87267%0.669SS**Hα-helixtrans-77.2-17.9174-110178.8175.1179.5-1.2113.9R34 I35 E36R34-R38 WeakPolarHBondContact O-CB 3.48Å; R34-R38 PolarHBondContact O-N 2.73Å; I35-R38 CarbonylContact O-C 3.58Å; I35-R38 PolarHBondContact O-N 2.9Å; I35-R38 VanDerWaalsContact O-N 3.16Å; E36-R38 VanDerWaalsContact C-N 3.28Å; E36-R38 PolarHBondContact O-N 3.12Å
39S42.4Very low47.1Very low79 Ų79133.8 Ų133.855%0.55266%0.661SS**THydrogen-bonded Turntrans-977.5-179.648.80000114.4I35 E36 E37I35-S39 PolarHBondContact O-N 3.07Å; I35-S39 PolarHBondContact O-OG 3.09Å; E36-S39 VanDerWaalsContact CA-OG 3.22Å; E36-S39 WeakPolarHBondContact CA-OG 3.48Å; E36-S39 PolarHBondContact O-N 3.07Å; E36-S39 VanDerWaalsContact O-N 3.09Å; E36-S39 PolarHBondContact O-OG 3.36Å; E37-S39 VanDerWaalsContact C-N 3.34Å
40Q35.5Very low47.5Very low150 Ų150132.9 Ų132.970%0.70166%0.663SS**SBendtrans-62.9127.4161.2-75-167.8-1.900109.3E36 V42E36-Q40 PolarHBondContact O-N 3.09Å; Q40-V42 VanDerWaalsContact C-N 3.31Å; Q40-V42 PolarHBondContact O-N 3.33Å
41P35Very low48Very low123 Ų123131.1 Ų131.180%0.79966%0.66SS**  trans-72.492.8177.729.7-30.6000107.7K43P41-K43 PolarHBondContact O-N 3.07Å
42V34.1Very low49.4Very low125 Ų125131.5 Ų131.576%0.75865%0.65SS**  trans-56.3113.6155.11790000104.8Q40 L44Q40-V42 VanDerWaalsContact C-N 3.31Å; Q40-V42 PolarHBondContact O-N 3.33Å; V42-L44 PolarHBondContact O-N 2.6Å
43K33Very low50.2Low198 Ų198131 Ų13186%0.86166%0.655SS**  trans-52.197.8167.5-98.7177.4171.71760106.4P41 E45P41-K43 PolarHBondContact O-N 3.07Å; K43-E45 VanDerWaalsContact C-N 3.29Å; K43-E45 PolarHBondContact O-N 3.03Å
44L35.9Very low51.1Low145 Ų145125.8 Ų125.876%0.75963%0.632SS**  trans-67.498.7172.3-161.378.6000105V42 S46V42-L44 PolarHBondContact O-N 2.6Å; L44-S46 PolarHBondContact O-N 2.9Å; L44-S46 VanDerWaalsContact O-N 3.17Å
45E35.9Very low51.8Low178 Ų178121.8 Ų121.883%0.83262%0.623SS**  trans-47.2125.7161.5-82.9-177143.900107.2K43 T47K43-E45 VanDerWaalsContact C-N 3.29Å; K43-E45 PolarHBondContact O-N 3.03Å; E45-T47 PolarHBondContact O-N 2.89Å
46S38.5Very low52.5Low109 Ų109118.1 Ų118.176%0.76261%0.605SS**  trans-34.1108173.5174.30000109.8L44 R48L44-S46 PolarHBondContact O-N 2.9Å; L44-S46 VanDerWaalsContact O-N 3.17Å; S46-R48 VanDerWaalsContact C-N 3.35Å; S46-R48 PolarHBondContact O-N 3.01Å
47T44.8Very low53Low106 Ų106119.7 Ų119.765%0.6562%0.616SS**  trans-57.9103176.5-39.60000106.1E45 T49E45-T47 PolarHBondContact O-N 2.89Å; T47-T49 PolarHBondContact O-N 3.09Å
48R51.5Low53.7Low229 Ų229121.1 Ų121.186%0.86462%0.62SS**  trans-55107.2177.6-83.4-179.6172.7170.6-1.5107.3S46 T50S46-R48 VanDerWaalsContact C-N 3.35Å; S46-R48 PolarHBondContact O-N 3.01Å; R48-T50 PolarHBondContact O-N 3Å
49T60.2Low54.4Low54 Ų54112.5 Ų112.533%0.33160%0.598SS.*  trans-53.4117.1172.6-63.60000107.5T47 V51 H66 D68T47-T49 PolarHBondContact O-N 3.09Å; T49-V51 PolarHBondContact O-N 3.19Å; T49-H66 HydrophobicContact CG2-CB 3.6Å; T49-D68 WeakPolarHBondContact CG2-OD2 3.43Å; T49-D68 PolarHBondContact OG1-OD2 3.21Å
50T71.8Confident55.4Low109 Ų109115.3 Ų115.367%0.66961%0.607SS**  trans-67.498.6178-49.70000108.5R48R48-T50 PolarHBondContact O-N 3Å
51V75.8Confident57.1Low86 Ų86115.2 Ų115.252%0.52160%0.604SS.*  trans-80.8120.1175.2-176.70000108.3T49 A64T49-V51 PolarHBondContact O-N 3.19Å; V51-A64 HydrophobicContact CG1-CB 3.7Å
52R81.9Confident58.9Low89 Ų89114.5 Ų114.534%0.33660%0.598SS.*EExtended strand (participates in β ladder)trans-99.7151.8172.6-66-178.3176-135.8-5.8109.8A64 Y65 E144R52-A64 WeakPolarHBondContact O-CA 3.4Å; R52-Y65 HydrophobicContact CB-CD1 4.22Å; R52-Y65 HydrophobicContact CB-CD2 4.07Å; R52-Y65 HydrophobicContact CB-CE1 3.71Å; R52-Y65 HydrophobicContact CB-CE2 3.56Å; R52-Y65 HydrophobicContact CB-CG 4.38Å; R52-Y65 HydrophobicContact CG-CE2 4.17Å; R52-Y65 PolarHBondContact N-O 3.3Å; R52-Y65 PolarHBondContact O-N 3.43Å; R52-E144 IonicContact CZ-OE1 2.79Å; R52-E144 IonicContact NH1-OE1 2.6Å; R52-E144 PolarHBondContact NH1-OE1 3.02Å
53T75.4Confident61.1Low103 Ų103110.9 Ų110.963%0.63257%0.572SS**EExtended strand (participates in β ladder)trans-107132.2175.549.90000110.4F63T53-F63 WeakPolarHBondContact CA-O 3.48Å
54G69.3Low63.7Low2 Ų2104.6 Ų104.62%0.02156%0.557CS.*EExtended strand (participates in β ladder)trans-103149.4164.800000109.5T62 F63G54-T62 VanDerWaalsContact O-CA 3.31Å; G54-T62 WeakPolarHBondContact O-CA 3.32Å; G54-F63 PolarHBondContact N-O 3.03Å; G54-F63 WeakPolarHBondContact O-CD1 3.49Å; G54-F63 PolarHBondContact O-N 3.07Å
55L67.9Low66.6Low91 Ų9197.9 Ų97.948%0.47652%0.521SS..EExtended strand (participates in β ladder)trans-105.4122.4172.7-172.170000108.3L57 T62L55-L57 HydrophobicContact CD2-CD2 3.76Å; L55-L57 HydrophobicContact CG-CD2 4.41Å; L55-L57 PolarHBondContact O-N 3.38Å; L55-T62 HydrophobicContact CD1-CG2 4.02Å
56D67Low69.5Low29 Ų2992 Ų9216%0.15549%0.494CS..EExtended strand (participates in β ladder)trans-81.2104163.6-177-12000108.2K58 A59 N60 K61 P152D56-K58 PolarHBondContact O-N 2.88Å; D56-K58 PolarHBondContact OD1-N 3.12Å; D56-A59 HydrophobicContact CB-CB 4.3Å; D56-A59 PolarHBondContact OD1-N 3.17Å; D56-A59 VanDerWaalsContact OD1-N 3.16Å; D56-A59 WeakPolarHBondContact OD2-CB 3.42Å; D56-N60 VanDerWaalsContact O-CA 3.31Å; D56-N60 WeakPolarHBondContact O-CA 3.38Å; D56-N60 PolarHBondContact O-N 3.5Å; D56-K61 WeakPolarHBondContact CB-O 3.02Å; D56-K61 PolarHBondContact N-O 3.14Å; D56-P152 HydrophobicContact CB-CG 4.02Å; D56-P152 WeakPolarHBondContact OD2-CG 3.25Å
57L61.8Low72.2Confident149 Ų14990 Ų9078%0.7847%0.472SS*.THydrogen-bonded Turntrans-64.5-23.8-179-69.3169.4000112.8L55L55-L57 HydrophobicContact CD2-CD2 3.76Å; L55-L57 HydrophobicContact CG-CD2 4.41Å; L55-L57 PolarHBondContact O-N 3.38Å
58K61.5Low74.7Confident158 Ų15886.7 Ų86.769%0.68745%0.45SS*.THydrogen-bonded Turntrans-87-40.8-178.9-70.5177-176.7159.70112D56 E151D56-K58 PolarHBondContact O-N 2.88Å; D56-K58 PolarHBondContact OD1-N 3.12Å; K58-E151 WeakPolarHBondContact CD-OE2 3.2Å; K58-E151 IonicContact NZ-OE1 3.71Å; K58-E151 PolarHBondContact NZ-OE1 2.65Å; K58-E151 IonicContact NZ-OE2 2.75Å; K58-E151 PolarHBondContact NZ-OE2 2.9Å
59A63.3Low76.9Confident50 Ų5076.8 Ų76.841%0.41341%0.414SS..THydrogen-bonded Turntrans-92.9-5.5-179.400000114.1D56 K61D56-A59 HydrophobicContact CB-CB 4.3Å; D56-A59 PolarHBondContact OD1-N 3.17Å; D56-A59 VanDerWaalsContact OD1-N 3.16Å; D56-A59 WeakPolarHBondContact OD2-CB 3.42Å; A59-K61 HydrophobicContact CB-CB 4.34Å; A59-K61 HydrophobicContact CB-CD 4.47Å; A59-K61 HydrophobicContact CB-CG 4.37Å; A59-K61 PolarHBondContact O-N 3.43Å
60N63.9Low78.7Confident139 Ų13976.9 Ų76.974%0.74342%0.415SS*.THydrogen-bonded Turntrans49.236.8-171.2-158.727.3000112.6D56D56-N60 VanDerWaalsContact O-CA 3.31Å; D56-N60 WeakPolarHBondContact O-CA 3.38Å; D56-N60 PolarHBondContact O-N 3.5Å
61K70.9Confident80Confident148 Ų14871.8 Ų71.864%0.64338%0.384SS*.EExtended strand (participates in β ladder)trans-113.1136.5179.8-78-178.1-179.2178.40109.9D56 A59D56-K61 WeakPolarHBondContact CB-O 3.02Å; D56-K61 PolarHBondContact N-O 3.14Å; A59-K61 HydrophobicContact CB-CB 4.34Å; A59-K61 HydrophobicContact CB-CD 4.47Å; A59-K61 HydrophobicContact CB-CG 4.37Å; A59-K61 PolarHBondContact O-N 3.43Å
62T73.2Confident81.1Confident108 Ų10868 Ų6866%0.66336%0.361SS*.EExtended strand (participates in β ladder)trans-84.3138.4168.849.80000109.3G54 L55G54-T62 VanDerWaalsContact O-CA 3.31Å; G54-T62 WeakPolarHBondContact O-CA 3.32Å; L55-T62 HydrophobicContact CD1-CG2 4.02Å
63F79.8Confident81.9Confident49 Ų4963.8 Ų63.822%0.21535%0.345CS..EExtended strand (participates in β ladder)trans-127.3140.8173.968.4-88.3000109.6T53 G54 Y65 V147 P152T53-F63 WeakPolarHBondContact CA-O 3.48Å; G54-F63 PolarHBondContact N-O 3.03Å; G54-F63 WeakPolarHBondContact O-CD1 3.49Å; G54-F63 PolarHBondContact O-N 3.07Å; F63-Y65 HydrophobicContact CD2-CD1 4.47Å; F63-Y65 HydrophobicContact CE2-CD1 4.1Å; F63-V147 HydrophobicContact CE2-CG1 3.26Å; F63-V147 HydrophobicContact CZ-CG1 3.35Å; F63-P152 HydrophobicContact CD1-CB 4.06Å; F63-P152 HydrophobicContact CE1-CB 3.94Å; F63-P152 HydrophobicContact CG-CB 4.43Å; F63-P152 HydrophobicContact CZ-CB 4.21Å
64A88.4Confident83Confident66 Ų6658.9 Ų58.955%0.54532%0.315SS..EExtended strand (participates in β ladder)trans-92.4140.5-17800000110.6V51 R52V51-A64 HydrophobicContact CG1-CB 3.7Å; R52-A64 WeakPolarHBondContact O-CA 3.4Å
65Y95.1Very high84.4Confident3 Ų358.8 Ų58.81%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-141.9148.9172.766.3-87.4000111R52 F63 L143 E144 V147R52-Y65 HydrophobicContact CB-CD1 4.22Å; R52-Y65 HydrophobicContact CB-CD2 4.07Å; R52-Y65 HydrophobicContact CB-CE1 3.71Å; R52-Y65 HydrophobicContact CB-CE2 3.56Å; R52-Y65 HydrophobicContact CB-CG 4.38Å; R52-Y65 HydrophobicContact CG-CE2 4.17Å; R52-Y65 PolarHBondContact N-O 3.3Å; R52-Y65 PolarHBondContact O-N 3.43Å; F63-Y65 HydrophobicContact CD2-CD1 4.47Å; F63-Y65 HydrophobicContact CE2-CD1 4.1Å; Y65-L143 HydrophobicContact CD2-CB 3.96Å; Y65-L143 HydrophobicContact CD2-CD1 4.34Å; Y65-L143 HydrophobicContact CD2-CD2 4.47Å; Y65-L143 HydrophobicContact CD2-CG 4.5Å; Y65-L143 HydrophobicContact CE2-CB 3.9Å; Y65-E144 PolarHBondContact OH-OE1 2.89Å; Y65-E144 PolarHBondContact OH-OE2 3.31Å; Y65-V147 HydrophobicContact CD1-CB 4.49Å; Y65-V147 HydrophobicContact CD1-CG1 3.84Å; Y65-V147 HydrophobicContact CD1-CG2 4.15Å; Y65-V147 HydrophobicContact CD2-CB 4.5Å; Y65-V147 HydrophobicContact CD2-CG2 3.67Å; Y65-V147 HydrophobicContact CE1-CG1 3.95Å; Y65-V147 HydrophobicContact CE2-CG2 4.14Å; Y65-V147 HydrophobicContact CG-CB 4.45Å; Y65-V147 HydrophobicContact CG-CG1 4.23Å; Y65-V147 HydrophobicContact CG-CG2 3.66Å
66H96.6Very high85.9Confident56 Ų5654.5 Ų54.526%0.25929%0.291SS..  trans-160.3168-174.856.452.5000111.1T49 D68 M69T49-H66 HydrophobicContact CG2-CB 3.6Å; H66-D68 VanDerWaalsContact CE1-C 3.48Å; H66-D68 PolarHBondContact ND1-N 3.2Å; H66-D68 VanDerWaalsContact ND1-N 3.17Å; H66-D68 PolarHBondContact O-N 3.35Å; H66-D68 VanDerWaalsContact O-N 3.09Å; H66-M69 PolarHBondContact CE1-N 3.06Å; H66-M69 PolarHBondContact ND1-N 2.73Å; H66-M69 VanDerWaalsContact ND1-N 3.13Å; H66-M69 WeakPolarHBondContact O-CB 3.14Å; H66-M69 VanDerWaalsContact O-CG 3.23Å; H66-M69 WeakPolarHBondContact O-CG 3.03Å; H66-M69 PolarHBondContact O-N 2.56Å; H66-M69 VanDerWaalsContact O-N 3.1Å
67K96.3Very high87.4Confident67 Ų6753.1 Ų53.129%0.29128%0.284SS..THydrogen-bonded Turntrans-58.7-25.9-177.267.6168.5-175.872.40115.1M69 Q139 F174K67-M69 VanDerWaalsContact C-N 3.31Å; K67-M69 PolarHBondContact O-N 3.07Å; K67-Q139 HydrophobicContact CB-CG 4.35Å; K67-F174 HydrophobicContact CB-CD1 4.23Å; K67-F174 HydrophobicContact CB-CE1 4.39Å; K67-F174 WeakPolarHBondContact O-CD1 3.31Å
68D97.6Very high89.2Confident35 Ų3546.9 Ų46.919%0.18725%0.252CS..THydrogen-bonded Turntrans-89.47.6-177.6-53.5-48.5000113T49 H66 N176T49-D68 WeakPolarHBondContact CG2-OD2 3.43Å; T49-D68 PolarHBondContact OG1-OD2 3.21Å; H66-D68 VanDerWaalsContact CE1-C 3.48Å; H66-D68 PolarHBondContact ND1-N 3.2Å; H66-D68 VanDerWaalsContact ND1-N 3.17Å; H66-D68 PolarHBondContact O-N 3.35Å; H66-D68 VanDerWaalsContact O-N 3.09Å; D68-N176 WeakPolarHBondContact O-CB 3.28Å; D68-N176 PolarHBondContact O-ND2 3.49Å
69M97.4Very high90.9Very high21 Ų2140.3 Ų40.310%0.10322%0.223CC..SBendtrans-74.1152.6179.676.8-175.3-67.200111.2H66 K67 L71 L143 L156H66-M69 PolarHBondContact CE1-N 3.06Å; H66-M69 PolarHBondContact ND1-N 2.73Å; H66-M69 VanDerWaalsContact ND1-N 3.13Å; H66-M69 WeakPolarHBondContact O-CB 3.14Å; H66-M69 VanDerWaalsContact O-CG 3.23Å; H66-M69 WeakPolarHBondContact O-CG 3.03Å; H66-M69 PolarHBondContact O-N 2.56Å; H66-M69 VanDerWaalsContact O-N 3.1Å; K67-M69 VanDerWaalsContact C-N 3.31Å; K67-M69 PolarHBondContact O-N 3.07Å; M69-L71 HydrophobicContact CE-CD2 4.27Å; M69-L71 HydrophobicContact CG-CD2 3.87Å; M69-L71 HydrophobicContact CG-CG 3.87Å; M69-L71 PolarHBondContact O-N 3.31Å; M69-L71 HydrophobicContact SD-CD2 3.95Å; M69-L143 HydrophobicContact SD-CD2 4Å; M69-L156 HydrophobicContact CE-CB 4.24Å; M69-L156 HydrophobicContact CE-CD1 3.63Å; M69-L156 HydrophobicContact CE-CG 3.93Å; M69-L156 HydrophobicContact SD-CD1 4.46Å
70P98.1Very high92.6Very high57 Ų5738 Ų3837%0.3720%0.204SC..  trans-75.791.5-179.331.1-34.6000111Y155P70-Y155 HydrophobicContact CG-CD1 4.19Å; P70-Y155 HydrophobicContact CG-CE1 4.39Å
71L98.8Very high94.3Very high2 Ų232 Ų321%0.0118%0.175CC..  trans-86.9148175-66177.1000112.1M69 F73 L143 I146 L156 F174 A177 K178M69-L71 HydrophobicContact CE-CD2 4.27Å; M69-L71 HydrophobicContact CG-CD2 3.87Å; M69-L71 HydrophobicContact CG-CG 3.87Å; M69-L71 PolarHBondContact O-N 3.31Å; M69-L71 HydrophobicContact SD-CD2 3.95Å; L71-F73 HydrophobicContact CB-CD2 4.26Å; L71-F73 HydrophobicContact CB-CE2 3.68Å; L71-F73 HydrophobicContact CB-CZ 4.38Å; L71-F73 HydrophobicContact CD1-CE2 3.88Å; L71-F73 HydrophobicContact CD1-CZ 3.9Å; L71-F73 HydrophobicContact CG-CE2 4.45Å; L71-L143 HydrophobicContact CD1-CD2 4.05Å; L71-I146 HydrophobicContact CD1-CD1 4.26Å; L71-I146 HydrophobicContact CD2-CG2 4.12Å; L71-L156 WeakPolarHBondContact CA-O 3.37Å; L71-L156 HydrophobicContact CD2-CB 3.84Å; L71-F174 HydrophobicContact CD1-CB 4.32Å; L71-F174 HydrophobicContact CD1-CD1 3.87Å; L71-F174 HydrophobicContact CD1-CD2 4.04Å; L71-F174 HydrophobicContact CD1-CE1 4.16Å; L71-F174 HydrophobicContact CD1-CE2 4.31Å; L71-F174 HydrophobicContact CD1-CG 3.81Å; L71-F174 HydrophobicContact CD1-CZ 4.36Å; L71-A177 HydrophobicContact CB-CB 4.05Å; L71-A177 CarbonylContact O-C 3.54Å; L71-A177 WeakPolarHBondContact O-CA 3.41Å; L71-K178 PolarHBondContact O-N 2.83Å
72I98.9Very high95.6Very high6 Ų625.2 Ų25.23%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-112.1124.3171.2-54.7159.5000108.6I74 L89 I95 L156 C157 N158 K178 L180 L257 I259I72-I74 HydrophobicContact CG2-CG1 4.16Å; I72-L89 HydrophobicContact CG2-CD1 4.41Å; I72-I95 HydrophobicContact CD1-CG2 4.05Å; I72-L156 PolarHBondContact N-O 3.2Å; I72-C157 HydrophobicContact CB-CB 3.92Å; I72-C157 HydrophobicContact CD1-CB 4.39Å; I72-C157 CarbonylContact O-C 3.48Å; I72-C157 WeakPolarHBondContact O-CA 3.48Å; I72-N158 PolarHBondContact O-N 2.77Å; I72-K178 WeakPolarHBondContact CA-O 3.46Å; I72-L180 HydrophobicContact CG2-CD1 4.03Å; I72-L180 HydrophobicContact CG2-CG 4.41Å; I72-L257 HydrophobicContact CD1-CD1 3.82Å; I72-L257 HydrophobicContact CG1-CD1 4.24Å; I72-L257 HydrophobicContact CG1-CD2 4.14Å; I72-L257 HydrophobicContact CG2-CD1 4.39Å; I72-L257 HydrophobicContact CG2-CD2 4.28Å; I72-I259 HydrophobicContact CD1-CD1 3.94Å
73F98.9Very high96.8Very high1 Ų120.2 Ų20.20%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-112.5123.3173.4-70.5-88.1000110.5L71 I146 N158 L164 L170 F174 A177 K178 F179 L180L71-F73 HydrophobicContact CB-CD2 4.26Å; L71-F73 HydrophobicContact CB-CE2 3.68Å; L71-F73 HydrophobicContact CB-CZ 4.38Å; L71-F73 HydrophobicContact CD1-CE2 3.88Å; L71-F73 HydrophobicContact CD1-CZ 3.9Å; L71-F73 HydrophobicContact CG-CE2 4.45Å; F73-I146 HydrophobicContact CE1-CD1 3.83Å; F73-I146 HydrophobicContact CZ-CD1 3.79Å; F73-N158 WeakPolarHBondContact CA-O 3.41Å; F73-N158 HydrophobicContact CD1-CB 4.06Å; F73-N158 HydrophobicContact CE1-CB 4.14Å; F73-L164 HydrophobicContact CB-CD1 4.19Å; F73-L170 HydrophobicContact CD1-CD1 4.09Å; F73-L170 HydrophobicContact CE1-CD1 4.25Å; F73-L170 HydrophobicContact CE1-CD2 4.15Å; F73-L170 HydrophobicContact CG-CD1 4.44Å; F73-L170 HydrophobicContact CZ-CD2 4.15Å; F73-F174 AromaticContact CE2-CD2 3.98Å; F73-F174 HydrophobicContact CE2-CD2 3.98Å; F73-F174 AromaticContact CZ-CD2 3.86Å; F73-F174 HydrophobicContact CZ-CD2 3.86Å; F73-F174 HydrophobicContact CZ-CE2 4.04Å; F73-A177 HydrophobicContact CD2-CB 3.99Å; F73-A177 HydrophobicContact CE2-CB 3.89Å; F73-K178 PolarHBondContact N-O 3.47Å; F73-F179 HydrophobicContact CB-CD1 3.56Å; F73-F179 HydrophobicContact CB-CE1 3.75Å; F73-F179 HydrophobicContact CD2-CD1 4.3Å; F73-F179 AromaticContact CD2-CE1 3.71Å; F73-F179 HydrophobicContact CD2-CE1 3.71Å; F73-F179 HydrophobicContact CD2-CZ 4.17Å; F73-F179 HydrophobicContact CG-CD1 4.23Å; F73-F179 AromaticContact CG-CE1 3.9Å; F73-F179 HydrophobicContact CG-CE1 3.9Å; F73-F179 CarbonylContact O-C 3.57Å; F73-F179 WeakPolarHBondContact O-CA 3.37Å; F73-L180 PolarHBondContact O-N 3.09Å
74I98.9Very high97.7Very high0 Ų019 Ų190%011%0.111CC..EExtended strand (participates in β ladder)trans-110.8131.5178.3-48.1179.3000108.6I72 M85 R86 L89 N158 K159 D160 L180 M182I72-I74 HydrophobicContact CG2-CG1 4.16Å; I74-M85 HydrophobicContact CD1-CG 4.15Å; I74-M85 HydrophobicContact CG2-CB 4.22Å; I74-M85 HydrophobicContact CG2-CG 3.98Å; I74-R86 HydrophobicContact CD1-CB 3.73Å; I74-L89 HydrophobicContact CD1-CD1 3.71Å; I74-N158 PolarHBondContact N-O 3.28Å; I74-K159 HydrophobicContact CB-CB 4.09Å; I74-K159 HydrophobicContact CB-CG 3.98Å; I74-K159 HydrophobicContact CG2-CG 4.14Å; I74-K159 WeakPolarHBondContact O-CA 3.27Å; I74-D160 PolarHBondContact O-N 3.4Å; I74-L180 HydrophobicContact CD1-CD1 4.34Å; I74-L180 HydrophobicContact CG1-CB 4.3Å; I74-L180 HydrophobicContact CG1-CD1 4.12Å; I74-L180 HydrophobicContact CG2-CB 4.44Å; I74-M182 HydrophobicContact CG2-CG 4.12Å
75G98.9Very high98.2Very high0 Ų015.9 Ų15.90%09%0.085CC..EExtended strand (participates in β ladder)trans-161.2-155173.600000112.8T82 P161 L180 M182G75-T82 WeakPolarHBondContact O-CG2 3.34Å; G75-P161 WeakPolarHBondContact CA-O 3.05Å; G75-L180 PolarHBondContact N-O 2.85Å; G75-L180 VanDerWaalsContact N-O 3.09Å; G75-M182 VanDerWaalsContact O-CB 3.27Å; G75-M182 WeakPolarHBondContact O-CB 3.49Å; G75-M182 PolarHBondContact O-N 3.09Å
76G98.8Very high98.4Very high0 Ų015.7 Ų15.70%09%0.085CC..EExtended strand (participates in β ladder)trans125.6178.4-166.900000110P161 M222G76-P161 PolarHBondContact N-O 3.42Å; G76-P161 CarbonylContact O-C 3.09Å; G76-P161 VanDerWaalsContact O-C 3.31Å; G76-P161 WeakPolarHBondContact O-CA 3.41Å; G76-P161 WeakPolarHBondContact O-CB 3.25Å; G76-M222 VanDerWaalsContact C-CE 3.5Å
77V98.7Very high98.5Very high0 Ų013 Ų130%07%0.072CC..SBendtrans-66.3136.7178.4-174.30000108.3S80 M193 A218 I219 M222V77-S80 WeakPolarHBondContact O-CB 3.39Å; V77-S80 PolarHBondContact O-N 3.15Å; V77-S80 PolarHBondContact O-OG 3.07Å; V77-M193 HydrophobicContact CG1-CE 4.47Å; V77-A218 HydrophobicContact CG2-CB 3.93Å; V77-I219 HydrophobicContact CG2-CB 3.97Å; V77-I219 HydrophobicContact CG2-CD1 4.47Å; V77-M222 HydrophobicContact CB-CE 4.38Å; V77-M222 HydrophobicContact CG2-CE 3.49Å; V77-M222 VanDerWaalsContact CG2-CE 3.49Å
78P98.6Very high98.6Very high19 Ų199.9 Ų9.912%0.1236%0.058CC..THydrogen-bonded Turntrans-48149.7173.1-28.233.8000111.7S80 P161 F162 I200P78-S80 VanDerWaalsContact C-N 3.29Å; P78-S80 PolarHBondContact O-N 3.08Å; P78-P161 HydrophobicContact CG-CB 3.8Å; P78-P161 HydrophobicContact CG-CG 4.2Å; P78-F162 VanDerWaalsContact CD-CE1 3.48Å; P78-F162 HydrophobicContact CG-CE1 4.41Å; P78-F162 HydrophobicContact CG-CE2 3.98Å; P78-F162 HydrophobicContact CG-CZ 3.89Å; P78-I200 HydrophobicContact CB-CD1 3.79Å; P78-I200 HydrophobicContact CG-CD1 3.88Å; P78-I200 HydrophobicContact CG-CG1 4.41Å
79R98.4Very high98.7Very high20 Ų208.2 Ų8.28%0.0755%0.049CC..THydrogen-bonded Turntrans7310.9-174.5-39.6-49.7-60.6146.83.9115.8R184 S189 S192 M193 S286R79-R184 WeakPolarHBondContact O-CD 3.49Å; R79-R184 PolarHBondContact O-NH1 3.47Å; R79-S189 PolarHBondContact O-OG 2.6Å; R79-S192 PolarHBondContact NE-OG 2.86Å; R79-S192 PolarHBondContact NH2-OG 3.34Å; R79-M193 HydrophobicContact CG-CB 3.92Å; R79-S286 PolarHBondContact NH1-OG 3.05Å
80S98.8Very high98.8Very high1 Ų17.3 Ų7.31%0.0075%0.045CC..SBendtrans-95.519.6176.3-48.60000114.4V77 P78 S189V77-S80 WeakPolarHBondContact O-CB 3.39Å; V77-S80 PolarHBondContact O-N 3.15Å; V77-S80 PolarHBondContact O-OG 3.07Å; P78-S80 VanDerWaalsContact C-N 3.29Å; P78-S80 PolarHBondContact O-N 3.08Å; S80-S189 PolarHBondContact OG-OG 3.13Å; S80-S189 VanDerWaalsContact OG-OG 3.05Å
81G98.5Very high98.8Very high14 Ų144.6 Ų4.614%0.1443%0.027CC..SBendtrans84.914178.400000115.8T83 L84 M85G81-T83 PolarHBondContact O-N 3.41Å; G81-L84 WeakPolarHBondContact O-CB 3.36Å; G81-L84 PolarHBondContact O-N 3.24Å; G81-L84 VanDerWaalsContact O-N 3.11Å; G81-M85 PolarHBondContact O-N 2.9Å
82T98.8Very high98.8Very high4 Ų44.6 Ų4.63%0.0253%0.027CC..Hα-helixtrans-59.9-38.9-179.855.20000113.8G75 M85 R86 M182G75-T82 WeakPolarHBondContact O-CG2 3.34Å; T82-M85 PolarHBondContact O-N 3.28Å; T82-R86 PolarHBondContact O-N 3.28Å; T82-M182 HydrophobicContact CG2-CB 3.77Å; T82-M182 HydrophobicContact CG2-CG 3.69Å
83T98.8Very high98.8Very high3 Ų37.5 Ų7.52%0.0185%0.047CC..Hα-helixtrans-68.3-34.2174.8-51.90000112.3G81 R86 A87 K159 S286 V290G81-T83 PolarHBondContact O-N 3.41Å; T83-R86 WeakPolarHBondContact O-CG 3.49Å; T83-A87 VanDerWaalsContact O-CB 3.25Å; T83-A87 WeakPolarHBondContact O-CB 3.36Å; T83-A87 PolarHBondContact O-N 3.47Å; T83-K159 PolarHBondContact OG1-NZ 2.88Å; T83-S286 WeakPolarHBondContact OG1-CB 3.47Å; T83-S286 PolarHBondContact OG1-OG 3.34Å; T83-V290 HydrophobicContact CG2-CB 4.27Å; T83-V290 HydrophobicContact CG2-CG1 4.14Å; T83-V290 HydrophobicContact CG2-CG2 4.31Å
84L98.9Very high98.7Very high24 Ų2410.3 Ų10.313%0.1266%0.062CC..Hα-helixtrans-65.9-48.3174.2177.463000110.4G81 R86 A87 M88 Y239 V243 H268 V290 V294G81-L84 WeakPolarHBondContact O-CB 3.36Å; G81-L84 PolarHBondContact O-N 3.24Å; G81-L84 VanDerWaalsContact O-N 3.11Å; L84-R86 PolarHBondContact O-N 3.12Å; L84-A87 PolarHBondContact O-N 3.44Å; L84-A87 VanDerWaalsContact O-N 3.14Å; L84-M88 HydrophobicContact CD1-CG 4.2Å; L84-M88 HydrophobicContact CD1-SD 4.21Å; L84-M88 HydrophobicContact CG-CG 4.46Å; L84-M88 HydrophobicContact CG-SD 4.03Å; L84-M88 WeakPolarHBondContact O-CG 3.41Å; L84-M88 PolarHBondContact O-N 3.42Å; L84-Y239 HydrophobicContact CD2-CE2 4.26Å; L84-V243 HydrophobicContact CD2-CG1 3.76Å; L84-H268 WeakPolarHBondContact CD1-NE2 3.36Å; L84-V290 HydrophobicContact CD1-CG2 4.44Å; L84-V294 HydrophobicContact CD1-CG2 4.28Å
85M98.9Very high98.7Very high0 Ų010.5 Ų10.50%06%0.063CC..Hα-helixtrans-56.3-48.6178.7-174.867.6-103.900112I74 G81 T82 A87 M88 L89 L180 M182 V237 L242 M250 L253I74-M85 HydrophobicContact CD1-CG 4.15Å; I74-M85 HydrophobicContact CG2-CB 4.22Å; I74-M85 HydrophobicContact CG2-CG 3.98Å; G81-M85 PolarHBondContact O-N 2.9Å; T82-M85 PolarHBondContact O-N 3.28Å; M85-A87 VanDerWaalsContact C-N 3.33Å; M85-A87 PolarHBondContact O-N 3.45Å; M85-M88 PolarHBondContact O-N 3.34Å; M85-L89 HydrophobicContact CE-CD1 4.08Å; M85-L89 HydrophobicContact CE-CD2 4.24Å; M85-L89 HydrophobicContact CE-CG 3.78Å; M85-L89 PolarHBondContact O-N 3.15Å; M85-L180 HydrophobicContact CG-CD1 4.49Å; M85-M182 HydrophobicContact CB-CE 4.13Å; M85-M182 HydrophobicContact CB-CG 4.25Å; M85-M182 HydrophobicContact CB-SD 3.56Å; M85-M182 VanDerWaalsContact CB-SD 3.56Å; M85-M182 HydrophobicContact CG-CG 4.48Å; M85-M182 HydrophobicContact CG-SD 3.53Å; M85-M182 VanDerWaalsContact CG-SD 3.53Å; M85-M182 HydrophobicContact SD-SD 3.96Å; M85-V237 HydrophobicContact SD-CG1 4.19Å; M85-L242 HydrophobicContact SD-CD2 3.99Å; M85-M250 HydrophobicContact CE-CE 3.8Å; M85-M250 HydrophobicContact CE-SD 3.6Å; M85-M250 VanDerWaalsContact CE-SD 3.6Å; M85-L253 HydrophobicContact CE-CD1 3.36Å; M85-L253 HydrophobicContact CE-CD2 4.23Å; M85-L253 HydrophobicContact CE-CG 4.45Å; M85-L253 HydrophobicContact SD-CD1 3.49Å; M85-L253 WeakPolarHBondContact SD-CD1 3.38Å
86R98.8Very high98.7Very high0 Ų011.4 Ų11.40%07%0.066CC..Hα-helixtrans-66.9-34.6178.677.782.5175.4174.9-8.9112.3I74 T82 T83 L84 L89 D90 C97 G98 K159 S279 L280I74-R86 HydrophobicContact CD1-CB 3.73Å; T82-R86 PolarHBondContact O-N 3.28Å; T83-R86 WeakPolarHBondContact O-CG 3.49Å; L84-R86 PolarHBondContact O-N 3.12Å; R86-L89 PolarHBondContact O-N 3.07Å; R86-D90 WeakPolarHBondContact CD-OD2 3.17Å; R86-D90 IonicContact CZ-OD2 3.91Å; R86-D90 IonicContact NE-OD2 2.73Å; R86-D90 IonicContact NH1-OD2 3.25Å; R86-D90 PolarHBondContact NH1-OD2 2.96Å; R86-D90 WeakPolarHBondContact O-CB 3.44Å; R86-D90 PolarHBondContact O-N 3.46Å; R86-C97 HydrophobicContact CB-CB 3.9Å; R86-G98 VanDerWaalsContact CD-O 3.3Å; R86-G98 WeakPolarHBondContact CD-O 3.4Å; R86-G98 VanDerWaalsContact CZ-O 3.22Å; R86-G98 PolarHBondContact NE-O 3.49Å; R86-G98 PolarHBondContact NH1-O 3.47Å; R86-K159 HydrophobicContact CB-CB 3.83Å; R86-K159 HydrophobicContact CB-CG 4.04Å; R86-K159 HydrophobicContact CG-CB 3.99Å; R86-K159 HydrophobicContact CG-CG 4.02Å; R86-S279 VanDerWaalsContact CZ-O 3.27Å; R86-S279 PolarHBondContact NH1-O 3.48Å; R86-S279 PolarHBondContact NH2-O 3.32Å; R86-L280 VanDerWaalsContact NH2-CD2 3.27Å
87A98.9Very high98.7Very high0 Ų011.4 Ų11.40%07%0.066CC..Hα-helixtrans-69.4-38.3179.100000111.9T83 L84 M85 L89 D90 A91 V278 V290T83-A87 VanDerWaalsContact O-CB 3.25Å; T83-A87 WeakPolarHBondContact O-CB 3.36Å; T83-A87 PolarHBondContact O-N 3.47Å; L84-A87 PolarHBondContact O-N 3.44Å; L84-A87 VanDerWaalsContact O-N 3.14Å; M85-A87 VanDerWaalsContact C-N 3.33Å; M85-A87 PolarHBondContact O-N 3.45Å; A87-L89 PolarHBondContact O-N 3.11Å; A87-D90 PolarHBondContact O-N 2.83Å; A87-A91 PolarHBondContact O-N 2.89Å; A87-V278 HydrophobicContact CB-CG1 3.77Å; A87-V278 HydrophobicContact CB-CG2 4.48Å; A87-V278 WeakPolarHBondContact O-CG2 3.42Å; A87-V290 HydrophobicContact CB-CG2 3.42Å; A87-V290 VanDerWaalsContact CB-CG2 3.42Å
88M98.9Very high98.7Very high0 Ų011.5 Ų11.50%07%0.067CC..Hα-helixtrans-62.7-33.6172.2-67175.578.200111.9L84 M85 L242 P246 M250 V265 L266 V294L84-M88 HydrophobicContact CD1-CG 4.2Å; L84-M88 HydrophobicContact CD1-SD 4.21Å; L84-M88 HydrophobicContact CG-CG 4.46Å; L84-M88 HydrophobicContact CG-SD 4.03Å; L84-M88 WeakPolarHBondContact O-CG 3.41Å; L84-M88 PolarHBondContact O-N 3.42Å; M85-M88 PolarHBondContact O-N 3.34Å; M88-L242 HydrophobicContact CE-CD1 4.13Å; M88-L242 HydrophobicContact SD-CD1 4.09Å; M88-L242 HydrophobicContact SD-CD2 4.21Å; M88-L242 HydrophobicContact SD-CG 4.31Å; M88-P246 HydrophobicContact CE-CB 3.92Å; M88-M250 HydrophobicContact CB-CE 4.04Å; M88-M250 HydrophobicContact CB-SD 4.21Å; M88-M250 HydrophobicContact CE-CG 3.41Å; M88-M250 VanDerWaalsContact CE-CG 3.41Å; M88-M250 HydrophobicContact CE-SD 3.66Å; M88-M250 HydrophobicContact SD-SD 4.28Å; M88-V265 WeakPolarHBondContact CE-O 3.48Å; M88-V265 WeakPolarHBondContact O-CA 3.25Å; M88-V265 WeakPolarHBondContact O-CB 3.29Å; M88-V265 WeakPolarHBondContact O-CG1 3.39Å; M88-L266 HydrophobicContact CE-CD2 4.47Å; M88-V294 HydrophobicContact CE-CG2 4.07Å; M88-V294 HydrophobicContact SD-CG2 4.07Å
