G4LUI0_SCHMA Loading...

Glycosyltransferase 14 family member, putative AlphaSync

AlphaFold DB , UniProt , Accession G4LUI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 431 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low69.4Low239 Ų239135.3 Ų135.3100%1.17766%0.664SS**  0115.60-106.5163.976.100108.5
2N60.4Low70.3Confident124 Ų124135.8 Ų135.866%0.66366%0.661SS**  trans-70.2135.7-162.1-92-26.4000114.3M4 T5N2-M4 PolarHBondContact O-N 3.33Å; N2-T5 WeakPolarHBondContact CB-OG1 3.49Å; N2-T5 PolarHBondContact O-N 3.08Å; N2-T5 VanDerWaalsContact O-N 3.12Å; N2-T5 PolarHBondContact O-OG1 3.41Å
3I70.9Confident71.1Confident131 Ų131133.8 Ų133.867%0.67265%0.653SS**Hα-helixtrans-58.5-34.3173.6-68.8169.9000111.3T5 I6 I7I3-T5 VanDerWaalsContact C-N 3.3Å; I3-T5 PolarHBondContact O-N 3.29Å; I3-I6 PolarHBondContact O-N 3.21Å; I3-I6 VanDerWaalsContact O-N 3.12Å; I3-I7 HydrophobicContact CG2-CD1 3.99Å; I3-I7 PolarHBondContact O-N 3.12Å
4M67.7Low71.9Confident160 Ų160134.1 Ų134.179%0.78865%0.65SS**Hα-helixtrans-59.6-36.8176-70.7-164.396.200113.2N2 I6 I7 S8N2-M4 PolarHBondContact O-N 3.33Å; M4-I6 VanDerWaalsContact C-N 3.3Å; M4-I6 PolarHBondContact O-N 3.15Å; M4-I7 PolarHBondContact O-N 3.12Å; M4-S8 WeakPolarHBondContact O-CB 3.49Å; M4-S8 PolarHBondContact O-N 2.97Å; M4-S8 VanDerWaalsContact O-N 3.08Å
5T71.7Confident72.7Confident85 Ų85134.9 Ų134.952%0.52165%0.649SS.*Hα-helixtrans-66.1-31.9177.111.50000112.7N2 I3 R9N2-T5 WeakPolarHBondContact CB-OG1 3.49Å; N2-T5 PolarHBondContact O-N 3.08Å; N2-T5 VanDerWaalsContact O-N 3.12Å; N2-T5 PolarHBondContact O-OG1 3.41Å; I3-T5 VanDerWaalsContact C-N 3.3Å; I3-T5 PolarHBondContact O-N 3.29Å; T5-R9 WeakPolarHBondContact O-CB 3.43Å; T5-R9 PolarHBondContact O-N 3.49Å; T5-R9 VanDerWaalsContact O-N 3.15Å
6I71.8Confident73.6Confident94 Ų94132.1 Ų132.148%0.48264%0.637SS.*Hα-helixtrans-74-43.9179.2-61.4173.8000110.7I3 M4 R9 R10I3-I6 PolarHBondContact O-N 3.21Å; I3-I6 VanDerWaalsContact O-N 3.12Å; M4-I6 VanDerWaalsContact C-N 3.3Å; M4-I6 PolarHBondContact O-N 3.15Å; I6-R9 PolarHBondContact O-N 2.99Å; I6-R10 PolarHBondContact O-N 3.49Å
7I72.2Confident74.4Confident96 Ų96131.1 Ų131.149%0.49263%0.631SS.*Hα-helixtrans-64.5-44.3179.2-63.9171.6000110.4I3 M4 R9 R10 L11I3-I7 HydrophobicContact CG2-CD1 3.99Å; I3-I7 PolarHBondContact O-N 3.12Å; M4-I7 PolarHBondContact O-N 3.12Å; I7-R9 PolarHBondContact O-N 2.61Å; I7-R10 PolarHBondContact O-N 3.44Å; I7-L11 HydrophobicContact CG2-CD1 3.97Å; I7-L11 PolarHBondContact O-N 2.94Å
8S74.3Confident75.3Confident78 Ų78132.8 Ų132.855%0.54563%0.632SS.*Hα-helixtrans-59.9-45.3176-178.10000112M4 R10 L11 F12M4-S8 WeakPolarHBondContact O-CB 3.49Å; M4-S8 PolarHBondContact O-N 2.97Å; M4-S8 VanDerWaalsContact O-N 3.08Å; S8-R10 PolarHBondContact O-N 3Å; S8-L11 PolarHBondContact O-N 3.33Å; S8-F12 WeakPolarHBondContact O-CB 3.43Å; S8-F12 PolarHBondContact O-N 3.03Å
9R74.2Confident76.1Confident195 Ų195130.7 Ų130.774%0.73662%0.623SS**Hα-helixtrans-59.7-43.8174.1-89.3-175.6169-176.2-2.7112.8T5 I6 I7 F12 I13T5-R9 WeakPolarHBondContact O-CB 3.43Å; T5-R9 PolarHBondContact O-N 3.49Å; T5-R9 VanDerWaalsContact O-N 3.15Å; I6-R9 PolarHBondContact O-N 2.99Å; I7-R9 PolarHBondContact O-N 2.61Å; R9-F12 PolarHBondContact O-N 3.35Å; R9-I13 WeakPolarHBondContact O-CD1 3.26Å; R9-I13 VanDerWaalsContact O-CG1 3.26Å; R9-I13 WeakPolarHBondContact O-CG1 3.49Å; R9-I13 PolarHBondContact O-N 3.25Å
10R75.1Confident76.9Confident182 Ų182127.7 Ų127.769%0.68762%0.616SS**Hα-helixtrans-64.3-41.6178.6-77.8-175.2175.5-174.5-0.3112.4I6 I7 S8 I13 K14I6-R10 PolarHBondContact O-N 3.49Å; I7-R10 PolarHBondContact O-N 3.44Å; S8-R10 PolarHBondContact O-N 3Å; R10-I13 PolarHBondContact O-N 3.45Å; R10-K14 PolarHBondContact O-N 3.49Å
11L76Confident77.7Confident104 Ų104125.7 Ų125.755%0.54561%0.608SS.*Hα-helixtrans-64-40.9175.2-79.4161.4000111.6I7 S8 K14 K15I7-L11 HydrophobicContact CG2-CD1 3.97Å; I7-L11 PolarHBondContact O-N 2.94Å; S8-L11 PolarHBondContact O-N 3.33Å; L11-K14 PolarHBondContact O-N 3.38Å; L11-K15 PolarHBondContact O-N 2.95Å
12F80.6Confident79.7Confident141 Ų141120.9 Ų120.962%0.61858%0.581SS**Hα-helixtrans-63.6-45.8176.5-171-96000112S8 R9 K14 K15 L16S8-F12 WeakPolarHBondContact O-CB 3.43Å; S8-F12 PolarHBondContact O-N 3.03Å; R9-F12 PolarHBondContact O-N 3.35Å; F12-K14 PolarHBondContact O-N 3Å; F12-K15 PolarHBondContact O-N 3.45Å; F12-L16 WeakPolarHBondContact O-CB 3.47Å; F12-L16 PolarHBondContact O-N 3.24Å