89L98.9Very high98.7Very high0 Ų012.6 Ų12.60%07%0.071CC..Hα-helixtrans-76.6-42.3173.2-69.2-179.9000113.2I72 I74 M85 R86 A87 A91 H92 I95 L180 M250 L253 L254 L257I72-L89 HydrophobicContact CG2-CD1 4.41Å; I74-L89 HydrophobicContact CD1-CD1 3.71Å; M85-L89 HydrophobicContact CE-CD1 4.08Å; M85-L89 HydrophobicContact CE-CD2 4.24Å; M85-L89 HydrophobicContact CE-CG 3.78Å; M85-L89 PolarHBondContact O-N 3.15Å; R86-L89 PolarHBondContact O-N 3.07Å; A87-L89 PolarHBondContact O-N 3.11Å; L89-A91 PolarHBondContact O-N 3.44Å; L89-A91 VanDerWaalsContact O-N 3.14Å; L89-H92 WeakPolarHBondContact O-CB 3.25Å; L89-H92 PolarHBondContact O-N 3.03Å; L89-I95 HydrophobicContact CB-CD1 4.43Å; L89-I95 HydrophobicContact CB-CG2 4.14Å; L89-I95 HydrophobicContact CD2-CD1 3.86Å; L89-I95 WeakPolarHBondContact O-CB 3.33Å; L89-L180 HydrophobicContact CD1-CD1 3.83Å; L89-M250 HydrophobicContact CD2-CE 3.74Å; L89-M250 HydrophobicContact CG-CE 4.4Å; L89-L253 HydrophobicContact CD1-CD2 4.43Å; L89-L253 HydrophobicContact CD2-CD2 3.75Å; L89-L254 HydrophobicContact CD2-CD2 4.06Å; L89-L257 HydrophobicContact CD1-CD1 4.39Å; L89-L257 HydrophobicContact CD2-CD1 4.38Å
90D98.8Very high98.7Very high2 Ų214 Ų141%0.0118%0.078CC..Hα-helixtrans-58.2-23.6173.7-83.1-41.8000112.6R86 A87 H92 C97 G98 G277 V278R86-D90 WeakPolarHBondContact CD-OD2 3.17Å; R86-D90 IonicContact CZ-OD2 3.91Å; R86-D90 IonicContact NE-OD2 2.73Å; R86-D90 IonicContact NH1-OD2 3.25Å; R86-D90 PolarHBondContact NH1-OD2 2.96Å; R86-D90 WeakPolarHBondContact O-CB 3.44Å; R86-D90 PolarHBondContact O-N 3.46Å; A87-D90 PolarHBondContact O-N 2.83Å; D90-H92 VanDerWaalsContact C-N 3.25Å; D90-H92 PolarHBondContact O-N 3.06Å; D90-C97 WeakPolarHBondContact OD1-CA 3.4Å; D90-C97 WeakPolarHBondContact OD1-CB 3.29Å; D90-C97 PolarHBondContact OD1-N 2.76Å; D90-G98 PolarHBondContact OD1-N 2.98Å; D90-G98 PolarHBondContact OD2-N 2.89Å; D90-G277 CarbonylContact O-C 3.6Å; D90-G277 WeakPolarHBondContact O-CA 3.41Å; D90-V278 HydrophobicContact CB-CB 4.25Å; D90-V278 HydrophobicContact CB-CG1 4.34Å; D90-V278 HydrophobicContact CB-CG2 3.88Å
91A98.8Very high98.7Very high0 Ų015 Ų150%08%0.084CC..THydrogen-bonded Turntrans-73.3-17.817400000112.9A87 L89 S264 H268 M271 V278A87-A91 PolarHBondContact O-N 2.89Å; L89-A91 PolarHBondContact O-N 3.44Å; L89-A91 VanDerWaalsContact O-N 3.14Å; A91-S264 WeakPolarHBondContact CB-O 3.28Å; A91-S264 WeakPolarHBondContact O-CB 3.31Å; A91-S264 PolarHBondContact O-OG 3.39Å; A91-H268 HydrophobicContact CB-CB 3.93Å; A91-M271 HydrophobicContact CB-CB 4.13Å; A91-M271 HydrophobicContact CB-CG 4.02Å; A91-V278 HydrophobicContact CB-CG2 4.25Å
92H98.8Very high98.7Very high2 Ų221.1 Ų21.11%0.00910%0.103CC..SBendtrans-73.8128.3173.7-167.6-73.8000109.5L89 D90 D94 I95 P260 N262 V265L89-H92 WeakPolarHBondContact O-CB 3.25Å; L89-H92 PolarHBondContact O-N 3.03Å; D90-H92 VanDerWaalsContact C-N 3.25Å; D90-H92 PolarHBondContact O-N 3.06Å; H92-D94 IonicContact CE1-OD2 2.78Å; H92-D94 PolarHBondContact CE1-OD2 3.34Å; H92-D94 PolarHBondContact ND1-N 3.25Å; H92-D94 VanDerWaalsContact ND1-N 3.18Å; H92-D94 IonicContact ND1-OD2 3.54Å; H92-D94 PolarHBondContact O-N 2.66Å; H92-I95 HydrophobicContact CB-CB 4.14Å; H92-I95 HydrophobicContact CB-CD1 3.77Å; H92-I95 HydrophobicContact CB-CG1 3.87Å; H92-I95 PolarHBondContact O-N 2.96Å; H92-P260 PolarHBondContact NE2-O 3.04Å; H92-N262 VanDerWaalsContact CD2-CB 3.41Å; H92-N262 WeakPolarHBondContact CD2-CB 3.32Å; H92-N262 WeakPolarHBondContact NE2-CB 3.23Å; H92-V265 HydrophobicContact CB-CG1 3.88Å
93P98.3Very high98.7Very high67 Ų6723.5 Ų23.544%0.43512%0.117SC..THydrogen-bonded Turntrans-60.6-25.5-172.824.5-35.6000114.1N262P93-N262 WeakPolarHBondContact CD-ND2 3.45Å; P93-N262 WeakPolarHBondContact CG-ND2 3.42Å
94D98.5Very high98.7Very high60 Ų6023.3 Ų23.332%0.32112%0.116SC..THydrogen-bonded Turntrans-95.4-1.2-179-55.3-41000114.8H92 P154 Y155H92-D94 IonicContact CE1-OD2 2.78Å; H92-D94 PolarHBondContact CE1-OD2 3.34Å; H92-D94 PolarHBondContact ND1-N 3.25Å; H92-D94 VanDerWaalsContact ND1-N 3.18Å; H92-D94 IonicContact ND1-OD2 3.54Å; H92-D94 PolarHBondContact O-N 2.66Å; D94-P154 HydrophobicContact CB-CB 4.16Å; D94-P154 HydrophobicContact CB-CG 3.95Å; D94-P154 WeakPolarHBondContact O-CD 3.11Å; D94-Y155 HydrophobicContact CB-CD2 3.87Å; D94-Y155 HydrophobicContact CB-CE2 4.13Å; D94-Y155 WeakPolarHBondContact O-CD2 3.39Å; D94-Y155 PolarHBondContact O-N 2.94Å
95I98.8Very high98.6Very high5 Ų523.7 Ų23.73%0.02612%0.12CC..EExtended strand (participates in β ladder)trans-119.7131.9-175.1-49.6175.4000110.4I72 L89 H92 Y155 C157 L254 I259I72-I95 HydrophobicContact CD1-CG2 4.05Å; L89-I95 HydrophobicContact CB-CD1 4.43Å; L89-I95 HydrophobicContact CB-CG2 4.14Å; L89-I95 HydrophobicContact CD2-CD1 3.86Å; L89-I95 WeakPolarHBondContact O-CB 3.33Å; H92-I95 HydrophobicContact CB-CB 4.14Å; H92-I95 HydrophobicContact CB-CD1 3.77Å; H92-I95 HydrophobicContact CB-CG1 3.87Å; H92-I95 PolarHBondContact O-N 2.96Å; I95-Y155 WeakPolarHBondContact CA-O 3.32Å; I95-Y155 HydrophobicContact CG1-CD2 4.33Å; I95-C157 HydrophobicContact CG2-CB 4.22Å; I95-L254 HydrophobicContact CD1-CD2 4Å; I95-I259 HydrophobicContact CD1-CD1 3.67Å; I95-I259 HydrophobicContact CD1-CG2 4.2Å; I95-I259 HydrophobicContact CG1-CD1 4Å; I95-I259 HydrophobicContact CG1-CG2 4.46Å
96R98.6Very high98.6Very high19 Ų1931.2 Ų31.27%0.07215%0.148CC..EExtended strand (participates in β ladder)trans-127.1117.7168.4-169.5-81.8-66.2167-5.9111.1I146 V147 H149 E151 A153 Y155 C157R96-I146 VanDerWaalsContact CZ-O 3.23Å; R96-I146 PolarHBondContact NH1-O 2.94Å; R96-I146 PolarHBondContact NH2-O 2.9Å; R96-V147 PolarHBondContact NH2-O 3.15Å; R96-H149 PolarHBondContact NH1-CE1 2.82Å; R96-H149 VanDerWaalsContact NH1-CE1 3.34Å; R96-H149 PolarHBondContact NH1-NE2 3.3Å; R96-H149 VanDerWaalsContact NH1-NE2 3.15Å; R96-E151 PolarHBondContact NE-O 2.99Å; R96-E151 PolarHBondContact NH2-O 2.79Å; R96-A153 HydrophobicContact CB-CB 3.54Å; R96-Y155 PolarHBondContact N-O 3.33Å; R96-C157 WeakPolarHBondContact O-CB 3.49Å; R96-C157 PolarHBondContact O-N 2.96Å
97C98.7Very high98.6Very high0 Ų033 Ų330%016%0.157CC..  trans-93.4-63.1166-61.20000111.1R86 D90 H149 C157R86-C97 HydrophobicContact CB-CB 3.9Å; D90-C97 WeakPolarHBondContact OD1-CA 3.4Å; D90-C97 WeakPolarHBondContact OD1-CB 3.29Å; D90-C97 PolarHBondContact OD1-N 2.76Å; C97-H149 PolarHBondContact O-CE1 3.4Å; C97-H149 VanDerWaalsContact O-CE1 3.25Å; C97-C157 WeakPolarHBondContact CA-O 3.34Å; C97-C157 HydrophobicContact CB-CB 3.67Å; C97-C157 WeakPolarHBondContact CB-SG 3.15Å; C97-C157 WeakPolarHBondContact SG-CB 3.4Å; C97-C157 CovalentContact SG-SG 2.03Å; C97-C157 PolarHBondContact SG-SG 2.96Å
98G98.1Very high98.6Very high2 Ų233 Ų332%0.02116%0.158CC..  trans78.8-159.5-171.500000114.6R86 D90R86-G98 VanDerWaalsContact CD-O 3.3Å; R86-G98 WeakPolarHBondContact CD-O 3.4Å; R86-G98 VanDerWaalsContact CZ-O 3.22Å; R86-G98 PolarHBondContact NE-O 3.49Å; R86-G98 PolarHBondContact NH1-O 3.47Å; D90-G98 PolarHBondContact OD1-N 2.98Å; D90-G98 PolarHBondContact OD2-N 2.89Å
99E98.6Very high98.6Very high42 Ų4235.2 Ų35.220%0.19618%0.176CC..SBendtrans-76.4170-175.8-61.783.3177.100114.1T101 S279 E284E99-T101 PolarHBondContact O-N 3.11Å; E99-S279 VanDerWaalsContact OE1-CB 3.25Å; E99-S279 WeakPolarHBondContact OE1-CB 3.35Å; E99-S279 PolarHBondContact OE1-OG 3Å; E99-E284 WeakPolarHBondContact CB-OE1 3.3Å
100E98.7Very high98.5Very high48 Ų4838.7 Ų38.722%0.22419%0.194CC..  trans-65.9123.4168.4-64.6-172.7173.200110.6R102 K159 E284E100-R102 VanDerWaalsContact C-N 3.31Å; E100-R102 HydrophobicContact CB-CG 4.37Å; E100-R102 PolarHBondContact O-N 3.38Å; E100-K159 VanDerWaalsContact CD-NZ 3.28Å; E100-K159 HydrophobicContact CG-CD 4.22Å; E100-K159 VanDerWaalsContact CG-CE 3.46Å; E100-K159 IonicContact OE1-NZ 3.95Å; E100-K159 PolarHBondContact OE1-NZ 2.84Å; E100-E284 PolarHBondContact N-OE1 2.97Å
101T98.6Very high98.5Very high22 Ų2238.9 Ų38.914%0.13520%0.195CC..  trans-74.9-26.7-179.170.90000111.8E99 V103 I104 I145 N158 D160E99-T101 PolarHBondContact O-N 3.11Å; T101-V103 PolarHBondContact O-N 3.44Å; T101-I104 HydrophobicContact CG2-CD1 3.96Å; T101-I104 WeakPolarHBondContact OG1-CB 3.46Å; T101-I104 WeakPolarHBondContact OG1-CD1 3.26Å; T101-I104 VanDerWaalsContact OG1-CG1 3.29Å; T101-I104 WeakPolarHBondContact OG1-CG1 3.08Å; T101-I104 PolarHBondContact OG1-N 2.98Å; T101-I145 HydrophobicContact CG2-CG2 3.73Å; T101-N158 WeakPolarHBondContact CG2-ND2 3.17Å; T101-D160 WeakPolarHBondContact CB-OD2 3.37Å; T101-D160 PolarHBondContact N-OD1 3.48Å; T101-D160 PolarHBondContact N-OD2 3.31Å; T101-D160 VanDerWaalsContact N-OD2 3.13Å; T101-D160 PolarHBondContact OG1-OD2 3.16Å
102R98.1Very high98.5Very high143 Ų14341.2 Ų41.254%0.5421%0.206SC..SBendtrans64.4-33.6-177.5-46.6178.963.672.1-3.5114.6E100 P105 R106 D160E100-R102 VanDerWaalsContact C-N 3.31Å; E100-R102 HydrophobicContact CB-CG 4.37Å; E100-R102 PolarHBondContact O-N 3.38Å; R102-P105 WeakPolarHBondContact O-CD 3.3Å; R102-P105 WeakPolarHBondContact O-CG 3.24Å; R102-R106 WeakPolarHBondContact O-CD 3.38Å; R102-R106 WeakPolarHBondContact O-CG 3.28Å; R102-D160 PolarHBondContact N-OD1 2.93Å
103V98.5Very high98.4Very high54 Ų5447.6 Ų47.633%0.32724%0.237SC..Hα-helixtrans-76.5-34.2-178.3-62.70000112.6T101 R106 I107 I145T101-V103 PolarHBondContact O-N 3.44Å; V103-R106 WeakPolarHBondContact O-CB 3.29Å; V103-R106 PolarHBondContact O-N 3.14Å; V103-I107 PolarHBondContact O-N 2.93Å; V103-I145 HydrophobicContact CG2-CD1 4.13Å; V103-I145 HydrophobicContact CG2-CG1 4.07Å; V103-I145 HydrophobicContact CG2-CG2 3.97Å
104I98.8Very high98.4Very high0 Ų048.8 Ų48.80%023%0.233CC..Hα-helixtrans-57.4-54.9178.3-70.7177.4000112.3T101 R106 I107 L108 L142 I145 I146 A163T101-I104 HydrophobicContact CG2-CD1 3.96Å; T101-I104 WeakPolarHBondContact OG1-CB 3.46Å; T101-I104 WeakPolarHBondContact OG1-CD1 3.26Å; T101-I104 VanDerWaalsContact OG1-CG1 3.29Å; T101-I104 WeakPolarHBondContact OG1-CG1 3.08Å; T101-I104 PolarHBondContact OG1-N 2.98Å; I104-R106 PolarHBondContact O-N 3.4Å; I104-I107 VanDerWaalsContact O-CG2 3.31Å; I104-I107 WeakPolarHBondContact O-CG2 3.36Å; I104-I107 PolarHBondContact O-N 3.45Å; I104-L108 HydrophobicContact CG2-CD1 3.65Å; I104-L108 HydrophobicContact CG2-CG 4.38Å; I104-L108 WeakPolarHBondContact O-CB 3.43Å; I104-L108 VanDerWaalsContact O-CG 3.23Å; I104-L108 WeakPolarHBondContact O-CG 3.36Å; I104-L108 PolarHBondContact O-N 3.18Å; I104-L142 HydrophobicContact CB-CD2 4.14Å; I104-L142 HydrophobicContact CD1-CD2 4.43Å; I104-L142 HydrophobicContact CG1-CD2 3.78Å; I104-L142 HydrophobicContact CG2-CD2 3.79Å; I104-I145 HydrophobicContact CD1-CB 4.48Å; I104-I145 HydrophobicContact CD1-CG2 4.03Å; I104-I145 HydrophobicContact CG1-CG2 4.12Å; I104-I146 HydrophobicContact CD1-CD1 4.26Å; I104-I146 HydrophobicContact CD1-CG1 3.7Å; I104-A163 HydrophobicContact CG2-CB 4.23Å
105P98.4Very high98.2Very high31 Ų3148.2 Ų48.220%0.20123%0.234CC..Hα-helixtrans-64.2-26.317923.7-34000112.9R102 A109 D160R102-P105 WeakPolarHBondContact O-CD 3.3Å; R102-P105 WeakPolarHBondContact O-CG 3.24Å; P105-A109 WeakPolarHBondContact O-CB 3.4Å; P105-A109 PolarHBondContact O-N 3.47Å; P105-D160 HydrophobicContact CG-CB 4.04Å
106R98.4Very high98.1Very high159 Ų15956.3 Ų56.360%0.626%0.264SS*.Hα-helixtrans-70.6-49.4177.2-68.9171178.1178.3-4.2111.8R102 V103 I104 L108 A109 L110R102-R106 WeakPolarHBondContact O-CD 3.38Å; R102-R106 WeakPolarHBondContact O-CG 3.28Å; V103-R106 WeakPolarHBondContact O-CB 3.29Å; V103-R106 PolarHBondContact O-N 3.14Å; I104-R106 PolarHBondContact O-N 3.4Å; R106-L108 VanDerWaalsContact C-N 3.32Å; R106-L108 PolarHBondContact O-N 3.41Å; R106-A109 PolarHBondContact O-N 3.37Å; R106-L110 WeakPolarHBondContact O-CB 3.39Å; R106-L110 PolarHBondContact O-N 3Å
107I98.7Very high98Very high36 Ų3658 Ų5819%0.18528%0.278CS..Hα-helixtrans-67.6-35.7178.6-163.8174.1000111.3V103 I104 A109 L110 K111 M138 F141 L142V103-I107 PolarHBondContact O-N 2.93Å; I104-I107 VanDerWaalsContact O-CG2 3.31Å; I104-I107 WeakPolarHBondContact O-CG2 3.36Å; I104-I107 PolarHBondContact O-N 3.45Å; I107-A109 PolarHBondContact O-N 2.99Å; I107-L110 PolarHBondContact O-N 3.23Å; I107-K111 PolarHBondContact O-N 3.24Å; I107-M138 HydrophobicContact CB-CE 4.49Å; I107-M138 HydrophobicContact CD1-CE 4.44Å; I107-M138 HydrophobicContact CD1-SD 3.83Å; I107-M138 HydrophobicContact CG1-CE 4.03Å; I107-M138 HydrophobicContact CG1-SD 3.77Å; I107-M138 HydrophobicContact CG2-CE 4.03Å; I107-F141 HydrophobicContact CB-CE1 4.19Å; I107-F141 HydrophobicContact CD1-CB 4.24Å; I107-F141 HydrophobicContact CD1-CD1 3.45Å; I107-F141 VanDerWaalsContact CD1-CD1 3.45Å; I107-F141 HydrophobicContact CD1-CD2 3.89Å; I107-F141 HydrophobicContact CD1-CE1 3.67Å; I107-F141 HydrophobicContact CD1-CE2 4.08Å; I107-F141 HydrophobicContact CD1-CG 3.57Å; I107-F141 HydrophobicContact CD1-CZ 3.98Å; I107-F141 HydrophobicContact CG2-CD1 3.9Å; I107-F141 HydrophobicContact CG2-CE1 3.71Å; I107-L142 HydrophobicContact CG2-CD2 4Å
108L98.7Very high98Very high2 Ų262.4 Ų62.41%0.0131%0.31CS..Hα-helixtrans-62.4-41.8173.2-73.1170.4000112.2I104 R106 Q112 M138 L142 A163 Y169 L170I104-L108 HydrophobicContact CG2-CD1 3.65Å; I104-L108 HydrophobicContact CG2-CG 4.38Å; I104-L108 WeakPolarHBondContact O-CB 3.43Å; I104-L108 VanDerWaalsContact O-CG 3.23Å; I104-L108 WeakPolarHBondContact O-CG 3.36Å; I104-L108 PolarHBondContact O-N 3.18Å; R106-L108 VanDerWaalsContact C-N 3.32Å; R106-L108 PolarHBondContact O-N 3.41Å; L108-Q112 WeakPolarHBondContact O-CB 3.46Å; L108-Q112 PolarHBondContact O-N 3.18Å; L108-M138 HydrophobicContact CD2-CE 3.94Å; L108-M138 HydrophobicContact CG-CE 4.49Å; L108-L142 HydrophobicContact CD2-CD1 4.27Å; L108-A163 HydrophobicContact CD1-CB 4.04Å; L108-Y169 HydrophobicContact CD2-CD1 3.9Å; L108-Y169 HydrophobicContact CD2-CE1 4.1Å; L108-L170 HydrophobicContact CD1-CD1 4.15Å; L108-L170 HydrophobicContact CD1-CD2 4.27Å; L108-L170 HydrophobicContact CD1-CG 4.4Å; L108-L170 HydrophobicContact CD2-CD2 4.04Å; L108-L170 HydrophobicContact CD2-CG 4.36Å
109A98.1Very high97.9Very high46 Ų4670.1 Ų70.138%0.3834%0.342SS..Hα-helixtrans-64.4-42.1176.300000111.7P105 R106 I107 Q112 M113P105-A109 WeakPolarHBondContact O-CB 3.4Å; P105-A109 PolarHBondContact O-N 3.47Å; R106-A109 PolarHBondContact O-N 3.37Å; I107-A109 PolarHBondContact O-N 2.99Å; A109-Q112 WeakPolarHBondContact O-CB 3.25Å; A109-Q112 PolarHBondContact O-N 3.42Å; A109-M113 WeakPolarHBondContact O-CG 3.2Å; A109-M113 PolarHBondContact O-N 3.05Å
110L98.4Very high97.9Very high73 Ų7370.8 Ų70.838%0.38235%0.346SS..Hα-helixtrans-65-45.6178174.9153000111.8R106 I107 Q112 M113 W114R106-L110 WeakPolarHBondContact O-CB 3.39Å; R106-L110 PolarHBondContact O-N 3Å; I107-L110 PolarHBondContact O-N 3.23Å; L110-Q112 VanDerWaalsContact C-N 3.3Å; L110-Q112 PolarHBondContact O-N 2.98Å; L110-M113 WeakPolarHBondContact O-CB 3.46Å; L110-M113 PolarHBondContact O-N 3.05Å; L110-M113 VanDerWaalsContact O-N 3.15Å; L110-W114 HydrophobicContact CD1-CZ2 4.47Å; L110-W114 HydrophobicContact CD2-CD2 3.95Å; L110-W114 VanDerWaalsContact CD2-CE2 3.49Å; L110-W114 HydrophobicContact CD2-CE3 3.96Å; L110-W114 HydrophobicContact CD2-CH2 3.15Å; L110-W114 HydrophobicContact CD2-CZ2 3.11Å; L110-W114 HydrophobicContact CD2-CZ3 3.57Å; L110-W114 HydrophobicContact CG-CH2 4.4Å; L110-W114 HydrophobicContact CG-CZ2 3.94Å; L110-W114 PolarHBondContact O-N 3.28Å
111K98.4Very high97.8Very high5 Ų572 Ų722%0.02235%0.35CS..Hα-helixtrans-58.6-41.3171.2174.957.8171.2710112.1I107 M113 W114 S115 D131 L134 M138 Y169I107-K111 PolarHBondContact O-N 3.24Å; K111-M113 VanDerWaalsContact C-N 3.32Å; K111-M113 PolarHBondContact O-N 2.79Å; K111-W114 HydrophobicContact CD-CE3 4.09Å; K111-W114 PolarHBondContact O-N 2.83Å; K111-S115 PolarHBondContact NZ-OG 3.29Å; K111-S115 PolarHBondContact O-N 3.04Å; K111-S115 VanDerWaalsContact O-N 3.12Å; K111-S115 PolarHBondContact O-OG 2.65Å; K111-D131 IonicContact NZ-OD1 3.5Å; K111-L134 HydrophobicContact CD-CB 4.32Å; K111-L134 HydrophobicContact CD-CD1 4.26Å; K111-L134 VanDerWaalsContact CE-CB 3.5Å; K111-M138 HydrophobicContact CB-CE 4Å; K111-M138 HydrophobicContact CB-SD 4.11Å; K111-M138 HydrophobicContact CG-CE 4.43Å; K111-M138 HydrophobicContact CG-CG 4.33Å; K111-M138 HydrophobicContact CG-SD 4.46Å; K111-Y169 WeakPolarHBondContact CE-OH 3.34Å; K111-Y169 HydrophobicContact CG-CE1 3.96Å
112Q97.6Very high97.8Very high50 Ų5076 Ų7623%0.23437%0.369CS..Hα-helixtrans-64-36.7177.5179.9173.781.200112.1L108 A109 L110 S115 R116L108-Q112 WeakPolarHBondContact O-CB 3.46Å; L108-Q112 PolarHBondContact O-N 3.18Å; A109-Q112 WeakPolarHBondContact O-CB 3.25Å; A109-Q112 PolarHBondContact O-N 3.42Å; L110-Q112 VanDerWaalsContact C-N 3.3Å; L110-Q112 PolarHBondContact O-N 2.98Å; Q112-S115 PolarHBondContact O-N 3.03Å; Q112-R116 HydrophobicContact CG-CG 4.35Å; Q112-R116 WeakPolarHBondContact O-CB 3.46Å; Q112-R116 VanDerWaalsContact O-CG 3.28Å; Q112-R116 WeakPolarHBondContact O-CG 3.35Å; Q112-R116 PolarHBondContact O-N 2.94Å
113M97.7Very high97.8Very high136 Ų13677 Ų7767%0.6737%0.373SS*.Hα-helixtrans-63.5-44.7176.2-73.2173.459.800111.9A109 L110 K111 S115 R116 S117A109-M113 WeakPolarHBondContact O-CG 3.2Å; A109-M113 PolarHBondContact O-N 3.05Å; L110-M113 WeakPolarHBondContact O-CB 3.46Å; L110-M113 PolarHBondContact O-N 3.05Å; L110-M113 VanDerWaalsContact O-N 3.15Å; K111-M113 VanDerWaalsContact C-N 3.32Å; K111-M113 PolarHBondContact O-N 2.79Å; M113-S115 PolarHBondContact O-N 3.3Å; M113-R116 PolarHBondContact O-N 2.99Å; M113-S117 PolarHBondContact O-N 2.84Å
114W97.6Very high97.8Very high91 Ų9175.8 Ų75.835%0.34537%0.365SS..Hα-helixtrans-58.8-47.5175.6-60.1-28.9000111.8L110 K111 R116 S117 L124 L134L110-W114 HydrophobicContact CD1-CZ2 4.47Å; L110-W114 HydrophobicContact CD2-CD2 3.95Å; L110-W114 VanDerWaalsContact CD2-CE2 3.49Å; L110-W114 HydrophobicContact CD2-CE3 3.96Å; L110-W114 HydrophobicContact CD2-CH2 3.15Å; L110-W114 HydrophobicContact CD2-CZ2 3.11Å; L110-W114 HydrophobicContact CD2-CZ3 3.57Å; L110-W114 HydrophobicContact CG-CH2 4.4Å; L110-W114 HydrophobicContact CG-CZ2 3.94Å; L110-W114 PolarHBondContact O-N 3.28Å; K111-W114 HydrophobicContact CD-CE3 4.09Å; K111-W114 PolarHBondContact O-N 2.83Å; W114-R116 VanDerWaalsContact C-N 3.3Å; W114-R116 PolarHBondContact O-N 3.37Å; W114-S117 PolarHBondContact O-N 2.92Å; W114-L124 HydrophobicContact CB-CD1 4.02Å; W114-L124 HydrophobicContact CG-CD1 4.42Å; W114-L134 HydrophobicContact CE3-CD2 4.24Å; W114-L134 HydrophobicContact CZ3-CD2 4.01Å
115S95.3Very high97.8Very high49 Ų4979 Ų7934%0.34338%0.382SS..Hα-helixtrans-70.6-21.1-179.3-65.20000114.6K111 Q112 M113K111-S115 PolarHBondContact NZ-OG 3.29Å; K111-S115 PolarHBondContact O-N 3.04Å; K111-S115 VanDerWaalsContact O-N 3.12Å; K111-S115 PolarHBondContact O-OG 2.65Å; Q112-S115 PolarHBondContact O-N 3.03Å; M113-S115 PolarHBondContact O-N 3.3Å
116R95.8Very high97.7Very high175 Ų17585.4 Ų85.466%0.6641%0.409SS*.Hα-helixtrans-83.3-23.6177.3-79-179.7176.9-178.62.5113.5Q112 M113 W114Q112-R116 HydrophobicContact CG-CG 4.35Å; Q112-R116 WeakPolarHBondContact O-CB 3.46Å; Q112-R116 VanDerWaalsContact O-CG 3.28Å; Q112-R116 WeakPolarHBondContact O-CG 3.35Å; Q112-R116 PolarHBondContact O-N 2.94Å; M113-R116 PolarHBondContact O-N 2.99Å; W114-R116 VanDerWaalsContact C-N 3.3Å; W114-R116 PolarHBondContact O-N 3.37Å
117S97.6Very high97.7Very high53 Ų5381.2 Ų81.237%0.37141%0.408SS..  trans-90.4104.1178.2175.80000109.7M113 W114 K119 E120 K121M113-S117 PolarHBondContact O-N 2.84Å; W114-S117 PolarHBondContact O-N 2.92Å; S117-K119 PolarHBondContact O-N 2.72Å; S117-E120 PolarHBondContact O-N 2.75Å; S117-E120 PolarHBondContact OG-N 3.19Å; S117-K121 PolarHBondContact O-N 2.97Å
118S97.1Very high97.7Very high94 Ų9481.6 Ų81.666%0.65742%0.422SS*.Hα-helixtrans-56.6-37.6179.4-49.10000112.4K121 I122S118-K121 PolarHBondContact O-N 3.16Å; S118-I122 VanDerWaalsContact O-CG1 3.32Å; S118-I122 WeakPolarHBondContact O-CG1 3.45Å; S118-I122 PolarHBondContact O-N 2.91Å
119K97.8Very high97.7Very high163 Ų16383.7 Ų83.771%0.70944%0.435SS*.Hα-helixtrans-64.4-42.3176.8-173.8175.6-178.4175.90111.7S117 R123S117-K119 PolarHBondContact O-N 2.72Å; K119-R123 WeakPolarHBondContact O-CG 3.37Å; K119-R123 PolarHBondContact O-N 3.48Å
120E98Very high97.7Very high57 Ų5784 Ų8427%0.26643%0.431SS..Hα-helixtrans-69.8-40.1177.9-169.662.1-171.900111.1S117 I122 R123 L124S117-E120 PolarHBondContact O-N 2.75Å; S117-E120 PolarHBondContact OG-N 3.19Å; E120-I122 PolarHBondContact O-N 3.27Å; E120-R123 PolarHBondContact O-N 3.05Å; E120-R123 VanDerWaalsContact O-N 3.12Å; E120-R123 IonicContact OE2-NH1 3.92Å; E120-L124 HydrophobicContact CG-CD1 4.18Å; E120-L124 HydrophobicContact CG-CG 4.46Å; E120-L124 WeakPolarHBondContact O-CG 3.15Å; E120-L124 PolarHBondContact O-N 2.66Å
121K96.9Very high97.6Very high73 Ų7382.9 Ų82.932%0.31743%0.426SS..Hα-helixtrans-57.2-47.3176.1-169.1176.2-174.5171.10111.8S117 S118 R123 L124 D125 D131S117-K121 PolarHBondContact O-N 2.97Å; S118-K121 PolarHBondContact O-N 3.16Å; K121-R123 VanDerWaalsContact C-N 3.31Å; K121-R123 PolarHBondContact O-N 2.92Å; K121-L124 PolarHBondContact O-N 3.29Å; K121-D125 WeakPolarHBondContact O-CB 3.33Å; K121-D125 VanDerWaalsContact O-CG 3.31Å; K121-D125 PolarHBondContact O-N 3.41Å; K121-D131 WeakPolarHBondContact CE-OD2 3.45Å; K121-D131 IonicContact NZ-OD2 3.82Å; K121-D131 PolarHBondContact NZ-OD2 2.88Å
122I98Very high97.6Very high105 Ų10590.4 Ų90.454%0.53846%0.461SS..Hα-helixtrans-57.7-44.9175.9-68.2163.6000110.8S118 E120 L124 D125 E126S118-I122 VanDerWaalsContact O-CG1 3.32Å; S118-I122 WeakPolarHBondContact O-CG1 3.45Å; S118-I122 PolarHBondContact O-N 2.91Å; E120-I122 PolarHBondContact O-N 3.27Å; I122-L124 VanDerWaalsContact C-N 3.34Å; I122-L124 PolarHBondContact O-N 2.95Å; I122-D125 PolarHBondContact O-N 2.89Å; I122-E126 HydrophobicContact CG2-CG 4.32Å; I122-E126 VanDerWaalsContact O-CG 3.3Å; I122-E126 WeakPolarHBondContact O-CG 3.21Å; I122-E126 PolarHBondContact O-N 2.67Å
123R98.4Very high97.6Very high164 Ų16491.6 Ų91.662%0.61947%0.472SS*.Hα-helixtrans-63.2-39.4179.2-67177.878.4-170.66.4112.8K119 E120 K121 A127K119-R123 WeakPolarHBondContact O-CG 3.37Å; K119-R123 PolarHBondContact O-N 3.48Å; E120-R123 PolarHBondContact O-N 3.05Å; E120-R123 VanDerWaalsContact O-N 3.12Å; E120-R123 IonicContact OE2-NH1 3.92Å; K121-R123 VanDerWaalsContact C-N 3.31Å; K121-R123 PolarHBondContact O-N 2.92Å; R123-A127 WeakPolarHBondContact O-CB 3.25Å; R123-A127 PolarHBondContact O-N 3.18Å; R123-A127 VanDerWaalsContact O-N 3.13Å
124L98.4Very high97.6Very high30 Ų3086 Ų8616%0.15744%0.444CS..Hα-helixtrans-67.2-43.4177-69.3170.6000111W114 E120 K121 I122 A127 G128 V129 L134W114-L124 HydrophobicContact CB-CD1 4.02Å; W114-L124 HydrophobicContact CG-CD1 4.42Å; E120-L124 HydrophobicContact CG-CD1 4.18Å; E120-L124 HydrophobicContact CG-CG 4.46Å; E120-L124 WeakPolarHBondContact O-CG 3.15Å; E120-L124 PolarHBondContact O-N 2.66Å; K121-L124 PolarHBondContact O-N 3.29Å; I122-L124 VanDerWaalsContact C-N 3.34Å; I122-L124 PolarHBondContact O-N 2.95Å; L124-A127 CarbonylContact O-C 3.5Å; L124-A127 PolarHBondContact O-N 2.85Å; L124-A127 VanDerWaalsContact O-N 3.15Å; L124-G128 PolarHBondContact O-N 3.35Å; L124-V129 HydrophobicContact CB-CB 4.28Å; L124-V129 HydrophobicContact CD2-CB 4.13Å; L124-V129 HydrophobicContact CD2-CG1 4.13Å; L124-V129 CarbonylContact O-C 3.45Å; L124-V129 WeakPolarHBondContact O-CA 3.3Å; L124-V129 PolarHBondContact O-N 3.32Å; L124-L134 HydrophobicContact CD1-CD1 4.33Å
125D97.8Very high97.7Very high67 Ų6782.1 Ų82.136%0.35843%0.431SS..Hα-helixtrans-62.6-45.4177.8-69.6-23.6000111.2K121 I122 A127 G128K121-D125 WeakPolarHBondContact O-CB 3.33Å; K121-D125 VanDerWaalsContact O-CG 3.31Å; K121-D125 PolarHBondContact O-N 3.41Å; I122-D125 PolarHBondContact O-N 2.89Å; D125-A127 PolarHBondContact O-N 2.75Å; D125-G128 PolarHBondContact O-N 3Å
126E97.9Very high97.8Very high166 Ų16683.2 Ų83.278%0.77644%0.438SS*.Hα-helixtrans-63.7-26.3174.7-68.1-62.7133.200113.1I122 G128I122-E126 HydrophobicContact CG2-CG 4.32Å; I122-E126 VanDerWaalsContact O-CG 3.3Å; I122-E126 WeakPolarHBondContact O-CG 3.21Å; I122-E126 PolarHBondContact O-N 2.67Å; E126-G128 VanDerWaalsContact C-N 3.28Å
127A98.3Very high98Very high70 Ų7077.6 Ų77.658%0.57943%0.429SS*.THydrogen-bonded Turntrans-84.72.7174.800000113.3R123 L124 D125 V129R123-A127 WeakPolarHBondContact O-CB 3.25Å; R123-A127 PolarHBondContact O-N 3.18Å; R123-A127 VanDerWaalsContact O-N 3.13Å; L124-A127 CarbonylContact O-C 3.5Å; L124-A127 PolarHBondContact O-N 2.85Å; L124-A127 VanDerWaalsContact O-N 3.15Å; D125-A127 PolarHBondContact O-N 2.75Å; A127-V129 HydrophobicContact CB-CG2 4.19Å; A127-V129 PolarHBondContact O-N 3.01Å
128G97.6Very high98Very high45 Ų4575.4 Ų75.446%0.46441%0.413SS..THydrogen-bonded Turntrans73.48.6-175.200000114.2L124 D125 E126 T130L124-G128 PolarHBondContact O-N 3.35Å; D125-G128 PolarHBondContact O-N 3Å; E126-G128 VanDerWaalsContact C-N 3.28Å; G128-T130 PolarHBondContact O-N 2.99Å; G128-T130 VanDerWaalsContact O-N 3.13Å
129V98.3Very high98.1Very high46 Ų4672.6 Ų72.628%0.27939%0.39SS..  trans-9061.6177.5-169.70000109L124 A127 V133 L134L124-V129 HydrophobicContact CB-CB 4.28Å; L124-V129 HydrophobicContact CD2-CB 4.13Å; L124-V129 HydrophobicContact CD2-CG1 4.13Å; L124-V129 CarbonylContact O-C 3.45Å; L124-V129 WeakPolarHBondContact O-CA 3.3Å; L124-V129 PolarHBondContact O-N 3.32Å; A127-V129 HydrophobicContact CB-CG2 4.19Å; A127-V129 PolarHBondContact O-N 3.01Å; V129-V133 HydrophobicContact CG1-CG1 4.48Å; V129-L134 HydrophobicContact CG1-CD1 4.45Å; V129-L134 HydrophobicContact CG1-CD2 3.65Å; V129-L134 HydrophobicContact CG1-CG 3.85Å
130T98Very high98.1Very high51 Ų5165.8 Ų65.831%0.31336%0.364SS..  trans-67.9170.5-176.167.10000112.3G128 E132 V133 L134G128-T130 PolarHBondContact O-N 2.99Å; G128-T130 VanDerWaalsContact O-N 3.13Å; T130-E132 PolarHBondContact O-N 3.32Å; T130-E132 PolarHBondContact OG1-N 2.83Å; T130-V133 PolarHBondContact O-N 2.9Å; T130-V133 VanDerWaalsContact O-N 3.16Å; T130-L134 WeakPolarHBondContact O-CG 3.47Å; T130-L134 PolarHBondContact O-N 3.45Å