13I80.6Confident81.3Confident110 Ų110119.1 Ų119.156%0.56457%0.57SS**Hα-helixtrans-61.7-43.6176.9-67.8163000111.1R9 R10 L16 H17R9-I13 WeakPolarHBondContact O-CD1 3.26Å; R9-I13 VanDerWaalsContact O-CG1 3.26Å; R9-I13 WeakPolarHBondContact O-CG1 3.49Å; R9-I13 PolarHBondContact O-N 3.25Å; R10-I13 PolarHBondContact O-N 3.45Å; I13-L16 PolarHBondContact O-N 3.04Å; I13-H17 WeakPolarHBondContact O-CB 3.27Å; I13-H17 PolarHBondContact O-N 3.47Å
14K81.5Confident82.4Confident139 Ų139117.5 Ų117.560%0.60456%0.563SS**Hα-helixtrans-61.5-47176-78-171.4177.2-1720111.6R10 L11 F12 L16 H17 Y18R10-K14 PolarHBondContact O-N 3.49Å; L11-K14 PolarHBondContact O-N 3.38Å; F12-K14 PolarHBondContact O-N 3Å; K14-L16 VanDerWaalsContact C-N 3.33Å; K14-L16 PolarHBondContact O-N 2.92Å; K14-H17 PolarHBondContact O-N 3.33Å; K14-Y18 WeakPolarHBondContact O-CD2 3.47Å; K14-Y18 PolarHBondContact O-N 3.44Å
15K83.9Confident83.6Confident146 Ų146115.7 Ų115.764%0.63555%0.55SS**Hα-helixtrans-58.6-44.9175.8-79.3-173.4177.4-174.70111.6L11 F12 H17 Y18 I19L11-K15 PolarHBondContact O-N 2.95Å; F12-K15 PolarHBondContact O-N 3.45Å; K15-H17 VanDerWaalsContact C-N 3.33Å; K15-H17 PolarHBondContact O-N 3.34Å; K15-Y18 PolarHBondContact O-N 2.88Å; K15-I19 VanDerWaalsContact O-CG1 3.27Å; K15-I19 WeakPolarHBondContact O-CG1 3.41Å; K15-I19 PolarHBondContact O-N 3.31Å
16L87.4Confident84.6Confident89 Ų89114.9 Ų114.947%0.46655%0.545SS..Hα-helixtrans-61.5-41.4177.7-169.964.5000111.7F12 I13 K14 I19 C20F12-L16 WeakPolarHBondContact O-CB 3.47Å; F12-L16 PolarHBondContact O-N 3.24Å; I13-L16 PolarHBondContact O-N 3.04Å; K14-L16 VanDerWaalsContact C-N 3.33Å; K14-L16 PolarHBondContact O-N 2.92Å; L16-I19 PolarHBondContact O-N 3.3Å; L16-C20 PolarHBondContact O-N 3.47Å; L16-C20 PolarHBondContact O-SG 3.31Å
17H87.8Confident85.5Confident116 Ų116114.3 Ų114.354%0.53754%0.542SS..Hα-helixtrans-62.5-45.1176.5-171.571000112.7I13 K14 K15 I19 C20 L21I13-H17 WeakPolarHBondContact O-CB 3.27Å; I13-H17 PolarHBondContact O-N 3.47Å; K14-H17 PolarHBondContact O-N 3.33Å; K15-H17 VanDerWaalsContact C-N 3.33Å; K15-H17 PolarHBondContact O-N 3.34Å; H17-I19 VanDerWaalsContact C-N 3.34Å; H17-I19 PolarHBondContact O-N 2.91Å; H17-C20 PolarHBondContact O-N 2.94Å; H17-L21 WeakPolarHBondContact O-CG 3.07Å; H17-L21 PolarHBondContact O-N 3.42Å
18Y90Very high86.5Confident162 Ų162114.3 Ų114.364%0.63554%0.542SS*.Hα-helixtrans-63.8-38.3175.6-73.9-66.5000112.5K14 K15 L21 F22K14-Y18 WeakPolarHBondContact O-CD2 3.47Å; K14-Y18 PolarHBondContact O-N 3.44Å; K15-Y18 PolarHBondContact O-N 2.88Å; Y18-L21 PolarHBondContact O-N 2.94Å; Y18-F22 WeakPolarHBondContact O-CB 3.39Å; Y18-F22 PolarHBondContact O-N 3.28Å
19I90.8Very high87.2Confident93 Ų93114.4 Ų114.448%0.47754%0.536SS..Hα-helixtrans-63.1-45.3174.5-68.6164.7000110.4K15 L16 H17 L21 F22 I23K15-I19 VanDerWaalsContact O-CG1 3.27Å; K15-I19 WeakPolarHBondContact O-CG1 3.41Å; K15-I19 PolarHBondContact O-N 3.31Å; L16-I19 PolarHBondContact O-N 3.3Å; H17-I19 VanDerWaalsContact C-N 3.34Å; H17-I19 PolarHBondContact O-N 2.91Å; I19-L21 PolarHBondContact O-N 3.3Å; I19-F22 PolarHBondContact O-N 3.49Å; I19-I23 HydrophobicContact CG2-CD1 3.72Å; I19-I23 HydrophobicContact CG2-CG1 4.39Å; I19-I23 VanDerWaalsContact O-CG1 3.27Å; I19-I23 WeakPolarHBondContact O-CG1 3.27Å; I19-I23 PolarHBondContact O-N 2.9Å
20C92Very high88Confident70 Ų70111.2 Ų111.247%0.47353%0.528SS..Hα-helixtrans-61.4-43.3176.4-70.60000112.5L16 H17 I23 L24L16-C20 PolarHBondContact O-N 3.47Å; L16-C20 PolarHBondContact O-SG 3.31Å; H17-C20 PolarHBondContact O-N 2.94Å; C20-I23 PolarHBondContact O-N 2.91Å; C20-L24 WeakPolarHBondContact O-CB 3.37Å; C20-L24 PolarHBondContact O-N 3.42Å
21L92.7Very high88.6Confident85 Ų85106.4 Ų106.445%0.44552%0.516SS..Hα-helixtrans-63.2-41.4176.1-75.9172.4000112H17 Y18 I19 L24 F25H17-L21 WeakPolarHBondContact O-CG 3.07Å; H17-L21 PolarHBondContact O-N 3.42Å; Y18-L21 PolarHBondContact O-N 2.94Å; I19-L21 PolarHBondContact O-N 3.3Å; L21-L24 PolarHBondContact O-N 3.42Å; L21-F25 WeakPolarHBondContact O-CB 3.34Å; L21-F25 PolarHBondContact O-N 2.92Å
22F92.9Very high89.1Confident138 Ų138108.1 Ų108.161%0.60552%0.519SS*.Hα-helixtrans-64.7-45.1176.3-177.5-99.8000111.8Y18 I19 L24 F25 V26Y18-F22 WeakPolarHBondContact O-CB 3.39Å; Y18-F22 PolarHBondContact O-N 3.28Å; I19-F22 PolarHBondContact O-N 3.49Å; F22-L24 VanDerWaalsContact C-N 3.35Å; F22-L24 PolarHBondContact O-N 2.91Å; F22-F25 WeakPolarHBondContact O-CB 3.5Å; F22-F25 PolarHBondContact O-N 3.25Å; F22-V26 HydrophobicContact CD1-CG2 4.21Å; F22-V26 HydrophobicContact CE1-CG2 3.83Å; F22-V26 HydrophobicContact CE2-CG2 4.4Å; F22-V26 HydrophobicContact CZ-CG2 3.94Å; F22-V26 WeakPolarHBondContact O-CG2 3.46Å; F22-V26 PolarHBondContact O-N 3.47Å