131D97.6Very high98.1Very high50 Ų5067 Ų6727%0.26737%0.368SS..Hα-helixtrans-54.7-37.2173.5-83-41.4000111.8K111 K121 L134 D135K111-D131 IonicContact NZ-OD1 3.5Å; K121-D131 WeakPolarHBondContact CE-OD2 3.45Å; K121-D131 IonicContact NZ-OD2 3.82Å; K121-D131 PolarHBondContact NZ-OD2 2.88Å; D131-L134 PolarHBondContact O-N 3.08Å; D131-D135 WeakPolarHBondContact O-CB 3.48Å; D131-D135 PolarHBondContact O-N 3.47Å; D131-D135 VanDerWaalsContact O-OD2 3.07Å
132E97.7Very high98.2Very high163 Ų16363.6 Ų63.676%0.76235%0.353SS*.Hα-helixtrans-64.6-43.6177.2-66.2-178-179.800112.8T130 D135 S136T130-E132 PolarHBondContact O-N 3.32Å; T130-E132 PolarHBondContact OG1-N 2.83Å; E132-D135 PolarHBondContact O-N 3.1Å; E132-S136 WeakPolarHBondContact O-CB 3.37Å; E132-S136 PolarHBondContact O-N 3.07Å
133V98.3Very high98.2Very high75 Ų7558.9 Ų58.946%0.45533%0.329SS..Hα-helixtrans-63.9-47.1176.9174.10000110.2V129 T130 D135 S136 A137V129-V133 HydrophobicContact CG1-CG1 4.48Å; T130-V133 PolarHBondContact O-N 2.9Å; T130-V133 VanDerWaalsContact O-N 3.16Å; V133-D135 PolarHBondContact O-N 3.44Å; V133-S136 PolarHBondContact O-N 3.39Å; V133-A137 WeakPolarHBondContact O-CB 3.37Å; V133-A137 PolarHBondContact O-N 2.97Å
134L98.3Very high98.2Very high18 Ų1854 Ų549%0.09431%0.313CS..Hα-helixtrans-63-42.4178.1-71.1170.6000111.6K111 W114 L124 V129 T130 D131 A137 M138K111-L134 HydrophobicContact CD-CB 4.32Å; K111-L134 HydrophobicContact CD-CD1 4.26Å; K111-L134 VanDerWaalsContact CE-CB 3.5Å; W114-L134 HydrophobicContact CE3-CD2 4.24Å; W114-L134 HydrophobicContact CZ3-CD2 4.01Å; L124-L134 HydrophobicContact CD1-CD1 4.33Å; V129-L134 HydrophobicContact CG1-CD1 4.45Å; V129-L134 HydrophobicContact CG1-CD2 3.65Å; V129-L134 HydrophobicContact CG1-CG 3.85Å; T130-L134 WeakPolarHBondContact O-CG 3.47Å; T130-L134 PolarHBondContact O-N 3.45Å; D131-L134 PolarHBondContact O-N 3.08Å; L134-A137 PolarHBondContact O-N 3.48Å; L134-M138 WeakPolarHBondContact O-CB 3.27Å; L134-M138 WeakPolarHBondContact O-CG 3.48Å; L134-M138 PolarHBondContact O-N 3.18Å
135D98.5Very high98.2Very high11 Ų1154.8 Ų54.86%0.05932%0.317CS..Hα-helixtrans-67.8-39.2-178.6-69.3-23000111.9D131 E132 V133 M138 Q139 Y169 R172 L173D131-D135 WeakPolarHBondContact O-CB 3.48Å; D131-D135 PolarHBondContact O-N 3.47Å; D131-D135 VanDerWaalsContact O-OD2 3.07Å; E132-D135 PolarHBondContact O-N 3.1Å; V133-D135 PolarHBondContact O-N 3.44Å; D135-M138 PolarHBondContact O-N 3.38Å; D135-Q139 WeakPolarHBondContact O-CB 3.37Å; D135-Q139 WeakPolarHBondContact O-CG 3.17Å; D135-Q139 PolarHBondContact O-N 3.28Å; D135-Y169 WeakPolarHBondContact OD1-CE2 3.4Å; D135-Y169 VanDerWaalsContact OD1-CZ 3.29Å; D135-Y169 PolarHBondContact OD1-OH 2.89Å; D135-R172 VanDerWaalsContact CG-NH2 3.34Å; D135-R172 IonicContact OD1-NH2 3.81Å; D135-R172 PolarHBondContact OD1-NH2 2.97Å; D135-R172 IonicContact OD2-CZ 3.37Å; D135-R172 IonicContact OD2-NH1 2.75Å; D135-R172 PolarHBondContact OD2-NH1 3.38Å; D135-R172 IonicContact OD2-NH2 3.71Å; D135-R172 PolarHBondContact OD2-NH2 3Å; D135-L173 HydrophobicContact CB-CD2 3.53Å
136S98.2Very high98.2Very high71 Ų7151.6 Ų51.650%0.49730%0.3SS..Hα-helixtrans-61.3-46172-177.40000111.6E132 V133 M138 Q139 A140E132-S136 WeakPolarHBondContact O-CB 3.37Å; E132-S136 PolarHBondContact O-N 3.07Å; V133-S136 PolarHBondContact O-N 3.39Å; S136-M138 PolarHBondContact O-N 2.77Å; S136-Q139 PolarHBondContact O-N 2.87Å; S136-A140 WeakPolarHBondContact O-CB 3.46Å; S136-A140 PolarHBondContact O-N 2.94Å
137A98.3Very high98.2Very high57 Ų5743.7 Ų43.747%0.47126%0.264SS..Hα-helixtrans-63.1-41.6176.500000112.3V133 L134 A140 F141V133-A137 WeakPolarHBondContact O-CB 3.37Å; V133-A137 PolarHBondContact O-N 2.97Å; L134-A137 PolarHBondContact O-N 3.48Å; A137-A140 PolarHBondContact O-N 2.82Å; A137-F141 WeakPolarHBondContact O-CB 3.31Å; A137-F141 PolarHBondContact O-N 3.15Å
138M98.7Very high98.1Very high8 Ų845 Ų454%0.03926%0.256CS..Hα-helixtrans-66.2-43.8176.8-71.8-64.7-65.300111.6I107 L108 K111 L134 D135 S136 A140 F141 L142 Y169 L173I107-M138 HydrophobicContact CB-CE 4.49Å; I107-M138 HydrophobicContact CD1-CE 4.44Å; I107-M138 HydrophobicContact CD1-SD 3.83Å; I107-M138 HydrophobicContact CG1-CE 4.03Å; I107-M138 HydrophobicContact CG1-SD 3.77Å; I107-M138 HydrophobicContact CG2-CE 4.03Å; L108-M138 HydrophobicContact CD2-CE 3.94Å; L108-M138 HydrophobicContact CG-CE 4.49Å; K111-M138 HydrophobicContact CB-CE 4Å; K111-M138 HydrophobicContact CB-SD 4.11Å; K111-M138 HydrophobicContact CG-CE 4.43Å; K111-M138 HydrophobicContact CG-CG 4.33Å; K111-M138 HydrophobicContact CG-SD 4.46Å; L134-M138 WeakPolarHBondContact O-CB 3.27Å; L134-M138 WeakPolarHBondContact O-CG 3.48Å; L134-M138 PolarHBondContact O-N 3.18Å; D135-M138 PolarHBondContact O-N 3.38Å; S136-M138 PolarHBondContact O-N 2.77Å; M138-A140 VanDerWaalsContact C-N 3.35Å; M138-A140 PolarHBondContact O-N 2.88Å; M138-F141 PolarHBondContact O-N 3.4Å; M138-L142 HydrophobicContact CE-CD1 4.42Å; M138-L142 VanDerWaalsContact O-CB 3.28Å; M138-L142 WeakPolarHBondContact O-CB 3.39Å; M138-L142 WeakPolarHBondContact O-CG 3.49Å; M138-L142 PolarHBondContact O-N 3.02Å; M138-Y169 HydrophobicContact CE-CE1 4.32Å; M138-L173 HydrophobicContact CB-CD1 3.88Å
139Q98.6Very high98.1Very high35 Ų3545.6 Ų45.616%0.16425%0.247CC..Hα-helixtrans-57.1-49.2174.7-76161.21.700111K67 D135 S136 L143 L173 F174K67-Q139 HydrophobicContact CB-CG 4.35Å; D135-Q139 WeakPolarHBondContact O-CB 3.37Å; D135-Q139 WeakPolarHBondContact O-CG 3.17Å; D135-Q139 PolarHBondContact O-N 3.28Å; S136-Q139 PolarHBondContact O-N 2.87Å; Q139-L143 VanDerWaalsContact O-CB 3.29Å; Q139-L143 WeakPolarHBondContact O-CB 3.28Å; Q139-L143 VanDerWaalsContact O-CG 3.25Å; Q139-L143 WeakPolarHBondContact O-CG 3.2Å; Q139-L143 PolarHBondContact O-N 3.05Å; Q139-L173 HydrophobicContact CG-CB 4Å; Q139-L173 HydrophobicContact CG-CD2 4.13Å; Q139-L173 HydrophobicContact CG-CG 4.45Å; Q139-L173 PolarHBondContact NE2-O 3.32Å; Q139-L173 VanDerWaalsContact NE2-O 3.12Å; Q139-F174 HydrophobicContact CB-CE1 4.32Å; Q139-F174 HydrophobicContact CG-CE1 4.14Å; Q139-F174 HydrophobicContact CG-CZ 4.43Å
140A97.9Very high97.9Very high20 Ų2044.7 Ų44.717%0.16525%0.247CC..Hα-helixtrans-57.9-52.2177.900000112.2S136 A137 M138 L143 E144S136-A140 WeakPolarHBondContact O-CB 3.46Å; S136-A140 PolarHBondContact O-N 2.94Å; A137-A140 PolarHBondContact O-N 2.82Å; M138-A140 VanDerWaalsContact C-N 3.35Å; M138-A140 PolarHBondContact O-N 2.88Å; A140-L143 PolarHBondContact O-N 3.43Å; A140-E144 WeakPolarHBondContact O-CG 3.26Å; A140-E144 PolarHBondContact O-N 3.25Å
141F98.6Very high97.7Very high83 Ų8346.4 Ų46.436%0.36425%0.251SS..Hα-helixtrans-60.6-50.4-178.9-178.4-84000111.6I107 A137 M138 L143 E144 I145I107-F141 HydrophobicContact CB-CE1 4.19Å; I107-F141 HydrophobicContact CD1-CB 4.24Å; I107-F141 HydrophobicContact CD1-CD1 3.45Å; I107-F141 VanDerWaalsContact CD1-CD1 3.45Å; I107-F141 HydrophobicContact CD1-CD2 3.89Å; I107-F141 HydrophobicContact CD1-CE1 3.67Å; I107-F141 HydrophobicContact CD1-CE2 4.08Å; I107-F141 HydrophobicContact CD1-CG 3.57Å; I107-F141 HydrophobicContact CD1-CZ 3.98Å; I107-F141 HydrophobicContact CG2-CD1 3.9Å; I107-F141 HydrophobicContact CG2-CE1 3.71Å; A137-F141 WeakPolarHBondContact O-CB 3.31Å; A137-F141 PolarHBondContact O-N 3.15Å; M138-F141 PolarHBondContact O-N 3.4Å; F141-L143 VanDerWaalsContact C-N 3.34Å; F141-L143 PolarHBondContact O-N 3.02Å; F141-E144 PolarHBondContact O-N 2.87Å; F141-I145 HydrophobicContact CD1-CG1 4.34Å; F141-I145 HydrophobicContact CE1-CG1 3.95Å; F141-I145 HydrophobicContact CZ-CG1 4.3Å; F141-I145 WeakPolarHBondContact O-CG1 3.12Å; F141-I145 PolarHBondContact O-N 3.42Å
142L98.8Very high97.6Very high0 Ų046.1 Ų46.10%025%0.252CS..Hα-helixtrans-63.2-41.9-177.5-66.9174.7000111.2I104 I107 L108 M138 I145 I146 L170 L173 F174I104-L142 HydrophobicContact CB-CD2 4.14Å; I104-L142 HydrophobicContact CD1-CD2 4.43Å; I104-L142 HydrophobicContact CG1-CD2 3.78Å; I104-L142 HydrophobicContact CG2-CD2 3.79Å; I107-L142 HydrophobicContact CG2-CD2 4Å; L108-L142 HydrophobicContact CD2-CD1 4.27Å; M138-L142 HydrophobicContact CE-CD1 4.42Å; M138-L142 VanDerWaalsContact O-CB 3.28Å; M138-L142 WeakPolarHBondContact O-CB 3.39Å; M138-L142 WeakPolarHBondContact O-CG 3.49Å; M138-L142 PolarHBondContact O-N 3.02Å; L142-I145 PolarHBondContact O-N 3.21Å; L142-I146 WeakPolarHBondContact O-CB 3.35Å; L142-I146 WeakPolarHBondContact O-CG1 3.14Å; L142-I146 PolarHBondContact O-N 3.25Å; L142-L170 HydrophobicContact CD1-CD2 3.89Å; L142-L173 HydrophobicContact CD1-CD1 4.01Å; L142-F174 HydrophobicContact CB-CE2 4.24Å; L142-F174 HydrophobicContact CB-CZ 3.98Å; L142-F174 HydrophobicContact CD1-CE2 3.88Å; L142-F174 HydrophobicContact CD1-CZ 4.24Å
143L98.5Very high97.5Very high6 Ų639.6 Ų39.63%0.03123%0.226CC..Hα-helixtrans-65-43.9178.1-75.7171.8000112.3Y65 M69 L71 Q139 A140 F141 I145 I146 V147 F174Y65-L143 HydrophobicContact CD2-CB 3.96Å; Y65-L143 HydrophobicContact CD2-CD1 4.34Å; Y65-L143 HydrophobicContact CD2-CD2 4.47Å; Y65-L143 HydrophobicContact CD2-CG 4.5Å; Y65-L143 HydrophobicContact CE2-CB 3.9Å; M69-L143 HydrophobicContact SD-CD2 4Å; L71-L143 HydrophobicContact CD1-CD2 4.05Å; Q139-L143 VanDerWaalsContact O-CB 3.29Å; Q139-L143 WeakPolarHBondContact O-CB 3.28Å; Q139-L143 VanDerWaalsContact O-CG 3.25Å; Q139-L143 WeakPolarHBondContact O-CG 3.2Å; Q139-L143 PolarHBondContact O-N 3.05Å; A140-L143 PolarHBondContact O-N 3.43Å; F141-L143 VanDerWaalsContact C-N 3.34Å; F141-L143 PolarHBondContact O-N 3.02Å; L143-I145 VanDerWaalsContact C-N 3.27Å; L143-I145 PolarHBondContact O-N 3.5Å; L143-I146 PolarHBondContact O-N 3.47Å; L143-V147 WeakPolarHBondContact O-CB 3.34Å; L143-V147 WeakPolarHBondContact O-CG2 3.47Å; L143-V147 PolarHBondContact O-N 3.3Å; L143-F174 HydrophobicContact CD1-CE1 4.04Å; L143-F174 HydrophobicContact CD2-CE1 3.94Å; L143-F174 HydrophobicContact CD2-CZ 4.44Å; L143-F174 HydrophobicContact CG-CE1 3.75Å; L143-F174 HydrophobicContact CG-CZ 4.13Å
144E97.6Very high97.4Very high62 Ų6239.9 Ų39.929%0.2923%0.229SC..Hα-helixtrans-57-44.2176.7-72.6-65.9165.600111.1R52 Y65 A140 F141 K148R52-E144 IonicContact CZ-OE1 2.79Å; R52-E144 IonicContact NH1-OE1 2.6Å; R52-E144 PolarHBondContact NH1-OE1 3.02Å; Y65-E144 PolarHBondContact OH-OE1 2.89Å; Y65-E144 PolarHBondContact OH-OE2 3.31Å; A140-E144 WeakPolarHBondContact O-CG 3.26Å; A140-E144 PolarHBondContact O-N 3.25Å; F141-E144 PolarHBondContact O-N 2.87Å; E144-K148 WeakPolarHBondContact O-CB 3.38Å; E144-K148 WeakPolarHBondContact O-CG 3.48Å; E144-K148 PolarHBondContact O-N 2.03Å; E144-K148 IonicContact OE2-NZ 3.37Å; E144-K148 PolarHBondContact OE2-NZ 3.34Å
145I98.4Very high97.4Very high46 Ų4642 Ų4224%0.23624%0.236CC..Hα-helixtrans-63.1-60.7177.4-60.1-58.4000110T101 V103 I104 F141 L142 L143 V147 K148 H149T101-I145 HydrophobicContact CG2-CG2 3.73Å; V103-I145 HydrophobicContact CG2-CD1 4.13Å; V103-I145 HydrophobicContact CG2-CG1 4.07Å; V103-I145 HydrophobicContact CG2-CG2 3.97Å; I104-I145 HydrophobicContact CD1-CB 4.48Å; I104-I145 HydrophobicContact CD1-CG2 4.03Å; I104-I145 HydrophobicContact CG1-CG2 4.12Å; F141-I145 HydrophobicContact CD1-CG1 4.34Å; F141-I145 HydrophobicContact CE1-CG1 3.95Å; F141-I145 HydrophobicContact CZ-CG1 4.3Å; F141-I145 WeakPolarHBondContact O-CG1 3.12Å; F141-I145 PolarHBondContact O-N 3.42Å; L142-I145 PolarHBondContact O-N 3.21Å; L143-I145 VanDerWaalsContact C-N 3.27Å; L143-I145 PolarHBondContact O-N 3.5Å; I145-V147 PolarHBondContact O-N 2.69Å; I145-K148 PolarHBondContact O-N 3.37Å; I145-H149 VanDerWaalsContact O-CB 3.31Å; I145-H149 WeakPolarHBondContact O-CB 3.49Å; I145-H149 PolarHBondContact O-CD2 3.47Å; I145-H149 PolarHBondContact O-N 2.81Å
146I98.4Very high97.4Very high0 Ų041.6 Ų41.60%023%0.234CC..Hα-helixtrans-52.9-44.2-175.2-67.5169.3000110.7L71 F73 R96 I104 L142 L143 H149 L156 N158L71-I146 HydrophobicContact CD1-CD1 4.26Å; L71-I146 HydrophobicContact CD2-CG2 4.12Å; F73-I146 HydrophobicContact CE1-CD1 3.83Å; F73-I146 HydrophobicContact CZ-CD1 3.79Å; R96-I146 VanDerWaalsContact CZ-O 3.23Å; R96-I146 PolarHBondContact NH1-O 2.94Å; R96-I146 PolarHBondContact NH2-O 2.9Å; I104-I146 HydrophobicContact CD1-CD1 4.26Å; I104-I146 HydrophobicContact CD1-CG1 3.7Å; L142-I146 WeakPolarHBondContact O-CB 3.35Å; L142-I146 WeakPolarHBondContact O-CG1 3.14Å; L142-I146 PolarHBondContact O-N 3.25Å; L143-I146 PolarHBondContact O-N 3.47Å; I146-H149 PolarHBondContact O-CD2 3.03Å; I146-L156 HydrophobicContact CG2-CB 4.15Å; I146-L156 HydrophobicContact CG2-CD1 4.38Å; I146-N158 HydrophobicContact CD1-CB 4.29Å; I146-N158 HydrophobicContact CG1-CB 4.09Å
147V97.2Very high97.4Very high1 Ų138.2 Ų38.21%0.00621%0.211CC..Hα-helixtrans-73.8-45.9-176.2170.50000112.2F63 Y65 R96 L143 I145 L156F63-V147 HydrophobicContact CE2-CG1 3.26Å; F63-V147 HydrophobicContact CZ-CG1 3.35Å; Y65-V147 HydrophobicContact CD1-CB 4.49Å; Y65-V147 HydrophobicContact CD1-CG1 3.84Å; Y65-V147 HydrophobicContact CD1-CG2 4.15Å; Y65-V147 HydrophobicContact CD2-CB 4.5Å; Y65-V147 HydrophobicContact CD2-CG2 3.67Å; Y65-V147 HydrophobicContact CE1-CG1 3.95Å; Y65-V147 HydrophobicContact CE2-CG2 4.14Å; Y65-V147 HydrophobicContact CG-CB 4.45Å; Y65-V147 HydrophobicContact CG-CG1 4.23Å; Y65-V147 HydrophobicContact CG-CG2 3.66Å; R96-V147 PolarHBondContact NH2-O 3.15Å; L143-V147 WeakPolarHBondContact O-CB 3.34Å; L143-V147 WeakPolarHBondContact O-CG2 3.47Å; L143-V147 PolarHBondContact O-N 3.3Å; I145-V147 PolarHBondContact O-N 2.69Å; V147-L156 HydrophobicContact CB-CD1 4.26Å; V147-L156 HydrophobicContact CG2-CD1 3.55Å
148K96.3Very high97.5Very high96 Ų9635.6 Ų35.642%0.41719%0.189SC..Hα-helixtrans-95.7-12.6-166-54.5-69.7179.659.40114.3E144 I145 G150E144-K148 WeakPolarHBondContact O-CB 3.38Å; E144-K148 WeakPolarHBondContact O-CG 3.48Å; E144-K148 PolarHBondContact O-N 2.03Å; E144-K148 IonicContact OE2-NZ 3.37Å; E144-K148 PolarHBondContact OE2-NZ 3.34Å; I145-K148 PolarHBondContact O-N 3.37Å; K148-G150 PolarHBondContact O-N 2.75Å
149H97.1Very high97.5Very high58 Ų5835.2 Ų35.227%0.26919%0.187SC..SBendtrans-75.5-5.7-178.684.376.2000114.3R96 C97 I145 I146R96-H149 PolarHBondContact NH1-CE1 2.82Å; R96-H149 VanDerWaalsContact NH1-CE1 3.34Å; R96-H149 PolarHBondContact NH1-NE2 3.3Å; R96-H149 VanDerWaalsContact NH1-NE2 3.15Å; C97-H149 PolarHBondContact O-CE1 3.4Å; C97-H149 VanDerWaalsContact O-CE1 3.25Å; I145-H149 VanDerWaalsContact O-CB 3.31Å; I145-H149 WeakPolarHBondContact O-CB 3.49Å; I145-H149 PolarHBondContact O-CD2 3.47Å; I145-H149 PolarHBondContact O-N 2.81Å; I146-H149 PolarHBondContact O-CD2 3.03Å
150G94.9Very high97.5Very high27 Ų2733.6 Ų33.628%0.27818%0.179SC..SBendtrans-158.6-177.3-17900000111.5K148K148-G150 PolarHBondContact O-N 2.75Å
151E93.6Very high97.5Very high88 Ų8833.1 Ų33.141%0.41118%0.175SC..  trans-62.2150.7-178.2-54.8-6613200111.9K58 R96K58-E151 WeakPolarHBondContact CD-OE2 3.2Å; K58-E151 IonicContact NZ-OE1 3.71Å; K58-E151 PolarHBondContact NZ-OE1 2.65Å; K58-E151 IonicContact NZ-OE2 2.75Å; K58-E151 PolarHBondContact NZ-OE2 2.9Å; R96-E151 PolarHBondContact NE-O 2.99Å; R96-E151 PolarHBondContact NH2-O 2.79Å
152P94.9Very high97.5Very high44 Ų4431.7 Ų31.729%0.28617%0.168SC..  trans-67.8150.2173.429.9-35.1000111.3D56 F63D56-P152 HydrophobicContact CB-CG 4.02Å; D56-P152 WeakPolarHBondContact OD2-CG 3.25Å; F63-P152 HydrophobicContact CD1-CB 4.06Å; F63-P152 HydrophobicContact CE1-CB 3.94Å; F63-P152 HydrophobicContact CG-CB 4.43Å; F63-P152 HydrophobicContact CZ-CB 4.21Å
153A96.1Very high97.5Very high25 Ų2531.8 Ų31.821%0.20717%0.169CC..  trans-153.4156.6172.700000110.6R96 Y155 L156R96-A153 HydrophobicContact CB-CB 3.54Å; A153-Y155 VanDerWaalsContact C-N 3.26Å; A153-Y155 PolarHBondContact O-N 2.83Å; A153-L156 HydrophobicContact CB-CD2 4.37Å
154P96.3Very high97.5Very high82 Ų8231.5 Ų31.553%0.53217%0.167SC..SBendtrans-53.4-39.7174.2-27.533.9000114D94D94-P154 HydrophobicContact CB-CB 4.16Å; D94-P154 HydrophobicContact CB-CG 3.95Å; D94-P154 WeakPolarHBondContact O-CD 3.11Å
155Y98.3Very high97.6Very high62 Ų6232.3 Ų32.324%0.24317%0.17CC..EExtended strand (participates in β ladder)trans-118.5112.2177.5-57.2-77000110.2P70 D94 I95 R96 A153 I259P70-Y155 HydrophobicContact CG-CD1 4.19Å; P70-Y155 HydrophobicContact CG-CE1 4.39Å; D94-Y155 HydrophobicContact CB-CD2 3.87Å; D94-Y155 HydrophobicContact CB-CE2 4.13Å; D94-Y155 WeakPolarHBondContact O-CD2 3.39Å; D94-Y155 PolarHBondContact O-N 2.94Å; I95-Y155 WeakPolarHBondContact CA-O 3.32Å; I95-Y155 HydrophobicContact CG1-CD2 4.33Å; R96-Y155 PolarHBondContact N-O 3.33Å; A153-Y155 VanDerWaalsContact C-N 3.26Å; A153-Y155 PolarHBondContact O-N 2.83Å; Y155-I259 HydrophobicContact CD1-CD1 3.87Å; Y155-I259 HydrophobicContact CD1-CG1 4.05Å; Y155-I259 HydrophobicContact CD2-CD1 3.82Å; Y155-I259 HydrophobicContact CD2-CG1 4.03Å; Y155-I259 HydrophobicContact CD2-CG2 4.13Å; Y155-I259 HydrophobicContact CE1-CD1 4.29Å; Y155-I259 HydrophobicContact CE1-CG1 3.94Å; Y155-I259 HydrophobicContact CE2-CB 4.46Å; Y155-I259 HydrophobicContact CE2-CD1 4.26Å; Y155-I259 HydrophobicContact CE2-CG1 3.95Å; Y155-I259 HydrophobicContact CE2-CG2 3.92Å; Y155-I259 HydrophobicContact CG-CD1 3.61Å; Y155-I259 HydrophobicContact CG-CG1 4.09Å
156L98.7Very high97.6Very high3 Ų330.5 Ų30.52%0.01616%0.161CC..EExtended strand (participates in β ladder)trans-88.3141.1176.7-65.1-174.8000111.3M69 L71 I72 I146 V147 A153M69-L156 HydrophobicContact CE-CB 4.24Å; M69-L156 HydrophobicContact CE-CD1 3.63Å; M69-L156 HydrophobicContact CE-CG 3.93Å; M69-L156 HydrophobicContact SD-CD1 4.46Å; L71-L156 WeakPolarHBondContact CA-O 3.37Å; L71-L156 HydrophobicContact CD2-CB 3.84Å; I72-L156 PolarHBondContact N-O 3.2Å; I146-L156 HydrophobicContact CG2-CB 4.15Å; I146-L156 HydrophobicContact CG2-CD1 4.38Å; V147-L156 HydrophobicContact CB-CD1 4.26Å; V147-L156 HydrophobicContact CG2-CD1 3.55Å; A153-L156 HydrophobicContact CB-CD2 4.37Å
157C98.9Very high97.6Very high0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-132.1150.5-176.6163.50000110I72 I95 R96 C97I72-C157 HydrophobicContact CB-CB 3.92Å; I72-C157 HydrophobicContact CD1-CB 4.39Å; I72-C157 CarbonylContact O-C 3.48Å; I72-C157 WeakPolarHBondContact O-CA 3.48Å; I95-C157 HydrophobicContact CG2-CB 4.22Å; R96-C157 WeakPolarHBondContact O-CB 3.49Å; R96-C157 PolarHBondContact O-N 2.96Å; C97-C157 WeakPolarHBondContact CA-O 3.34Å; C97-C157 HydrophobicContact CB-CB 3.67Å; C97-C157 WeakPolarHBondContact CB-SG 3.15Å; C97-C157 WeakPolarHBondContact SG-CB 3.4Å; C97-C157 CovalentContact SG-SG 2.03Å; C97-C157 PolarHBondContact SG-SG 2.96Å
158N98.9Very high97.7Very high1 Ų132.3 Ų32.31%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-131.6134.9169.7172.9-108.7000110I72 F73 I74 T101 I146 D160I72-N158 PolarHBondContact O-N 2.77Å; F73-N158 WeakPolarHBondContact CA-O 3.41Å; F73-N158 HydrophobicContact CD1-CB 4.06Å; F73-N158 HydrophobicContact CE1-CB 4.14Å; I74-N158 PolarHBondContact N-O 3.28Å; T101-N158 WeakPolarHBondContact CG2-ND2 3.17Å; I146-N158 HydrophobicContact CD1-CB 4.29Å; I146-N158 HydrophobicContact CG1-CB 4.09Å; N158-D160 PolarHBondContact ND2-OD2 3.29Å
159K98.8Very high97.8Very high0 Ų029.4 Ų29.40%016%0.159CC..EExtended strand (participates in β ladder)trans-121.7101.5171.9-174.1-82.6-50.3-158.40109.4I74 T83 R86 E100 E284I74-K159 HydrophobicContact CB-CB 4.09Å; I74-K159 HydrophobicContact CB-CG 3.98Å; I74-K159 HydrophobicContact CG2-CG 4.14Å; I74-K159 WeakPolarHBondContact O-CA 3.27Å; T83-K159 PolarHBondContact OG1-NZ 2.88Å; R86-K159 HydrophobicContact CB-CB 3.83Å; R86-K159 HydrophobicContact CB-CG 4.04Å; R86-K159 HydrophobicContact CG-CB 3.99Å; R86-K159 HydrophobicContact CG-CG 4.02Å; E100-K159 VanDerWaalsContact CD-NZ 3.28Å; E100-K159 HydrophobicContact CG-CD 4.22Å; E100-K159 VanDerWaalsContact CG-CE 3.46Å; E100-K159 IonicContact OE1-NZ 3.95Å; E100-K159 PolarHBondContact OE1-NZ 2.84Å; K159-E284 IonicContact NZ-OE2 2.79Å; K159-E284 PolarHBondContact NZ-OE2 3.45Å
160D98.9Very high97.9Very high2 Ų226.6 Ų26.61%0.01115%0.146CC..  trans-131.5112.7166.2-84.7-80.8000107.2I74 T101 R102 P105 N158 F162 A163I74-D160 PolarHBondContact O-N 3.4Å; T101-D160 WeakPolarHBondContact CB-OD2 3.37Å; T101-D160 PolarHBondContact N-OD1 3.48Å; T101-D160 PolarHBondContact N-OD2 3.31Å; T101-D160 VanDerWaalsContact N-OD2 3.13Å; T101-D160 PolarHBondContact OG1-OD2 3.16Å; R102-D160 PolarHBondContact N-OD1 2.93Å; P105-D160 HydrophobicContact CG-CB 4.04Å; N158-D160 PolarHBondContact ND2-OD2 3.29Å; D160-F162 VanDerWaalsContact C-N 3.29Å; D160-F162 PolarHBondContact O-N 3.02Å; D160-A163 HydrophobicContact CB-CB 4.03Å; D160-A163 VanDerWaalsContact O-CB 3.27Å; D160-A163 WeakPolarHBondContact O-CB 3.44Å; D160-A163 PolarHBondContact O-N 3.2Å
161P98.6Very high98.1Very high10 Ų1025.9 Ų25.97%0.06514%0.138CC..G310 helixtrans-49.2-46.1-165-3135.3000114.6G75 G76 P78G75-P161 WeakPolarHBondContact CA-O 3.05Å; G76-P161 PolarHBondContact N-O 3.42Å; G76-P161 CarbonylContact O-C 3.09Å; G76-P161 VanDerWaalsContact O-C 3.31Å; G76-P161 WeakPolarHBondContact O-CA 3.41Å; G76-P161 WeakPolarHBondContact O-CB 3.25Å; P78-P161 HydrophobicContact CG-CB 3.8Å; P78-P161 HydrophobicContact CG-CG 4.2Å
162F98.6Very high98.3Very high53 Ų5328 Ų2823%0.23214%0.142CC..G310 helixtrans-91.74.7-178.1-66.2-42.2000115.4P78 D160 L164 K165 I200 F203 A218 M222P78-F162 VanDerWaalsContact CD-CE1 3.48Å; P78-F162 HydrophobicContact CG-CE1 4.41Å; P78-F162 HydrophobicContact CG-CE2 3.98Å; P78-F162 HydrophobicContact CG-CZ 3.89Å; D160-F162 VanDerWaalsContact C-N 3.29Å; D160-F162 PolarHBondContact O-N 3.02Å; F162-L164 PolarHBondContact O-N 3.24Å; F162-K165 HydrophobicContact CB-CD 4.11Å; F162-K165 HydrophobicContact CB-CG 4.28Å; F162-K165 HydrophobicContact CD1-CD 3.95Å; F162-K165 HydrophobicContact CD1-CG 4.18Å; F162-K165 HydrophobicContact CG-CD 4.15Å; F162-K165 WeakPolarHBondContact O-CB 2.93Å; F162-K165 PolarHBondContact O-N 3.06Å; F162-I200 HydrophobicContact CE2-CG2 3.58Å; F162-I200 HydrophobicContact CZ-CG2 3.96Å; F162-F203 HydrophobicContact CZ-CE2 4.49Å; F162-A218 HydrophobicContact CE1-CB 4.22Å; F162-M222 HydrophobicContact CD1-CE 4.36Å; F162-M222 HydrophobicContact CD1-SD 4.44Å; F162-M222 HydrophobicContact CE1-CE 4.37Å
163A98.8Very high98.5Very high1 Ų125.9 Ų25.91%0.00813%0.128CC..G310 helixtrans-57.6-32.616700000110.8I104 L108 D160 K165 S166 L170I104-A163 HydrophobicContact CG2-CB 4.23Å; L108-A163 HydrophobicContact CD1-CB 4.04Å; D160-A163 HydrophobicContact CB-CB 4.03Å; D160-A163 VanDerWaalsContact O-CB 3.27Å; D160-A163 WeakPolarHBondContact O-CB 3.44Å; D160-A163 PolarHBondContact O-N 3.2Å; A163-K165 PolarHBondContact O-N 3.1Å; A163-S166 CarbonylContact O-C 3.31Å; A163-S166 PolarHBondContact O-N 3.44Å; A163-L170 HydrophobicContact CB-CD1 4.32Å
164L98.7Very high98.6Very high0 Ų024.7 Ų24.70%012%0.118CC..G310 helixtrans-71.6-3.9177-85.162.5000114.3F73 F162 S166 L167 L181 M222F73-L164 HydrophobicContact CB-CD1 4.19Å; F162-L164 PolarHBondContact O-N 3.24Å; L164-S166 PolarHBondContact O-N 3.28Å; L164-L167 HydrophobicContact CB-CB 4.42Å; L164-L167 HydrophobicContact CB-CD1 4.47Å; L164-L167 HydrophobicContact CD2-CD1 4.22Å; L164-L167 HydrophobicContact CG-CB 4.45Å; L164-L167 HydrophobicContact CG-CD1 4.07Å; L164-L167 HydrophobicContact CG-CG 4.48Å; L164-L167 VanDerWaalsContact O-CB 3.3Å; L164-L167 WeakPolarHBondContact O-CB 3.45Å; L164-L167 PolarHBondContact O-N 3.41Å; L164-L181 HydrophobicContact CD2-CB 4.09Å; L164-L181 HydrophobicContact CD2-CD1 3.89Å; L164-M222 HydrophobicContact CB-CG 4.23Å; L164-M222 HydrophobicContact CB-SD 3.97Å; L164-M222 WeakPolarHBondContact O-CG 3.42Å
165K98.5Very high98.7Very high79 Ų7923.2 Ų23.234%0.34311%0.109SC..G310 helixtrans-70.3-12.5163.4-67.3-174.767.1174.90112.6F162 A163 M222 Q225F162-K165 HydrophobicContact CB-CD 4.11Å; F162-K165 HydrophobicContact CB-CG 4.28Å; F162-K165 HydrophobicContact CD1-CD 3.95Å; F162-K165 HydrophobicContact CD1-CG 4.18Å; F162-K165 HydrophobicContact CG-CD 4.15Å; F162-K165 WeakPolarHBondContact O-CB 2.93Å; F162-K165 PolarHBondContact O-N 3.06Å; A163-K165 PolarHBondContact O-N 3.1Å; K165-M222 HydrophobicContact CG-CG 4.1Å; K165-M222 HydrophobicContact CG-SD 4.32Å; K165-Q225 PolarHBondContact O-NE2 3.1Å; K165-Q225 PolarHBondContact O-OE1 3.48Å
166S98.8Very high98.7Very high8 Ų824.5 Ų24.56%0.05612%0.12CC..G310 helixtrans-121.129.5174-600000110.8A163 L164 T168 Y169 L170A163-S166 CarbonylContact O-C 3.31Å; A163-S166 PolarHBondContact O-N 3.44Å; L164-S166 PolarHBondContact O-N 3.28Å; S166-T168 PolarHBondContact O-N 2.88Å; S166-Y169 WeakPolarHBondContact O-CB 3.19Å; S166-Y169 PolarHBondContact O-N 3.49Å; S166-L170 WeakPolarHBondContact O-CG 3.39Å; S166-L170 PolarHBondContact O-N 3.13Å
167L98.9Very high98.7Very high0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-55-50.3-178.3-175.3166.7000112L164 Y169 L170 A171 F179 Q225 C226 V229L164-L167 HydrophobicContact CB-CB 4.42Å; L164-L167 HydrophobicContact CB-CD1 4.47Å; L164-L167 HydrophobicContact CD2-CD1 4.22Å; L164-L167 HydrophobicContact CG-CB 4.45Å; L164-L167 HydrophobicContact CG-CD1 4.07Å; L164-L167 HydrophobicContact CG-CG 4.48Å; L164-L167 VanDerWaalsContact O-CB 3.3Å; L164-L167 WeakPolarHBondContact O-CB 3.45Å; L164-L167 PolarHBondContact O-N 3.41Å; L167-Y169 VanDerWaalsContact C-N 3.25Å; L167-Y169 PolarHBondContact O-N 3.13Å; L167-L170 PolarHBondContact O-N 3.36Å; L167-A171 WeakPolarHBondContact O-CB 3.31Å; L167-A171 PolarHBondContact O-N 3.28Å; L167-F179 HydrophobicContact CD1-CB 4.11Å; L167-F179 HydrophobicContact CD1-CD1 4.35Å; L167-F179 HydrophobicContact CD1-CG 4.24Å; L167-F179 HydrophobicContact CD2-CD1 4.36Å; L167-F179 HydrophobicContact CD2-CD2 4.17Å; L167-F179 HydrophobicContact CD2-CE2 4.49Å; L167-F179 HydrophobicContact CD2-CG 4.13Å; L167-F179 HydrophobicContact CG-CB 4.25Å; L167-F179 HydrophobicContact CG-CD1 3.71Å; L167-F179 HydrophobicContact CG-CD2 4.36Å; L167-F179 HydrophobicContact CG-CE1 4.18Å; L167-F179 HydrophobicContact CG-CG 3.83Å; L167-Q225 HydrophobicContact CB-CB 3.96Å; L167-Q225 HydrophobicContact CD2-CB 4.36Å; L167-C226 HydrophobicContact CD1-CB 3.94Å; L167-V229 HydrophobicContact CD2-CB 4.17Å; L167-V229 HydrophobicContact CD2-CG1 3.55Å; L167-V229 HydrophobicContact CD2-CG2 3.51Å
168T98.8Very high98.7Very high40 Ų4025.7 Ų25.725%0.24513%0.125CC..Hα-helixtrans-61.4-37.6179.6-510000111.4S166 A171 R172 Q225 E228 V229S166-T168 PolarHBondContact O-N 2.88Å; T168-A171 PolarHBondContact O-N 3.16Å; T168-R172 PolarHBondContact O-N 2.88Å; T168-Q225 VanDerWaalsContact N-OE1 3.07Å; T168-Q225 WeakPolarHBondContact OG1-CB 3.1Å; T168-Q225 WeakPolarHBondContact OG1-CG 3.49Å; T168-E228 HydrophobicContact CG2-CG 4.44Å; T168-E228 WeakPolarHBondContact CG2-OE2 3.39Å; T168-E228 PolarHBondContact OG1-OE2 3.18Å; T168-V229 HydrophobicContact CG2-CG1 4.45Å