23I93.1Very high89.2Confident87 Ų87105.3 Ų105.345%0.44651%0.513SS..Hα-helixtrans-60.1-45.7175.3-69.1167.7000110.5I19 C20 F25 V26 I27I19-I23 HydrophobicContact CG2-CD1 3.72Å; I19-I23 HydrophobicContact CG2-CG1 4.39Å; I19-I23 VanDerWaalsContact O-CG1 3.27Å; I19-I23 WeakPolarHBondContact O-CG1 3.27Å; I19-I23 PolarHBondContact O-N 2.9Å; C20-I23 PolarHBondContact O-N 2.91Å; I23-F25 VanDerWaalsContact C-N 3.32Å; I23-F25 PolarHBondContact O-N 2.89Å; I23-V26 PolarHBondContact O-N 3.27Å; I23-I27 HydrophobicContact CG2-CD1 3.74Å; I23-I27 HydrophobicContact CG2-CG1 4.38Å; I23-I27 VanDerWaalsContact O-CG1 3.27Å; I23-I27 WeakPolarHBondContact O-CG1 3.27Å; I23-I27 PolarHBondContact O-N 3.42Å
24L93.5Very high89.3Confident98 Ų98103.2 Ų103.251%0.51350%0.503SS..Hα-helixtrans-60.3-43.1177.3-169.575.3000111.4C20 L21 F22 I27 I28C20-L24 WeakPolarHBondContact O-CB 3.37Å; C20-L24 PolarHBondContact O-N 3.42Å; L21-L24 PolarHBondContact O-N 3.42Å; F22-L24 VanDerWaalsContact C-N 3.35Å; F22-L24 PolarHBondContact O-N 2.91Å; L24-I27 PolarHBondContact O-N 2.95Å; L24-I28 HydrophobicContact CG-CD1 4.13Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.38Å; L24-I28 PolarHBondContact O-N 3.27Å
25F93.3Very high89.2Confident121 Ų121100.9 Ų100.953%0.53150%0.497SS..Hα-helixtrans-62.4-44176.6-178.8-105.6000112.3L21 F22 I23 I28 I29L21-F25 WeakPolarHBondContact O-CB 3.34Å; L21-F25 PolarHBondContact O-N 2.92Å; F22-F25 WeakPolarHBondContact O-CB 3.5Å; F22-F25 PolarHBondContact O-N 3.25Å; I23-F25 VanDerWaalsContact C-N 3.32Å; I23-F25 PolarHBondContact O-N 2.89Å; F25-I28 PolarHBondContact O-N 3.47Å; F25-I29 HydrophobicContact CD1-CD1 3.8Å; F25-I29 HydrophobicContact CE1-CD1 3.24Å; F25-I29 HydrophobicContact CE1-CG1 4.32Å; F25-I29 HydrophobicContact CE2-CD1 4.12Å; F25-I29 HydrophobicContact CG-CD1 4.45Å; F25-I29 HydrophobicContact CZ-CD1 3.44Å; F25-I29 VanDerWaalsContact CZ-CD1 3.44Å; F25-I29 HydrophobicContact CZ-CG1 4.3Å; F25-I29 WeakPolarHBondContact O-CG1 3.26Å; F25-I29 PolarHBondContact O-N 2.84Å
26V92.1Very high88.8Confident69 Ų6998.4 Ų98.442%0.41849%0.49SS..Hα-helixtrans-62.2-43175172.60000110.9F22 I23 I28 I29 F30F22-V26 HydrophobicContact CD1-CG2 4.21Å; F22-V26 HydrophobicContact CE1-CG2 3.83Å; F22-V26 HydrophobicContact CE2-CG2 4.4Å; F22-V26 HydrophobicContact CZ-CG2 3.94Å; F22-V26 WeakPolarHBondContact O-CG2 3.46Å; F22-V26 PolarHBondContact O-N 3.47Å; I23-V26 PolarHBondContact O-N 3.27Å; V26-I28 PolarHBondContact O-N 2.91Å; V26-I29 PolarHBondContact O-N 3.39Å; V26-F30 VanDerWaalsContact O-CB 3.26Å; V26-F30 WeakPolarHBondContact O-CB 3.49Å; V26-F30 PolarHBondContact O-N 3.41Å
27I92.2Very high88.2Confident81 Ų81101 Ų10142%0.41550%0.498SS..Hα-helixtrans-60.8-43.8175.4-69.5167000110.8I23 L24 F30 N31I23-I27 HydrophobicContact CG2-CD1 3.74Å; I23-I27 HydrophobicContact CG2-CG1 4.38Å; I23-I27 VanDerWaalsContact O-CG1 3.27Å; I23-I27 WeakPolarHBondContact O-CG1 3.27Å; I23-I27 PolarHBondContact O-N 3.42Å; L24-I27 PolarHBondContact O-N 2.95Å; I27-F30 PolarHBondContact O-N 2.86Å; I27-N31 WeakPolarHBondContact CG2-ND2 3.25Å; I27-N31 VanDerWaalsContact O-CB 3.29Å; I27-N31 WeakPolarHBondContact O-CB 3.45Å; I27-N31 VanDerWaalsContact O-CG 3.31Å; I27-N31 PolarHBondContact O-N 2.72Å; I27-N31 PolarHBondContact O-ND2 3.33Å
28I91.9Very high87.5Confident96 Ų96100.1 Ų100.149%0.49250%0.496SS..Hα-helixtrans-62.2-45.9177.8-70.1164.3000110.8L24 F25 V26 K32L24-I28 HydrophobicContact CG-CD1 4.13Å; L24-I28 VanDerWaalsContact O-CG1 3.25Å; L24-I28 WeakPolarHBondContact O-CG1 3.38Å; L24-I28 PolarHBondContact O-N 3.27Å; F25-I28 PolarHBondContact O-N 3.47Å; V26-I28 PolarHBondContact O-N 2.91Å; I28-K32 VanDerWaalsContact O-CB 3.3Å; I28-K32 WeakPolarHBondContact O-CB 3.29Å; I28-K32 PolarHBondContact O-N 3.32Å
29I90.4Very high86.5Confident81 Ų8196.7 Ų96.742%0.41549%0.489SS..Hα-helixtrans-63.6-45.5177.4-70.6177.9000110.8F25 V26 K32 T33F25-I29 HydrophobicContact CD1-CD1 3.8Å; F25-I29 HydrophobicContact CE1-CD1 3.24Å; F25-I29 HydrophobicContact CE1-CG1 4.32Å; F25-I29 HydrophobicContact CE2-CD1 4.12Å; F25-I29 HydrophobicContact CG-CD1 4.45Å; F25-I29 HydrophobicContact CZ-CD1 3.44Å; F25-I29 VanDerWaalsContact CZ-CD1 3.44Å; F25-I29 HydrophobicContact CZ-CG1 4.3Å; F25-I29 WeakPolarHBondContact O-CG1 3.26Å; F25-I29 PolarHBondContact O-N 2.84Å; V26-I29 PolarHBondContact O-N 3.39Å; I29-K32 PolarHBondContact O-N 2.93Å; I29-T33 WeakPolarHBondContact O-CB 3.5Å; I29-T33 PolarHBondContact O-N 3.43Å; I29-T33 PolarHBondContact O-OG1 2.86Å