169Y98.9Very high98.7Very high34 Ų3425.6 Ų25.613%0.13313%0.125CC..Hα-helixtrans-67-45.9176-179.2-117.1000111.9L108 K111 D135 M138 S166 L167 A171 R172 L173L108-Y169 HydrophobicContact CD2-CD1 3.9Å; L108-Y169 HydrophobicContact CD2-CE1 4.1Å; K111-Y169 WeakPolarHBondContact CE-OH 3.34Å; K111-Y169 HydrophobicContact CG-CE1 3.96Å; D135-Y169 WeakPolarHBondContact OD1-CE2 3.4Å; D135-Y169 VanDerWaalsContact OD1-CZ 3.29Å; D135-Y169 PolarHBondContact OD1-OH 2.89Å; M138-Y169 HydrophobicContact CE-CE1 4.32Å; S166-Y169 WeakPolarHBondContact O-CB 3.19Å; S166-Y169 PolarHBondContact O-N 3.49Å; L167-Y169 VanDerWaalsContact C-N 3.25Å; L167-Y169 PolarHBondContact O-N 3.13Å; Y169-A171 VanDerWaalsContact C-N 3.3Å; Y169-A171 PolarHBondContact O-N 3.33Å; Y169-R172 WeakPolarHBondContact O-CB 3.48Å; Y169-R172 PolarHBondContact O-N 3.11Å; Y169-R172 VanDerWaalsContact O-N 3.11Å; Y169-L173 HydrophobicContact CD1-CD1 4.14Å; Y169-L173 HydrophobicContact CD1-CG 4.47Å; Y169-L173 HydrophobicContact CE1-CD1 3.56Å; Y169-L173 HydrophobicContact CE1-CG 4.12Å; Y169-L173 HydrophobicContact CE2-CD1 4.48Å; Y169-L173 HydrophobicContact CE2-CD2 4.04Å; Y169-L173 HydrophobicContact CE2-CG 4.22Å; Y169-L173 WeakPolarHBondContact O-CG 3.45Å; Y169-L173 PolarHBondContact O-N 3.32Å
170L98.9Very high98.7Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-60.4-39.2175.1-73.4169.4000111.9F73 L108 L142 A163 S166 L167 R172 L173 F174 F179F73-L170 HydrophobicContact CD1-CD1 4.09Å; F73-L170 HydrophobicContact CE1-CD1 4.25Å; F73-L170 HydrophobicContact CE1-CD2 4.15Å; F73-L170 HydrophobicContact CG-CD1 4.44Å; F73-L170 HydrophobicContact CZ-CD2 4.15Å; L108-L170 HydrophobicContact CD1-CD1 4.15Å; L108-L170 HydrophobicContact CD1-CD2 4.27Å; L108-L170 HydrophobicContact CD1-CG 4.4Å; L108-L170 HydrophobicContact CD2-CD2 4.04Å; L108-L170 HydrophobicContact CD2-CG 4.36Å; L142-L170 HydrophobicContact CD1-CD2 3.89Å; A163-L170 HydrophobicContact CB-CD1 4.32Å; S166-L170 WeakPolarHBondContact O-CG 3.39Å; S166-L170 PolarHBondContact O-N 3.13Å; L167-L170 PolarHBondContact O-N 3.36Å; L170-R172 PolarHBondContact O-N 2.92Å; L170-L173 PolarHBondContact O-N 2.95Å; L170-F174 HydrophobicContact CD2-CD2 4.31Å; L170-F174 HydrophobicContact CD2-CE2 4.17Å; L170-F174 PolarHBondContact O-N 3.36Å; L170-F179 HydrophobicContact CB-CE1 3.69Å; L170-F179 HydrophobicContact CB-CZ 3.8Å; L170-F179 HydrophobicContact CD1-CE1 4.23Å
171A98.8Very high98.7Very high12 Ų1225.5 Ų25.510%0.09912%0.124CC..Hα-helixtrans-64.9-28.6177.100000112.7L167 T168 Y169 F179 V229L167-A171 WeakPolarHBondContact O-CB 3.31Å; L167-A171 PolarHBondContact O-N 3.28Å; T168-A171 PolarHBondContact O-N 3.16Å; Y169-A171 VanDerWaalsContact C-N 3.3Å; Y169-A171 PolarHBondContact O-N 3.33Å; A171-F179 HydrophobicContact CB-CE2 3.62Å; A171-F179 HydrophobicContact CB-CZ 3.88Å; A171-V229 HydrophobicContact CB-CG1 3.77Å
172R98.6Very high98.8Very high131 Ų13125 Ų2549%0.49412%0.121SC..Hα-helixtrans-77.7-40.4173.7-168.4173.466.373.2-7.6112.1D135 T168 Y169 L170D135-R172 VanDerWaalsContact CG-NH2 3.34Å; D135-R172 IonicContact OD1-NH2 3.81Å; D135-R172 PolarHBondContact OD1-NH2 2.97Å; D135-R172 IonicContact OD2-CZ 3.37Å; D135-R172 IonicContact OD2-NH1 2.75Å; D135-R172 PolarHBondContact OD2-NH1 3.38Å; D135-R172 IonicContact OD2-NH2 3.71Å; D135-R172 PolarHBondContact OD2-NH2 3Å; T168-R172 PolarHBondContact O-N 2.88Å; Y169-R172 WeakPolarHBondContact O-CB 3.48Å; Y169-R172 PolarHBondContact O-N 3.11Å; Y169-R172 VanDerWaalsContact O-N 3.11Å; L170-R172 PolarHBondContact O-N 2.92Å
173L98.6Very high98.8Very high0 Ų022.6 Ų22.60%011%0.11CC..Hα-helixtrans-67.9-37.8177-66.6-170.6000112.6D135 M138 Q139 L142 Y169 L170D135-L173 HydrophobicContact CB-CD2 3.53Å; M138-L173 HydrophobicContact CB-CD1 3.88Å; Q139-L173 HydrophobicContact CG-CB 4Å; Q139-L173 HydrophobicContact CG-CD2 4.13Å; Q139-L173 HydrophobicContact CG-CG 4.45Å; Q139-L173 PolarHBondContact NE2-O 3.32Å; Q139-L173 VanDerWaalsContact NE2-O 3.12Å; L142-L173 HydrophobicContact CD1-CD1 4.01Å; Y169-L173 HydrophobicContact CD1-CD1 4.14Å; Y169-L173 HydrophobicContact CD1-CG 4.47Å; Y169-L173 HydrophobicContact CE1-CD1 3.56Å; Y169-L173 HydrophobicContact CE1-CG 4.12Å; Y169-L173 HydrophobicContact CE2-CD1 4.48Å; Y169-L173 HydrophobicContact CE2-CD2 4.04Å; Y169-L173 HydrophobicContact CE2-CG 4.22Å; Y169-L173 WeakPolarHBondContact O-CG 3.45Å; Y169-L173 PolarHBondContact O-N 3.32Å; L170-L173 PolarHBondContact O-N 2.95Å
174F98.8Very high98.8Very high0 Ų023.4 Ų23.40%011%0.113CC..  trans-124.587.3-175-56.5-62.4000110K67 L71 F73 Q139 L142 L143 L170 N176 A177K67-F174 HydrophobicContact CB-CD1 4.23Å; K67-F174 HydrophobicContact CB-CE1 4.39Å; K67-F174 WeakPolarHBondContact O-CD1 3.31Å; L71-F174 HydrophobicContact CD1-CB 4.32Å; L71-F174 HydrophobicContact CD1-CD1 3.87Å; L71-F174 HydrophobicContact CD1-CD2 4.04Å; L71-F174 HydrophobicContact CD1-CE1 4.16Å; L71-F174 HydrophobicContact CD1-CE2 4.31Å; L71-F174 HydrophobicContact CD1-CG 3.81Å; L71-F174 HydrophobicContact CD1-CZ 4.36Å; F73-F174 AromaticContact CE2-CD2 3.98Å; F73-F174 HydrophobicContact CE2-CD2 3.98Å; F73-F174 AromaticContact CZ-CD2 3.86Å; F73-F174 HydrophobicContact CZ-CD2 3.86Å; F73-F174 HydrophobicContact CZ-CE2 4.04Å; Q139-F174 HydrophobicContact CB-CE1 4.32Å; Q139-F174 HydrophobicContact CG-CE1 4.14Å; Q139-F174 HydrophobicContact CG-CZ 4.43Å; L142-F174 HydrophobicContact CB-CE2 4.24Å; L142-F174 HydrophobicContact CB-CZ 3.98Å; L142-F174 HydrophobicContact CD1-CE2 3.88Å; L142-F174 HydrophobicContact CD1-CZ 4.24Å; L143-F174 HydrophobicContact CD1-CE1 4.04Å; L143-F174 HydrophobicContact CD2-CE1 3.94Å; L143-F174 HydrophobicContact CD2-CZ 4.44Å; L143-F174 HydrophobicContact CG-CE1 3.75Å; L143-F174 HydrophobicContact CG-CZ 4.13Å; L170-F174 HydrophobicContact CD2-CD2 4.31Å; L170-F174 HydrophobicContact CD2-CE2 4.17Å; L170-F174 PolarHBondContact O-N 3.36Å; F174-N176 PolarHBondContact O-N 2.84Å; F174-N176 VanDerWaalsContact O-N 3.11Å; F174-A177 HydrophobicContact CB-CB 3.68Å; F174-A177 VanDerWaalsContact O-CB 3.24Å; F174-A177 WeakPolarHBondContact O-CB 3.3Å; F174-A177 PolarHBondContact O-N 2.67Å
175P98.4Very high98.8Very high51 Ų5123.4 Ų23.433%0.33111%0.113SC..THydrogen-bonded Turntrans-62.7-23.9-170.3-2635.7000114.8K233P175-K233 PolarHBondContact O-NZ 3.38Å
176N98.6Very high98.8Very high89 Ų8919.6 Ų19.648%0.47610%0.097SC..THydrogen-bonded Turntrans-98.94.4178.1-68.3-24000113.3D68 F174D68-N176 WeakPolarHBondContact O-CB 3.28Å; D68-N176 PolarHBondContact O-ND2 3.49Å; F174-N176 PolarHBondContact O-N 2.84Å; F174-N176 VanDerWaalsContact O-N 3.11Å
177A98.9Very high98.8Very high1 Ų119.2 Ų19.21%0.0089%0.094CC..  trans-70.6145.5176.100000112L71 F73 F174 F179L71-A177 HydrophobicContact CB-CB 4.05Å; L71-A177 CarbonylContact O-C 3.54Å; L71-A177 WeakPolarHBondContact O-CA 3.41Å; F73-A177 HydrophobicContact CD2-CB 3.99Å; F73-A177 HydrophobicContact CE2-CB 3.89Å; F174-A177 HydrophobicContact CB-CB 3.68Å; F174-A177 VanDerWaalsContact O-CB 3.24Å; F174-A177 WeakPolarHBondContact O-CB 3.3Å; F174-A177 PolarHBondContact O-N 2.67Å; A177-F179 HydrophobicContact CB-CE2 4.2Å; A177-F179 HydrophobicContact CB-CZ 4.08Å
178K98.9Very high98.8Very high27 Ų2719.4 Ų19.412%0.11710%0.096CC..EExtended strand (participates in β ladder)trans-119.8152.2171.2-65.1-174.4-177.597.40110.4L71 I72 F73 K233 F256 L257L71-K178 PolarHBondContact O-N 2.83Å; I72-K178 WeakPolarHBondContact CA-O 3.46Å; F73-K178 PolarHBondContact N-O 3.47Å; K178-K233 CarbonylContact C-O 3.57Å; K178-K233 WeakPolarHBondContact CA-O 3.16Å; K178-F256 HydrophobicContact CB-CE1 3.98Å; K178-F256 HydrophobicContact CB-CZ 4.05Å; K178-F256 HydrophobicContact CD-CE1 4.14Å; K178-F256 HydrophobicContact CD-CZ 4.15Å; K178-F256 WeakPolarHBondContact CD-O 3.5Å; K178-F256 WeakPolarHBondContact CE-O 3.43Å; K178-F256 HydrophobicContact CG-CZ 4.36Å; K178-L257 HydrophobicContact CB-CD2 3.83Å; K178-L257 HydrophobicContact CD-CD2 3.97Å; K178-L257 PolarHBondContact NZ-O 3Å
179F98.9Very high98.8Very high0 Ų017.5 Ų17.50%08%0.084CC..EExtended strand (participates in β ladder)trans-124.1134-170.4-58.3-90000110.6F73 L167 L170 A171 A177 K233 C234 M235F73-F179 HydrophobicContact CB-CD1 3.56Å; F73-F179 HydrophobicContact CB-CE1 3.75Å; F73-F179 HydrophobicContact CD2-CD1 4.3Å; F73-F179 AromaticContact CD2-CE1 3.71Å; F73-F179 HydrophobicContact CD2-CE1 3.71Å; F73-F179 HydrophobicContact CD2-CZ 4.17Å; F73-F179 HydrophobicContact CG-CD1 4.23Å; F73-F179 AromaticContact CG-CE1 3.9Å; F73-F179 HydrophobicContact CG-CE1 3.9Å; F73-F179 CarbonylContact O-C 3.57Å; F73-F179 WeakPolarHBondContact O-CA 3.37Å; L167-F179 HydrophobicContact CD1-CB 4.11Å; L167-F179 HydrophobicContact CD1-CD1 4.35Å; L167-F179 HydrophobicContact CD1-CG 4.24Å; L167-F179 HydrophobicContact CD2-CD1 4.36Å; L167-F179 HydrophobicContact CD2-CD2 4.17Å; L167-F179 HydrophobicContact CD2-CE2 4.49Å; L167-F179 HydrophobicContact CD2-CG 4.13Å; L167-F179 HydrophobicContact CG-CB 4.25Å; L167-F179 HydrophobicContact CG-CD1 3.71Å; L167-F179 HydrophobicContact CG-CD2 4.36Å; L167-F179 HydrophobicContact CG-CE1 4.18Å; L167-F179 HydrophobicContact CG-CG 3.83Å; L170-F179 HydrophobicContact CB-CE1 3.69Å; L170-F179 HydrophobicContact CB-CZ 3.8Å; L170-F179 HydrophobicContact CD1-CE1 4.23Å; A171-F179 HydrophobicContact CB-CE2 3.62Å; A171-F179 HydrophobicContact CB-CZ 3.88Å; A177-F179 HydrophobicContact CB-CE2 4.2Å; A177-F179 HydrophobicContact CB-CZ 4.08Å; F179-K233 WeakPolarHBondContact CD2-O 3.33Å; F179-K233 PolarHBondContact N-O 3.46Å; F179-C234 HydrophobicContact CB-CB 3.99Å; F179-C234 WeakPolarHBondContact O-CA 3.15Å; F179-M235 PolarHBondContact O-N 3.39Å
180L98.9Very high98.8Very high0 Ų015.9 Ų15.90%08%0.078CC..EExtended strand (participates in β ladder)trans-114.9104.1173.6-59.4175.8000108I72 F73 I74 G75 M85 L89 M182 M235 V237 L253 F256 L257I72-L180 HydrophobicContact CG2-CD1 4.03Å; I72-L180 HydrophobicContact CG2-CG 4.41Å; F73-L180 PolarHBondContact O-N 3.09Å; I74-L180 HydrophobicContact CD1-CD1 4.34Å; I74-L180 HydrophobicContact CG1-CB 4.3Å; I74-L180 HydrophobicContact CG1-CD1 4.12Å; I74-L180 HydrophobicContact CG2-CB 4.44Å; G75-L180 PolarHBondContact N-O 2.85Å; G75-L180 VanDerWaalsContact N-O 3.09Å; M85-L180 HydrophobicContact CG-CD1 4.49Å; L89-L180 HydrophobicContact CD1-CD1 3.83Å; L180-M182 PolarHBondContact O-N 3.01Å; L180-M235 HydrophobicContact CD2-CB 4.12Å; L180-V237 HydrophobicContact CD2-CG2 4.32Å; L180-L253 HydrophobicContact CD1-CD1 3.79Å; L180-L253 HydrophobicContact CD1-CD2 4.04Å; L180-L253 HydrophobicContact CD1-CG 4.08Å; L180-L253 HydrophobicContact CD2-CD1 3.94Å; L180-L253 HydrophobicContact CD2-CG 3.91Å; L180-L253 HydrophobicContact CG-CD1 4.47Å; L180-F256 HydrophobicContact CD2-CD1 3.96Å; L180-F256 HydrophobicContact CD2-CE1 3.75Å; L180-L257 HydrophobicContact CD1-CD1 4.41Å; L180-L257 HydrophobicContact CD2-CD2 4.46Å
181L98.9Very high98.8Very high0 Ų017.2 Ų17.20%08%0.084CC..EExtended strand (participates in β ladder)trans-88.9104.9176.7177.457.7000109L164 V183 I219 M222 C226 M235 L236 V237L164-L181 HydrophobicContact CD2-CB 4.09Å; L164-L181 HydrophobicContact CD2-CD1 3.89Å; L181-V183 HydrophobicContact CG-CG2 4.25Å; L181-V183 PolarHBondContact O-N 3.15Å; L181-I219 HydrophobicContact CD1-CD1 4.18Å; L181-M222 HydrophobicContact CD1-CB 3.82Å; L181-M222 HydrophobicContact CD1-SD 4.38Å; L181-M222 HydrophobicContact CD2-CB 4.25Å; L181-C226 HydrophobicContact CD2-CB 3.84Å; L181-M235 PolarHBondContact N-O 2.93Å; L181-L236 HydrophobicContact CD2-CD1 4.24Å; L181-V237 PolarHBondContact O-N 2.9Å
182M98.9Very high98.8Very high0 Ų017.4 Ų17.40%08%0.084CC..EExtended strand (participates in β ladder)trans-70.2122.9172.6-63.1-56.2-59.300110.1I74 G75 T82 M85 L180 V237 L242I74-M182 HydrophobicContact CG2-CG 4.12Å; G75-M182 VanDerWaalsContact O-CB 3.27Å; G75-M182 WeakPolarHBondContact O-CB 3.49Å; G75-M182 PolarHBondContact O-N 3.09Å; T82-M182 HydrophobicContact CG2-CB 3.77Å; T82-M182 HydrophobicContact CG2-CG 3.69Å; M85-M182 HydrophobicContact CB-CE 4.13Å; M85-M182 HydrophobicContact CB-CG 4.25Å; M85-M182 HydrophobicContact CB-SD 3.56Å; M85-M182 VanDerWaalsContact CB-SD 3.56Å; M85-M182 HydrophobicContact CG-CG 4.48Å; M85-M182 HydrophobicContact CG-SD 3.53Å; M85-M182 VanDerWaalsContact CG-SD 3.53Å; M85-M182 HydrophobicContact SD-SD 3.96Å; L180-M182 PolarHBondContact O-N 3.01Å; M182-V237 WeakPolarHBondContact CA-O 3.23Å; M182-V237 HydrophobicContact CE-CB 4.32Å; M182-V237 HydrophobicContact CE-CG1 3.98Å; M182-V237 HydrophobicContact SD-CB 3.73Å; M182-V237 HydrophobicContact SD-CG1 3.85Å; M182-L242 HydrophobicContact CE-CD2 4Å
183V98.9Very high98.8Very high1 Ų111.1 Ų11.11%0.0066%0.061CC..EExtended strand (participates in β ladder)trans-114.1135.1175.5-176.80000107.9L181 L236 V237 H238 Y239 L324 Y326L181-V183 HydrophobicContact CG-CG2 4.25Å; L181-V183 PolarHBondContact O-N 3.15Å; V183-L236 HydrophobicContact CG2-CB 4.45Å; V183-L236 HydrophobicContact CG2-CD2 4.15Å; V183-L236 HydrophobicContact CG2-CG 3.92Å; V183-V237 PolarHBondContact N-O 2.77Å; V183-H238 CarbonylContact O-C 3.59Å; V183-H238 WeakPolarHBondContact O-CA 3.2Å; V183-Y239 PolarHBondContact O-N 2.81Å; V183-L324 HydrophobicContact CG1-CB 4.25Å; V183-L324 HydrophobicContact CG1-CD1 3.85Å; V183-L324 HydrophobicContact CG1-CD2 4.11Å; V183-L324 HydrophobicContact CG1-CG 4.29Å; V183-L324 HydrophobicContact CG2-CD2 4.48Å; V183-Y326 HydrophobicContact CG1-CE2 3.87Å
184R98.9Very high98.8Very high18 Ų1812.5 Ų12.57%0.0687%0.068CC..  trans-141.2154.1173.7-171.2178.7-173.4177.57108.1R79 G186 A188 Y239 E240 A298R79-R184 WeakPolarHBondContact O-CD 3.49Å; R79-R184 PolarHBondContact O-NH1 3.47Å; R184-G186 PolarHBondContact O-N 3.1Å; R184-G186 VanDerWaalsContact O-N 3.13Å; R184-A188 HydrophobicContact CG-CB 4.34Å; R184-Y239 HydrophobicContact CG-CD1 3.69Å; R184-Y239 HydrophobicContact CG-CG 4.04Å; R184-Y239 VanDerWaalsContact CZ-CE1 3.41Å; R184-Y239 VanDerWaalsContact NE-CD1 3.26Å; R184-Y239 VanDerWaalsContact NH2-CE1 3.3Å; R184-E240 WeakPolarHBondContact CG-OE1 3.4Å; R184-A298 PolarHBondContact NH2-O 3.3Å
185D98.9Very high98.7Very high0 Ų015.8 Ų15.80%09%0.09CC..  trans-49.1121.4169.6-167.5-38.8000110.1R187 A188 S189 E240 L321 Y326 Y335D185-R187 PolarHBondContact O-N 3.06Å; D185-R187 VanDerWaalsContact OD1-CB 3.26Å; D185-R187 WeakPolarHBondContact OD1-CB 3.31Å; D185-R187 IonicContact OD1-CZ 3.73Å; D185-R187 PolarHBondContact OD1-N 3.19Å; D185-R187 IonicContact OD1-NE 2.9Å; D185-R187 PolarHBondContact OD1-NE 3.48Å; D185-R187 IonicContact OD1-NH2 2.73Å; D185-R187 IonicContact OD2-CZ 2.9Å; D185-R187 IonicContact OD2-NE 3.65Å; D185-R187 PolarHBondContact OD2-NE 2.81Å; D185-R187 IonicContact OD2-NH2 3.93Å; D185-R187 PolarHBondContact OD2-NH2 2.95Å; D185-A188 HydrophobicContact CB-CB 4.25Å; D185-A188 WeakPolarHBondContact O-CB 3.29Å; D185-A188 PolarHBondContact O-N 3.06Å; D185-S189 PolarHBondContact O-N 2.92Å; D185-E240 PolarHBondContact N-OE1 2.94Å; D185-L321 WeakPolarHBondContact OD1-CD2 3.46Å; D185-Y326 HydrophobicContact CB-CD1 3.92Å; D185-Y326 HydrophobicContact CB-CE1 3.97Å; D185-Y326 HydrophobicContact CB-CG 4.34Å; D185-Y335 HydrophobicContact CB-CE1 4.19Å; D185-Y335 PolarHBondContact OD2-OH 2.9Å
186G98.8Very high98.6Very high0 Ų017.7 Ų17.70%09%0.091CC..Hα-helixtrans-58.3-31.7-176.500000113R184 A188 S189 V190R184-G186 PolarHBondContact O-N 3.1Å; R184-G186 VanDerWaalsContact O-N 3.13Å; G186-A188 VanDerWaalsContact C-N 3.34Å; G186-A188 PolarHBondContact O-N 3.2Å; G186-S189 PolarHBondContact O-N 3.3Å; G186-V190 WeakPolarHBondContact O-CB 3.41Å; G186-V190 VanDerWaalsContact O-CG2 3.29Å; G186-V190 WeakPolarHBondContact O-CG2 3.33Å; G186-V190 PolarHBondContact O-N 2.91Å
187R98.9Very high98.6Very high0 Ų021.2 Ų21.20%010%0.102CC..Hα-helixtrans-63.7-40.6175.7-64.7169.3-66.3-162.4-4.8111.2D185 H191 L212 W302 I306 M314 L321 D327 P328 A330D185-R187 PolarHBondContact O-N 3.06Å; D185-R187 VanDerWaalsContact OD1-CB 3.26Å; D185-R187 WeakPolarHBondContact OD1-CB 3.31Å; D185-R187 IonicContact OD1-CZ 3.73Å; D185-R187 PolarHBondContact OD1-N 3.19Å; D185-R187 IonicContact OD1-NE 2.9Å; D185-R187 PolarHBondContact OD1-NE 3.48Å; D185-R187 IonicContact OD1-NH2 2.73Å; D185-R187 IonicContact OD2-CZ 2.9Å; D185-R187 IonicContact OD2-NE 3.65Å; D185-R187 PolarHBondContact OD2-NE 2.81Å; D185-R187 IonicContact OD2-NH2 3.93Å; D185-R187 PolarHBondContact OD2-NH2 2.95Å; R187-H191 VanDerWaalsContact O-CB 3.25Å; R187-H191 WeakPolarHBondContact O-CB 3.32Å; R187-H191 PolarHBondContact O-N 2.85Å; R187-L212 HydrophobicContact CG-CD2 4.36Å; R187-W302 HydrophobicContact CB-CD2 3.68Å; R187-W302 HydrophobicContact CB-CE3 3.64Å; R187-W302 HydrophobicContact CB-CG 4.26Å; R187-W302 HydrophobicContact CB-CH2 4.13Å; R187-W302 HydrophobicContact CB-CZ2 4.15Å; R187-W302 HydrophobicContact CB-CZ3 3.88Å; R187-W302 VanDerWaalsContact CD-CH2 3.43Å; R187-W302 HydrophobicContact CG-CE3 4.41Å; R187-W302 HydrophobicContact CG-CH2 4.36Å; R187-W302 HydrophobicContact CG-CZ3 4.19Å; R187-I306 HydrophobicContact CB-CD1 3.61Å; R187-I306 HydrophobicContact CG-CD1 3.69Å; R187-M314 HydrophobicContact CG-CE 3.73Å; R187-M314 HydrophobicContact CG-SD 3.73Å; R187-L321 HydrophobicContact CG-CD1 4.4Å; R187-D327 PolarHBondContact NH1-O 3.17Å; R187-D327 PolarHBondContact NH2-O 2.9Å; R187-P328 PolarHBondContact NH1-O 3.28Å; R187-A330 PolarHBondContact NH1-O 2.91Å
188A98.8Very high98.4Very high4 Ų421.9 Ų21.93%0.03311%0.106CC..Hα-helixtrans-69.8-43.9176.500000112.3R184 D185 G186 S192 W302R184-A188 HydrophobicContact CG-CB 4.34Å; D185-A188 HydrophobicContact CB-CB 4.25Å; D185-A188 WeakPolarHBondContact O-CB 3.29Å; D185-A188 PolarHBondContact O-N 3.06Å; G186-A188 VanDerWaalsContact C-N 3.34Å; G186-A188 PolarHBondContact O-N 3.2Å; A188-S192 WeakPolarHBondContact O-CB 3.16Å; A188-S192 PolarHBondContact O-N 2.99Å; A188-W302 HydrophobicContact CB-CG 4.27Å
189S98.8Very high98.3Very high0 Ų026.6 Ų26.60%014%0.137CC..Hα-helixtrans-64.3-43.6177.8-71.70000112.1R79 S80 D185 G186 S192 M193R79-S189 PolarHBondContact O-OG 2.6Å; S80-S189 PolarHBondContact OG-OG 3.13Å; S80-S189 VanDerWaalsContact OG-OG 3.05Å; D185-S189 PolarHBondContact O-N 2.92Å; G186-S189 PolarHBondContact O-N 3.3Å; S189-S192 WeakPolarHBondContact O-CB 3.37Å; S189-S192 PolarHBondContact O-N 3.24Å; S189-M193 PolarHBondContact O-N 2.96Å
190V98.8Very high98.1Very high0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-66.1-48.1177169.10000111.7G186 S192 M193 I194 Y208 C211 L212 W215G186-V190 WeakPolarHBondContact O-CB 3.41Å; G186-V190 VanDerWaalsContact O-CG2 3.29Å; G186-V190 WeakPolarHBondContact O-CG2 3.33Å; G186-V190 PolarHBondContact O-N 2.91Å; V190-S192 PolarHBondContact O-N 3.18Å; V190-M193 HydrophobicContact CG2-CE 4.17Å; V190-M193 WeakPolarHBondContact O-CG 3.29Å; V190-M193 PolarHBondContact O-N 2.75Å; V190-I194 HydrophobicContact CG1-CD1 3.65Å; V190-I194 HydrophobicContact CG1-CG1 4.34Å; V190-I194 WeakPolarHBondContact O-CG1 3.34Å; V190-I194 PolarHBondContact O-N 3.49Å; V190-Y208 HydrophobicContact CG1-CD1 3.68Å; V190-Y208 HydrophobicContact CG1-CE1 4.17Å; V190-Y208 HydrophobicContact CG1-CG 4.42Å; V190-C211 HydrophobicContact CB-CB 4.29Å; V190-C211 HydrophobicContact CG1-CB 3.44Å; V190-C211 VanDerWaalsContact CG1-CB 3.44Å; V190-C211 HydrophobicContact CG2-CB 3.93Å; V190-L212 HydrophobicContact CB-CD2 4.21Å; V190-L212 HydrophobicContact CB-CG 4.25Å; V190-L212 HydrophobicContact CG1-CG 4.22Å; V190-L212 HydrophobicContact CG2-CD2 3.82Å; V190-L212 HydrophobicContact CG2-CG 3.93Å; V190-W215 HydrophobicContact CG2-CB 4.03Å
191H98.8Very high97.7Very high28 Ų2832.5 Ų32.513%0.1318%0.183CC..Hα-helixtrans-57.4-40174.8177.661000111.8R187 S195 Y208 W302R187-H191 VanDerWaalsContact O-CB 3.25Å; R187-H191 WeakPolarHBondContact O-CB 3.32Å; R187-H191 PolarHBondContact O-N 2.85Å; H191-S195 VanDerWaalsContact O-CB 3.25Å; H191-S195 WeakPolarHBondContact O-CB 3.43Å; H191-S195 PolarHBondContact O-N 2.94Å; H191-S195 PolarHBondContact O-OG 2.8Å; H191-Y208 HydrophobicContact CB-CE1 4.19Å; H191-Y208 PolarHBondContact ND1-OH 3.39Å; H191-W302 HydrophobicContact CB-CB 3.52Å
192S98.5Very high97.4Very high15 Ų1535.2 Ų35.211%0.10521%0.212CC..Hα-helixtrans-64.4-41.9178.3-177.40000113R79 A188 S189 V190 R196R79-S192 PolarHBondContact NE-OG 2.86Å; R79-S192 PolarHBondContact NH2-OG 3.34Å; A188-S192 WeakPolarHBondContact O-CB 3.16Å; A188-S192 PolarHBondContact O-N 2.99Å; S189-S192 WeakPolarHBondContact O-CB 3.37Å; S189-S192 PolarHBondContact O-N 3.24Å; V190-S192 PolarHBondContact O-N 3.18Å; S192-R196 WeakPolarHBondContact O-CB 3.21Å; S192-R196 PolarHBondContact O-N 3.23Å
193M98.1Very high97.4Very high0 Ų036.5 Ų36.50%022%0.217CC..Hα-helixtrans-71.2-38.8177.965.3-176.876.100112.2V77 R79 S189 V190 K197 V198 I200 F203 L205 C211V77-M193 HydrophobicContact CG1-CE 4.47Å; R79-M193 HydrophobicContact CG-CB 3.92Å; S189-M193 PolarHBondContact O-N 2.96Å; V190-M193 HydrophobicContact CG2-CE 4.17Å; V190-M193 WeakPolarHBondContact O-CG 3.29Å; V190-M193 PolarHBondContact O-N 2.75Å; M193-K197 CarbonylContact O-C 3.52Å; M193-K197 WeakPolarHBondContact O-CA 3.43Å; M193-K197 PolarHBondContact O-N 3.43Å; M193-V198 HydrophobicContact CB-CB 4.36Å; M193-V198 PolarHBondContact O-N 2.92Å; M193-I200 HydrophobicContact CB-CD1 4.47Å; M193-I200 HydrophobicContact CE-CD1 4Å; M193-I200 HydrophobicContact SD-CD1 3.97Å; M193-F203 HydrophobicContact CE-CD1 4.37Å; M193-F203 HydrophobicContact CE-CE1 4.16Å; M193-F203 HydrophobicContact SD-CD1 3.63Å; M193-F203 HydrophobicContact SD-CE1 4.03Å; M193-F203 HydrophobicContact SD-CG 4.5Å; M193-L205 HydrophobicContact CB-CD2 4.38Å; M193-L205 HydrophobicContact CG-CD2 4.16Å; M193-L205 HydrophobicContact SD-CD2 4.46Å; M193-C211 HydrophobicContact SD-CB 4.22Å
194I98.5Very high97.3Very high29 Ų2939.9 Ų39.915%0.14924%0.235CC..Hα-helixtrans-68.3-56.7179.2-67.8176.3000110.4V190 R196 K197 Y208 C211V190-I194 HydrophobicContact CG1-CD1 3.65Å; V190-I194 HydrophobicContact CG1-CG1 4.34Å; V190-I194 WeakPolarHBondContact O-CG1 3.34Å; V190-I194 PolarHBondContact O-N 3.49Å; I194-R196 VanDerWaalsContact C-N 3.26Å; I194-R196 PolarHBondContact O-N 2.95Å; I194-K197 PolarHBondContact O-N 3.39Å; I194-Y208 HydrophobicContact CD1-CD1 3.77Å; I194-Y208 HydrophobicContact CD1-CD2 3.66Å; I194-Y208 HydrophobicContact CD1-CE1 3.89Å; I194-Y208 HydrophobicContact CD1-CE2 3.79Å; I194-Y208 HydrophobicContact CD1-CG 3.66Å; I194-Y208 HydrophobicContact CG2-CE2 4.13Å; I194-C211 HydrophobicContact CD1-CB 4.3Å
195S97.9Very high97.2Very high68 Ų6840.6 Ų40.648%0.47624%0.24SC..Hα-helixtrans-61.4-33.7-175.958.50000113.3H191H191-S195 VanDerWaalsContact O-CB 3.25Å; H191-S195 WeakPolarHBondContact O-CB 3.43Å; H191-S195 PolarHBondContact O-N 2.94Å; H191-S195 PolarHBondContact O-OG 2.8Å
196R96.8Very high97.2Very high92 Ų9247.9 Ų47.935%0.34728%0.279SS..THydrogen-bonded Turntrans-93.60.9176.8-64.9-174.6169.9-102.16.3113.3S192 I194 V198 R285 D288S192-R196 WeakPolarHBondContact O-CB 3.21Å; S192-R196 PolarHBondContact O-N 3.23Å; I194-R196 VanDerWaalsContact C-N 3.26Å; I194-R196 PolarHBondContact O-N 2.95Å; R196-V198 VanDerWaalsContact C-N 3.28Å; R196-V198 HydrophobicContact CB-CG2 3.9Å; R196-V198 PolarHBondContact O-N 2.88Å; R196-R285 PolarHBondContact O-NH1 3.22Å; R196-R285 PolarHBondContact O-NH2 3.36Å; R196-D288 IonicContact CZ-OD2 3.71Å; R196-D288 IonicContact NH1-OD1 2.69Å; R196-D288 IonicContact NH1-OD2 3.22Å; R196-D288 PolarHBondContact NH1-OD2 3.49Å; R196-D288 IonicContact NH2-OD2 2.88Å
197K97.3Very high97.2Very high162 Ų16249.6 Ų49.670%0.70429%0.291SS*.THydrogen-bonded Turntrans50.747.9-176.2-53.7-177.9179.6-176.80112M193 I194 T199 R285M193-K197 CarbonylContact O-C 3.52Å; M193-K197 WeakPolarHBondContact O-CA 3.43Å; M193-K197 PolarHBondContact O-N 3.43Å; I194-K197 PolarHBondContact O-N 3.39Å; K197-T199 PolarHBondContact O-N 3.46Å; K197-R285 PolarHBondContact O-NH1 2.81Å
198V95.9Very high97.2Very high16 Ų1651.2 Ų51.210%0.09730%0.298CS..  trans-85.8104.2176-179.20000107.8M193 R196 R285M193-V198 HydrophobicContact CB-CB 4.36Å; M193-V198 PolarHBondContact O-N 2.92Å; R196-V198 VanDerWaalsContact C-N 3.28Å; R196-V198 HydrophobicContact CB-CG2 3.9Å; R196-V198 PolarHBondContact O-N 2.88Å; V198-R285 HydrophobicContact CG1-CG 4.33Å; V198-R285 HydrophobicContact CG2-CB 3.97Å; V198-R285 HydrophobicContact CG2-CG 4.13Å
199T95.3Very high97.2Very high125 Ų12554.7 Ų54.777%0.76731%0.31SS*.  trans-71130.6-176.251.80000111.5K197 L205K197-T199 PolarHBondContact O-N 3.46Å; T199-L205 HydrophobicContact CG2-CD1 4.15Å
200I95.1Very high97.2Very high18 Ų1856.6 Ų56.69%0.09232%0.32CS..  trans-131.2126.2176.1-57172.6000106.7P78 F162 M193 G202 F203P78-I200 HydrophobicContact CB-CD1 3.79Å; P78-I200 HydrophobicContact CG-CD1 3.88Å; P78-I200 HydrophobicContact CG-CG1 4.41Å; F162-I200 HydrophobicContact CE2-CG2 3.58Å; F162-I200 HydrophobicContact CZ-CG2 3.96Å; M193-I200 HydrophobicContact CB-CD1 4.47Å; M193-I200 HydrophobicContact CE-CD1 4Å; M193-I200 HydrophobicContact SD-CD1 3.97Å; I200-G202 PolarHBondContact O-N 3.22Å; I200-F203 HydrophobicContact CB-CB 4.23Å; I200-F203 HydrophobicContact CB-CD2 3.84Å; I200-F203 HydrophobicContact CB-CE2 4.45Å; I200-F203 HydrophobicContact CB-CG 4.1Å; I200-F203 HydrophobicContact CG2-CD2 3.49Å; I200-F203 VanDerWaalsContact CG2-CD2 3.49Å; I200-F203 HydrophobicContact CG2-CE2 3.72Å; I200-F203 HydrophobicContact CG2-CG 4.24Å; I200-F203 PolarHBondContact O-N 2.79Å
201A91.8Very high97.2Very high106 Ų10656.6 Ų56.688%0.87632%0.32SS*.THydrogen-bonded Turntrans-56.2125-177.500000111.1
202G92.5Very high97.2Very high58 Ų5855.2 Ų55.260%0.59831%0.314SS*.THydrogen-bonded Turntrans85.33.2-179.900000116I200 K214I200-G202 PolarHBondContact O-N 3.22Å; G202-K214 PolarHBondContact O-NZ 2.97Å
203F97.4Very high97.2Very high27 Ų2757.6 Ų57.612%0.11833%0.328CS..  trans-102125.8171.5-75.3-116.1000109.9F162 M193 I200 L205 C211 K214 W215F162-F203 HydrophobicContact CZ-CE2 4.49Å; M193-F203 HydrophobicContact CE-CD1 4.37Å; M193-F203 HydrophobicContact CE-CE1 4.16Å; M193-F203 HydrophobicContact SD-CD1 3.63Å; M193-F203 HydrophobicContact SD-CE1 4.03Å; M193-F203 HydrophobicContact SD-CG 4.5Å; I200-F203 HydrophobicContact CB-CB 4.23Å; I200-F203 HydrophobicContact CB-CD2 3.84Å; I200-F203 HydrophobicContact CB-CE2 4.45Å; I200-F203 HydrophobicContact CB-CG 4.1Å; I200-F203 HydrophobicContact CG2-CD2 3.49Å; I200-F203 VanDerWaalsContact CG2-CD2 3.49Å; I200-F203 HydrophobicContact CG2-CE2 3.72Å; I200-F203 HydrophobicContact CG2-CG 4.24Å; I200-F203 PolarHBondContact O-N 2.79Å; F203-L205 PolarHBondContact O-N 3.47Å; F203-C211 HydrophobicContact CD1-CB 4.21Å; F203-C211 WeakPolarHBondContact CE1-O 3.46Å; F203-K214 HydrophobicContact CD1-CB 3.77Å; F203-K214 HydrophobicContact CD2-CB 4.09Å; F203-K214 HydrophobicContact CE1-CB 3.41Å; F203-K214 VanDerWaalsContact CE1-CB 3.41Å; F203-K214 HydrophobicContact CE2-CB 3.76Å; F203-K214 HydrophobicContact CG-CB 4.09Å; F203-K214 HydrophobicContact CZ-CB 3.41Å; F203-K214 VanDerWaalsContact CZ-CB 3.41Å; F203-W215 HydrophobicContact CE1-CB 4.49Å
204D97.4Very high97.2Very high72 Ų7260.9 Ų60.939%0.38534%0.342SS..  trans-85.6105.8170.1177.117.5000110.4N206 S207 D210 C211D204-N206 PolarHBondContact O-N 2.91Å; D204-N206 VanDerWaalsContact O-N 3.15Å; D204-N206 WeakPolarHBondContact OD1-CB 3.33Å; D204-N206 PolarHBondContact OD1-N 3.16Å; D204-N206 PolarHBondContact OD1-ND2 2.9Å; D204-S207 PolarHBondContact O-N 2.91Å; D204-S207 VanDerWaalsContact O-N 3.09Å; D204-D210 HydrophobicContact CB-CB 4.25Å; D204-D210 PolarHBondContact N-OD2 3.43Å; D204-C211 PolarHBondContact O-SG 2.75Å
205L97.7Very high97.2Very high32 Ų3259.5 Ų59.517%0.16834%0.335CS..THydrogen-bonded Turntrans-69.1-8.2-178.2-59.6-175.1000113.7M193 T199 F203 S207M193-L205 HydrophobicContact CB-CD2 4.38Å; M193-L205 HydrophobicContact CG-CD2 4.16Å; M193-L205 HydrophobicContact SD-CD2 4.46Å; T199-L205 HydrophobicContact CG2-CD1 4.15Å; F203-L205 PolarHBondContact O-N 3.47Å; L205-S207 VanDerWaalsContact C-N 3.34Å
206N98.1Very high97.3Very high153 Ų15357 Ų5782%0.81832%0.316SS*.THydrogen-bonded Turntrans-86.8-7.7173.8-55.5-56.2000112.5D204D204-N206 PolarHBondContact O-N 2.91Å; D204-N206 VanDerWaalsContact O-N 3.15Å; D204-N206 WeakPolarHBondContact OD1-CB 3.33Å; D204-N206 PolarHBondContact OD1-N 3.16Å; D204-N206 PolarHBondContact OD1-ND2 2.9Å
207S98.6Very high97.4Very high37 Ų3761.1 Ų61.126%0.25933%0.332SS..  trans-127.3109.6-175.8-179.90000111.8D204 L205 R209 D210 C211D204-S207 PolarHBondContact O-N 2.91Å; D204-S207 VanDerWaalsContact O-N 3.09Å; L205-S207 VanDerWaalsContact C-N 3.34Å; S207-R209 PolarHBondContact O-N 2.9Å; S207-D210 PolarHBondContact O-N 3.4Å; S207-D210 PolarHBondContact OG-N 2.96Å; S207-D210 VanDerWaalsContact OG-N 3.11Å; S207-C211 WeakPolarHBondContact O-CB 3.42Å; S207-C211 PolarHBondContact O-N 3.27Å
208Y98.8Very high97.5Very high34 Ų3453.8 Ų53.813%0.13330%0.301CS..Hα-helixtrans-57.8-37.2170.2-86.3-93.5000111.6V190 H191 I194 L212 K305 I306 P307V190-Y208 HydrophobicContact CG1-CD1 3.68Å; V190-Y208 HydrophobicContact CG1-CE1 4.17Å; V190-Y208 HydrophobicContact CG1-CG 4.42Å; H191-Y208 HydrophobicContact CB-CE1 4.19Å; H191-Y208 PolarHBondContact ND1-OH 3.39Å; I194-Y208 HydrophobicContact CD1-CD1 3.77Å; I194-Y208 HydrophobicContact CD1-CD2 3.66Å; I194-Y208 HydrophobicContact CD1-CE1 3.89Å; I194-Y208 HydrophobicContact CD1-CE2 3.79Å; I194-Y208 HydrophobicContact CD1-CG 3.66Å; I194-Y208 HydrophobicContact CG2-CE2 4.13Å; Y208-L212 VanDerWaalsContact O-CB 3.29Å; Y208-L212 WeakPolarHBondContact O-CB 3.27Å; Y208-L212 VanDerWaalsContact O-CG 3.32Å; Y208-L212 WeakPolarHBondContact O-CG 3.46Å; Y208-L212 PolarHBondContact O-N 3.08Å; Y208-K305 PolarHBondContact OH-O 3.22Å; Y208-I306 HydrophobicContact CD1-CB 4.49Å; Y208-I306 HydrophobicContact CD1-CG1 3.94Å; Y208-I306 HydrophobicContact CD1-CG2 4.41Å; Y208-I306 HydrophobicContact CE1-CG1 3.9Å; Y208-P307 HydrophobicContact CD2-CG 4.21Å
209R98.8Very high97.6Very high76 Ų7653.1 Ų53.129%0.28730%0.297SS..Hα-helixtrans-61.9-52.9178.3-174.3173.7-67.7-96.71.1111.1S207 C211 L212 T213 D309 V310 D313 I317S207-R209 PolarHBondContact O-N 2.9Å; R209-C211 PolarHBondContact O-N 2.84Å; R209-L212 PolarHBondContact O-N 2.9Å; R209-T213 PolarHBondContact O-N 2.97Å; R209-T213 PolarHBondContact O-OG1 2.92Å; R209-T213 VanDerWaalsContact O-OG1 3.08Å; R209-D309 IonicContact CZ-OD2 3.31Å; R209-D309 IonicContact NE-OD2 2.81Å; R209-D309 PolarHBondContact NH2-O 3.15Å; R209-D309 IonicContact NH2-OD2 2.71Å; R209-D309 PolarHBondContact NH2-OD2 3.28Å; R209-V310 HydrophobicContact CB-CG2 4.02Å; R209-D313 IonicContact CZ-OD2 3.92Å; R209-D313 VanDerWaalsContact CZ-OD2 3.22Å; R209-D313 IonicContact NH1-OD2 3.61Å; R209-D313 PolarHBondContact NH1-OD2 2.94Å; R209-D313 IonicContact NH2-OD2 3.21Å; R209-D313 PolarHBondContact NH2-OD2 2.94Å; R209-I317 HydrophobicContact CG-CD1 3.99Å; R209-I317 HydrophobicContact CG-CG1 4.39Å
210D98.8Very high97.8Very high40 Ų4050.5 Ų50.521%0.21428%0.276CS..Hα-helixtrans-60.4-48.4177.7-179.170.3000110.9D204 S207 L212 T213 K214D204-D210 HydrophobicContact CB-CB 4.25Å; D204-D210 PolarHBondContact N-OD2 3.43Å; S207-D210 PolarHBondContact O-N 3.4Å; S207-D210 PolarHBondContact OG-N 2.96Å; S207-D210 VanDerWaalsContact OG-N 3.11Å; D210-L212 VanDerWaalsContact C-N 3.31Å; D210-L212 PolarHBondContact O-N 3.44Å; D210-T213 PolarHBondContact O-N 3.28Å; D210-K214 WeakPolarHBondContact O-CB 3.48Å; D210-K214 WeakPolarHBondContact O-CG 3.22Å; D210-K214 PolarHBondContact O-N 2.97Å; D210-K214 IonicContact OD1-NZ 2.73Å; D210-K214 PolarHBondContact OD1-NZ 3.04Å; D210-K214 IonicContact OD2-NZ 3.11Å; D210-K214 PolarHBondContact OD2-NZ 3.34Å
211C98.8Very high97.9Very high0 Ų051.8 Ų51.80%029%0.285CS..Hα-helixtrans-59.5-39.7179.7-76.70000112.7V190 M193 I194 F203 D204 S207 R209 W215V190-C211 HydrophobicContact CB-CB 4.29Å; V190-C211 HydrophobicContact CG1-CB 3.44Å; V190-C211 VanDerWaalsContact CG1-CB 3.44Å; V190-C211 HydrophobicContact CG2-CB 3.93Å; M193-C211 HydrophobicContact SD-CB 4.22Å; I194-C211 HydrophobicContact CD1-CB 4.3Å; F203-C211 HydrophobicContact CD1-CB 4.21Å; F203-C211 WeakPolarHBondContact CE1-O 3.46Å; D204-C211 PolarHBondContact O-SG 2.75Å; S207-C211 WeakPolarHBondContact O-CB 3.42Å; S207-C211 PolarHBondContact O-N 3.27Å; R209-C211 PolarHBondContact O-N 2.84Å; C211-W215 WeakPolarHBondContact O-CB 3.44Å; C211-W215 PolarHBondContact O-N 3.38Å
212L98.9Very high98.3Very high0 Ų046.7 Ų46.70%024%0.243CC..Hα-helixtrans-69.6-42.9176.1-79.6164.5000112.1R187 V190 Y208 R209 D210 K214 W215 N216 V310 M314 I317R187-L212 HydrophobicContact CG-CD2 4.36Å; V190-L212 HydrophobicContact CB-CD2 4.21Å; V190-L212 HydrophobicContact CB-CG 4.25Å; V190-L212 HydrophobicContact CG1-CG 4.22Å; V190-L212 HydrophobicContact CG2-CD2 3.82Å; V190-L212 HydrophobicContact CG2-CG 3.93Å; Y208-L212 VanDerWaalsContact O-CB 3.29Å; Y208-L212 WeakPolarHBondContact O-CB 3.27Å; Y208-L212 VanDerWaalsContact O-CG 3.32Å; Y208-L212 WeakPolarHBondContact O-CG 3.46Å; Y208-L212 PolarHBondContact O-N 3.08Å; R209-L212 PolarHBondContact O-N 2.9Å; D210-L212 VanDerWaalsContact C-N 3.31Å; D210-L212 PolarHBondContact O-N 3.44Å; L212-K214 VanDerWaalsContact C-N 3.31Å; L212-K214 PolarHBondContact O-N 3.35Å; L212-W215 PolarHBondContact O-N 3.45Å; L212-N216 WeakPolarHBondContact O-CB 3.44Å; L212-N216 PolarHBondContact O-N 2.76Å; L212-V310 HydrophobicContact CD1-CG1 3.45Å; L212-V310 VanDerWaalsContact CD1-CG1 3.45Å; L212-M314 HydrophobicContact CD1-CE 3.87Å; L212-M314 HydrophobicContact CD1-SD 3.89Å; L212-M314 HydrophobicContact CD2-SD 4.3Å; L212-I317 HydrophobicContact CB-CG2 3.49Å; L212-I317 VanDerWaalsContact CB-CG2 3.49Å
213T98.9Very high98.6Very high64 Ų6446.6 Ų46.639%0.39323%0.225SC..Hα-helixtrans-59.8-43.7174.9-61.90000111.2R209 D210 N216 R217R209-T213 PolarHBondContact O-N 2.97Å; R209-T213 PolarHBondContact O-OG1 2.92Å; R209-T213 VanDerWaalsContact O-OG1 3.08Å; D210-T213 PolarHBondContact O-N 3.28Å; T213-N216 WeakPolarHBondContact O-CB 3.2Å; T213-N216 PolarHBondContact O-N 2.87Å; T213-R217 PolarHBondContact O-N 2.02Å
214K98.7Very high98.7Very high69 Ų6949.5 Ų49.530%0.324%0.242SC..Hα-helixtrans-72.1-37.4179.4-63.2-75.917449.70111.9G202 F203 D210 L212 N216 A218G202-K214 PolarHBondContact O-NZ 2.97Å; F203-K214 HydrophobicContact CD1-CB 3.77Å; F203-K214 HydrophobicContact CD2-CB 4.09Å; F203-K214 HydrophobicContact CE1-CB 3.41Å; F203-K214 VanDerWaalsContact CE1-CB 3.41Å; F203-K214 HydrophobicContact CE2-CB 3.76Å; F203-K214 HydrophobicContact CG-CB 4.09Å; F203-K214 HydrophobicContact CZ-CB 3.41Å; F203-K214 VanDerWaalsContact CZ-CB 3.41Å; D210-K214 WeakPolarHBondContact O-CB 3.48Å; D210-K214 WeakPolarHBondContact O-CG 3.22Å; D210-K214 PolarHBondContact O-N 2.97Å; D210-K214 IonicContact OD1-NZ 2.73Å; D210-K214 PolarHBondContact OD1-NZ 3.04Å; D210-K214 IonicContact OD2-NZ 3.11Å; D210-K214 PolarHBondContact OD2-NZ 3.34Å; L212-K214 VanDerWaalsContact C-N 3.31Å; L212-K214 PolarHBondContact O-N 3.35Å; K214-N216 VanDerWaalsContact C-N 3.34Å; K214-A218 VanDerWaalsContact O-CB 3.3Å; K214-A218 WeakPolarHBondContact O-CB 3.2Å; K214-A218 PolarHBondContact O-N 3Å
215W98.9Very high98.7Very high1 Ų147.3 Ų47.30%0.00423%0.229CC..Hα-helixtrans-56.8-49.6169.1169.193000110.3V190 F203 C211 L212 R217 A218 I219 A318 M320 L321 L324V190-W215 HydrophobicContact CG2-CB 4.03Å; F203-W215 HydrophobicContact CE1-CB 4.49Å; C211-W215 WeakPolarHBondContact O-CB 3.44Å; C211-W215 PolarHBondContact O-N 3.38Å; L212-W215 PolarHBondContact O-N 3.45Å; W215-R217 PolarHBondContact O-N 3.08Å; W215-A218 PolarHBondContact O-N 3.45Å; W215-I219 HydrophobicContact CD2-CG2 4.19Å; W215-I219 HydrophobicContact CE3-CG2 4.25Å; W215-I219 HydrophobicContact CH2-CG2 3.9Å; W215-I219 HydrophobicContact CZ2-CB 4.45Å; W215-I219 HydrophobicContact CZ2-CG2 3.84Å; W215-I219 HydrophobicContact CZ3-CG2 4.09Å; W215-I219 WeakPolarHBondContact O-CG2 3.45Å; W215-I219 PolarHBondContact O-N 2.94Å; W215-A318 HydrophobicContact CE3-CB 4.27Å; W215-A318 HydrophobicContact CZ3-CB 4Å; W215-M320 HydrophobicContact CH2-CB 4.1Å; W215-M320 HydrophobicContact CZ3-CB 4.04Å; W215-L321 HydrophobicContact CH2-CD2 3.74Å; W215-L321 HydrophobicContact CH2-CG 4.05Å; W215-L321 HydrophobicContact CZ2-CD2 4.46Å; W215-L321 HydrophobicContact CZ3-CD2 4.13Å; W215-L321 HydrophobicContact CZ3-CG 4.04Å; W215-L324 HydrophobicContact CH2-CD1 4.34Å; W215-L324 HydrophobicContact CZ2-CD1 4.47Å
216N98.9Very high98.8Very high15 Ų1545.8 Ų45.88%0.0822%0.221CC..Hα-helixtrans-58-50.8-178.2-17881.6000111L212 T213 K214 A218 I219 E220 A318 P319 M320L212-N216 WeakPolarHBondContact O-CB 3.44Å; L212-N216 PolarHBondContact O-N 2.76Å; T213-N216 WeakPolarHBondContact O-CB 3.2Å; T213-N216 PolarHBondContact O-N 2.87Å; K214-N216 VanDerWaalsContact C-N 3.34Å; N216-A218 VanDerWaalsContact C-N 3.32Å; N216-A218 PolarHBondContact O-N 3.03Å; N216-I219 WeakPolarHBondContact O-CG2 3.42Å; N216-I219 PolarHBondContact O-N 3.23Å; N216-E220 WeakPolarHBondContact O-CB 3.37Å; N216-E220 PolarHBondContact O-N 3.19Å; N216-A318 HydrophobicContact CB-CB 4.43Å; N216-A318 WeakPolarHBondContact OD1-CA 3.15Å; N216-P319 VanDerWaalsContact OD1-CD 3.28Å; N216-P319 WeakPolarHBondContact OD1-CD 3.42Å; N216-M320 WeakPolarHBondContact OD1-CB 3.38Å; N216-M320 VanDerWaalsContact OD1-CG 3.23Å; N216-M320 WeakPolarHBondContact OD1-CG 3.46Å; N216-M320 PolarHBondContact OD1-N 3.37Å
217R98.8Very high98.8Very high179 Ų17942.8 Ų42.868%0.67520%0.203SC*.Hα-helixtrans-61.6-39.9178.4-174.3175.5179.7168.21.8112.7T213 W215 T221T213-R217 PolarHBondContact O-N 2.02Å; W215-R217 PolarHBondContact O-N 3.08Å; R217-T221 PolarHBondContact O-N 2.78Å; R217-T221 PolarHBondContact O-OG1 3.18Å
218A98.8Very high98.8Very high8 Ų847.4 Ų47.47%0.06622%0.221CC..Hα-helixtrans-67.8-49.6179.800000111.3V77 F162 K214 W215 N216 T221 M222V77-A218 HydrophobicContact CG2-CB 3.93Å; F162-A218 HydrophobicContact CE1-CB 4.22Å; K214-A218 VanDerWaalsContact O-CB 3.3Å; K214-A218 WeakPolarHBondContact O-CB 3.2Å; K214-A218 PolarHBondContact O-N 3Å; W215-A218 PolarHBondContact O-N 3.45Å; N216-A218 VanDerWaalsContact C-N 3.32Å; N216-A218 PolarHBondContact O-N 3.03Å; A218-T221 PolarHBondContact O-N 2.87Å; A218-M222 HydrophobicContact CB-CE 4.23Å; A218-M222 WeakPolarHBondContact O-CE 3.45Å; A218-M222 WeakPolarHBondContact O-CG 3.39Å; A218-M222 PolarHBondContact O-N 3.35Å; A218-M222 VanDerWaalsContact O-N 3.15Å
219I98.9Very high98.8Very high2 Ų247.1 Ų47.11%0.0122%0.222CC..Hα-helixtrans-68.2-35.9-179.3-165.359.3000111.8V77 L181 W215 N216 T221 M222 Y223 M320 L324V77-I219 HydrophobicContact CG2-CB 3.97Å; V77-I219 HydrophobicContact CG2-CD1 4.47Å; L181-I219 HydrophobicContact CD1-CD1 4.18Å; W215-I219 HydrophobicContact CD2-CG2 4.19Å; W215-I219 HydrophobicContact CE3-CG2 4.25Å; W215-I219 HydrophobicContact CH2-CG2 3.9Å; W215-I219 HydrophobicContact CZ2-CB 4.45Å; W215-I219 HydrophobicContact CZ2-CG2 3.84Å; W215-I219 HydrophobicContact CZ3-CG2 4.09Å; W215-I219 WeakPolarHBondContact O-CG2 3.45Å; W215-I219 PolarHBondContact O-N 2.94Å; N216-I219 WeakPolarHBondContact O-CG2 3.42Å; N216-I219 PolarHBondContact O-N 3.23Å; I219-T221 VanDerWaalsContact C-N 3.34Å; I219-T221 PolarHBondContact O-N 3.15Å; I219-M222 HydrophobicContact CD1-CE 4.33Å; I219-M222 PolarHBondContact O-N 2.76Å; I219-Y223 WeakPolarHBondContact O-CB 3.34Å; I219-Y223 PolarHBondContact O-N 2.88Å; I219-M320 HydrophobicContact CG2-CB 3.79Å; I219-M320 HydrophobicContact CG2-CE 4.46Å; I219-M320 HydrophobicContact CG2-CG 3.93Å; I219-L324 HydrophobicContact CG1-CD1 3.87Å; I219-L324 HydrophobicContact CG2-CD1 4.35Å
220E98.9Very high98.8Very high70 Ų7044.7 Ų44.733%0.32722%0.222SC..Hα-helixtrans-57.6-47.4173.5-178.8172.9-135.700111.4N216 M222 Y223 N224 M320N216-E220 WeakPolarHBondContact O-CB 3.37Å; N216-E220 PolarHBondContact O-N 3.19Å; E220-M222 PolarHBondContact O-N 2.87Å; E220-Y223 PolarHBondContact O-N 2.86Å; E220-N224 WeakPolarHBondContact O-CB 3.29Å; E220-N224 PolarHBondContact O-N 3.31Å; E220-N224 PolarHBondContact O-ND2 2.71Å; E220-M320 HydrophobicContact CB-CG 3.8Å; E220-M320 HydrophobicContact CB-SD 3.84Å; E220-M320 HydrophobicContact CG-CG 4.47Å; E220-M320 HydrophobicContact CG-SD 4.02Å
221T98.8Very high98.8Very high44 Ų4451.8 Ų51.827%0.2725%0.246SC..Hα-helixtrans-59.2-47.2177.3-58.30000111.5R217 A218 I219 Q225R217-T221 PolarHBondContact O-N 2.78Å; R217-T221 PolarHBondContact O-OG1 3.18Å; A218-T221 PolarHBondContact O-N 2.87Å; I219-T221 VanDerWaalsContact C-N 3.34Å; I219-T221 PolarHBondContact O-N 3.15Å; T221-Q225 WeakPolarHBondContact O-CG 3.18Å; T221-Q225 PolarHBondContact O-N 2.75Å
222M98.9Very high98.8Very high0 Ų058.9 Ų58.90%028%0.278CS..Hα-helixtrans-71.2-39-177.6-66.6-175.2-78.700112.1G76 V77 F162 L164 K165 L181 A218 I219 E220 Q225 C226G76-M222 VanDerWaalsContact C-CE 3.5Å; V77-M222 HydrophobicContact CB-CE 4.38Å; V77-M222 HydrophobicContact CG2-CE 3.49Å; V77-M222 VanDerWaalsContact CG2-CE 3.49Å; F162-M222 HydrophobicContact CD1-CE 4.36Å; F162-M222 HydrophobicContact CD1-SD 4.44Å; F162-M222 HydrophobicContact CE1-CE 4.37Å; L164-M222 HydrophobicContact CB-CG 4.23Å; L164-M222 HydrophobicContact CB-SD 3.97Å; L164-M222 WeakPolarHBondContact O-CG 3.42Å; K165-M222 HydrophobicContact CG-CG 4.1Å; K165-M222 HydrophobicContact CG-SD 4.32Å; L181-M222 HydrophobicContact CD1-CB 3.82Å; L181-M222 HydrophobicContact CD1-SD 4.38Å; L181-M222 HydrophobicContact CD2-CB 4.25Å; A218-M222 HydrophobicContact CB-CE 4.23Å; A218-M222 WeakPolarHBondContact O-CE 3.45Å; A218-M222 WeakPolarHBondContact O-CG 3.39Å; A218-M222 PolarHBondContact O-N 3.35Å; A218-M222 VanDerWaalsContact O-N 3.15Å; I219-M222 HydrophobicContact CD1-CE 4.33Å; I219-M222 PolarHBondContact O-N 2.76Å; E220-M222 PolarHBondContact O-N 2.87Å; M222-Q225 PolarHBondContact O-N 3.02Å; M222-C226 WeakPolarHBondContact O-CB 3.14Å; M222-C226 PolarHBondContact O-N 3.37Å
223Y98.9Very high98.8Very high56 Ų5661.9 Ų61.922%0.2229%0.291CS..Hα-helixtrans-61.4-49.8175.9173.9-96.4000111I219 E220 Q225 C226 M227 L236 M320 L324I219-Y223 WeakPolarHBondContact O-CB 3.34Å; I219-Y223 PolarHBondContact O-N 2.88Å; E220-Y223 PolarHBondContact O-N 2.86Å; Y223-Q225 VanDerWaalsContact C-N 3.33Å; Y223-Q225 PolarHBondContact O-N 3.13Å; Y223-C226 WeakPolarHBondContact O-CB 3.29Å; Y223-C226 PolarHBondContact O-N 3.03Å; Y223-C226 VanDerWaalsContact O-N 3.11Å; Y223-M227 HydrophobicContact CD1-CG 4.21Å; Y223-M227 HydrophobicContact CD2-CG 4.47Å; Y223-M227 HydrophobicContact CE1-CG 3.73Å; Y223-M227 HydrophobicContact CE2-CE 4.06Å; Y223-M227 HydrophobicContact CE2-CG 4.03Å; Y223-M227 HydrophobicContact CE2-SD 4.12Å; Y223-M227 WeakPolarHBondContact O-CG 3.48Å; Y223-M227 PolarHBondContact O-N 3.26Å; Y223-L236 HydrophobicContact CD2-CD1 4.44Å; Y223-L236 HydrophobicContact CD2-CD2 3.85Å; Y223-L236 HydrophobicContact CE2-CD2 3.71Å; Y223-M320 HydrophobicContact CD1-CE 3.9Å; Y223-M320 HydrophobicContact CD2-CE 4.48Å; Y223-M320 HydrophobicContact CG-CE 3.81Å; Y223-L324 HydrophobicContact CD2-CD2 3.68Å; Y223-L324 HydrophobicContact CE2-CD2 3.94Å; Y223-L324 HydrophobicContact CG-CD2 4.41Å
224N98.9Very high98.8Very high87 Ų8759 Ų5947%0.46527%0.273SS..Hα-helixtrans-60-43.2-179.8-70.5-16.8000111.5E220 C226 M227 E228E220-N224 WeakPolarHBondContact O-CB 3.29Å; E220-N224 PolarHBondContact O-N 3.31Å; E220-N224 PolarHBondContact O-ND2 2.71Å; N224-C226 PolarHBondContact O-N 2.96Å; N224-M227 PolarHBondContact O-N 2.97Å; N224-E228 WeakPolarHBondContact O-CB 3.13Å; N224-E228 PolarHBondContact O-N 2.97Å
225Q98.9Very high98.8Very high27 Ų2757 Ų5713%0.12627%0.265CS..Hα-helixtrans-66.8-36175.8-69.7-177.242.800112.8K165 L167 T168 T221 M222 Y223 M227 E228 V229K165-Q225 PolarHBondContact O-NE2 3.1Å; K165-Q225 PolarHBondContact O-OE1 3.48Å; L167-Q225 HydrophobicContact CB-CB 3.96Å; L167-Q225 HydrophobicContact CD2-CB 4.36Å; T168-Q225 VanDerWaalsContact N-OE1 3.07Å; T168-Q225 WeakPolarHBondContact OG1-CB 3.1Å; T168-Q225 WeakPolarHBondContact OG1-CG 3.49Å; T221-Q225 WeakPolarHBondContact O-CG 3.18Å; T221-Q225 PolarHBondContact O-N 2.75Å; M222-Q225 PolarHBondContact O-N 3.02Å; Y223-Q225 VanDerWaalsContact C-N 3.33Å; Y223-Q225 PolarHBondContact O-N 3.13Å; Q225-M227 VanDerWaalsContact C-N 3.34Å; Q225-E228 WeakPolarHBondContact O-CB 3.37Å; Q225-E228 PolarHBondContact O-N 3.22Å; Q225-V229 PolarHBondContact O-N 3.02Å; Q225-V229 VanDerWaalsContact O-N 3.13Å
226C98.9Very high98.8Very high0 Ų058.7 Ų58.70%027%0.274CS..Hα-helixtrans-63.8-41.3174.7-176.20000111.6L167 L181 M222 Y223 N224 V229 G230 C234 L236L167-C226 HydrophobicContact CD1-CB 3.94Å; L181-C226 HydrophobicContact CD2-CB 3.84Å; M222-C226 WeakPolarHBondContact O-CB 3.14Å; M222-C226 PolarHBondContact O-N 3.37Å; Y223-C226 WeakPolarHBondContact O-CB 3.29Å; Y223-C226 PolarHBondContact O-N 3.03Å; Y223-C226 VanDerWaalsContact O-N 3.11Å; N224-C226 PolarHBondContact O-N 2.96Å; C226-V229 WeakPolarHBondContact O-CG2 3.46Å; C226-G230 PolarHBondContact O-N 3.17Å; C226-C234 VanDerWaalsContact CA-SG 3.57Å; C226-C234 HydrophobicContact CB-CB 3.93Å; C226-C234 WeakPolarHBondContact CB-SG 3.28Å; C226-C234 WeakPolarHBondContact SG-CB 3.26Å; C226-C234 CovalentContact SG-SG 2.02Å; C226-C234 PolarHBondContact SG-SG 3.06Å; C226-L236 HydrophobicContact CB-CD1 4.28Å; C226-L236 WeakPolarHBondContact SG-CD1 3.33Å
227M98.8Very high98.8Very high90 Ų9058 Ų5844%0.44327%0.27SS..Hα-helixtrans-66.5-40.5174.3-65.6-58.499.800111.7Y223 N224 Q225 V229 G230 L236Y223-M227 HydrophobicContact CD1-CG 4.21Å; Y223-M227 HydrophobicContact CD2-CG 4.47Å; Y223-M227 HydrophobicContact CE1-CG 3.73Å; Y223-M227 HydrophobicContact CE2-CE 4.06Å; Y223-M227 HydrophobicContact CE2-CG 4.03Å; Y223-M227 HydrophobicContact CE2-SD 4.12Å; Y223-M227 WeakPolarHBondContact O-CG 3.48Å; Y223-M227 PolarHBondContact O-N 3.26Å; N224-M227 PolarHBondContact O-N 2.97Å; Q225-M227 VanDerWaalsContact C-N 3.34Å; M227-V229 PolarHBondContact O-N 3.38Å; M227-G230 PolarHBondContact O-N 3.09Å; M227-G230 VanDerWaalsContact O-N 3.1Å; M227-L236 HydrophobicContact CE-CD1 3.41Å; M227-L236 VanDerWaalsContact CE-CD1 3.41Å
228E98.8Very high98.8Very high133 Ų13351.4 Ų51.462%0.62125%0.247SC*.Hα-helixtrans-58.6-44.8179.4-176-176.7-167.400112.6T168 N224 Q225 G230T168-E228 HydrophobicContact CG2-CG 4.44Å; T168-E228 WeakPolarHBondContact CG2-OE2 3.39Å; T168-E228 PolarHBondContact OG1-OE2 3.18Å; N224-E228 WeakPolarHBondContact O-CB 3.13Å; N224-E228 PolarHBondContact O-N 2.97Å; Q225-E228 WeakPolarHBondContact O-CB 3.37Å; Q225-E228 PolarHBondContact O-N 3.22Å; E228-G230 PolarHBondContact O-N 2.99Å
229V98.8Very high98.8Very high28 Ų2851.9 Ų51.917%0.1725%0.247CC..Hα-helixtrans-76.7-11.7178.1-58.10000113.7L167 T168 A171 Q225 C226 M227 K233 C234L167-V229 HydrophobicContact CD2-CB 4.17Å; L167-V229 HydrophobicContact CD2-CG1 3.55Å; L167-V229 HydrophobicContact CD2-CG2 3.51Å; T168-V229 HydrophobicContact CG2-CG1 4.45Å; A171-V229 HydrophobicContact CB-CG1 3.77Å; Q225-V229 PolarHBondContact O-N 3.02Å; Q225-V229 VanDerWaalsContact O-N 3.13Å; C226-V229 WeakPolarHBondContact O-CG2 3.46Å; M227-V229 PolarHBondContact O-N 3.38Å; V229-K233 HydrophobicContact CB-CB 4Å; V229-K233 HydrophobicContact CB-CD 4.19Å; V229-K233 HydrophobicContact CG2-CB 3.83Å; V229-C234 HydrophobicContact CG2-CB 3.52Å
230G98.6Very high98.8Very high26 Ų2651.8 Ų51.827%0.26825%0.247SC..  trans78.6164.4175.600000115.7C226 M227 E228 K232 K233 C234C226-G230 PolarHBondContact O-N 3.17Å; M227-G230 PolarHBondContact O-N 3.09Å; M227-G230 VanDerWaalsContact O-N 3.1Å; E228-G230 PolarHBondContact O-N 2.99Å; G230-K232 PolarHBondContact O-N 3.45Å; G230-K233 PolarHBondContact O-N 2.97Å; G230-C234 PolarHBondContact O-N 2.92Å
231Y98.4Very high98.8Very high188 Ų18851 Ų5174%0.73724%0.243SC*.THydrogen-bonded Turntrans-62.4-16.7-172.572.7-92.8000115.1F256Y231-F256 VanDerWaalsContact O-CE2 3.28Å; Y231-F256 WeakPolarHBondContact O-CE2 3.42Å
232K98.6Very high98.8Very high150 Ų15049 Ų4965%0.65223%0.23SC*.THydrogen-bonded Turntrans-79.3-23.8175.8-66.9-173.9179.1178.90112.5G230G230-K232 PolarHBondContact O-N 3.45Å
233K98.8Very high98.8Very high63 Ų6349 Ų4927%0.27423%0.231SC..THydrogen-bonded Turntrans-108.6-33.9-177.5-73-175.3170.3-680112.6P175 K178 F179 V229 G230P175-K233 PolarHBondContact O-NZ 3.38Å; K178-K233 CarbonylContact C-O 3.57Å; K178-K233 WeakPolarHBondContact CA-O 3.16Å; F179-K233 WeakPolarHBondContact CD2-O 3.33Å; F179-K233 PolarHBondContact N-O 3.46Å; V229-K233 HydrophobicContact CB-CB 4Å; V229-K233 HydrophobicContact CB-CD 4.19Å; V229-K233 HydrophobicContact CG2-CB 3.83Å; G230-K233 PolarHBondContact O-N 2.97Å
234C98.9Very high98.8Very high4 Ų446.4 Ų46.43%0.02722%0.221CC..EExtended strand (participates in β ladder)trans-126.5136.1179.6-172.10000112.2F179 C226 V229 G230F179-C234 HydrophobicContact CB-CB 3.99Å; F179-C234 WeakPolarHBondContact O-CA 3.15Å; C226-C234 VanDerWaalsContact CA-SG 3.57Å; C226-C234 HydrophobicContact CB-CB 3.93Å; C226-C234 WeakPolarHBondContact CB-SG 3.28Å; C226-C234 WeakPolarHBondContact SG-CB 3.26Å; C226-C234 CovalentContact SG-SG 2.02Å; C226-C234 PolarHBondContact SG-SG 3.06Å; V229-C234 HydrophobicContact CG2-CB 3.52Å; G230-C234 PolarHBondContact O-N 2.92Å
235M98.9Very high98.8Very high25 Ų2543.2 Ų43.212%0.12320%0.203CC..EExtended strand (participates in β ladder)trans-120.4129.3175.2-179.8178.617500109.8F179 L180 L181 V237 W249 T252 L253 F256F179-M235 PolarHBondContact O-N 3.39Å; L180-M235 HydrophobicContact CD2-CB 4.12Å; L181-M235 PolarHBondContact N-O 2.93Å; M235-V237 HydrophobicContact CG-CG2 4.31Å; M235-W249 HydrophobicContact CE-CE3 3.81Å; M235-W249 HydrophobicContact CE-CZ3 3.7Å; M235-T252 HydrophobicContact CE-CG2 3.61Å; M235-L253 HydrophobicContact SD-CB 4.42Å; M235-F256 HydrophobicContact CB-CD1 3.89Å; M235-F256 HydrophobicContact CB-CD2 4.2Å; M235-F256 HydrophobicContact CB-CE1 3.73Å; M235-F256 HydrophobicContact CB-CE2 4.06Å; M235-F256 HydrophobicContact CB-CG 4.12Å; M235-F256 HydrophobicContact CB-CZ 3.82Å; M235-F256 HydrophobicContact SD-CB 3.92Å; M235-F256 HydrophobicContact SD-CD1 4.02Å; M235-F256 HydrophobicContact SD-CG 3.94Å
236L98.9Very high98.8Very high38 Ų3842.4 Ų42.420%0.19920%0.2CC..EExtended strand (participates in β ladder)trans-75.5131.6167.4-91.864.5000109.4L181 V183 Y223 C226 M227 L324L181-L236 HydrophobicContact CD2-CD1 4.24Å; V183-L236 HydrophobicContact CG2-CB 4.45Å; V183-L236 HydrophobicContact CG2-CD2 4.15Å; V183-L236 HydrophobicContact CG2-CG 3.92Å; Y223-L236 HydrophobicContact CD2-CD1 4.44Å; Y223-L236 HydrophobicContact CD2-CD2 3.85Å; Y223-L236 HydrophobicContact CE2-CD2 3.71Å; C226-L236 HydrophobicContact CB-CD1 4.28Å; C226-L236 WeakPolarHBondContact SG-CD1 3.33Å; M227-L236 HydrophobicContact CE-CD1 3.41Å; M227-L236 VanDerWaalsContact CE-CD1 3.41Å; L236-L324 HydrophobicContact CD2-CD2 4.2Å
237V98.9Very high98.8Very high0 Ų046.1 Ų46.10%022%0.217CC..EExtended strand (participates in β ladder)trans-124105.9176.5-175.50000108.3M85 L180 L181 M182 V183 M235 Y239 L242 L253M85-V237 HydrophobicContact SD-CG1 4.19Å; L180-V237 HydrophobicContact CD2-CG2 4.32Å; L181-V237 PolarHBondContact O-N 2.9Å; M182-V237 WeakPolarHBondContact CA-O 3.23Å; M182-V237 HydrophobicContact CE-CB 4.32Å; M182-V237 HydrophobicContact CE-CG1 3.98Å; M182-V237 HydrophobicContact SD-CB 3.73Å; M182-V237 HydrophobicContact SD-CG1 3.85Å; V183-V237 PolarHBondContact N-O 2.77Å; M235-V237 HydrophobicContact CG-CG2 4.31Å; V237-Y239 PolarHBondContact O-N 3.32Å; V237-L242 HydrophobicContact CG1-CB 4.34Å; V237-L242 HydrophobicContact CG1-CD2 4.36Å; V237-L253 HydrophobicContact CG2-CD1 4.09Å
238H98.9Very high98.8Very high41 Ų4148.9 Ų48.919%0.1922%0.223CC..EExtended strand (participates in β ladder)trans-74.2118.4176-71.2-104.6000109.4V183 E240 Q241 L242 L324 Y326V183-H238 CarbonylContact O-C 3.59Å; V183-H238 WeakPolarHBondContact O-CA 3.2Å; H238-E240 PolarHBondContact O-N 3.44Å; H238-Q241 HydrophobicContact CB-CB 4Å; H238-Q241 HydrophobicContact CB-CG 3.72Å; H238-Q241 PolarHBondContact O-N 3.44Å; H238-Q241 VanDerWaalsContact O-N 3.12Å; H238-L242 PolarHBondContact O-N 3.5Å; H238-L324 PolarHBondContact CE1-O 2.97Å; H238-L324 VanDerWaalsContact CE1-O 3.28Å; H238-Y326 AromaticContact ND1-CZ 3.73Å; H238-Y326 PolarHBondContact ND1-OH 2.98Å
239Y98.9Very high98.8Very high17 Ų1744.9 Ų44.97%0.06720%0.202CC..Hα-helixtrans-52.6-45.2179.8163-98.8000111.5L84 V183 R184 V237 Q241 L242 V243 L299L84-Y239 HydrophobicContact CD2-CE2 4.26Å; V183-Y239 PolarHBondContact O-N 2.81Å; R184-Y239 HydrophobicContact CG-CD1 3.69Å; R184-Y239 HydrophobicContact CG-CG 4.04Å; R184-Y239 VanDerWaalsContact CZ-CE1 3.41Å; R184-Y239 VanDerWaalsContact NE-CD1 3.26Å; R184-Y239 VanDerWaalsContact NH2-CE1 3.3Å; V237-Y239 PolarHBondContact O-N 3.32Å; Y239-Q241 VanDerWaalsContact C-N 3.31Å; Y239-Q241 PolarHBondContact O-N 3.38Å; Y239-L242 WeakPolarHBondContact O-CB 3.38Å; Y239-L242 PolarHBondContact O-N 3.26Å; Y239-V243 HydrophobicContact CD2-CG1 3.95Å; Y239-V243 HydrophobicContact CE1-CG1 4.43Å; Y239-V243 HydrophobicContact CE1-CG2 4.2Å; Y239-V243 HydrophobicContact CE2-CG1 3.39Å; Y239-V243 WeakPolarHBondContact O-CG2 3.32Å; Y239-V243 PolarHBondContact O-N 2.89Å; Y239-L299 HydrophobicContact CE1-CD2 4.15Å