30F90.1Very high85.3Confident128 Ų12899 Ų9956%0.56149%0.492SS*.Hα-helixtrans-63.4-46.3-178.9-168-105.2000111.2V26 I27 K32 T33 I34V26-F30 VanDerWaalsContact O-CB 3.26Å; V26-F30 WeakPolarHBondContact O-CB 3.49Å; V26-F30 PolarHBondContact O-N 3.41Å; I27-F30 PolarHBondContact O-N 2.86Å; F30-K32 PolarHBondContact O-N 2.88Å; F30-T33 PolarHBondContact O-N 3.15Å; F30-T33 VanDerWaalsContact O-N 3.15Å; F30-I34 HydrophobicContact CD1-CD1 3.57Å; F30-I34 HydrophobicContact CD1-CG1 4.38Å; F30-I34 HydrophobicContact CE1-CD1 3.2Å; F30-I34 HydrophobicContact CE1-CG1 4.19Å; F30-I34 HydrophobicContact CG-CD1 4.46Å; F30-I34 HydrophobicContact CZ-CD1 3.8Å; F30-I34 HydrophobicContact CZ-CG1 4.47Å; F30-I34 WeakPolarHBondContact O-CG1 3.3Å; F30-I34 PolarHBondContact O-N 3.41Å
31N87.9Confident84.1Confident81 Ų81100.3 Ų100.343%0.43349%0.494SS..Hα-helixtrans-61.3-42174.6-77.2-21.3000112I27 T33 I34 N35I27-N31 WeakPolarHBondContact CG2-ND2 3.25Å; I27-N31 VanDerWaalsContact O-CB 3.29Å; I27-N31 WeakPolarHBondContact O-CB 3.45Å; I27-N31 VanDerWaalsContact O-CG 3.31Å; I27-N31 PolarHBondContact O-N 2.72Å; I27-N31 PolarHBondContact O-ND2 3.33Å; N31-T33 VanDerWaalsContact C-N 3.3Å; N31-T33 PolarHBondContact O-N 3.3Å; N31-I34 PolarHBondContact O-N 3.38Å; N31-N35 WeakPolarHBondContact O-CB 3.42Å; N31-N35 PolarHBondContact O-N 3.4Å; N31-N35 PolarHBondContact O-ND2 3.43Å
32K86.2Confident82.6Confident139 Ų13998.5 Ų98.560%0.60449%0.489SS*.Hα-helixtrans-62.1-39.5175.2-170.4177.9-177.7-179.20111.5I28 I29 F30 N36I28-K32 VanDerWaalsContact O-CB 3.3Å; I28-K32 WeakPolarHBondContact O-CB 3.29Å; I28-K32 PolarHBondContact O-N 3.32Å; I29-K32 PolarHBondContact O-N 2.93Å; F30-K32 PolarHBondContact O-N 2.88Å; K32-N36 VanDerWaalsContact O-CB 3.31Å; K32-N36 WeakPolarHBondContact O-CB 3.33Å; K32-N36 PolarHBondContact O-N 2.96Å; K32-N36 PolarHBondContact O-ND2 3.05Å; K32-N36 PolarHBondContact O-OD1 2.82Å
33T83.7Confident80.9Confident82 Ų8293.3 Ų93.350%0.50347%0.469SS..Hα-helixtrans-69.8-42.4179.3-49.90000111.5I29 F30 N31 N36 K37I29-T33 WeakPolarHBondContact O-CB 3.5Å; I29-T33 PolarHBondContact O-N 3.43Å; I29-T33 PolarHBondContact O-OG1 2.86Å; F30-T33 PolarHBondContact O-N 3.15Å; F30-T33 VanDerWaalsContact O-N 3.15Å; N31-T33 VanDerWaalsContact C-N 3.3Å; N31-T33 PolarHBondContact O-N 3.3Å; T33-N36 PolarHBondContact O-N 3.39Å; T33-K37 WeakPolarHBondContact O-CB 3.25Å; T33-K37 PolarHBondContact O-N 3.45Å
34I81.9Confident79.3Confident67 Ų6793.3 Ų93.334%0.34447%0.469SS..Hα-helixtrans-61.6-49.4173.7-74.3176.1000110.6F30 N31 N36 K37 I38F30-I34 HydrophobicContact CD1-CD1 3.57Å; F30-I34 HydrophobicContact CD1-CG1 4.38Å; F30-I34 HydrophobicContact CE1-CD1 3.2Å; F30-I34 HydrophobicContact CE1-CG1 4.19Å; F30-I34 HydrophobicContact CG-CD1 4.46Å; F30-I34 HydrophobicContact CZ-CD1 3.8Å; F30-I34 HydrophobicContact CZ-CG1 4.47Å; F30-I34 WeakPolarHBondContact O-CG1 3.3Å; F30-I34 PolarHBondContact O-N 3.41Å; N31-I34 PolarHBondContact O-N 3.38Å; I34-N36 VanDerWaalsContact C-N 3.34Å; I34-N36 PolarHBondContact O-N 2.87Å; I34-K37 PolarHBondContact O-N 3.26Å; I34-I38 HydrophobicContact CG2-CD1 3.64Å; I34-I38 HydrophobicContact CG2-CG1 4.26Å; I34-I38 WeakPolarHBondContact O-CG1 3.31Å; I34-I38 PolarHBondContact O-N 3.3Å
35N79.3Confident77.7Confident90 Ų9094 Ų9448%0.48147%0.469SS..Hα-helixtrans-60.1-45.2179-71.1-14.3000111N31 K37 I38 D39N31-N35 WeakPolarHBondContact O-CB 3.42Å; N31-N35 PolarHBondContact O-N 3.4Å; N31-N35 PolarHBondContact O-ND2 3.43Å; N35-K37 VanDerWaalsContact C-N 3.27Å; N35-K37 PolarHBondContact O-N 2.89Å; N35-I38 PolarHBondContact O-N 3.47Å; N35-D39 WeakPolarHBondContact O-CB 3.36Å; N35-D39 VanDerWaalsContact O-CG 3.29Å; N35-D39 PolarHBondContact O-N 2.92Å
36N76.3Confident76.1Confident93 Ų9389.5 Ų89.550%0.49745%0.451SS..Hα-helixtrans-59.3-36.8174.3-72.8-11.1000112.6K32 T33 I34 Y40K32-N36 VanDerWaalsContact O-CB 3.31Å; K32-N36 WeakPolarHBondContact O-CB 3.33Å; K32-N36 PolarHBondContact O-N 2.96Å; K32-N36 PolarHBondContact O-ND2 3.05Å; K32-N36 PolarHBondContact O-OD1 2.82Å; T33-N36 PolarHBondContact O-N 3.39Å; I34-N36 VanDerWaalsContact C-N 3.34Å; I34-N36 PolarHBondContact O-N 2.87Å; N36-Y40 VanDerWaalsContact O-CB 3.25Å; N36-Y40 WeakPolarHBondContact O-CB 3.39Å; N36-Y40 PolarHBondContact O-N 2.84Å