240E98.9Very high98.8Very high1 Ų143.5 Ų43.51%0.00519%0.194CC..Hα-helixtrans-61.9-44-178.1-61.978.7-173.300110.2R184 D185 H238 V243 L244 L299 Y326 Y335R184-E240 WeakPolarHBondContact CG-OE1 3.4Å; D185-E240 PolarHBondContact N-OE1 2.94Å; H238-E240 PolarHBondContact O-N 3.44Å; E240-V243 WeakPolarHBondContact O-CG2 3.49Å; E240-V243 PolarHBondContact O-N 3.31Å; E240-L244 VanDerWaalsContact O-CB 3.28Å; E240-L244 WeakPolarHBondContact O-CB 3.03Å; E240-L244 WeakPolarHBondContact O-CD1 3.38Å; E240-L244 WeakPolarHBondContact O-CG 2.99Å; E240-L244 PolarHBondContact O-N 3.5Å; E240-L299 HydrophobicContact CB-CD2 3.84Å; E240-L299 HydrophobicContact CG-CD2 3.75Å; E240-Y326 PolarHBondContact OE2-OH 2.85Å; E240-Y335 HydrophobicContact CB-CD1 4.21Å; E240-Y335 HydrophobicContact CB-CG 4.18Å; E240-Y335 HydrophobicContact CG-CD1 3.72Å; E240-Y335 HydrophobicContact CG-CD2 4.38Å; E240-Y335 HydrophobicContact CG-CE1 4.06Å; E240-Y335 HydrophobicContact CG-CG 3.89Å
241Q98.9Very high98.8Very high54 Ų5447.6 Ų47.625%0.25220%0.201SC..Hα-helixtrans-69.4-37.1178.2-57.4-56.9-4700111.9H238 Y239 L244 H245 W249 Y335H238-Q241 HydrophobicContact CB-CB 4Å; H238-Q241 HydrophobicContact CB-CG 3.72Å; H238-Q241 PolarHBondContact O-N 3.44Å; H238-Q241 VanDerWaalsContact O-N 3.12Å; Y239-Q241 VanDerWaalsContact C-N 3.31Å; Y239-Q241 PolarHBondContact O-N 3.38Å; Q241-L244 PolarHBondContact O-N 2.91Å; Q241-H245 PolarHBondContact O-N 3.11Å; Q241-W249 VanDerWaalsContact C-CD1 3.49Å; Q241-W249 HydrophobicContact CB-CD2 4.46Å; Q241-W249 VanDerWaalsContact CB-CE2 3.48Å; Q241-W249 HydrophobicContact CB-CZ2 3.6Å; Q241-W249 HydrophobicContact CG-CZ2 4.08Å; Q241-W249 PolarHBondContact O-NE1 3.42Å; Q241-Y335 PolarHBondContact NE2-O 3.41Å
242L98.9Very high98.8Very high0 Ų042 Ų420%019%0.186CC..Hα-helixtrans-61.5-45.4174177.164.7000111.5M85 M88 M182 V237 H238 Y239 P246 W249 M250M85-L242 HydrophobicContact SD-CD2 3.99Å; M88-L242 HydrophobicContact CE-CD1 4.13Å; M88-L242 HydrophobicContact SD-CD1 4.09Å; M88-L242 HydrophobicContact SD-CD2 4.21Å; M88-L242 HydrophobicContact SD-CG 4.31Å; M182-L242 HydrophobicContact CE-CD2 4Å; V237-L242 HydrophobicContact CG1-CB 4.34Å; V237-L242 HydrophobicContact CG1-CD2 4.36Å; H238-L242 PolarHBondContact O-N 3.5Å; Y239-L242 WeakPolarHBondContact O-CB 3.38Å; Y239-L242 PolarHBondContact O-N 3.26Å; L242-P246 WeakPolarHBondContact O-CA 3.34Å; L242-P246 WeakPolarHBondContact O-CB 3.12Å; L242-P246 WeakPolarHBondContact O-CD 3.18Å; L242-P246 VanDerWaalsContact O-N 3.14Å; L242-W249 HydrophobicContact CD1-CB 3.94Å; L242-M250 HydrophobicContact CD1-SD 4.12Å
243V98.8Very high98.8Very high1 Ų134.9 Ų34.91%0.00616%0.156CC..Hα-helixtrans-78.4-26.7-179.3-58.80000113.2L84 Y239 E240 V294 V296 L299 I342L84-V243 HydrophobicContact CD2-CG1 3.76Å; Y239-V243 HydrophobicContact CD2-CG1 3.95Å; Y239-V243 HydrophobicContact CE1-CG1 4.43Å; Y239-V243 HydrophobicContact CE1-CG2 4.2Å; Y239-V243 HydrophobicContact CE2-CG1 3.39Å; Y239-V243 WeakPolarHBondContact O-CG2 3.32Å; Y239-V243 PolarHBondContact O-N 2.89Å; E240-V243 WeakPolarHBondContact O-CG2 3.49Å; E240-V243 PolarHBondContact O-N 3.31Å; V243-V294 HydrophobicContact CB-CG1 4.01Å; V243-V294 HydrophobicContact CG1-CG1 4.15Å; V243-V296 HydrophobicContact CG2-CG1 4.19Å; V243-L299 HydrophobicContact CG2-CD2 3.48Å; V243-L299 VanDerWaalsContact CG2-CD2 3.48Å; V243-L299 HydrophobicContact CG2-CG 4.16Å; V243-I342 WeakPolarHBondContact O-CG2 3.31Å
244L98.8Very high98.9Very high1 Ų132 Ų321%0.00514%0.143CC..Hα-helixtrans-73.7-39.8174-71166.1000111.7E240 Q241 V296 L299 Y335 P338 D339E240-L244 VanDerWaalsContact O-CB 3.28Å; E240-L244 WeakPolarHBondContact O-CB 3.03Å; E240-L244 WeakPolarHBondContact O-CD1 3.38Å; E240-L244 WeakPolarHBondContact O-CG 2.99Å; E240-L244 PolarHBondContact O-N 3.5Å; Q241-L244 PolarHBondContact O-N 2.91Å; L244-V296 HydrophobicContact CD2-CG1 4.04Å; L244-L299 HydrophobicContact CD2-CD1 3.85Å; L244-L299 HydrophobicContact CG-CD1 4.25Å; L244-Y335 WeakPolarHBondContact CD1-O 3.23Å; L244-P338 HydrophobicContact CD2-CB 3.83Å; L244-P338 HydrophobicContact CD2-CG 4.28Å; L244-D339 PolarHBondContact O-N 3.41Å
245H98.8Very high98.9Very high21 Ų2140 Ų4010%0.09718%0.178CC..SBendtrans-136.459.7-170.2-51.7-64.2000113.2Q241 E247 R248 W249 K337 D339Q241-H245 PolarHBondContact O-N 3.11Å; H245-E247 PolarHBondContact O-N 3.33Å; H245-R248 HydrophobicContact CB-CB 4.19Å; H245-R248 PolarHBondContact O-N 3.46Å; H245-W249 PolarHBondContact O-N 3.13Å; H245-W249 VanDerWaalsContact O-N 3.15Å; H245-K337 PolarHBondContact CE1-O 2.67Å; H245-D339 WeakPolarHBondContact CA-OD2 3.45Å; H245-D339 IonicContact CE1-OD1 2.69Å; H245-D339 IonicContact CG-OD1 2.88Å; H245-D339 IonicContact ND1-OD1 3.72Å; H245-D339 PolarHBondContact ND1-OD1 3.35Å; H245-D339 IonicContact ND1-OD2 3.58Å
246P98.8Very high98.8Very high9 Ų940.5 Ų40.56%0.05818%0.179CC..Hα-helixtrans-63.5-39.3-168.622.1-31.4000113.6M88 L242 R248 W249 M250 L266 V294 I342M88-P246 HydrophobicContact CE-CB 3.92Å; L242-P246 WeakPolarHBondContact O-CA 3.34Å; L242-P246 WeakPolarHBondContact O-CB 3.12Å; L242-P246 WeakPolarHBondContact O-CD 3.18Å; L242-P246 VanDerWaalsContact O-N 3.14Å; P246-R248 PolarHBondContact O-N 3.1Å; P246-W249 PolarHBondContact O-N 3.39Å; P246-M250 VanDerWaalsContact O-CB 3.3Å; P246-M250 WeakPolarHBondContact O-CB 3.35Å; P246-M250 VanDerWaalsContact O-CG 3.24Å; P246-M250 WeakPolarHBondContact O-CG 3.4Å; P246-M250 PolarHBondContact O-N 2.8Å; P246-L266 HydrophobicContact CB-CD2 4.03Å; P246-V294 HydrophobicContact CB-CG1 4.36Å; P246-V294 HydrophobicContact CG-CG1 4.17Å; P246-I342 HydrophobicContact CG-CD1 3.42Å; P246-I342 VanDerWaalsContact CG-CD1 3.42Å; P246-I342 HydrophobicContact CG-CG1 4.02Å
247E98.8Very high98.8Very high79 Ų7939.1 Ų39.137%0.36917%0.172SC..Hα-helixtrans-61.4-46.6178.4-177.1172.2174.100111.8H245 W249 M250 R251 W261 L266H245-E247 PolarHBondContact O-N 3.33Å; E247-W249 VanDerWaalsContact C-N 3.34Å; E247-W249 PolarHBondContact O-N 2.9Å; E247-M250 PolarHBondContact O-N 3.36Å; E247-R251 HydrophobicContact CG-CG 4.4Å; E247-R251 WeakPolarHBondContact O-CB 3.3Å; E247-R251 VanDerWaalsContact O-CG 3.26Å; E247-R251 WeakPolarHBondContact O-CG 3.34Å; E247-R251 PolarHBondContact O-N 2.61Å; E247-R251 IonicContact OE1-CZ 3.88Å; E247-R251 VanDerWaalsContact OE1-CZ 3.25Å; E247-R251 IonicContact OE1-NE 2.89Å; E247-R251 PolarHBondContact OE1-NE 3.18Å; E247-R251 IonicContact OE1-NH2 2.77Å; E247-R251 PolarHBondContact OE1-NH2 3.4Å; E247-W261 HydrophobicContact CG-CH2 4.14Å; E247-W261 HydrophobicContact CG-CZ2 4.37Å; E247-L266 HydrophobicContact CB-CD1 3.86Å; E247-L266 HydrophobicContact CB-CD2 4.31Å; E247-L266 HydrophobicContact CG-CD1 4.04Å
248R98.8Very high98.8Very high147 Ų14746.1 Ų46.156%0.55521%0.205SC*.Hα-helixtrans-57-49.8177.6-177-171.4-63.9168.52.8110.8H245 P246 R251 T252H245-R248 HydrophobicContact CB-CB 4.19Å; H245-R248 PolarHBondContact O-N 3.46Å; P246-R248 PolarHBondContact O-N 3.1Å; R248-R251 PolarHBondContact O-N 3.19Å; R248-T252 PolarHBondContact O-N 3.42Å; R248-T252 VanDerWaalsContact O-N 3.11Å; R248-T252 PolarHBondContact O-OG1 2.95Å; R248-T252 VanDerWaalsContact O-OG1 3.07Å
249W98.8Very high98.8Very high49 Ų4944.7 Ų44.719%0.18620%0.198CC..Hα-helixtrans-71.4-39.3-176.2-7994.3000112.9M235 Q241 L242 H245 P246 E247 R251 T252 L253M235-W249 HydrophobicContact CE-CE3 3.81Å; M235-W249 HydrophobicContact CE-CZ3 3.7Å; Q241-W249 VanDerWaalsContact C-CD1 3.49Å; Q241-W249 HydrophobicContact CB-CD2 4.46Å; Q241-W249 VanDerWaalsContact CB-CE2 3.48Å; Q241-W249 HydrophobicContact CB-CZ2 3.6Å; Q241-W249 HydrophobicContact CG-CZ2 4.08Å; Q241-W249 PolarHBondContact O-NE1 3.42Å; L242-W249 HydrophobicContact CD1-CB 3.94Å; H245-W249 PolarHBondContact O-N 3.13Å; H245-W249 VanDerWaalsContact O-N 3.15Å; P246-W249 PolarHBondContact O-N 3.39Å; E247-W249 VanDerWaalsContact C-N 3.34Å; E247-W249 PolarHBondContact O-N 2.9Å; W249-R251 VanDerWaalsContact C-N 3.33Å; W249-R251 PolarHBondContact O-N 2.86Å; W249-T252 PolarHBondContact O-N 3.45Å; W249-L253 WeakPolarHBondContact O-CB 3.45Å; W249-L253 PolarHBondContact O-N 3.21Å
250M98.9Very high98.8Very high0 Ų047.8 Ų47.80%022%0.22CC..Hα-helixtrans-65.4-36.8176-69.3-48.9-66.200112M85 M88 L89 L242 P246 E247 L253 L254 W261 V265 L266M85-M250 HydrophobicContact CE-CE 3.8Å; M85-M250 HydrophobicContact CE-SD 3.6Å; M85-M250 VanDerWaalsContact CE-SD 3.6Å; M88-M250 HydrophobicContact CB-CE 4.04Å; M88-M250 HydrophobicContact CB-SD 4.21Å; M88-M250 HydrophobicContact CE-CG 3.41Å; M88-M250 VanDerWaalsContact CE-CG 3.41Å; M88-M250 HydrophobicContact CE-SD 3.66Å; M88-M250 HydrophobicContact SD-SD 4.28Å; L89-M250 HydrophobicContact CD2-CE 3.74Å; L89-M250 HydrophobicContact CG-CE 4.4Å; L242-M250 HydrophobicContact CD1-SD 4.12Å; P246-M250 VanDerWaalsContact O-CB 3.3Å; P246-M250 WeakPolarHBondContact O-CB 3.35Å; P246-M250 VanDerWaalsContact O-CG 3.24Å; P246-M250 WeakPolarHBondContact O-CG 3.4Å; P246-M250 PolarHBondContact O-N 2.8Å; E247-M250 PolarHBondContact O-N 3.36Å; M250-L253 HydrophobicContact CE-CD2 4.45Å; M250-L253 PolarHBondContact O-N 3.35Å; M250-L254 WeakPolarHBondContact O-CB 3.5Å; M250-L254 WeakPolarHBondContact O-CG 3.24Å; M250-L254 PolarHBondContact O-N 3.46Å; M250-W261 HydrophobicContact CB-CH2 4.21Å; M250-W261 HydrophobicContact CB-CZ3 3.72Å; M250-V265 HydrophobicContact CB-CG2 3.84Å; M250-V265 HydrophobicContact CE-CB 3.85Å; M250-V265 HydrophobicContact CE-CG1 4.25Å; M250-V265 HydrophobicContact CE-CG2 4.13Å; M250-V265 HydrophobicContact CG-CG2 4.01Å; M250-L266 HydrophobicContact CB-CD2 4.46Å; M250-L266 HydrophobicContact CG-CD2 4.21Å
251R98.8Very high98.8Very high111 Ų11151.4 Ų51.442%0.41923%0.234SC..Hα-helixtrans-62.6-48.1172.9-74.6-179.3-178.2-70.41.4111.7E247 R248 W249 L253 K255 W261E247-R251 HydrophobicContact CG-CG 4.4Å; E247-R251 WeakPolarHBondContact O-CB 3.3Å; E247-R251 VanDerWaalsContact O-CG 3.26Å; E247-R251 WeakPolarHBondContact O-CG 3.34Å; E247-R251 PolarHBondContact O-N 2.61Å; E247-R251 IonicContact OE1-CZ 3.88Å; E247-R251 VanDerWaalsContact OE1-CZ 3.25Å; E247-R251 IonicContact OE1-NE 2.89Å; E247-R251 PolarHBondContact OE1-NE 3.18Å; E247-R251 IonicContact OE1-NH2 2.77Å; E247-R251 PolarHBondContact OE1-NH2 3.4Å; R248-R251 PolarHBondContact O-N 3.19Å; W249-R251 VanDerWaalsContact C-N 3.33Å; W249-R251 PolarHBondContact O-N 2.86Å; R251-L253 VanDerWaalsContact C-N 3.32Å; R251-L253 PolarHBondContact O-N 3.31Å; R251-K255 WeakPolarHBondContact O-CB 3.46Å; R251-K255 PolarHBondContact O-N 2.88Å; R251-K255 VanDerWaalsContact O-N 3.08Å; R251-W261 HydrophobicContact CB-CE3 4.38Å; R251-W261 HydrophobicContact CB-CZ3 4.35Å; R251-W261 HydrophobicContact CG-CD2 4.1Å; R251-W261 HydrophobicContact CG-CE3 3.53Å; R251-W261 HydrophobicContact CG-CH2 4.03Å; R251-W261 HydrophobicContact CG-CZ3 3.5Å
252T98.9Very high98.8Very high70 Ų7051.5 Ų51.543%0.42924%0.236SC..Hα-helixtrans-60.9-43.6177.2-58.40000111.4M235 R248 W249 K255 F256M235-T252 HydrophobicContact CE-CG2 3.61Å; R248-T252 PolarHBondContact O-N 3.42Å; R248-T252 VanDerWaalsContact O-N 3.11Å; R248-T252 PolarHBondContact O-OG1 2.95Å; R248-T252 VanDerWaalsContact O-OG1 3.07Å; W249-T252 PolarHBondContact O-N 3.45Å; T252-K255 PolarHBondContact O-N 3.26Å; T252-F256 WeakPolarHBondContact O-CB 3.42Å; T252-F256 PolarHBondContact O-N 3.35Å
253L98.8Very high98.8Very high1 Ų156.1 Ų56.11%0.00526%0.258CS..Hα-helixtrans-68.3-47.2-177.3-176.5155.4000111.9M85 L89 L180 M235 V237 W249 M250 R251 K255 F256 L257M85-L253 HydrophobicContact CE-CD1 3.36Å; M85-L253 HydrophobicContact CE-CD2 4.23Å; M85-L253 HydrophobicContact CE-CG 4.45Å; M85-L253 HydrophobicContact SD-CD1 3.49Å; M85-L253 WeakPolarHBondContact SD-CD1 3.38Å; L89-L253 HydrophobicContact CD1-CD2 4.43Å; L89-L253 HydrophobicContact CD2-CD2 3.75Å; L180-L253 HydrophobicContact CD1-CD1 3.79Å; L180-L253 HydrophobicContact CD1-CD2 4.04Å; L180-L253 HydrophobicContact CD1-CG 4.08Å; L180-L253 HydrophobicContact CD2-CD1 3.94Å; L180-L253 HydrophobicContact CD2-CG 3.91Å; L180-L253 HydrophobicContact CG-CD1 4.47Å; M235-L253 HydrophobicContact SD-CB 4.42Å; V237-L253 HydrophobicContact CG2-CD1 4.09Å; W249-L253 WeakPolarHBondContact O-CB 3.45Å; W249-L253 PolarHBondContact O-N 3.21Å; M250-L253 HydrophobicContact CE-CD2 4.45Å; M250-L253 PolarHBondContact O-N 3.35Å; R251-L253 VanDerWaalsContact C-N 3.32Å; R251-L253 PolarHBondContact O-N 3.31Å; L253-K255 VanDerWaalsContact C-N 3.28Å; L253-K255 PolarHBondContact O-N 3.12Å; L253-F256 WeakPolarHBondContact O-CB 3.33Å; L253-F256 PolarHBondContact O-N 2.89Å; L253-F256 VanDerWaalsContact O-N 3.15Å; L253-L257 HydrophobicContact CD2-CD1 3.49Å; L253-L257 VanDerWaalsContact CD2-CD1 3.49Å; L253-L257 HydrophobicContact CD2-CG 4.04Å; L253-L257 WeakPolarHBondContact O-CG 3.45Å; L253-L257 PolarHBondContact O-N 3.11Å
254L98.9Very high98.8Very high2 Ų257 Ų571%0.0126%0.264CS..Hα-helixtrans-64.4-35.7177.2-70.9174.5000111.4L89 I95 M250 L257 Q258 I259 W261 V265L89-L254 HydrophobicContact CD2-CD2 4.06Å; I95-L254 HydrophobicContact CD1-CD2 4Å; M250-L254 WeakPolarHBondContact O-CB 3.5Å; M250-L254 WeakPolarHBondContact O-CG 3.24Å; M250-L254 PolarHBondContact O-N 3.46Å; L254-L257 CarbonylContact O-C 3.43Å; L254-L257 PolarHBondContact O-N 3.5Å; L254-Q258 PolarHBondContact O-N 3.28Å; L254-I259 HydrophobicContact CD2-CB 4.08Å; L254-I259 HydrophobicContact CD2-CG2 4.17Å; L254-I259 PolarHBondContact O-N 2.97Å; L254-W261 HydrophobicContact CD1-CE3 3.77Å; L254-W261 HydrophobicContact CD1-CZ3 4.19Å; L254-V265 HydrophobicContact CD1-CG1 4.24Å
255K98.9Very high98.8Very high174 Ų17457 Ų5776%0.75726%0.263SS*.Hα-helixtrans-62.6-44.3170.9-175177.5-179.4178.40112.3R251 T252 L253 L257 Q258R251-K255 WeakPolarHBondContact O-CB 3.46Å; R251-K255 PolarHBondContact O-N 2.88Å; R251-K255 VanDerWaalsContact O-N 3.08Å; T252-K255 PolarHBondContact O-N 3.26Å; L253-K255 VanDerWaalsContact C-N 3.28Å; L253-K255 PolarHBondContact O-N 3.12Å; K255-L257 VanDerWaalsContact C-N 3.32Å; K255-Q258 PolarHBondContact O-N 3.18Å; K255-Q258 VanDerWaalsContact O-N 3.16Å
256F98.9Very high98.8Very high34 Ų3457.1 Ų57.115%0.14927%0.265CS..Hα-helixtrans-60.3-42.4173.6161.3-100.1000111.5K178 L180 Y231 M235 T252 L253 Q258K178-F256 HydrophobicContact CB-CE1 3.98Å; K178-F256 HydrophobicContact CB-CZ 4.05Å; K178-F256 HydrophobicContact CD-CE1 4.14Å; K178-F256 HydrophobicContact CD-CZ 4.15Å; K178-F256 WeakPolarHBondContact CD-O 3.5Å; K178-F256 WeakPolarHBondContact CE-O 3.43Å; K178-F256 HydrophobicContact CG-CZ 4.36Å; L180-F256 HydrophobicContact CD2-CD1 3.96Å; L180-F256 HydrophobicContact CD2-CE1 3.75Å; Y231-F256 VanDerWaalsContact O-CE2 3.28Å; Y231-F256 WeakPolarHBondContact O-CE2 3.42Å; M235-F256 HydrophobicContact CB-CD1 3.89Å; M235-F256 HydrophobicContact CB-CD2 4.2Å; M235-F256 HydrophobicContact CB-CE1 3.73Å; M235-F256 HydrophobicContact CB-CE2 4.06Å; M235-F256 HydrophobicContact CB-CG 4.12Å; M235-F256 HydrophobicContact CB-CZ 3.82Å; M235-F256 HydrophobicContact SD-CB 3.92Å; M235-F256 HydrophobicContact SD-CD1 4.02Å; M235-F256 HydrophobicContact SD-CG 3.94Å; T252-F256 WeakPolarHBondContact O-CB 3.42Å; T252-F256 PolarHBondContact O-N 3.35Å; L253-F256 WeakPolarHBondContact O-CB 3.33Å; L253-F256 PolarHBondContact O-N 2.89Å; L253-F256 VanDerWaalsContact O-N 3.15Å; F256-Q258 PolarHBondContact O-N 3.32Å
257L98.8Very high98.7Very high9 Ų959.1 Ų59.15%0.04727%0.274CS..Hα-helixtrans-70.1-19.6177-66.3-176.8000113.4I72 L89 K178 L180 L253 L254 K255 I259I72-L257 HydrophobicContact CD1-CD1 3.82Å; I72-L257 HydrophobicContact CG1-CD1 4.24Å; I72-L257 HydrophobicContact CG1-CD2 4.14Å; I72-L257 HydrophobicContact CG2-CD1 4.39Å; I72-L257 HydrophobicContact CG2-CD2 4.28Å; L89-L257 HydrophobicContact CD1-CD1 4.39Å; L89-L257 HydrophobicContact CD2-CD1 4.38Å; K178-L257 HydrophobicContact CB-CD2 3.83Å; K178-L257 HydrophobicContact CD-CD2 3.97Å; K178-L257 PolarHBondContact NZ-O 3Å; L180-L257 HydrophobicContact CD1-CD1 4.41Å; L180-L257 HydrophobicContact CD2-CD2 4.46Å; L253-L257 HydrophobicContact CD2-CD1 3.49Å; L253-L257 VanDerWaalsContact CD2-CD1 3.49Å; L253-L257 HydrophobicContact CD2-CG 4.04Å; L253-L257 WeakPolarHBondContact O-CG 3.45Å; L253-L257 PolarHBondContact O-N 3.11Å; L254-L257 CarbonylContact O-C 3.43Å; L254-L257 PolarHBondContact O-N 3.5Å; K255-L257 VanDerWaalsContact C-N 3.32Å; L257-I259 HydrophobicContact CB-CD1 3.93Å; L257-I259 HydrophobicContact CB-CG1 3.97Å; L257-I259 HydrophobicContact CD1-CD1 4.19Å
258Q98.8Very high98.7Very high148 Ų14855.4 Ų55.469%0.69226%0.256SS*.THydrogen-bonded Turntrans6540.9-172.1-55.2163.5-39.200112L254 K255 F256L254-Q258 PolarHBondContact O-N 3.28Å; K255-Q258 PolarHBondContact O-N 3.18Å; K255-Q258 VanDerWaalsContact O-N 3.16Å; F256-Q258 PolarHBondContact O-N 3.32Å
259I98.8Very high98.7Very high11 Ų1149.6 Ų49.66%0.05624%0.235CC..  trans-112.9137.6177-59.6176.8000107.9I72 I95 Y155 L254 L257I72-I259 HydrophobicContact CD1-CD1 3.94Å; I95-I259 HydrophobicContact CD1-CD1 3.67Å; I95-I259 HydrophobicContact CD1-CG2 4.2Å; I95-I259 HydrophobicContact CG1-CD1 4Å; I95-I259 HydrophobicContact CG1-CG2 4.46Å; Y155-I259 HydrophobicContact CD1-CD1 3.87Å; Y155-I259 HydrophobicContact CD1-CG1 4.05Å; Y155-I259 HydrophobicContact CD2-CD1 3.82Å; Y155-I259 HydrophobicContact CD2-CG1 4.03Å; Y155-I259 HydrophobicContact CD2-CG2 4.13Å; Y155-I259 HydrophobicContact CE1-CD1 4.29Å; Y155-I259 HydrophobicContact CE1-CG1 3.94Å; Y155-I259 HydrophobicContact CE2-CB 4.46Å; Y155-I259 HydrophobicContact CE2-CD1 4.26Å; Y155-I259 HydrophobicContact CE2-CG1 3.95Å; Y155-I259 HydrophobicContact CE2-CG2 3.92Å; Y155-I259 HydrophobicContact CG-CD1 3.61Å; Y155-I259 HydrophobicContact CG-CG1 4.09Å; L254-I259 HydrophobicContact CD2-CB 4.08Å; L254-I259 HydrophobicContact CD2-CG2 4.17Å; L254-I259 PolarHBondContact O-N 2.97Å; L257-I259 HydrophobicContact CB-CD1 3.93Å; L257-I259 HydrophobicContact CB-CG1 3.97Å; L257-I259 HydrophobicContact CD1-CD1 4.19Å
260P98.8Very high98.6Very high81 Ų8152.5 Ų52.553%0.52625%0.251SS..  trans-54.2152.4176.4-26.736.1000112.7H92H92-P260 PolarHBondContact NE2-O 3.04Å
261W98.8Very high98.5Very high78 Ų7854.6 Ų54.630%0.29526%0.261SS..  trans-70.6133.3173.9170.6-100.9000110.5E247 M250 R251 L254 V265 L266E247-W261 HydrophobicContact CG-CH2 4.14Å; E247-W261 HydrophobicContact CG-CZ2 4.37Å; M250-W261 HydrophobicContact CB-CH2 4.21Å; M250-W261 HydrophobicContact CB-CZ3 3.72Å; R251-W261 HydrophobicContact CB-CE3 4.38Å; R251-W261 HydrophobicContact CB-CZ3 4.35Å; R251-W261 HydrophobicContact CG-CD2 4.1Å; R251-W261 HydrophobicContact CG-CE3 3.53Å; R251-W261 HydrophobicContact CG-CH2 4.03Å; R251-W261 HydrophobicContact CG-CZ3 3.5Å; L254-W261 HydrophobicContact CD1-CE3 3.77Å; L254-W261 HydrophobicContact CD1-CZ3 4.19Å; W261-V265 HydrophobicContact CH2-CG2 3.71Å; W261-V265 HydrophobicContact CZ2-CG2 4.49Å; W261-V265 HydrophobicContact CZ3-CG2 3.76Å; W261-L266 HydrophobicContact CH2-CD1 3.95Å; W261-L266 HydrophobicContact CH2-CD2 4.31Å; W261-L266 HydrophobicContact CH2-CG 4.03Å; W261-L266 HydrophobicContact CZ2-CD1 4.01Å; W261-L266 HydrophobicContact CZ2-CG 4.4Å
262N98.8Very high98.5Very high56 Ų5650.4 Ų50.430%0.29925%0.247SC..  trans-129.8137.2164.3-163.6-52.8000109.7H92 P93 S264 V265H92-N262 VanDerWaalsContact CD2-CB 3.41Å; H92-N262 WeakPolarHBondContact CD2-CB 3.32Å; H92-N262 WeakPolarHBondContact NE2-CB 3.23Å; P93-N262 WeakPolarHBondContact CD-ND2 3.45Å; P93-N262 WeakPolarHBondContact CG-ND2 3.42Å; N262-S264 VanDerWaalsContact C-N 3.25Å; N262-S264 PolarHBondContact O-N 3.49Å; N262-S264 WeakPolarHBondContact OD1-CB 3.12Å; N262-S264 PolarHBondContact OD1-N 2.84Å; N262-S264 PolarHBondContact OD1-OG 3.41Å; N262-S264 VanDerWaalsContact OD1-OG 3.07Å; N262-V265 VanDerWaalsContact O-CG2 3.25Å; N262-V265 WeakPolarHBondContact O-CG2 3.45Å
263H98.5Very high98.2Very high97 Ų9749.5 Ų49.545%0.44925%0.252SS..G310 helixtrans-69.2-22.5-177.6-167.766.2000113.3V265 L266 H267H263-V265 PolarHBondContact O-N 2.9Å; H263-V265 VanDerWaalsContact O-N 3.09Å; H263-L266 PolarHBondContact O-N 3.47Å; H263-L266 VanDerWaalsContact O-N 3.07Å; H263-H267 AromaticContact CD2-CD2 3.56Å; H263-H267 AromaticContact CD2-NE2 3.27Å; H263-H267 PolarHBondContact CD2-NE2 2.95Å; H263-H267 VanDerWaalsContact CD2-NE2 3.27Å; H263-H267 AromaticContact CE1-NE2 3.81Å; H263-H267 AromaticContact NE2-CD2 3.69Å; H263-H267 AromaticContact NE2-CE1 3.98Å; H263-H267 AromaticContact NE2-NE2 2.9Å; H263-H267 PolarHBondContact NE2-NE2 2.66Å
264S98.5Very high98Very high19 Ų1955.2 Ų55.213%0.13328%0.277CS..G310 helixtrans-58-24.2-179.5620000113.8A91 N262 L266 H267A91-S264 WeakPolarHBondContact CB-O 3.28Å; A91-S264 WeakPolarHBondContact O-CB 3.31Å; A91-S264 PolarHBondContact O-OG 3.39Å; N262-S264 VanDerWaalsContact C-N 3.25Å; N262-S264 PolarHBondContact O-N 3.49Å; N262-S264 WeakPolarHBondContact OD1-CB 3.12Å; N262-S264 PolarHBondContact OD1-N 2.84Å; N262-S264 PolarHBondContact OD1-OG 3.41Å; N262-S264 VanDerWaalsContact OD1-OG 3.07Å; S264-L266 PolarHBondContact O-N 3Å; S264-H267 CarbonylContact O-C 3.53Å; S264-H267 PolarHBondContact O-N 3.46Å
265V98.8Very high97.8Very high0 Ų060.1 Ų60.10%032%0.317CS..G310 helixtrans-62-15.7176.5-54.30000114.2M88 H92 M250 L254 W261 N262 H263M88-V265 WeakPolarHBondContact CE-O 3.48Å; M88-V265 WeakPolarHBondContact O-CA 3.25Å; M88-V265 WeakPolarHBondContact O-CB 3.29Å; M88-V265 WeakPolarHBondContact O-CG1 3.39Å; H92-V265 HydrophobicContact CB-CG1 3.88Å; M250-V265 HydrophobicContact CB-CG2 3.84Å; M250-V265 HydrophobicContact CE-CB 3.85Å; M250-V265 HydrophobicContact CE-CG1 4.25Å; M250-V265 HydrophobicContact CE-CG2 4.13Å; M250-V265 HydrophobicContact CG-CG2 4.01Å; L254-V265 HydrophobicContact CD1-CG1 4.24Å; W261-V265 HydrophobicContact CH2-CG2 3.71Å; W261-V265 HydrophobicContact CZ2-CG2 4.49Å; W261-V265 HydrophobicContact CZ3-CG2 3.76Å; N262-V265 VanDerWaalsContact O-CG2 3.25Å; N262-V265 WeakPolarHBondContact O-CG2 3.45Å; H263-V265 PolarHBondContact O-N 2.9Å; H263-V265 VanDerWaalsContact O-N 3.09Å
266L98.6Very high97.5Very high24 Ų2454.2 Ų54.213%0.12631%0.305CS..G310 helixtrans-94.7-7.9176.2-57.7-178.3000113.5M88 P246 E247 M250 W261 H263 S264M88-L266 HydrophobicContact CE-CD2 4.47Å; P246-L266 HydrophobicContact CB-CD2 4.03Å; E247-L266 HydrophobicContact CB-CD1 3.86Å; E247-L266 HydrophobicContact CB-CD2 4.31Å; E247-L266 HydrophobicContact CG-CD1 4.04Å; M250-L266 HydrophobicContact CB-CD2 4.46Å; M250-L266 HydrophobicContact CG-CD2 4.21Å; W261-L266 HydrophobicContact CH2-CD1 3.95Å; W261-L266 HydrophobicContact CH2-CD2 4.31Å; W261-L266 HydrophobicContact CH2-CG 4.03Å; W261-L266 HydrophobicContact CZ2-CD1 4.01Å; W261-L266 HydrophobicContact CZ2-CG 4.4Å; H263-L266 PolarHBondContact O-N 3.47Å; H263-L266 VanDerWaalsContact O-N 3.07Å; S264-L266 PolarHBondContact O-N 3Å
267H98.2Very high97.3Very high52 Ų5253.1 Ų53.124%0.24130%0.304CS..  trans-128.442.4-175.1-55.3-69.8000110.6H263 S264 E269 E270H263-H267 AromaticContact CD2-CD2 3.56Å; H263-H267 AromaticContact CD2-NE2 3.27Å; H263-H267 PolarHBondContact CD2-NE2 2.95Å; H263-H267 VanDerWaalsContact CD2-NE2 3.27Å; H263-H267 AromaticContact CE1-NE2 3.81Å; H263-H267 AromaticContact NE2-CD2 3.69Å; H263-H267 AromaticContact NE2-CE1 3.98Å; H263-H267 AromaticContact NE2-NE2 2.9Å; H263-H267 PolarHBondContact NE2-NE2 2.66Å; S264-H267 CarbonylContact O-C 3.53Å; S264-H267 PolarHBondContact O-N 3.46Å; H267-E269 WeakPolarHBondContact CA-OE2 3.28Å; H267-E269 PolarHBondContact O-N 2.89Å; H267-E270 HydrophobicContact CB-CB 4.46Å; H267-E270 HydrophobicContact CB-CG 4.23Å; H267-E270 WeakPolarHBondContact O-CB 3.46Å; H267-E270 PolarHBondContact O-N 3.03Å
268H98.4Very high97.3Very high0 Ų052.8 Ų52.80%030%0.302CS..G310 helixtrans-59.9-29.6-175.870.381.2000112.8L84 A91 E270 M271 I272 V278 V290 K292L84-H268 WeakPolarHBondContact CD1-NE2 3.36Å; A91-H268 HydrophobicContact CB-CB 3.93Å; H268-E270 PolarHBondContact O-N 2.97Å; H268-M271 PolarHBondContact O-N 3.11Å; H268-M271 VanDerWaalsContact O-N 3.1Å; H268-I272 WeakPolarHBondContact O-CG1 3.48Å; H268-V278 HydrophobicContact CB-CG2 4.32Å; H268-V290 PolarHBondContact CE1-O 3.46Å; H268-V290 PolarHBondContact ND1-O 3.18Å; H268-K292 PolarHBondContact CE1-O 2.96Å
269E97.6Very high97.3Very high25 Ų2548.5 Ų48.512%0.11729%0.289CS..G310 helixtrans-62.6-30.8176.573.4-76.6-168.400112.5H267 M271 P293 F354H267-E269 WeakPolarHBondContact CA-OE2 3.28Å; H267-E269 PolarHBondContact O-N 2.89Å; E269-M271 VanDerWaalsContact C-N 3.26Å; E269-M271 PolarHBondContact O-N 3.15Å; E269-P293 HydrophobicContact CG-CB 4.15Å; E269-F354 HydrophobicContact CG-CE1 4.31Å
270E97.2Very high97.2Very high110 Ų11048.6 Ų48.651%0.51429%0.289SS..G310 helixtrans-79.7-12.9177.6-56.6-173173.600112H267 H268 K274H267-E270 HydrophobicContact CB-CB 4.46Å; H267-E270 HydrophobicContact CB-CG 4.23Å; H267-E270 WeakPolarHBondContact O-CB 3.46Å; H267-E270 PolarHBondContact O-N 3.03Å; H268-E270 PolarHBondContact O-N 2.97Å; E270-K274 WeakPolarHBondContact O-CD 3.4Å; E270-K274 WeakPolarHBondContact O-CE 3.37Å; E270-K274 PolarHBondContact O-NZ 3.2Å
271M97.7Very high97.1Very high45 Ų4546.1 Ų46.122%0.22227%0.274CS..G310 helixtrans-102.24.1-175.8-60-54.1-67.800113.4A91 H268 E269 G273 K274 G277 V278A91-M271 HydrophobicContact CB-CB 4.13Å; A91-M271 HydrophobicContact CB-CG 4.02Å; H268-M271 PolarHBondContact O-N 3.11Å; H268-M271 VanDerWaalsContact O-N 3.1Å; E269-M271 VanDerWaalsContact C-N 3.26Å; E269-M271 PolarHBondContact O-N 3.15Å; M271-G273 PolarHBondContact O-N 3.37Å; M271-K274 PolarHBondContact O-N 2.61Å; M271-K274 HydrophobicContact SD-CD 4.35Å; M271-G277 CarbonylContact O-C 3.46Å; M271-G277 WeakPolarHBondContact O-CA 3.37Å; M271-V278 HydrophobicContact CB-CG2 4.11Å; M271-V278 PolarHBondContact O-N 2.95Å