37K74.8Confident74.5Confident143 Ų14391.9 Ų91.962%0.62245%0.452SS*.Hα-helixtrans-73.2-40.2178.3-170.5176.7-179.2-179.30112.1T33 I34 N35 Y40 L41T33-K37 WeakPolarHBondContact O-CB 3.25Å; T33-K37 PolarHBondContact O-N 3.45Å; I34-K37 PolarHBondContact O-N 3.26Å; N35-K37 VanDerWaalsContact C-N 3.27Å; N35-K37 PolarHBondContact O-N 2.89Å; K37-Y40 PolarHBondContact O-N 2.88Å; K37-L41 HydrophobicContact CG-CD1 4.23Å; K37-L41 WeakPolarHBondContact O-CB 3.35Å; K37-L41 WeakPolarHBondContact O-CG 3.5Å; K37-L41 PolarHBondContact O-N 3.28Å
38I72.8Confident72.8Confident98 Ų9889.9 Ų89.950%0.50345%0.446SS..Hα-helixtrans-63.5-47174.1-68.6170.8000109.6I34 N35 Y40 L41 S42I34-I38 HydrophobicContact CG2-CD1 3.64Å; I34-I38 HydrophobicContact CG2-CG1 4.26Å; I34-I38 WeakPolarHBondContact O-CG1 3.31Å; I34-I38 PolarHBondContact O-N 3.3Å; N35-I38 PolarHBondContact O-N 3.47Å; I38-Y40 VanDerWaalsContact C-N 3.34Å; I38-Y40 PolarHBondContact O-N 2.63Å; I38-L41 PolarHBondContact O-N 2.84Å; I38-S42 WeakPolarHBondContact O-CB 3.44Å; I38-S42 PolarHBondContact O-N 2.79Å; I38-S42 PolarHBondContact O-OG 3.47Å
39D68.1Low71.3Confident91 Ų9187.9 Ų87.949%0.48744%0.436SS..Hα-helixtrans-57.8-48.4174.6-73.8-16.7000110N35 L41 S42 T43N35-D39 WeakPolarHBondContact O-CB 3.36Å; N35-D39 VanDerWaalsContact O-CG 3.29Å; N35-D39 PolarHBondContact O-N 2.92Å; D39-L41 PolarHBondContact O-N 2.76Å; D39-S42 PolarHBondContact O-N 3.45Å; D39-S42 PolarHBondContact O-OG 3.3Å; D39-T43 WeakPolarHBondContact O-CG2 2.99Å; D39-T43 PolarHBondContact O-N 2.86Å
40Y65.6Low69.8Low140 Ų14084.4 Ų84.455%0.54942%0.418SS..Hα-helixtrans-58.8-48.4176.4-178.8-99.6000113N36 K37 I38 S42 T43 L44N36-Y40 VanDerWaalsContact O-CB 3.25Å; N36-Y40 WeakPolarHBondContact O-CB 3.39Å; N36-Y40 PolarHBondContact O-N 2.84Å; K37-Y40 PolarHBondContact O-N 2.88Å; I38-Y40 VanDerWaalsContact C-N 3.34Å; I38-Y40 PolarHBondContact O-N 2.63Å; Y40-S42 VanDerWaalsContact C-N 3.33Å; Y40-S42 PolarHBondContact O-N 3.16Å; Y40-T43 WeakPolarHBondContact CA-OG1 3.44Å; Y40-T43 PolarHBondContact O-N 3.44Å; Y40-T43 VanDerWaalsContact O-N 3.16Å; Y40-T43 PolarHBondContact O-OG1 3.45Å; Y40-L44 HydrophobicContact CE1-CD1 3.82Å; Y40-L44 HydrophobicContact CE2-CD1 4.1Å; Y40-L44 PolarHBondContact O-N 3.39Å; Y40-L44 WeakPolarHBondContact OH-CD1 3.24Å
41L66.5Low68.3Low99 Ų9981 Ų8152%0.51840%0.402SS..Hα-helixtrans-62.9-40.4178-74.6167.5000111.7K37 I38 D39 T43 L44 H45K37-L41 HydrophobicContact CG-CD1 4.23Å; K37-L41 WeakPolarHBondContact O-CB 3.35Å; K37-L41 WeakPolarHBondContact O-CG 3.5Å; K37-L41 PolarHBondContact O-N 3.28Å; I38-L41 PolarHBondContact O-N 2.84Å; D39-L41 PolarHBondContact O-N 2.76Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-L44 PolarHBondContact O-N 3.4Å; L41-H45 WeakPolarHBondContact O-CB 3.22Å; L41-H45 PolarHBondContact O-N 2.91Å
42S62.3Low66.8Low46 Ų4682.9 Ų82.932%0.32241%0.408SS..Hα-helixtrans-65.1-37.9174.281.60000111.6I38 D39 Y40 H45 N46I38-S42 WeakPolarHBondContact O-CB 3.44Å; I38-S42 PolarHBondContact O-N 2.79Å; I38-S42 PolarHBondContact O-OG 3.47Å; D39-S42 PolarHBondContact O-N 3.45Å; D39-S42 PolarHBondContact O-OG 3.3Å; Y40-S42 VanDerWaalsContact C-N 3.33Å; Y40-S42 PolarHBondContact O-N 3.16Å; S42-H45 PolarHBondContact O-N 3.37Å; S42-N46 VanDerWaalsContact O-CB 3.22Å; S42-N46 WeakPolarHBondContact O-CB 3.34Å; S42-N46 PolarHBondContact O-N 3.33Å; S42-N46 PolarHBondContact O-ND2 2.83Å
43T57.5Low65.6Low30 Ų3079.7 Ų79.718%0.18440%0.397CS..Hα-helixtrans-65.8-40.2175.670.20000111.3D39 Y40 L41 R47 L408D39-T43 WeakPolarHBondContact O-CG2 2.99Å; D39-T43 PolarHBondContact O-N 2.86Å; Y40-T43 WeakPolarHBondContact CA-OG1 3.44Å; Y40-T43 PolarHBondContact O-N 3.44Å; Y40-T43 VanDerWaalsContact O-N 3.16Å; Y40-T43 PolarHBondContact O-OG1 3.45Å; L41-T43 VanDerWaalsContact C-N 3.34Å; T43-R47 VanDerWaalsContact O-CB 3.24Å; T43-R47 WeakPolarHBondContact O-CB 3.39Å; T43-R47 WeakPolarHBondContact O-CG 3.35Å; T43-R47 PolarHBondContact O-N 2.82Å; T43-L408 HydrophobicContact CG2-CB 4.1Å; T43-L408 HydrophobicContact CG2-CD1 4.06Å; T43-L408 HydrophobicContact CG2-CD2 3.84Å; T43-L408 HydrophobicContact CG2-CG 4.22Å
44L58Low65Low87 Ų8776.3 Ų76.346%0.45538%0.376SS..Hα-helixtrans-65.2-44.9176.5-133.691.7000110.6Y40 L41 S48Y40-L44 HydrophobicContact CE1-CD1 3.82Å; Y40-L44 HydrophobicContact CE2-CD1 4.1Å; Y40-L44 PolarHBondContact O-N 3.39Å; Y40-L44 WeakPolarHBondContact OH-CD1 3.24Å; L41-L44 PolarHBondContact O-N 3.4Å; L44-S48 WeakPolarHBondContact O-CB 3.33Å; L44-S48 PolarHBondContact O-N 3.06Å
45H61.1Low64.9Low111 Ų11176.2 Ų76.251%0.51438%0.376SS..Hα-helixtrans-65-42.3177.3-174.268.9000112.3L41 S42 S48 L49L41-H45 WeakPolarHBondContact O-CB 3.22Å; L41-H45 PolarHBondContact O-N 2.91Å; S42-H45 PolarHBondContact O-N 3.37Å; H45-S48 CarbonylContact O-C 3.55Å; H45-S48 WeakPolarHBondContact O-CA 3.39Å; H45-S48 VanDerWaalsContact O-CB 3.24Å; H45-S48 WeakPolarHBondContact O-CB 3.13Å; H45-S48 PolarHBondContact O-N 3.24Å; H45-L49 WeakPolarHBondContact O-CG 3.3Å; H45-L49 PolarHBondContact O-N 3.39Å
46N58.6Low65Low27 Ų2777.8 Ų77.814%0.14438%0.384CS..Hα-helixtrans-71.5-41.5178.3-73.8-33.3000112.2S42 S48 L49 I50 M404 L408S42-N46 VanDerWaalsContact O-CB 3.22Å; S42-N46 WeakPolarHBondContact O-CB 3.34Å; S42-N46 PolarHBondContact O-N 3.33Å; S42-N46 PolarHBondContact O-ND2 2.83Å; N46-S48 VanDerWaalsContact C-N 3.28Å; N46-S48 PolarHBondContact O-N 2.88Å; N46-L49 WeakPolarHBondContact O-CB 3.46Å; N46-L49 PolarHBondContact O-N 2.83Å; N46-I50 PolarHBondContact O-N 2.84Å; N46-M404 VanDerWaalsContact C-CE 3.45Å; N46-M404 HydrophobicContact CB-CE 3.86Å; N46-M404 HydrophobicContact CB-SD 3.86Å; N46-M404 WeakPolarHBondContact O-CE 3.47Å; N46-L408 HydrophobicContact CB-CD2 3.85Å; N46-L408 WeakPolarHBondContact ND2-CD2 3.34Å
47R59.8Low65.5Low119 Ų11977.7 Ų77.745%0.44938%0.381SS..Hα-helixtrans-56.4-48168.7-82.6-175.8176-172.90.8109.8T43 L49 I50 Y51 L408T43-R47 VanDerWaalsContact O-CB 3.24Å; T43-R47 WeakPolarHBondContact O-CB 3.39Å; T43-R47 WeakPolarHBondContact O-CG 3.35Å; T43-R47 PolarHBondContact O-N 2.82Å; R47-L49 VanDerWaalsContact C-N 3.26Å; R47-L49 PolarHBondContact O-N 2.94Å; R47-I50 PolarHBondContact O-N 3.02Å; R47-Y51 HydrophobicContact CB-CD2 3.87Å; R47-Y51 HydrophobicContact CB-CE2 3.82Å; R47-Y51 HydrophobicContact CG-CE2 3.96Å; R47-Y51 WeakPolarHBondContact O-CB 3.01Å; R47-Y51 WeakPolarHBondContact O-CD2 3.1Å; R47-Y51 VanDerWaalsContact O-CG 3.3Å; R47-Y51 PolarHBondContact O-N 2.67Å; R47-L408 HydrophobicContact CG-CD1 4.41Å
48S55.3Low66.1Low40 Ų4071.3 Ų71.328%0.2835%0.353SS..Hα-helixtrans-53.4-40.6171.9167.70000111.6L44 H45 N46 Y51 Q52L44-S48 WeakPolarHBondContact O-CB 3.33Å; L44-S48 PolarHBondContact O-N 3.06Å; H45-S48 CarbonylContact O-C 3.55Å; H45-S48 WeakPolarHBondContact O-CA 3.39Å; H45-S48 VanDerWaalsContact O-CB 3.24Å; H45-S48 WeakPolarHBondContact O-CB 3.13Å; H45-S48 PolarHBondContact O-N 3.24Å; N46-S48 VanDerWaalsContact C-N 3.28Å; N46-S48 PolarHBondContact O-N 2.88Å; S48-Y51 CarbonylContact O-C 3.6Å; S48-Y51 PolarHBondContact O-N 3.33Å; S48-Q52 WeakPolarHBondContact O-CA 3.46Å; S48-Q52 WeakPolarHBondContact O-CB 3.32Å; S48-Q52 WeakPolarHBondContact O-CG 3.21Å; S48-Q52 PolarHBondContact O-N 2.92Å; S48-Q52 WeakPolarHBondContact OG-CG 2.92Å; S48-Q52 PolarHBondContact OG-NE2 3.07Å
49L60Low66.9Low54 Ų5467.7 Ų67.728%0.28334%0.335SS..Hα-helixtrans-67.2-36.1178.4-76.9160.6000114.6H45 N46 R47 N53 Y106H45-L49 WeakPolarHBondContact O-CG 3.3Å; H45-L49 PolarHBondContact O-N 3.39Å; N46-L49 WeakPolarHBondContact O-CB 3.46Å; N46-L49 PolarHBondContact O-N 2.83Å; R47-L49 VanDerWaalsContact C-N 3.26Å; R47-L49 PolarHBondContact O-N 2.94Å; L49-N53 PolarHBondContact O-ND2 2.65Å; L49-Y106 HydrophobicContact CB-CE1 4.17Å
50I59.3Low68Low7 Ų770.2 Ų70.24%0.03634%0.343CS..Hα-helixtrans-64-55.2167.5-70.4-177.2000109.2N46 R47 I54 Y106 L107 M404N46-I50 PolarHBondContact O-N 2.84Å; R47-I50 PolarHBondContact O-N 3.02Å; I50-I54 HydrophobicContact CG2-CD1 3.54Å; I50-I54 HydrophobicContact CG2-CG1 4.3Å; I50-I54 WeakPolarHBondContact O-CG1 3.42Å; I50-I54 PolarHBondContact O-N 3.37Å; I50-Y106 WeakPolarHBondContact CG1-OH 3.4Å; I50-Y106 PolarHBondContact N-OH 3.05Å; I50-L107 HydrophobicContact CD1-CD2 4.24Å; I50-M404 HydrophobicContact CB-CE 4.47Å; I50-M404 HydrophobicContact CD1-CB 3.5Å; I50-M404 HydrophobicContact CD1-CE 3.34Å; I50-M404 HydrophobicContact CD1-CG 3.84Å; I50-M404 HydrophobicContact CD1-SD 4.44Å; I50-M404 HydrophobicContact CG1-CE 3.4Å; I50-M404 VanDerWaalsContact CG1-CE 3.4Å