272I97.4Very high96.8Very high22 Ų2248.5 Ų48.511%0.11329%0.286CS..BIsolated β-bridgetrans-69.5126.6-177.1-65.7171000111.4H268 K274 V278 L280 I291 F359 L360H268-I272 WeakPolarHBondContact O-CG1 3.48Å; I272-K274 PolarHBondContact O-N 3.21Å; I272-V278 WeakPolarHBondContact CA-O 3.39Å; I272-V278 HydrophobicContact CG1-CB 4.13Å; I272-V278 HydrophobicContact CG1-CG1 4.47Å; I272-L280 HydrophobicContact CD1-CD1 4.05Å; I272-L280 HydrophobicContact CG1-CD1 4.24Å; I272-L280 HydrophobicContact CG2-CD1 3.88Å; I272-L280 HydrophobicContact CG2-CG 4.41Å; I272-I291 VanDerWaalsContact CD1-CA 3.47Å; I272-I291 HydrophobicContact CD1-CB 4.06Å; I272-I291 HydrophobicContact CD1-CG2 4.06Å; I272-F359 HydrophobicContact CG2-CZ 4.04Å; I272-L360 HydrophobicContact CG2-CD1 4.34Å
273G93.6Very high96.5Very high52 Ų5250.7 Ų50.754%0.53630%0.302SS..THydrogen-bonded Turntrans70.74.2179.500000114.8M271 V278M271-G273 PolarHBondContact O-N 3.37Å; G273-V278 PolarHBondContact N-O 3.26Å
274K95Very high96.3Very high121 Ų12147.2 Ų47.253%0.52629%0.286SS..SBendtrans-84.5153.6176.3-65.3-172.3178.6165.40111.1E270 M271 I272 G276 G277E270-K274 WeakPolarHBondContact O-CD 3.4Å; E270-K274 WeakPolarHBondContact O-CE 3.37Å; E270-K274 PolarHBondContact O-NZ 3.2Å; M271-K274 PolarHBondContact O-N 2.61Å; M271-K274 HydrophobicContact SD-CD 4.35Å; I272-K274 PolarHBondContact O-N 3.21Å; K274-G276 PolarHBondContact O-N 2.86Å; K274-G277 PolarHBondContact O-N 3.38Å
275A93.3Very high96.1Very high105 Ų10551.7 Ų51.787%0.86830%0.3SS*.THydrogen-bonded Turntrans-60.4132.1172.400000110.4G277A275-G277 PolarHBondContact O-N 3.39Å
276G92.5Very high96Very high49 Ų4952.6 Ų52.651%0.50531%0.306SS..THydrogen-bonded Turntrans63.621.6-17400000114.1K274K274-G276 PolarHBondContact O-N 2.86Å
277G96.3Very high95.8Very high12 Ų1251.6 Ų51.612%0.12430%0.301CS..SBendtrans-119.9-151.2179.200000113.2D90 M271 K274 A275 S279D90-G277 CarbonylContact O-C 3.6Å; D90-G277 WeakPolarHBondContact O-CA 3.41Å; M271-G277 CarbonylContact O-C 3.46Å; M271-G277 WeakPolarHBondContact O-CA 3.37Å; K274-G277 PolarHBondContact O-N 3.38Å; A275-G277 PolarHBondContact O-N 3.39Å; G277-S279 PolarHBondContact O-N 2.82Å
278V98.3Very high95.6Very high1 Ų151.6 Ų51.61%0.00630%0.303CS..BIsolated β-bridgetrans-87.9108.8-170.9-170.70000111.5A87 D90 A91 H268 M271 I272 G273 L280A87-V278 HydrophobicContact CB-CG1 3.77Å; A87-V278 HydrophobicContact CB-CG2 4.48Å; A87-V278 WeakPolarHBondContact O-CG2 3.42Å; D90-V278 HydrophobicContact CB-CB 4.25Å; D90-V278 HydrophobicContact CB-CG1 4.34Å; D90-V278 HydrophobicContact CB-CG2 3.88Å; A91-V278 HydrophobicContact CB-CG2 4.25Å; H268-V278 HydrophobicContact CB-CG2 4.32Å; M271-V278 HydrophobicContact CB-CG2 4.11Å; M271-V278 PolarHBondContact O-N 2.95Å; I272-V278 WeakPolarHBondContact CA-O 3.39Å; I272-V278 HydrophobicContact CG1-CB 4.13Å; I272-V278 HydrophobicContact CG1-CG1 4.47Å; G273-V278 PolarHBondContact N-O 3.26Å; V278-L280 HydrophobicContact CG1-CD2 3.66Å; V278-L280 HydrophobicContact CG1-CG 4.09Å
279S97.8Very high95.4Very high59 Ų5954 Ų5441%0.41331%0.314SS..  trans-85.5131.1168.7-166.30000111.4R86 E99 G277R86-S279 VanDerWaalsContact CZ-O 3.27Å; R86-S279 PolarHBondContact NH1-O 3.48Å; R86-S279 PolarHBondContact NH2-O 3.32Å; E99-S279 VanDerWaalsContact OE1-CB 3.25Å; E99-S279 WeakPolarHBondContact OE1-CB 3.35Å; E99-S279 PolarHBondContact OE1-OG 3Å; G277-S279 PolarHBondContact O-N 2.82Å
280L97.2Very high95.4Very high12 Ų1253.2 Ų53.26%0.06331%0.311CS..  trans-125.1133-177.4-61-178.9000110.8R86 I272 V278 T287 V290 I291 L360R86-L280 VanDerWaalsContact NH2-CD2 3.27Å; I272-L280 HydrophobicContact CD1-CD1 4.05Å; I272-L280 HydrophobicContact CG1-CD1 4.24Å; I272-L280 HydrophobicContact CG2-CD1 3.88Å; I272-L280 HydrophobicContact CG2-CG 4.41Å; V278-L280 HydrophobicContact CG1-CD2 3.66Å; V278-L280 HydrophobicContact CG1-CG 4.09Å; L280-T287 HydrophobicContact CB-CG2 4.15Å; L280-T287 HydrophobicContact CD1-CG2 4.21Å; L280-V290 HydrophobicContact CD1-CG1 3.66Å; L280-V290 HydrophobicContact CD2-CG1 3.51Å; L280-V290 HydrophobicContact CG-CG1 4.27Å; L280-I291 HydrophobicContact CD1-CG2 3.89Å; L280-L360 HydrophobicContact CB-CD1 4.17Å; L280-L360 HydrophobicContact CB-CD2 4.1Å; L280-L360 HydrophobicContact CD1-CD1 3.92Å; L280-L360 WeakPolarHBondContact O-CD2 3.42Å
281S96.1Very high95.3Very high30 Ų3048.4 Ų48.421%0.2129%0.289CS..  trans-78127.6168.2173.40000110.8V283 E284 T287S281-V283 PolarHBondContact O-N 3.48Å; S281-V283 VanDerWaalsContact OG-CG2 3.27Å; S281-V283 WeakPolarHBondContact OG-CG2 3.35Å; S281-V283 PolarHBondContact OG-N 3.44Å; S281-E284 PolarHBondContact O-N 2.81Å; S281-T287 PolarHBondContact O-OG1 3.46Å
282K93.1Very high95.3Very high127 Ų12749.4 Ų49.455%0.55229%0.292SS*.THydrogen-bonded Turntrans-61.2-23.4175.467.2-169.5176.9-167.10114L360K282-L360 HydrophobicContact CB-CD2 4.4Å
283V93.6Very high95.3Very high103 Ų10348.4 Ų48.462%0.62429%0.286SS*.THydrogen-bonded Turntrans-98-2.2-179.5-61.40000113.7S281S281-V283 PolarHBondContact O-N 3.48Å; S281-V283 VanDerWaalsContact OG-CG2 3.27Å; S281-V283 WeakPolarHBondContact OG-CG2 3.35Å; S281-V283 PolarHBondContact OG-N 3.44Å
284E94.1Very high95.6Very high23 Ų2346.1 Ų46.111%0.10726%0.262CS..SBendtrans-73.9131.8171.8-91-172.6-136.900111.3E99 E100 K159 S281 S286 T287E99-E284 WeakPolarHBondContact CB-OE1 3.3Å; E100-E284 PolarHBondContact N-OE1 2.97Å; K159-E284 IonicContact NZ-OE2 2.79Å; K159-E284 PolarHBondContact NZ-OE2 3.45Å; S281-E284 PolarHBondContact O-N 2.81Å; E284-S286 PolarHBondContact O-N 3.29Å; E284-T287 WeakPolarHBondContact O-CB 3.44Å; E284-T287 PolarHBondContact O-N 3.3Å; E284-T287 VanDerWaalsContact O-N 3.12Å; E284-T287 PolarHBondContact O-OG1 3.12Å
285R94Very high95.7Very high113 Ų11341.6 Ų41.643%0.42624%0.244SC..THydrogen-bonded Turntrans-67.9-6.6-173.7-54.8-56.2-55.9-74.6-0.4115.1R196 K197 V198 Q289R196-R285 PolarHBondContact O-NH1 3.22Å; R196-R285 PolarHBondContact O-NH2 3.36Å; K197-R285 PolarHBondContact O-NH1 2.81Å; V198-R285 HydrophobicContact CG1-CG 4.33Å; V198-R285 HydrophobicContact CG2-CB 3.97Å; V198-R285 HydrophobicContact CG2-CG 4.13Å; R285-Q289 PolarHBondContact O-NE2 2.73Å
286S95.9Very high96Very high19 Ų1937.8 Ų37.813%0.13321%0.21CC..THydrogen-bonded Turntrans-103.1-5.1178.8-58.40000113.6R79 T83 E284 Q289 V290R79-S286 PolarHBondContact NH1-OG 3.05Å; T83-S286 WeakPolarHBondContact OG1-CB 3.47Å; T83-S286 PolarHBondContact OG1-OG 3.34Å; E284-S286 PolarHBondContact O-N 3.29Å; S286-Q289 WeakPolarHBondContact O-CB 3.44Å; S286-Q289 PolarHBondContact O-N 2.84Å; S286-Q289 VanDerWaalsContact O-N 3.09Å; S286-V290 PolarHBondContact O-N 3.37Å
287T94.9Very high96.1Very high4 Ų436.1 Ų36.13%0.02519%0.191CC..Hα-helixtrans-62.3-49.2-170.9-65.60000112.5L280 S281 E284 Q289 V290 I291 L360L280-T287 HydrophobicContact CB-CG2 4.15Å; L280-T287 HydrophobicContact CD1-CG2 4.21Å; S281-T287 PolarHBondContact O-OG1 3.46Å; E284-T287 WeakPolarHBondContact O-CB 3.44Å; E284-T287 PolarHBondContact O-N 3.3Å; E284-T287 VanDerWaalsContact O-N 3.12Å; E284-T287 PolarHBondContact O-OG1 3.12Å; T287-Q289 PolarHBondContact O-N 3.43Å; T287-V290 PolarHBondContact O-N 2.6Å; T287-I291 WeakPolarHBondContact O-CG2 3.35Å; T287-I291 PolarHBondContact O-N 2.9Å; T287-L360 HydrophobicContact CG2-CD1 3.97Å; T287-L360 HydrophobicContact CG2-CD2 4.37Å
288D92.8Very high96.2Very high52 Ų5237 Ų3728%0.27820%0.197SC..Hα-helixtrans-57.5-18.9174.466.4-38.5000114.7R196 K292 L356R196-D288 IonicContact CZ-OD2 3.71Å; R196-D288 IonicContact NH1-OD1 2.69Å; R196-D288 IonicContact NH1-OD2 3.22Å; R196-D288 PolarHBondContact NH1-OD2 3.49Å; R196-D288 IonicContact NH2-OD2 2.88Å; D288-K292 WeakPolarHBondContact O-CE 3.23Å; D288-L356 HydrophobicContact CB-CD1 3.89Å
289Q95.8Very high96.2Very high51 Ų5137.7 Ų37.724%0.23820%0.201CC..Hα-helixtrans-95.2-39.1178.9-57.1123.348.100111.9R285 S286 T287 I291 K292R285-Q289 PolarHBondContact O-NE2 2.73Å; S286-Q289 WeakPolarHBondContact O-CB 3.44Å; S286-Q289 PolarHBondContact O-N 2.84Å; S286-Q289 VanDerWaalsContact O-N 3.09Å; T287-Q289 PolarHBondContact O-N 3.43Å; Q289-I291 VanDerWaalsContact C-N 3.33Å; Q289-K292 WeakPolarHBondContact O-CB 3.39Å; Q289-K292 PolarHBondContact O-N 3.17Å
290V96.1Very high96.2Very high7 Ų737.2 Ų37.24%0.04220%0.197CC..Hα-helixtrans-81.2-11.8-175.578.70000113.3T83 L84 A87 H268 L280 S286 T287 K292T83-V290 HydrophobicContact CG2-CB 4.27Å; T83-V290 HydrophobicContact CG2-CG1 4.14Å; T83-V290 HydrophobicContact CG2-CG2 4.31Å; L84-V290 HydrophobicContact CD1-CG2 4.44Å; A87-V290 HydrophobicContact CB-CG2 3.42Å; A87-V290 VanDerWaalsContact CB-CG2 3.42Å; H268-V290 PolarHBondContact CE1-O 3.46Å; H268-V290 PolarHBondContact ND1-O 3.18Å; L280-V290 HydrophobicContact CD1-CG1 3.66Å; L280-V290 HydrophobicContact CD2-CG1 3.51Å; L280-V290 HydrophobicContact CG-CG1 4.27Å; S286-V290 PolarHBondContact O-N 3.37Å; T287-V290 PolarHBondContact O-N 2.6Å; V290-K292 PolarHBondContact O-N 3.44Å
291I96.4Very high96.2Very high10 Ų1042.5 Ų42.55%0.05122%0.22CC..THydrogen-bonded Turntrans-67.2-14.9167.763.6169.3000113.9I272 L280 T287 Q289 L356 L360I272-I291 VanDerWaalsContact CD1-CA 3.47Å; I272-I291 HydrophobicContact CD1-CB 4.06Å; I272-I291 HydrophobicContact CD1-CG2 4.06Å; L280-I291 HydrophobicContact CD1-CG2 3.89Å; T287-I291 WeakPolarHBondContact O-CG2 3.35Å; T287-I291 PolarHBondContact O-N 2.9Å; Q289-I291 VanDerWaalsContact C-N 3.33Å; I291-L356 HydrophobicContact CD1-CB 4.24Å; I291-L356 HydrophobicContact CD1-CD1 3.69Å; I291-L356 HydrophobicContact CD1-CG 3.79Å; I291-L360 HydrophobicContact CG2-CD1 4.02Å
292K97.7Very high96.3Very high66 Ų6641.2 Ų41.229%0.28721%0.21SC..SBendtrans-95147.6-177.4-62.4169.9-177.1178.90108.7H268 D288 Q289 V290 V349 F354H268-K292 PolarHBondContact CE1-O 2.96Å; D288-K292 WeakPolarHBondContact O-CE 3.23Å; Q289-K292 WeakPolarHBondContact O-CB 3.39Å; Q289-K292 PolarHBondContact O-N 3.17Å; V290-K292 PolarHBondContact O-N 3.44Å; K292-V349 HydrophobicContact CB-CG2 3.96Å; K292-V349 HydrophobicContact CD-CG1 3.95Å; K292-V349 HydrophobicContact CD-CG2 4.38Å; K292-V349 HydrophobicContact CG-CG2 4.34Å; K292-F354 HydrophobicContact CG-CB 4.04Å
293P98Very high96.6Very high0 Ų037.6 Ų37.60%020%0.199CC..PPolyproline II helixtrans-58.2160.8172.328-38000110.6E269 N295 N345 V349 F354E269-P293 HydrophobicContact CG-CB 4.15Å; P293-N295 PolarHBondContact O-N 3.24Å; P293-N295 VanDerWaalsContact O-N 3.12Å; P293-N295 PolarHBondContact O-ND2 3.49Å; P293-N345 HydrophobicContact CB-CB 4.16Å; P293-N345 HydrophobicContact CG-CB 4.04Å; P293-V349 HydrophobicContact CG-CG2 4.1Å; P293-F354 HydrophobicContact CB-CZ 4.49Å; P293-F354 VanDerWaalsContact CD-CE1 3.45Å; P293-F354 VanDerWaalsContact CD-CE2 3.42Å; P293-F354 HydrophobicContact CG-CD2 4.33Å; P293-F354 HydrophobicContact CG-CE1 4.03Å; P293-F354 HydrophobicContact CG-CE2 3.56Å; P293-F354 HydrophobicContact CG-CZ 3.38Å
294V98.4Very high96.8Very high4 Ų436.2 Ų36.22%0.02421%0.205CC..SBendtrans-50.2123.3171.9-177.40000109.8L84 M88 V243 P246 I342 N345L84-V294 HydrophobicContact CD1-CG2 4.28Å; M88-V294 HydrophobicContact CE-CG2 4.07Å; M88-V294 HydrophobicContact SD-CG2 4.07Å; V243-V294 HydrophobicContact CB-CG1 4.01Å; V243-V294 HydrophobicContact CG1-CG1 4.15Å; P246-V294 HydrophobicContact CB-CG1 4.36Å; P246-V294 HydrophobicContact CG-CG1 4.17Å; V294-I342 HydrophobicContact CB-CD1 4.22Å; V294-I342 HydrophobicContact CG1-CD1 4.1Å; V294-N345 WeakPolarHBondContact O-CB 3.43Å; V294-N345 PolarHBondContact O-ND2 3.16Å
295N98.5Very high97Very high27 Ų2741 Ų4114%0.14423%0.225CC..  trans-146.3158.6-176.866.986.6000110.6P293 A297 T346 V349P293-N295 PolarHBondContact O-N 3.24Å; P293-N295 VanDerWaalsContact O-N 3.12Å; P293-N295 PolarHBondContact O-ND2 3.49Å; N295-A297 WeakPolarHBondContact OD1-CB 3.18Å; N295-A297 PolarHBondContact OD1-N 2.79Å; N295-T346 WeakPolarHBondContact CB-OG1 3.41Å; N295-V349 HydrophobicContact CB-CG2 4.29Å
296V98.1Very high97.2Very high25 Ų2536 Ų3615%0.15221%0.208CC..SBendtrans-99.78.6-175.6-70.60000114.1V243 L244 A298 L299 P338 I342 T346V243-V296 HydrophobicContact CG2-CG1 4.19Å; L244-V296 HydrophobicContact CD2-CG1 4.04Å; V296-A298 PolarHBondContact O-N 2.91Å; V296-L299 HydrophobicContact CB-CD1 3.67Å; V296-L299 HydrophobicContact CB-CG 4.06Å; V296-L299 HydrophobicContact CG1-CD1 3.76Å; V296-L299 HydrophobicContact CG1-CG 4.32Å; V296-L299 PolarHBondContact O-N 2.75Å; V296-P338 HydrophobicContact CG1-CB 4.13Å; V296-I342 HydrophobicContact CG1-CG2 3.71Å; V296-T346 HydrophobicContact CG2-CG2 4.16Å; V296-T346 WeakPolarHBondContact CG2-OG1 3.44Å; V296-T346 PolarHBondContact N-OG1 3.41Å; V296-T346 VanDerWaalsContact N-OG1 3.11Å
297A96.3Very high97.4Very high14 Ų1437.4 Ų37.412%0.11622%0.216CC..THydrogen-bonded Turntrans-61.1-22.8-175.400000113.2N295 K301 T346 Y350N295-A297 WeakPolarHBondContact OD1-CB 3.18Å; N295-A297 PolarHBondContact OD1-N 2.79Å; A297-K301 WeakPolarHBondContact O-CD 3.49Å; A297-K301 WeakPolarHBondContact O-CE 3.34Å; A297-K301 WeakPolarHBondContact O-CG 3.45Å; A297-T346 HydrophobicContact CB-CG2 4.46Å; A297-Y350 HydrophobicContact CB-CE1 4.26Å; A297-Y350 WeakPolarHBondContact CB-OH 3.47Å
298A97.6Very high97.5Very high30 Ų3042.2 Ų42.225%0.24825%0.247CC..THydrogen-bonded Turntrans-98.61.1-176.500000114.8R184 V296R184-A298 PolarHBondContact NH2-O 3.3Å; V296-A298 PolarHBondContact O-N 2.91Å
299L98.1Very high97.8Very high16 Ų1643.4 Ų43.48%0.08425%0.253CS..SBendtrans-57-54-176.7-74.2179.7000112.3Y239 E240 V243 L244 V296 Y335Y239-L299 HydrophobicContact CE1-CD2 4.15Å; E240-L299 HydrophobicContact CB-CD2 3.84Å; E240-L299 HydrophobicContact CG-CD2 3.75Å; V243-L299 HydrophobicContact CG2-CD2 3.48Å; V243-L299 VanDerWaalsContact CG2-CD2 3.48Å; V243-L299 HydrophobicContact CG2-CG 4.16Å; L244-L299 HydrophobicContact CD2-CD1 3.85Å; L244-L299 HydrophobicContact CG-CD1 4.25Å; V296-L299 HydrophobicContact CB-CD1 3.67Å; V296-L299 HydrophobicContact CB-CG 4.06Å; V296-L299 HydrophobicContact CG1-CD1 3.76Å; V296-L299 HydrophobicContact CG1-CG 4.32Å; V296-L299 PolarHBondContact O-N 2.75Å; L299-Y335 HydrophobicContact CB-CD2 4.36Å
300S97.8Very high98Very high48 Ų4841.1 Ų41.134%0.33624%0.243SC..SBendtrans-122.119.4-165.9-46.60000114.3W302 V303S300-W302 PolarHBondContact O-N 3.04Å; S300-W302 VanDerWaalsContact O-N 3.08Å; S300-V303 WeakPolarHBondContact O-CB 3.38Å; S300-V303 VanDerWaalsContact O-CG2 3.29Å; S300-V303 WeakPolarHBondContact O-CG2 3.41Å; S300-V303 PolarHBondContact O-N 3.41Å; S300-V303 VanDerWaalsContact O-N 3.15Å
301K97.3Very high98.1Very high124 Ų12443 Ų4354%0.53925%0.253SS..THydrogen-bonded Turntrans-61.5-18-179.6-77.3-177.8168.31690114.5A297 V303A297-K301 WeakPolarHBondContact O-CD 3.49Å; A297-K301 WeakPolarHBondContact O-CE 3.34Å; A297-K301 WeakPolarHBondContact O-CG 3.45Å; K301-V303 VanDerWaalsContact C-N 3.32Å
302W98.6Very high98.2Very high2 Ų250 Ų501%0.00829%0.285CS..THydrogen-bonded Turntrans-76.6-18.9179.667.3-95.1000113.4R187 A188 H191 S300 G304 K305 I306 N331 P332 Y335R187-W302 HydrophobicContact CB-CD2 3.68Å; R187-W302 HydrophobicContact CB-CE3 3.64Å; R187-W302 HydrophobicContact CB-CG 4.26Å; R187-W302 HydrophobicContact CB-CH2 4.13Å; R187-W302 HydrophobicContact CB-CZ2 4.15Å; R187-W302 HydrophobicContact CB-CZ3 3.88Å; R187-W302 VanDerWaalsContact CD-CH2 3.43Å; R187-W302 HydrophobicContact CG-CE3 4.41Å; R187-W302 HydrophobicContact CG-CH2 4.36Å; R187-W302 HydrophobicContact CG-CZ3 4.19Å; A188-W302 HydrophobicContact CB-CG 4.27Å; H191-W302 HydrophobicContact CB-CB 3.52Å; S300-W302 PolarHBondContact O-N 3.04Å; S300-W302 VanDerWaalsContact O-N 3.08Å; W302-G304 PolarHBondContact O-N 3.12Å; W302-K305 VanDerWaalsContact O-CB 3.29Å; W302-K305 WeakPolarHBondContact O-CB 3.41Å; W302-K305 PolarHBondContact O-N 2.94Å; W302-I306 HydrophobicContact CE3-CD1 3.59Å; W302-I306 HydrophobicContact CE3-CG1 4.21Å; W302-I306 HydrophobicContact CZ3-CD1 3.9Å; W302-N331 HydrophobicContact CH2-CB 4.47Å; W302-N331 WeakPolarHBondContact CH2-OD1 3.22Å; W302-N331 WeakPolarHBondContact CZ3-OD1 3.48Å; W302-P332 HydrophobicContact CZ2-CB 3.84Å; W302-Y335 PolarHBondContact NE1-OH 2.88Å
303V98.4Very high98.2Very high52 Ų5249.5 Ų49.532%0.31529%0.286SS..THydrogen-bonded Turntrans-62131.8-177.1178.50000109.8S300 K301 K305 P332S300-V303 WeakPolarHBondContact O-CB 3.38Å; S300-V303 VanDerWaalsContact O-CG2 3.29Å; S300-V303 WeakPolarHBondContact O-CG2 3.41Å; S300-V303 PolarHBondContact O-N 3.41Å; S300-V303 VanDerWaalsContact O-N 3.15Å; K301-V303 VanDerWaalsContact C-N 3.32Å; V303-K305 VanDerWaalsContact C-N 3.28Å; V303-K305 PolarHBondContact O-N 3.42Å; V303-P332 HydrophobicContact CG2-CB 3.6Å; V303-P332 HydrophobicContact CG2-CG 3.77Å
304G98.1Very high98.3Very high73 Ų7349.5 Ų49.575%0.75329%0.286SS*.THydrogen-bonded Turntrans75.58.1-176.600000115.1W302W302-G304 PolarHBondContact O-N 3.12Å
305K98.6Very high98.3Very high123 Ų12350.5 Ų50.554%0.53529%0.294SS..  trans-107.1-14-179.8-52-63.4-176.6172.20114.1Y208 W302 V303Y208-K305 PolarHBondContact OH-O 3.22Å; W302-K305 VanDerWaalsContact O-CB 3.29Å; W302-K305 WeakPolarHBondContact O-CB 3.41Å; W302-K305 PolarHBondContact O-N 2.94Å; V303-K305 VanDerWaalsContact C-N 3.28Å; V303-K305 PolarHBondContact O-N 3.42Å
306I98.6Very high98.3Very high10 Ų1055.1 Ų55.15%0.05132%0.323CS..SBendtrans-89.6132.8-178.4-58.3-176.1000108.7R187 Y208 W302 V310 L311 M314R187-I306 HydrophobicContact CB-CD1 3.61Å; R187-I306 HydrophobicContact CG-CD1 3.69Å; Y208-I306 HydrophobicContact CD1-CB 4.49Å; Y208-I306 HydrophobicContact CD1-CG1 3.94Å; Y208-I306 HydrophobicContact CD1-CG2 4.41Å; Y208-I306 HydrophobicContact CE1-CG1 3.9Å; W302-I306 HydrophobicContact CE3-CD1 3.59Å; W302-I306 HydrophobicContact CE3-CG1 4.21Å; W302-I306 HydrophobicContact CZ3-CD1 3.9Å; I306-V310 HydrophobicContact CG2-CB 3.8Å; I306-V310 HydrophobicContact CG2-CG1 3.64Å; I306-L311 HydrophobicContact CB-CD2 3.82Å; I306-L311 HydrophobicContact CB-CG 4.05Å; I306-L311 HydrophobicContact CD1-CD2 4.36Å; I306-L311 HydrophobicContact CG2-CD2 3.8Å; I306-L311 HydrophobicContact CG2-CG 3.88Å; I306-M314 HydrophobicContact CD1-CE 4.06Å; I306-M314 HydrophobicContact CG2-CE 4.16Å
307P98.8Very high98.3Very high47 Ų4754.6 Ų54.631%0.30532%0.319SS..  trans-55.2143176.1-28.436.9000113.1Y208 D309 V310 L311Y208-P307 HydrophobicContact CD2-CG 4.21Å; P307-D309 VanDerWaalsContact C-N 3.32Å; P307-D309 WeakPolarHBondContact CB-OD1 3.4Å; P307-D309 PolarHBondContact O-N 3.32Å; P307-V310 HydrophobicContact CB-CG2 4.19Å; P307-V310 HydrophobicContact CG-CG2 4.47Å; P307-V310 WeakPolarHBondContact O-CB 3.48Å; P307-V310 PolarHBondContact O-N 2.9Å; P307-V310 VanDerWaalsContact O-N 3.1Å; P307-L311 PolarHBondContact O-N 3.13Å
308P98.5Very high98.4Very high105 Ų10553.9 Ų53.968%0.68231%0.314SS*.Hα-helixtrans-57.9-36.7-176.9-26.935000114.8V310 L311 Q312P308-V310 VanDerWaalsContact C-N 3.3Å; P308-V310 PolarHBondContact O-N 3.2Å; P308-L311 WeakPolarHBondContact O-CB 3.49Å; P308-L311 PolarHBondContact O-N 3.37Å; P308-Q312 PolarHBondContact O-N 3.01Å
309D98.6Very high98.5Very high77 Ų7755 Ų5541%0.41232%0.319SS..Hα-helixtrans-63.8-37.9177.571-65.6000111.6R209 P307 Q312 D313R209-D309 IonicContact CZ-OD2 3.31Å; R209-D309 IonicContact NE-OD2 2.81Å; R209-D309 PolarHBondContact NH2-O 3.15Å; R209-D309 IonicContact NH2-OD2 2.71Å; R209-D309 PolarHBondContact NH2-OD2 3.28Å; P307-D309 VanDerWaalsContact C-N 3.32Å; P307-D309 WeakPolarHBondContact CB-OD1 3.4Å; P307-D309 PolarHBondContact O-N 3.32Å; D309-Q312 PolarHBondContact O-N 3.04Å; D309-D313 PolarHBondContact O-N 2.83Å; D309-D313 VanDerWaalsContact O-N 3.16Å
310V98.8Very high98.5Very high4 Ų454.3 Ų54.32%0.02432%0.315CS..Hα-helixtrans-71.9-35.4177178.50000110.9R209 L212 I306 P307 P308 D313 M314 I317R209-V310 HydrophobicContact CB-CG2 4.02Å; L212-V310 HydrophobicContact CD1-CG1 3.45Å; L212-V310 VanDerWaalsContact CD1-CG1 3.45Å; I306-V310 HydrophobicContact CG2-CB 3.8Å; I306-V310 HydrophobicContact CG2-CG1 3.64Å; P307-V310 HydrophobicContact CB-CG2 4.19Å; P307-V310 HydrophobicContact CG-CG2 4.47Å; P307-V310 WeakPolarHBondContact O-CB 3.48Å; P307-V310 PolarHBondContact O-N 2.9Å; P307-V310 VanDerWaalsContact O-N 3.1Å; P308-V310 VanDerWaalsContact C-N 3.3Å; P308-V310 PolarHBondContact O-N 3.2Å; V310-D313 PolarHBondContact O-N 3.42Å; V310-M314 HydrophobicContact CG1-CE 4.28Å; V310-M314 WeakPolarHBondContact O-CA 3.41Å; V310-M314 PolarHBondContact O-N 3.13Å; V310-M314 VanDerWaalsContact O-N 3.1Å; V310-I317 HydrophobicContact CB-CD1 4.44Å; V310-I317 HydrophobicContact CG1-CD1 3.88Å
311L98.6Very high98.6Very high47 Ų4752 Ų5225%0.24630%0.299CS..Hα-helixtrans-65-43.2173.6-70.5177.1000111.7I306 P307 P308 D313 M314 N331I306-L311 HydrophobicContact CB-CD2 3.82Å; I306-L311 HydrophobicContact CB-CG 4.05Å; I306-L311 HydrophobicContact CD1-CD2 4.36Å; I306-L311 HydrophobicContact CG2-CD2 3.8Å; I306-L311 HydrophobicContact CG2-CG 3.88Å; P307-L311 PolarHBondContact O-N 3.13Å; P308-L311 WeakPolarHBondContact O-CB 3.49Å; P308-L311 PolarHBondContact O-N 3.37Å; L311-D313 VanDerWaalsContact C-N 3.28Å; L311-D313 PolarHBondContact O-N 3.36Å; L311-M314 HydrophobicContact CD2-CE 3.91Å; L311-M314 VanDerWaalsContact O-CB 3.31Å; L311-M314 WeakPolarHBondContact O-CB 3.47Å; L311-M314 PolarHBondContact O-N 3Å; L311-N331 VanDerWaalsContact CD2-OD1 3.28Å; L311-N331 WeakPolarHBondContact CD2-OD1 3.47Å
312Q98.6Very high98.7Very high156 Ų15649 Ų4973%0.72930%0.297SS*.Hα-helixtrans-59.5-40.9177-177.3175.2-4.500111.7P308 D309P308-Q312 PolarHBondContact O-N 3.01Å; D309-Q312 PolarHBondContact O-N 3.04Å
313D98.8Very high98.7Very high56 Ų5655.6 Ų55.630%0.29933%0.325SS..THydrogen-bonded Turntrans-91.98.2-177.9-66.6-19.2000113.8R209 D309 V310 L311 A315 V316 I317R209-D313 IonicContact CZ-OD2 3.92Å; R209-D313 VanDerWaalsContact CZ-OD2 3.22Å; R209-D313 IonicContact NH1-OD2 3.61Å; R209-D313 PolarHBondContact NH1-OD2 2.94Å; R209-D313 IonicContact NH2-OD2 3.21Å; R209-D313 PolarHBondContact NH2-OD2 2.94Å; D309-D313 PolarHBondContact O-N 2.83Å; D309-D313 VanDerWaalsContact O-N 3.16Å; V310-D313 PolarHBondContact O-N 3.42Å; L311-D313 VanDerWaalsContact C-N 3.28Å; L311-D313 PolarHBondContact O-N 3.36Å; D313-A315 VanDerWaalsContact C-N 3.3Å; D313-A315 PolarHBondContact O-N 3.27Å; D313-A315 VanDerWaalsContact O-N 3.16Å; D313-V316 WeakPolarHBondContact O-CA 3.15Å; D313-V316 WeakPolarHBondContact O-CB 3.18Å; D313-V316 PolarHBondContact O-N 3.29Å; D313-I317 HydrophobicContact CB-CD1 3.66Å; D313-I317 HydrophobicContact CB-CG1 3.94Å; D313-I317 WeakPolarHBondContact O-CG1 3.38Å; D313-I317 PolarHBondContact O-N 2.99Å
314M98.8Very high98.7Very high0 Ų053.6 Ų53.60%031%0.313CS..Hα-helixtrans-54.4-43.2-167.5-172.963.46300113.3R187 L212 I306 V310 L311 V316 I317 A318 L321 P328R187-M314 HydrophobicContact CG-CE 3.73Å; R187-M314 HydrophobicContact CG-SD 3.73Å; L212-M314 HydrophobicContact CD1-CE 3.87Å; L212-M314 HydrophobicContact CD1-SD 3.89Å; L212-M314 HydrophobicContact CD2-SD 4.3Å; I306-M314 HydrophobicContact CD1-CE 4.06Å; I306-M314 HydrophobicContact CG2-CE 4.16Å; V310-M314 HydrophobicContact CG1-CE 4.28Å; V310-M314 WeakPolarHBondContact O-CA 3.41Å; V310-M314 PolarHBondContact O-N 3.13Å; V310-M314 VanDerWaalsContact O-N 3.1Å; L311-M314 HydrophobicContact CD2-CE 3.91Å; L311-M314 VanDerWaalsContact O-CB 3.31Å; L311-M314 WeakPolarHBondContact O-CB 3.47Å; L311-M314 PolarHBondContact O-N 3Å; M314-V316 VanDerWaalsContact C-N 3.28Å; M314-V316 PolarHBondContact O-N 2.95Å; M314-I317 PolarHBondContact O-N 3.09Å; M314-A318 PolarHBondContact O-N 3.16Å; M314-A318 HydrophobicContact SD-CB 4.48Å; M314-L321 HydrophobicContact CG-CD1 3.65Å; M314-L321 HydrophobicContact SD-CD1 3.67Å; M314-P328 HydrophobicContact CB-CB 4.44Å; M314-P328 HydrophobicContact CG-CB 4.02Å; M314-P328 VanDerWaalsContact CG-O 3.3Å; M314-P328 WeakPolarHBondContact CG-O 3.35Å
315A98.6Very high98.7Very high25 Ų2553.4 Ų53.421%0.20731%0.312CS..Hα-helixtrans-67-28.8179.600000113.2D313 P328 Y329D313-A315 VanDerWaalsContact C-N 3.3Å; D313-A315 PolarHBondContact O-N 3.27Å; D313-A315 VanDerWaalsContact O-N 3.16Å; A315-P328 HydrophobicContact CB-CB 4.08Å; A315-P328 HydrophobicContact CB-CG 3.91Å; A315-Y329 HydrophobicContact CB-CE1 4.19Å; A315-Y329 HydrophobicContact CB-CE2 4.21Å; A315-Y329 VanDerWaalsContact CB-OH 3.29Å; A315-Y329 WeakPolarHBondContact CB-OH 3.35Å
316V98.7Very high98.7Very high123 Ų12348 Ų4875%0.74529%0.288SS*.Hα-helixtrans-81-44177.5-179.20000110.6D313 M314D313-V316 WeakPolarHBondContact O-CA 3.15Å; D313-V316 WeakPolarHBondContact O-CB 3.18Å; D313-V316 PolarHBondContact O-N 3.29Å; M314-V316 VanDerWaalsContact C-N 3.28Å; M314-V316 PolarHBondContact O-N 2.95Å
317I98.8Very high98.7Very high14 Ų1451.3 Ų51.37%0.07231%0.306CS..Hα-helixtrans-66.7-41.4-179.8-64.5167.5000110.9R209 L212 V310 D313 M314R209-I317 HydrophobicContact CG-CD1 3.99Å; R209-I317 HydrophobicContact CG-CG1 4.39Å; L212-I317 HydrophobicContact CB-CG2 3.49Å; L212-I317 VanDerWaalsContact CB-CG2 3.49Å; V310-I317 HydrophobicContact CB-CD1 4.44Å; V310-I317 HydrophobicContact CG1-CD1 3.88Å; D313-I317 HydrophobicContact CB-CD1 3.66Å; D313-I317 HydrophobicContact CB-CG1 3.94Å; D313-I317 WeakPolarHBondContact O-CG1 3.38Å; D313-I317 PolarHBondContact O-N 2.99Å; M314-I317 PolarHBondContact O-N 3.09Å
318A98.8Very high98.7Very high0 Ų049.7 Ų49.70%030%0.295CS..  trans-134.661.4-168.200000112.9W215 N216 M314 M320 L321W215-A318 HydrophobicContact CE3-CB 4.27Å; W215-A318 HydrophobicContact CZ3-CB 4Å; N216-A318 HydrophobicContact CB-CB 4.43Å; N216-A318 WeakPolarHBondContact OD1-CA 3.15Å; M314-A318 PolarHBondContact O-N 3.16Å; M314-A318 HydrophobicContact SD-CB 4.48Å; A318-M320 PolarHBondContact O-N 3.36Å; A318-M320 VanDerWaalsContact O-N 3.08Å; A318-L321 HydrophobicContact CB-CD1 3.77Å; A318-L321 HydrophobicContact CB-CG 4Å; A318-L321 WeakPolarHBondContact O-CB 3.28Å; A318-L321 WeakPolarHBondContact O-CG 3.42Å; A318-L321 PolarHBondContact O-N 2.84Å
319P98.9Very high98.7Very high54 Ų5452.1 Ų52.135%0.35129%0.292SS..THydrogen-bonded Turntrans-60.6-20.5179.625.8-36.8000113.8N216 L321 A322 K323N216-P319 VanDerWaalsContact OD1-CD 3.28Å; N216-P319 WeakPolarHBondContact OD1-CD 3.42Å; P319-L321 PolarHBondContact O-N 3.47Å; P319-A322 PolarHBondContact O-N 3.12Å; P319-K323 PolarHBondContact O-N 3.01Å