51Y58.2Low69.2Low58 Ų5864.1 Ų64.123%0.22732%0.32CS..Hα-helixtrans-80.5-17.9-164.7-61-50.8000113.8R47 S48 N53 I59 Y397R47-Y51 HydrophobicContact CB-CD2 3.87Å; R47-Y51 HydrophobicContact CB-CE2 3.82Å; R47-Y51 HydrophobicContact CG-CE2 3.96Å; R47-Y51 WeakPolarHBondContact O-CB 3.01Å; R47-Y51 WeakPolarHBondContact O-CD2 3.1Å; R47-Y51 VanDerWaalsContact O-CG 3.3Å; R47-Y51 PolarHBondContact O-N 2.67Å; S48-Y51 CarbonylContact O-C 3.6Å; S48-Y51 PolarHBondContact O-N 3.33Å; Y51-N53 PolarHBondContact O-N 3.02Å; Y51-I59 HydrophobicContact CD1-CD1 3.49Å; Y51-I59 VanDerWaalsContact CD1-CD1 3.49Å; Y51-I59 HydrophobicContact CD1-CG1 4.26Å; Y51-I59 HydrophobicContact CE1-CD1 4.3Å; Y51-I59 HydrophobicContact CG-CD1 4.17Å; Y51-Y397 HydrophobicContact CD1-CE2 4.31Å; Y51-Y397 AromaticContact CE1-CE2 3.67Å; Y51-Y397 HydrophobicContact CE1-CE2 3.67Å; Y51-Y397 AromaticContact CE1-CZ 3.88Å; Y51-Y397 VanDerWaalsContact CE1-OH 3.25Å; Y51-Y397 WeakPolarHBondContact CE1-OH 3.36Å; Y51-Y397 PolarHBondContact OH-OH 3.46Å
52Q57.1Low70.6Confident120 Ų12059.4 Ų59.456%0.56130%0.295SS*.THydrogen-bonded Turntrans-62-26176-92.5171.9-10.500111.4S48S48-Q52 WeakPolarHBondContact O-CA 3.46Å; S48-Q52 WeakPolarHBondContact O-CB 3.32Å; S48-Q52 WeakPolarHBondContact O-CG 3.21Å; S48-Q52 PolarHBondContact O-N 2.92Å; S48-Q52 WeakPolarHBondContact OG-CG 2.92Å; S48-Q52 PolarHBondContact OG-NE2 3.07Å
53N61.4Low72.1Confident71 Ų7159.2 Ų59.238%0.3829%0.29SS..THydrogen-bonded Turntrans-115.1-24.9-172.9-57.4-62000112.6L49 Y51 D55 L88 Y89L49-N53 PolarHBondContact O-ND2 2.65Å; Y51-N53 PolarHBondContact O-N 3.02Å; N53-D55 PolarHBondContact O-N 3.09Å; N53-L88 HydrophobicContact CB-CD2 3.59Å; N53-L88 WeakPolarHBondContact O-CD2 3.32Å; N53-Y89 HydrophobicContact CB-CE2 3.93Å; N53-Y89 VanDerWaalsContact CB-OH 3.24Å; N53-Y89 WeakPolarHBondContact CB-OH 3.37Å; N53-Y89 PolarHBondContact ND2-OH 2.86Å; N53-Y89 VanDerWaalsContact ND2-OH 3.16Å; N53-Y89 PolarHBondContact OD1-OH 3.14Å
54I70.4Confident74Confident12 Ų1261 Ų616%0.06230%0.303CS..SBendtrans-71.6129.1169.7-56.7-179000107.8I50 L56 L58 I59 L88 Y397I50-I54 HydrophobicContact CG2-CD1 3.54Å; I50-I54 HydrophobicContact CG2-CG1 4.3Å; I50-I54 WeakPolarHBondContact O-CG1 3.42Å; I50-I54 PolarHBondContact O-N 3.37Å; I54-L56 PolarHBondContact O-N 3.3Å; I54-L58 HydrophobicContact CG2-CB 4.36Å; I54-L58 HydrophobicContact CG2-CD2 4.13Å; I54-L58 HydrophobicContact CG2-CG 4.42Å; I54-I59 HydrophobicContact CB-CD1 4.04Å; I54-I59 HydrophobicContact CB-CG1 4.05Å; I54-I59 HydrophobicContact CG2-CD1 4.13Å; I54-I59 HydrophobicContact CG2-CG1 3.57Å; I54-L88 HydrophobicContact CB-CD1 4.36Å; I54-L88 HydrophobicContact CD1-CD1 4.11Å; I54-L88 HydrophobicContact CG1-CD1 3.25Å; I54-L88 HydrophobicContact CG1-CG 3.83Å; I54-Y397 HydrophobicContact CD1-CD2 3.7Å; I54-Y397 HydrophobicContact CD1-CE2 4.07Å
55D79.6Confident75.9Confident64 Ų6457 Ų5734%0.34228%0.282SS..  trans-53.2131.1174-168-74.1000111N53 E57 L58 I59 H86N53-D55 PolarHBondContact O-N 3.09Å; D55-E57 PolarHBondContact O-N 3.4Å; D55-E57 WeakPolarHBondContact OD1-CA 3.34Å; D55-E57 WeakPolarHBondContact OD1-CB 3.03Å; D55-E57 PolarHBondContact OD1-N 3.47Å; D55-L58 HydrophobicContact CB-CB 4.25Å; D55-L58 PolarHBondContact O-N 3.12Å; D55-L58 VanDerWaalsContact O-N 3.09Å; D55-I59 PolarHBondContact O-N 2.9Å; D55-H86 HydrophobicContact CB-CB 4.01Å; D55-H86 IonicContact OD1-CE1 2.73Å; D55-H86 IonicContact OD1-ND1 2.75Å; D55-H86 IonicContact OD2-ND1 3.35Å
56L83Confident77.6Confident123 Ų12352 Ų5264%0.64426%0.259SS*.Hα-helixtrans-59.3-37-179.6-72.3172000111.6I54 L58 I59 E60I54-L56 PolarHBondContact O-N 3.3Å; L56-L58 VanDerWaalsContact C-N 3.34Å; L56-L58 PolarHBondContact O-N 2.65Å; L56-I59 HydrophobicContact CD2-CD1 4.35Å; L56-I59 PolarHBondContact O-N 3.23Å; L56-E60 WeakPolarHBondContact O-CG 3.44Å; L56-E60 PolarHBondContact O-N 2.83Å
57E85.4Confident79.4Confident92 Ų9255.7 Ų55.743%0.4328%0.279SS..Hα-helixtrans-60.3-45175.2-165.5-169.4155.900110.3D55 I59 E60 I61 Y81 H86D55-E57 PolarHBondContact O-N 3.4Å; D55-E57 WeakPolarHBondContact OD1-CA 3.34Å; D55-E57 WeakPolarHBondContact OD1-CB 3.03Å; D55-E57 PolarHBondContact OD1-N 3.47Å; E57-I59 PolarHBondContact O-N 3.31Å; E57-E60 PolarHBondContact O-N 3.17Å; E57-I61 HydrophobicContact CG-CD1 4Å; E57-I61 WeakPolarHBondContact O-CB 3.47Å; E57-I61 WeakPolarHBondContact O-CD1 3.48Å; E57-I61 WeakPolarHBondContact O-CG1 3Å; E57-I61 PolarHBondContact O-N 3.37Å; E57-Y81 PolarHBondContact OE1-OH 2.88Å; E57-H86 IonicContact OE2-CE1 2.65Å; E57-H86 PolarHBondContact OE2-CE1 3.33Å; E57-H86 VanDerWaalsContact OE2-CE1 3.29Å; E57-H86 IonicContact OE2-NE2 3.73Å