320M98.9Very high98.7Very high1 Ų149.5 Ų49.51%0.00528%0.281CS..Hα-helixtrans-63.1-22.1172.7-74.1-61-60.300113.2W215 N216 I219 E220 Y223 A318 K323 L324W215-M320 HydrophobicContact CH2-CB 4.1Å; W215-M320 HydrophobicContact CZ3-CB 4.04Å; N216-M320 WeakPolarHBondContact OD1-CB 3.38Å; N216-M320 VanDerWaalsContact OD1-CG 3.23Å; N216-M320 WeakPolarHBondContact OD1-CG 3.46Å; N216-M320 PolarHBondContact OD1-N 3.37Å; I219-M320 HydrophobicContact CG2-CB 3.79Å; I219-M320 HydrophobicContact CG2-CE 4.46Å; I219-M320 HydrophobicContact CG2-CG 3.93Å; E220-M320 HydrophobicContact CB-CG 3.8Å; E220-M320 HydrophobicContact CB-SD 3.84Å; E220-M320 HydrophobicContact CG-CG 4.47Å; E220-M320 HydrophobicContact CG-SD 4.02Å; Y223-M320 HydrophobicContact CD1-CE 3.9Å; Y223-M320 HydrophobicContact CD2-CE 4.48Å; Y223-M320 HydrophobicContact CG-CE 3.81Å; A318-M320 PolarHBondContact O-N 3.36Å; A318-M320 VanDerWaalsContact O-N 3.08Å; M320-K323 HydrophobicContact CE-CB 4.45Å; M320-K323 PolarHBondContact O-N 3.48Å; M320-K323 HydrophobicContact SD-CB 4.28Å; M320-K323 HydrophobicContact SD-CD 3.51Å; M320-K323 VanDerWaalsContact SD-CD 3.51Å; M320-L324 HydrophobicContact CB-CD1 4.19Å; M320-L324 HydrophobicContact CE-CD1 3.92Å; M320-L324 HydrophobicContact CE-CD2 4.16Å; M320-L324 HydrophobicContact CE-CG 3.93Å; M320-L324 VanDerWaalsContact O-CB 3.26Å; M320-L324 WeakPolarHBondContact O-CB 3.48Å; M320-L324 WeakPolarHBondContact O-CD1 3.38Å; M320-L324 WeakPolarHBondContact O-CG 3.4Å; M320-L324 PolarHBondContact O-N 3.06Å
321L98.9Very high98.6Very high0 Ų052.5 Ų52.50%030%0.297CS..Hα-helixtrans-55-56.1173.2-71.7171.4000110.5D185 R187 W215 M314 A318 P319 K323 L324 G325 Y326 P328D185-L321 WeakPolarHBondContact OD1-CD2 3.46Å; R187-L321 HydrophobicContact CG-CD1 4.4Å; W215-L321 HydrophobicContact CH2-CD2 3.74Å; W215-L321 HydrophobicContact CH2-CG 4.05Å; W215-L321 HydrophobicContact CZ2-CD2 4.46Å; W215-L321 HydrophobicContact CZ3-CD2 4.13Å; W215-L321 HydrophobicContact CZ3-CG 4.04Å; M314-L321 HydrophobicContact CG-CD1 3.65Å; M314-L321 HydrophobicContact SD-CD1 3.67Å; A318-L321 HydrophobicContact CB-CD1 3.77Å; A318-L321 HydrophobicContact CB-CG 4Å; A318-L321 WeakPolarHBondContact O-CB 3.28Å; A318-L321 WeakPolarHBondContact O-CG 3.42Å; A318-L321 PolarHBondContact O-N 2.84Å; P319-L321 PolarHBondContact O-N 3.47Å; L321-K323 PolarHBondContact O-N 3.47Å; L321-L324 CarbonylContact O-C 3.56Å; L321-L324 PolarHBondContact O-N 2.86Å; L321-L324 VanDerWaalsContact O-N 3.13Å; L321-G325 PolarHBondContact O-N 3.34Å; L321-Y326 CarbonylContact C-O 3.56Å; L321-Y326 HydrophobicContact CD2-CD2 4.23Å; L321-Y326 HydrophobicContact CD2-CG 4.36Å; L321-Y326 WeakPolarHBondContact O-CA 3.5Å; L321-Y326 PolarHBondContact O-N 3.38Å; L321-Y326 VanDerWaalsContact O-O 3.13Å; L321-P328 HydrophobicContact CB-CB 4.4Å; L321-P328 HydrophobicContact CD1-CB 4.26Å
322A98.8Very high98.5Very high60 Ų6052.7 Ų52.750%0.49630%0.301SS..Hα-helixtrans-63.1-43-179.600000112P319 L324 G325 Y326P319-A322 PolarHBondContact O-N 3.12Å; A322-L324 PolarHBondContact O-N 3.47Å; A322-G325 PolarHBondContact O-N 3.43Å; A322-Y326 WeakPolarHBondContact CA-O 3.41Å; A322-Y326 PolarHBondContact N-O 2.89Å
323K98.7Very high98.3Very high140 Ų14046 Ų4661%0.60927%0.271SS*.Hα-helixtrans-59.4-30176.3-73.2171.3175.8-92.10113P319 M320 L321P319-K323 PolarHBondContact O-N 3.01Å; M320-K323 HydrophobicContact CE-CB 4.45Å; M320-K323 PolarHBondContact O-N 3.48Å; M320-K323 HydrophobicContact SD-CB 4.28Å; M320-K323 HydrophobicContact SD-CD 3.51Å; M320-K323 VanDerWaalsContact SD-CD 3.51Å; L321-K323 PolarHBondContact O-N 3.47Å
324L98.7Very high98.2Very high10 Ų1050.3 Ų50.35%0.05229%0.294CS..THydrogen-bonded Turntrans-96.410.4179.2-62.7165.7000112.5V183 W215 I219 Y223 L236 H238 M320 L321 A322 Y326V183-L324 HydrophobicContact CG1-CB 4.25Å; V183-L324 HydrophobicContact CG1-CD1 3.85Å; V183-L324 HydrophobicContact CG1-CD2 4.11Å; V183-L324 HydrophobicContact CG1-CG 4.29Å; V183-L324 HydrophobicContact CG2-CD2 4.48Å; W215-L324 HydrophobicContact CH2-CD1 4.34Å; W215-L324 HydrophobicContact CZ2-CD1 4.47Å; I219-L324 HydrophobicContact CG1-CD1 3.87Å; I219-L324 HydrophobicContact CG2-CD1 4.35Å; Y223-L324 HydrophobicContact CD2-CD2 3.68Å; Y223-L324 HydrophobicContact CE2-CD2 3.94Å; Y223-L324 HydrophobicContact CG-CD2 4.41Å; L236-L324 HydrophobicContact CD2-CD2 4.2Å; H238-L324 PolarHBondContact CE1-O 2.97Å; H238-L324 VanDerWaalsContact CE1-O 3.28Å; M320-L324 HydrophobicContact CB-CD1 4.19Å; M320-L324 HydrophobicContact CE-CD1 3.92Å; M320-L324 HydrophobicContact CE-CD2 4.16Å; M320-L324 HydrophobicContact CE-CG 3.93Å; M320-L324 VanDerWaalsContact O-CB 3.26Å; M320-L324 WeakPolarHBondContact O-CB 3.48Å; M320-L324 WeakPolarHBondContact O-CD1 3.38Å; M320-L324 WeakPolarHBondContact O-CG 3.4Å; M320-L324 PolarHBondContact O-N 3.06Å; L321-L324 CarbonylContact O-C 3.56Å; L321-L324 PolarHBondContact O-N 2.86Å; L321-L324 VanDerWaalsContact O-N 3.13Å; A322-L324 PolarHBondContact O-N 3.47Å; L324-Y326 HydrophobicContact CB-CD2 3.84Å; L324-Y326 HydrophobicContact CB-CE2 3.79Å
325G98.6Very high98.2Very high70 Ų7051.1 Ų51.172%0.72230%0.297SS*.THydrogen-bonded Turntrans80.813176.300000115.4L321 A322L321-G325 PolarHBondContact O-N 3.34Å; A322-G325 PolarHBondContact O-N 3.43Å
326Y98.8Very high98.1Very high9 Ų951.5 Ų51.54%0.03530%0.304CS..  trans-94.2117.1170.4-53.5-72.8000109.6V183 D185 H238 E240 L321 A322 L324 P328 Y335V183-Y326 HydrophobicContact CG1-CE2 3.87Å; D185-Y326 HydrophobicContact CB-CD1 3.92Å; D185-Y326 HydrophobicContact CB-CE1 3.97Å; D185-Y326 HydrophobicContact CB-CG 4.34Å; H238-Y326 AromaticContact ND1-CZ 3.73Å; H238-Y326 PolarHBondContact ND1-OH 2.98Å; E240-Y326 PolarHBondContact OE2-OH 2.85Å; L321-Y326 CarbonylContact C-O 3.56Å; L321-Y326 HydrophobicContact CD2-CD2 4.23Å; L321-Y326 HydrophobicContact CD2-CG 4.36Å; L321-Y326 WeakPolarHBondContact O-CA 3.5Å; L321-Y326 PolarHBondContact O-N 3.38Å; L321-Y326 VanDerWaalsContact O-O 3.13Å; A322-Y326 WeakPolarHBondContact CA-O 3.41Å; A322-Y326 PolarHBondContact N-O 2.89Å; L324-Y326 HydrophobicContact CB-CD2 3.84Å; L324-Y326 HydrophobicContact CB-CE2 3.79Å; Y326-P328 VanDerWaalsContact O-CD 3.28Å; Y326-P328 WeakPolarHBondContact O-CD 3.32Å; Y326-P328 VanDerWaalsContact O-N 3.16Å; Y326-Y335 HydrophobicContact CD1-CE1 4Å; Y326-Y335 HydrophobicContact CE1-CD1 4.46Å; Y326-Y335 HydrophobicContact CE1-CE1 4.18Å
327D98.7Very high98.1Very high80 Ų8054 Ų5443%0.42830%0.304SS..  trans-61116.6171.3-179.7-10.9000109.4R187 Y329 A330R187-D327 PolarHBondContact NH1-O 3.17Å; R187-D327 PolarHBondContact NH2-O 2.9Å; D327-Y329 PolarHBondContact O-N 2.96Å; D327-Y329 PolarHBondContact OD1-N 3.39Å; D327-A330 HydrophobicContact CB-CB 3.8Å; D327-A330 PolarHBondContact OD1-N 2.87Å
328P98.6Very high98Very high13 Ų1354.9 Ų54.98%0.08431%0.311CS..SBendtrans-69.3-18-178.129.2-34.5000113R187 M314 A315 L321 Y326R187-P328 PolarHBondContact NH1-O 3.28Å; M314-P328 HydrophobicContact CB-CB 4.44Å; M314-P328 HydrophobicContact CG-CB 4.02Å; M314-P328 VanDerWaalsContact CG-O 3.3Å; M314-P328 WeakPolarHBondContact CG-O 3.35Å; A315-P328 HydrophobicContact CB-CB 4.08Å; A315-P328 HydrophobicContact CB-CG 3.91Å; L321-P328 HydrophobicContact CB-CB 4.4Å; L321-P328 HydrophobicContact CD1-CB 4.26Å; Y326-P328 VanDerWaalsContact O-CD 3.28Å; Y326-P328 WeakPolarHBondContact O-CD 3.32Å; Y326-P328 VanDerWaalsContact O-N 3.16Å
329Y98.3Very high98Very high155 Ų15557.3 Ų57.361%0.60832%0.324SS*.SBendtrans-98.3-20.2-179-57.3-67.2000113.3A315 D327 N331A315-Y329 HydrophobicContact CB-CE1 4.19Å; A315-Y329 HydrophobicContact CB-CE2 4.21Å; A315-Y329 VanDerWaalsContact CB-OH 3.29Å; A315-Y329 WeakPolarHBondContact CB-OH 3.35Å; D327-Y329 PolarHBondContact O-N 2.96Å; D327-Y329 PolarHBondContact OD1-N 3.39Å; Y329-N331 PolarHBondContact O-ND2 3.45Å
330A98.3Very high97.9Very high23 Ų2359.9 Ų59.919%0.1934%0.341CS..  trans-72.7135.6174.500000112.5R187 D327 P333R187-A330 PolarHBondContact NH1-O 2.91Å; D327-A330 HydrophobicContact CB-CB 3.8Å; D327-A330 PolarHBondContact OD1-N 2.87Å; A330-P333 HydrophobicContact CB-CB 4.29Å; A330-P333 HydrophobicContact CB-CG 4.16Å; A330-P333 WeakPolarHBondContact O-CD 3.3Å
331N97.1Very high97.7Very high66 Ų6665.2 Ų65.235%0.35336%0.364SS..SBendtrans-134.380.3-175.2-78.1-84.3000112.2W302 L311 Y329W302-N331 HydrophobicContact CH2-CB 4.47Å; W302-N331 WeakPolarHBondContact CH2-OD1 3.22Å; W302-N331 WeakPolarHBondContact CZ3-OD1 3.48Å; L311-N331 VanDerWaalsContact CD2-OD1 3.28Å; L311-N331 WeakPolarHBondContact CD2-OD1 3.47Å; Y329-N331 PolarHBondContact O-ND2 3.45Å
332P96.8Very high97.7Very high52 Ų5265.6 Ų65.634%0.33837%0.366SS..SBendcis-89.6168.2-1.335.8-31.4000112.6W302 V303 Y335W302-P332 HydrophobicContact CZ2-CB 3.84Å; V303-P332 HydrophobicContact CG2-CB 3.6Å; V303-P332 HydrophobicContact CG2-CG 3.77Å; P332-Y335 HydrophobicContact CB-CE2 4.01Å
333P94.7Very high97.6Very high14 Ų1466.1 Ų66.19%0.09136%0.36CS..  trans-57.9153.7160.2-18.930.7000111.8A330 Y335A330-P333 HydrophobicContact CB-CB 4.29Å; A330-P333 HydrophobicContact CB-CG 4.16Å; A330-P333 WeakPolarHBondContact O-CD 3.3Å; P333-Y335 HydrophobicContact CB-CD1 4.27Å; P333-Y335 HydrophobicContact CB-CE1 3.98Å; P333-Y335 HydrophobicContact CG-CE1 3.96Å; P333-Y335 PolarHBondContact O-N 3.04Å; P333-Y335 VanDerWaalsContact O-N 3.07Å
334N96.8Very high97.4Very high147 Ų14763.4 Ų63.479%0.78635%0.349SS*.  trans-75.995.6167.1-177.44.1000109.6G336N334-G336 PolarHBondContact O-N 3.21Å; N334-G336 PolarHBondContact OD1-N 2.97Å
335Y97.6Very high97.3Very high18 Ų1863.5 Ų63.57%0.07135%0.35CS..  trans-69.5-15.4178.6-55.7-60.2000113.7D185 E240 Q241 L244 L299 W302 Y326 P332 P333D185-Y335 HydrophobicContact CB-CE1 4.19Å; D185-Y335 PolarHBondContact OD2-OH 2.9Å; E240-Y335 HydrophobicContact CB-CD1 4.21Å; E240-Y335 HydrophobicContact CB-CG 4.18Å; E240-Y335 HydrophobicContact CG-CD1 3.72Å; E240-Y335 HydrophobicContact CG-CD2 4.38Å; E240-Y335 HydrophobicContact CG-CE1 4.06Å; E240-Y335 HydrophobicContact CG-CG 3.89Å; Q241-Y335 PolarHBondContact NE2-O 3.41Å; L244-Y335 WeakPolarHBondContact CD1-O 3.23Å; L299-Y335 HydrophobicContact CB-CD2 4.36Å; W302-Y335 PolarHBondContact NE1-OH 2.88Å; Y326-Y335 HydrophobicContact CD1-CE1 4Å; Y326-Y335 HydrophobicContact CE1-CD1 4.46Å; Y326-Y335 HydrophobicContact CE1-CE1 4.18Å; P332-Y335 HydrophobicContact CB-CE2 4.01Å; P333-Y335 HydrophobicContact CB-CD1 4.27Å; P333-Y335 HydrophobicContact CB-CE1 3.98Å; P333-Y335 HydrophobicContact CG-CE1 3.96Å; P333-Y335 PolarHBondContact O-N 3.04Å; P333-Y335 VanDerWaalsContact O-N 3.07Å
336G97.4Very high97.2Very high33 Ų3360.7 Ų60.734%0.3432%0.319SS..  trans117.4178.7-173.900000113N334N334-G336 PolarHBondContact O-N 3.21Å; N334-G336 PolarHBondContact OD1-N 2.97Å
337K97.8Very high97.1Very high175 Ų17567.6 Ų67.676%0.76135%0.345SS*.  trans-107.5132.9-180-68.9-179.1179.6177.50110.1H245H245-K337 PolarHBondContact CE1-O 2.67Å
338P97.9Very high97Very high33 Ų3367.1 Ų67.121%0.21434%0.337CS..  trans-68.7153.8-177.424.6-32.5000112.5L244 V296 I342 L343L244-P338 HydrophobicContact CD2-CB 3.83Å; L244-P338 HydrophobicContact CD2-CG 4.28Å; V296-P338 HydrophobicContact CG1-CB 4.13Å; P338-I342 HydrophobicContact CB-CB 4.2Å; P338-I342 HydrophobicContact CB-CG2 4.3Å; P338-L343 HydrophobicContact CB-CD2 4.46Å; P338-L343 HydrophobicContact CB-CG 4.31Å; P338-L343 HydrophobicContact CG-CD1 4.23Å; P338-L343 HydrophobicContact CG-CD2 3.49Å; P338-L343 VanDerWaalsContact CG-CD2 3.49Å; P338-L343 HydrophobicContact CG-CG 3.68Å
339D97.8Very high96.8Very high51 Ų5167.5 Ų67.527%0.27334%0.339SS..  trans-61.2146.7165.8-64.8-18.2000110.5L244 H245 K341 I342 L343L244-D339 PolarHBondContact O-N 3.41Å; H245-D339 WeakPolarHBondContact CA-OD2 3.45Å; H245-D339 IonicContact CE1-OD1 2.69Å; H245-D339 IonicContact CG-OD1 2.88Å; H245-D339 IonicContact ND1-OD1 3.72Å; H245-D339 PolarHBondContact ND1-OD1 3.35Å; H245-D339 IonicContact ND1-OD2 3.58Å; D339-K341 PolarHBondContact O-N 3.45Å; D339-K341 VanDerWaalsContact O-N 3.13Å; D339-I342 HydrophobicContact CB-CG1 4.29Å; D339-I342 WeakPolarHBondContact O-CB 3.48Å; D339-I342 PolarHBondContact O-N 2.92Å; D339-L343 PolarHBondContact O-N 2.96Å
340P96.9Very high96.6Very high108 Ų10867.7 Ų67.770%0.70134%0.34SS*.Hα-helixtrans-54.2-37.3-176-29.135.6000114.5I342 L343 E344P340-I342 PolarHBondContact O-N 3.48Å; P340-L343 WeakPolarHBondContact O-CB 3.49Å; P340-L343 PolarHBondContact O-N 2.9Å; P340-E344 PolarHBondContact O-N 3.04Å
341K95.1Very high96.4Very high113 Ų11374.2 Ų74.249%0.49136%0.364SS..Hα-helixtrans-62.8-32178.4-168.369.7-169.9168.40112.5D339 E344 N345D339-K341 PolarHBondContact O-N 3.45Å; D339-K341 VanDerWaalsContact O-N 3.13Å; K341-E344 WeakPolarHBondContact CD-OE2 3.28Å; K341-E344 WeakPolarHBondContact CE-OE2 3.37Å; K341-E344 IonicContact NZ-OE1 3.67Å; K341-E344 IonicContact NZ-OE2 2.75Å; K341-E344 PolarHBondContact NZ-OE2 2.98Å; K341-E344 WeakPolarHBondContact O-CB 3.49Å; K341-E344 PolarHBondContact O-N 2.65Å; K341-N345 PolarHBondContact O-N 3.29Å
342I97.7Very high96.2Very high7 Ų773.1 Ų73.14%0.03637%0.368CS..Hα-helixtrans-74.9-33.1179.3-55.6-53.3000111.6V243 P246 V294 V296 P338 D339 P340 E344 N345 T346V243-I342 WeakPolarHBondContact O-CG2 3.31Å; P246-I342 HydrophobicContact CG-CD1 3.42Å; P246-I342 VanDerWaalsContact CG-CD1 3.42Å; P246-I342 HydrophobicContact CG-CG1 4.02Å; V294-I342 HydrophobicContact CB-CD1 4.22Å; V294-I342 HydrophobicContact CG1-CD1 4.1Å; V296-I342 HydrophobicContact CG1-CG2 3.71Å; P338-I342 HydrophobicContact CB-CB 4.2Å; P338-I342 HydrophobicContact CB-CG2 4.3Å; D339-I342 HydrophobicContact CB-CG1 4.29Å; D339-I342 WeakPolarHBondContact O-CB 3.48Å; D339-I342 PolarHBondContact O-N 2.92Å; P340-I342 PolarHBondContact O-N 3.48Å; I342-E344 VanDerWaalsContact C-N 3.3Å; I342-N345 PolarHBondContact O-N 3.37Å; I342-T346 VanDerWaalsContact O-CB 3.3Å; I342-T346 WeakPolarHBondContact O-CB 3.47Å; I342-T346 PolarHBondContact O-N 2.89Å; I342-T346 PolarHBondContact O-OG1 3.36Å
343L96.4Very high95.9Very high72 Ų7275 Ų7538%0.37737%0.373SS..Hα-helixtrans-62.4-41170.2-69.3171.7000111P338 D339 P340 T346 R347P338-L343 HydrophobicContact CB-CD2 4.46Å; P338-L343 HydrophobicContact CB-CG 4.31Å; P338-L343 HydrophobicContact CG-CD1 4.23Å; P338-L343 HydrophobicContact CG-CD2 3.49Å; P338-L343 VanDerWaalsContact CG-CD2 3.49Å; P338-L343 HydrophobicContact CG-CG 3.68Å; D339-L343 PolarHBondContact O-N 2.96Å; P340-L343 WeakPolarHBondContact O-CB 3.49Å; P340-L343 PolarHBondContact O-N 2.9Å; L343-T346 PolarHBondContact O-N 2.99Å; L343-R347 WeakPolarHBondContact O-CG 3.48Å; L343-R347 PolarHBondContact O-N 3.24Å
344E95.9Very high95.7Very high82 Ų8276.3 Ų76.338%0.38338%0.377SS..Hα-helixtrans-61.7-51.9174.1-171.1-171.8177.800111.8P340 K341 I342 T346 R347 R348P340-E344 PolarHBondContact O-N 3.04Å; K341-E344 WeakPolarHBondContact CD-OE2 3.28Å; K341-E344 WeakPolarHBondContact CE-OE2 3.37Å; K341-E344 IonicContact NZ-OE1 3.67Å; K341-E344 IonicContact NZ-OE2 2.75Å; K341-E344 PolarHBondContact NZ-OE2 2.98Å; K341-E344 WeakPolarHBondContact O-CB 3.49Å; K341-E344 PolarHBondContact O-N 2.65Å; I342-E344 VanDerWaalsContact C-N 3.3Å; E344-T346 PolarHBondContact O-N 3.27Å; E344-R347 WeakPolarHBondContact O-CB 3.27Å; E344-R347 PolarHBondContact O-N 3.45Å; E344-R348 WeakPolarHBondContact O-CG 3.38Å; E344-R348 PolarHBondContact O-N 3.43Å
345N96.6Very high95.1Very high12 Ų1276.6 Ų76.66%0.06437%0.374CS..Hα-helixtrans-54.7-42175.7-72.4-4.7000111.8P293 V294 K341 I342 R347 R348 V349P293-N345 HydrophobicContact CB-CB 4.16Å; P293-N345 HydrophobicContact CG-CB 4.04Å; V294-N345 WeakPolarHBondContact O-CB 3.43Å; V294-N345 PolarHBondContact O-ND2 3.16Å; K341-N345 PolarHBondContact O-N 3.29Å; I342-N345 PolarHBondContact O-N 3.37Å; N345-R347 PolarHBondContact O-N 2.87Å; N345-R348 PolarHBondContact O-N 2.91Å; N345-V349 WeakPolarHBondContact O-CG2 3.41Å; N345-V349 PolarHBondContact O-N 3.24Å
346T96.8Very high94.5Very high11 Ų1178.5 Ų78.57%0.06738%0.384CS..Hα-helixtrans-64-40.1178.3-56.60000111.8N295 V296 A297 I342 L343 E344 V349 Y350N295-T346 WeakPolarHBondContact CB-OG1 3.41Å; V296-T346 HydrophobicContact CG2-CG2 4.16Å; V296-T346 WeakPolarHBondContact CG2-OG1 3.44Å; V296-T346 PolarHBondContact N-OG1 3.41Å; V296-T346 VanDerWaalsContact N-OG1 3.11Å; A297-T346 HydrophobicContact CB-CG2 4.46Å; I342-T346 VanDerWaalsContact O-CB 3.3Å; I342-T346 WeakPolarHBondContact O-CB 3.47Å; I342-T346 PolarHBondContact O-N 2.89Å; I342-T346 PolarHBondContact O-OG1 3.36Å; L343-T346 PolarHBondContact O-N 2.99Å; E344-T346 PolarHBondContact O-N 3.27Å; T346-V349 PolarHBondContact O-N 3.35Å; T346-Y350 HydrophobicContact CG2-CD2 3.96Å; T346-Y350 HydrophobicContact CG2-CE2 3.49Å; T346-Y350 VanDerWaalsContact CG2-CE2 3.49Å; T346-Y350 WeakPolarHBondContact O-CD2 3.38Å; T346-Y350 PolarHBondContact O-N 3.42Å
347R96.9Very high93.8Very high155 Ų15578.9 Ų78.959%0.58538%0.381SS*.Hα-helixtrans-63.4-44.1174.1-69.8174.2-165.5134.10.2111.8L343 E344 N345 V349 Y350 K351L343-R347 WeakPolarHBondContact O-CG 3.48Å; L343-R347 PolarHBondContact O-N 3.24Å; E344-R347 WeakPolarHBondContact O-CB 3.27Å; E344-R347 PolarHBondContact O-N 3.45Å; N345-R347 PolarHBondContact O-N 2.87Å; R347-V349 VanDerWaalsContact C-N 3.31Å; R347-V349 PolarHBondContact O-N 2.95Å; R347-Y350 PolarHBondContact O-N 2.99Å; R347-Y350 VanDerWaalsContact O-N 3.14Å; R347-K351 WeakPolarHBondContact O-CG 3.22Å; R347-K351 PolarHBondContact O-N 3.45Å
348R95.8Very high93.2Very high70 Ų7076.5 Ų76.526%0.26438%0.376SS..Hα-helixtrans-60.1-40.8176.8-67.217661.4-156.73111.9E344 N345 K351 G352 E353 F354E344-R348 WeakPolarHBondContact O-CG 3.38Å; E344-R348 PolarHBondContact O-N 3.43Å; N345-R348 PolarHBondContact O-N 2.91Å; R348-K351 PolarHBondContact O-N 3.3Å; R348-G352 PolarHBondContact O-N 3.41Å; R348-E353 VanDerWaalsContact CB-OE2 3.27Å; R348-E353 WeakPolarHBondContact CB-OE2 3.36Å; R348-E353 WeakPolarHBondContact CG-OE2 3.3Å; R348-E353 IonicContact CZ-OE2 3.32Å; R348-E353 IonicContact NE-OE2 3.69Å; R348-E353 PolarHBondContact NE-OE2 2.92Å; R348-E353 IonicContact NH2-OE2 2.89Å; R348-E353 PolarHBondContact O-N 3.49Å; R348-F354 HydrophobicContact CB-CE2 3.76Å; R348-F354 HydrophobicContact CB-CZ 4.38Å; R348-F354 VanDerWaalsContact NH2-CZ 3.35Å
349V94.7Very high92.6Very high21 Ų2180.8 Ų80.813%0.12739%0.392CS..Hα-helixtrans-61.5-43.5173.1168.10000111.9K292 P293 N295 N345 T346 R347 K351 G352 F354K292-V349 HydrophobicContact CB-CG2 3.96Å; K292-V349 HydrophobicContact CD-CG1 3.95Å; K292-V349 HydrophobicContact CD-CG2 4.38Å; K292-V349 HydrophobicContact CG-CG2 4.34Å; P293-V349 HydrophobicContact CG-CG2 4.1Å; N295-V349 HydrophobicContact CB-CG2 4.29Å; N345-V349 WeakPolarHBondContact O-CG2 3.41Å; N345-V349 PolarHBondContact O-N 3.24Å; T346-V349 PolarHBondContact O-N 3.35Å; R347-V349 VanDerWaalsContact C-N 3.31Å; R347-V349 PolarHBondContact O-N 2.95Å; V349-K351 VanDerWaalsContact C-N 3.31Å; V349-K351 PolarHBondContact O-N 2.91Å; V349-G352 PolarHBondContact O-N 3Å; V349-G352 VanDerWaalsContact O-N 3.13Å; V349-F354 HydrophobicContact CG2-CD2 3.88Å; V349-F354 HydrophobicContact CG2-CE2 3.99Å
350Y94.2Very high92Very high158 Ų15878.7 Ų78.762%0.6238%0.381SS*.Hα-helixtrans-68.1-28.8176.9-72.8-49.4000113.6A297 T346 R347 G352A297-Y350 HydrophobicContact CB-CE1 4.26Å; A297-Y350 WeakPolarHBondContact CB-OH 3.47Å; T346-Y350 HydrophobicContact CG2-CD2 3.96Å; T346-Y350 HydrophobicContact CG2-CE2 3.49Å; T346-Y350 VanDerWaalsContact CG2-CE2 3.49Å; T346-Y350 WeakPolarHBondContact O-CD2 3.38Å; T346-Y350 PolarHBondContact O-N 3.42Å; R347-Y350 PolarHBondContact O-N 2.99Å; R347-Y350 VanDerWaalsContact O-N 3.14Å; Y350-G352 PolarHBondContact O-N 2.97Å
351K94.6Very high91.3Very high160 Ų16078.1 Ų78.170%0.69637%0.367SS*.THydrogen-bonded Turntrans-71.4-8.1171.9-72.6177.4175.8-173.70113.8R347 R348 V349 E353R347-K351 WeakPolarHBondContact O-CG 3.22Å; R347-K351 PolarHBondContact O-N 3.45Å; R348-K351 PolarHBondContact O-N 3.3Å; V349-K351 VanDerWaalsContact C-N 3.31Å; V349-K351 PolarHBondContact O-N 2.91Å; K351-E353 HydrophobicContact CB-CG 4.05Å; K351-E353 VanDerWaalsContact CD-OE1 3.28Å; K351-E353 WeakPolarHBondContact CD-OE1 3.47Å
352G91Very high90.1Very high43 Ų4380.1 Ų80.144%0.44338%0.378SS..THydrogen-bonded Turntrans75.722-179.700000114R348 V349 Y350 F354R348-G352 PolarHBondContact O-N 3.41Å; V349-G352 PolarHBondContact O-N 3Å; V349-G352 VanDerWaalsContact O-N 3.13Å; Y350-G352 PolarHBondContact O-N 2.97Å; G352-F354 PolarHBondContact O-N 2.94Å; G352-F354 VanDerWaalsContact O-N 3.13Å
353E92.2Very high88.3Confident93 Ų9387.4 Ų87.444%0.43541%0.41SS..  trans-66-12.5-177.9-68.6175.6-153.600113.9R348 K351R348-E353 VanDerWaalsContact CB-OE2 3.27Å; R348-E353 WeakPolarHBondContact CB-OE2 3.36Å; R348-E353 WeakPolarHBondContact CG-OE2 3.3Å; R348-E353 IonicContact CZ-OE2 3.32Å; R348-E353 IonicContact NE-OE2 3.69Å; R348-E353 PolarHBondContact NE-OE2 2.92Å; R348-E353 IonicContact NH2-OE2 2.89Å; R348-E353 PolarHBondContact O-N 3.49Å; K351-E353 HydrophobicContact CB-CG 4.05Å; K351-E353 VanDerWaalsContact CD-OE1 3.28Å; K351-E353 WeakPolarHBondContact CD-OE1 3.47Å
354F90.1Very high86.1Confident40 Ų4087.8 Ų87.818%0.17542%0.416CS..  trans-118.1113-177.3-55.9-84000110.3E269 K292 P293 R348 V349 G352E269-F354 HydrophobicContact CG-CE1 4.31Å; K292-F354 HydrophobicContact CG-CB 4.04Å; P293-F354 HydrophobicContact CB-CZ 4.49Å; P293-F354 VanDerWaalsContact CD-CE1 3.45Å; P293-F354 VanDerWaalsContact CD-CE2 3.42Å; P293-F354 HydrophobicContact CG-CD2 4.33Å; P293-F354 HydrophobicContact CG-CE1 4.03Å; P293-F354 HydrophobicContact CG-CE2 3.56Å; P293-F354 HydrophobicContact CG-CZ 3.38Å; R348-F354 HydrophobicContact CB-CE2 3.76Å; R348-F354 HydrophobicContact CB-CZ 4.38Å; R348-F354 VanDerWaalsContact NH2-CZ 3.35Å; V349-F354 HydrophobicContact CG2-CD2 3.88Å; V349-F354 HydrophobicContact CG2-CE2 3.99Å; G352-F354 PolarHBondContact O-N 2.94Å; G352-F354 VanDerWaalsContact O-N 3.13Å
355Q84.5Confident84Confident154 Ų15492.7 Ų92.772%0.7244%0.44SS*.  trans-108.9155.1175.2-60.7-168.64.100110.6P357Q355-P357 WeakPolarHBondContact O-CD 3.31Å
356L84.3Confident81.8Confident57 Ų5798 Ų9830%0.29847%0.473SS..  trans-59.2126.8171.5-103.295.8000109.2D288 I291 L360 K361D288-L356 HydrophobicContact CB-CD1 3.89Å; I291-L356 HydrophobicContact CD1-CB 4.24Å; I291-L356 HydrophobicContact CD1-CD1 3.69Å; I291-L356 HydrophobicContact CD1-CG 3.79Å; L356-L360 HydrophobicContact CD2-CB 3.84Å; L356-L360 WeakPolarHBondContact CD2-O 3.48Å; L356-K361 HydrophobicContact CB-CG 4.27Å; L356-K361 VanDerWaalsContact O-CE 3.22Å; L356-K361 WeakPolarHBondContact O-CE 3.41Å
357P82.6Confident79.5Confident42 Ų42103.9 Ų103.927%0.27350%0.499SS..  trans-54.3146.7166.8-24.433000111.5Q355 F359 L360 K361Q355-P357 WeakPolarHBondContact O-CD 3.31Å; P357-F359 VanDerWaalsContact C-N 3.26Å; P357-F359 HydrophobicContact CB-CD1 3.61Å; P357-F359 HydrophobicContact CB-CE1 3.3Å; P357-F359 HydrophobicContact CB-CZ 3.99Å; P357-F359 HydrophobicContact CG-CE1 4.03Å; P357-F359 HydrophobicContact CG-CZ 4.35Å; P357-F359 PolarHBondContact O-N 3.23Å; P357-L360 HydrophobicContact CG-CD1 4.24Å; P357-L360 PolarHBondContact O-N 3.38Å; P357-K361 PolarHBondContact O-N 3.37Å
358D84.7Confident76.9Confident124 Ų124104.5 Ų104.566%0.66351%0.509SS*.G310 helixtrans-58.4-36.6-174-67.3-35.1000113.3L360 K361D358-L360 PolarHBondContact O-N 3.43Å; D358-L360 VanDerWaalsContact O-N 3.16Å; D358-K361 WeakPolarHBondContact O-CB 3.31Å; D358-K361 PolarHBondContact O-N 3.1Å; D358-K361 WeakPolarHBondContact OD1-CE 3.42Å; D358-K361 IonicContact OD1-NZ 3.83Å; D358-K361 PolarHBondContact OD1-NZ 3.48Å
359F85Confident74.5Confident124 Ų124107.8 Ų107.854%0.54454%0.536SS..G310 helixtrans-67.5-14.1177.870.8-92.4000114I272 P357I272-F359 HydrophobicContact CG2-CZ 4.04Å; P357-F359 VanDerWaalsContact C-N 3.26Å; P357-F359 HydrophobicContact CB-CD1 3.61Å; P357-F359 HydrophobicContact CB-CE1 3.3Å; P357-F359 HydrophobicContact CB-CZ 3.99Å; P357-F359 HydrophobicContact CG-CE1 4.03Å; P357-F359 HydrophobicContact CG-CZ 4.35Å; P357-F359 PolarHBondContact O-N 3.23Å
360L85.8Confident71.7Confident6 Ų6119.6 Ų119.63%0.03159%0.59CS.*G310 helixtrans-100.2-6.5174.6-64.1178.2000113I272 L280 K282 T287 I291 L356 P357 D358I272-L360 HydrophobicContact CG2-CD1 4.34Å; L280-L360 HydrophobicContact CB-CD1 4.17Å; L280-L360 HydrophobicContact CB-CD2 4.1Å; L280-L360 HydrophobicContact CD1-CD1 3.92Å; L280-L360 WeakPolarHBondContact O-CD2 3.42Å; K282-L360 HydrophobicContact CB-CD2 4.4Å; T287-L360 HydrophobicContact CG2-CD1 3.97Å; T287-L360 HydrophobicContact CG2-CD2 4.37Å; I291-L360 HydrophobicContact CG2-CD1 4.02Å; L356-L360 HydrophobicContact CD2-CB 3.84Å; L356-L360 WeakPolarHBondContact CD2-O 3.48Å; P357-L360 HydrophobicContact CG-CD1 4.24Å; P357-L360 PolarHBondContact O-N 3.38Å; D358-L360 PolarHBondContact O-N 3.43Å; D358-L360 VanDerWaalsContact O-N 3.16Å
361K83.6Confident70.6Confident97 Ų97117.7 Ų117.742%0.42259%0.589SS.*SBendtrans-73.7142173.1-64.3177.7-176.1164.90109.4L356 P357 D358 K363L356-K361 HydrophobicContact CB-CG 4.27Å; L356-K361 VanDerWaalsContact O-CE 3.22Å; L356-K361 WeakPolarHBondContact O-CE 3.41Å; P357-K361 PolarHBondContact O-N 3.37Å; D358-K361 WeakPolarHBondContact O-CB 3.31Å; D358-K361 PolarHBondContact O-N 3.1Å; D358-K361 WeakPolarHBondContact OD1-CE 3.42Å; D358-K361 IonicContact OD1-NZ 3.83Å; D358-K361 PolarHBondContact OD1-NZ 3.48Å; K361-K363 PolarHBondContact O-N 3.48Å
362E70Confident69.3Low155 Ų155115.5 Ų115.572%0.72458%0.583SS**PPolyproline II helixtrans-67.3124.9169-70.4-176.5168.700108.4
363K58.4Low68.1Low159 Ų159119.5 Ų119.569%0.69159%0.591SS**PPolyproline II helixtrans-68.2136.8169.8-74-165.5174.6-162.90108.5K361 Q365K361-K363 PolarHBondContact O-N 3.48Å; K363-Q365 PolarHBondContact O-N 3.44Å
364P51.4Low66.7Low80 Ų80121.1 Ų121.152%0.51960%0.6SS.*PPolyproline II helixtrans-53.2137.6171-21.331.2000110.1T366 E367P364-T366 PolarHBondContact O-N 3Å; P364-E367 PolarHBondContact O-N 3.5Å
365Q51.9Low65.2Low186 Ų186126.1 Ų126.187%0.86963%0.627SS**G310 helixtrans-59.7-5.6179.7-79.4179.4-19.900114.3K363K363-Q365 PolarHBondContact O-N 3.44Å
366T48.9Very low63.9Low124 Ų124124.3 Ų124.376%0.76162%0.62SS**G310 helixtrans-82.5-7.8-179.841.10000115.3P364P364-T366 PolarHBondContact O-N 3Å
367E49.6Very low62.5Low134 Ų134129.1 Ų129.163%0.62664%0.643SS**G310 helixtrans-107.415.1-178.2-70.1-177.6176.900114.3P364P364-E367 PolarHBondContact O-N 3.5Å
368Q41.9Very low61Low167 Ų167135.8 Ų135.878%0.7867%0.672SS**SBendtrans-106.115.3178.8-73.4-167.2-23.100114.3
369V44.4Very low59Low139 Ų139136.8 Ų136.884%0.84267%0.673SS**  trans-124.381.1170.8-170.90000108
370E36.8Very low56.6Low270 Ų270137.9 Ų137.9100%1.26268%0.684SS**  trans-153.90153.7-111.4176.5-163.600109.8

Retrieved 370 of 370 residues in 1771.8 ms (Link to these results)

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