58L88Confident81.2Confident9 Ų957.5 Ų57.55%0.04729%0.29CS..Hα-helixtrans-64.5-40.3177.6-178.762.5000111.8I54 D55 L56 E60 I61 C62 T83 H86 D393I54-L58 HydrophobicContact CG2-CB 4.36Å; I54-L58 HydrophobicContact CG2-CD2 4.13Å; I54-L58 HydrophobicContact CG2-CG 4.42Å; D55-L58 HydrophobicContact CB-CB 4.25Å; D55-L58 PolarHBondContact O-N 3.12Å; D55-L58 VanDerWaalsContact O-N 3.09Å; L56-L58 VanDerWaalsContact C-N 3.34Å; L56-L58 PolarHBondContact O-N 2.65Å; L58-E60 VanDerWaalsContact C-N 3.35Å; L58-E60 PolarHBondContact O-N 2.91Å; L58-I61 PolarHBondContact O-N 2.88Å; L58-C62 WeakPolarHBondContact O-CB 3.24Å; L58-C62 PolarHBondContact O-N 2.68Å; L58-C62 PolarHBondContact O-SG 2.94Å; L58-T83 HydrophobicContact CD1-CG2 4.01Å; L58-H86 HydrophobicContact CB-CB 3.86Å; L58-H86 HydrophobicContact CD2-CB 3.84Å; L58-H86 HydrophobicContact CG-CB 4.31Å; L58-D393 HydrophobicContact CD1-CB 4.45Å
59I89.3Confident83.1Confident22 Ų2260 Ų6011%0.11330%0.297CS..Hα-helixtrans-59.5-48.2175.7-65.1168000110.2Y51 I54 D55 L56 E57 I61 C62 E63 Y397Y51-I59 HydrophobicContact CD1-CD1 3.49Å; Y51-I59 VanDerWaalsContact CD1-CD1 3.49Å; Y51-I59 HydrophobicContact CD1-CG1 4.26Å; Y51-I59 HydrophobicContact CE1-CD1 4.3Å; Y51-I59 HydrophobicContact CG-CD1 4.17Å; I54-I59 HydrophobicContact CB-CD1 4.04Å; I54-I59 HydrophobicContact CB-CG1 4.05Å; I54-I59 HydrophobicContact CG2-CD1 4.13Å; I54-I59 HydrophobicContact CG2-CG1 3.57Å; D55-I59 PolarHBondContact O-N 2.9Å; L56-I59 HydrophobicContact CD2-CD1 4.35Å; L56-I59 PolarHBondContact O-N 3.23Å; E57-I59 PolarHBondContact O-N 3.31Å; I59-I61 PolarHBondContact O-N 3.3Å; I59-C62 PolarHBondContact O-N 3.04Å; I59-E63 HydrophobicContact CG2-CG 4.2Å; I59-E63 WeakPolarHBondContact O-CB 2.97Å; I59-E63 WeakPolarHBondContact O-CG 3.37Å; I59-E63 PolarHBondContact O-N 2.59Å; I59-Y397 HydrophobicContact CG1-CE2 3.94Å; I59-Y397 HydrophobicContact CG2-CE2 4.35Å
60E91Very high84.8Confident144 Ų14458 Ų5867%0.67329%0.288SS*.Hα-helixtrans-61.4-44.8179.4-72.5179.9-177.900112L56 E57 L58 C62 S64L56-E60 WeakPolarHBondContact O-CG 3.44Å; L56-E60 PolarHBondContact O-N 2.83Å; E57-E60 PolarHBondContact O-N 3.17Å; L58-E60 VanDerWaalsContact C-N 3.35Å; L58-E60 PolarHBondContact O-N 2.91Å; E60-C62 VanDerWaalsContact C-N 3.31Å; E60-C62 PolarHBondContact O-N 2.84Å; E60-S64 VanDerWaalsContact O-CB 3.3Å; E60-S64 WeakPolarHBondContact O-CB 3.36Å; E60-S64 PolarHBondContact O-N 3.32Å
61I92.1Very high86.6Confident11 Ų1162.6 Ų62.66%0.05631%0.312CS..Hα-helixtrans-56.7-47.5174-70.6163.2000110.3E57 L58 I59 S64 F65 Y78 Y81E57-I61 HydrophobicContact CG-CD1 4Å; E57-I61 WeakPolarHBondContact O-CB 3.47Å; E57-I61 WeakPolarHBondContact O-CD1 3.48Å; E57-I61 WeakPolarHBondContact O-CG1 3Å; E57-I61 PolarHBondContact O-N 3.37Å; L58-I61 PolarHBondContact O-N 2.88Å; I59-I61 PolarHBondContact O-N 3.3Å; I61-S64 WeakPolarHBondContact O-CB 3.41Å; I61-S64 PolarHBondContact O-N 2.87Å; I61-F65 HydrophobicContact CG2-CD2 3.88Å; I61-F65 HydrophobicContact CG2-CE2 3.68Å; I61-F65 VanDerWaalsContact O-CD2 3.25Å; I61-F65 WeakPolarHBondContact O-CD2 3.42Å; I61-F65 PolarHBondContact O-N 2.83Å; I61-Y78 HydrophobicContact CD1-CE1 3.84Å; I61-Y78 HydrophobicContact CG1-CE1 3.95Å; I61-Y78 HydrophobicContact CG2-CD1 4.28Å; I61-Y78 HydrophobicContact CG2-CE1 3.78Å; I61-Y81 HydrophobicContact CD1-CE1 4.13Å
62C94.7Very high88.4Confident0 Ų062.9 Ų62.90%032%0.315CS..Hα-helixtrans-70.1-45.2-176.3-65.10000112.8L58 I59 E60 S64 F65 L66 C394 Y397L58-C62 WeakPolarHBondContact O-CB 3.24Å; L58-C62 PolarHBondContact O-N 2.68Å; L58-C62 PolarHBondContact O-SG 2.94Å; I59-C62 PolarHBondContact O-N 3.04Å; E60-C62 VanDerWaalsContact C-N 3.31Å; E60-C62 PolarHBondContact O-N 2.84Å; C62-S64 VanDerWaalsContact C-N 3.26Å; C62-S64 PolarHBondContact O-N 3.04Å; C62-F65 PolarHBondContact O-N 2.73Å; C62-L66 HydrophobicContact CB-CD1 4.21Å; C62-L66 VanDerWaalsContact O-CB 3.23Å; C62-L66 WeakPolarHBondContact O-CB 3.31Å; C62-L66 WeakPolarHBondContact O-CD1 3.46Å; C62-L66 WeakPolarHBondContact O-CG 3.46Å; C62-L66 PolarHBondContact O-N 2.81Å; C62-C394 WeakPolarHBondContact CA-SG 3.37Å; C62-C394 HydrophobicContact CB-CB 3.55Å; C62-C394 WeakPolarHBondContact CB-SG 2.94Å; C62-C394 WeakPolarHBondContact SG-CA 3.17Å; C62-C394 WeakPolarHBondContact SG-CB 3.37Å; C62-C394 CovalentContact SG-SG 2.05Å; C62-C394 PolarHBondContact SG-SG 3.09Å; C62-Y397 HydrophobicContact CB-CD1 3.89Å; C62-Y397 HydrophobicContact CB-CE1 4.37Å; C62-Y397 HydrophobicContact CB-CG 4.27Å
63E95.4Very high90.3Very high43 Ų4362.2 Ų62.220%0.20132%0.32CS..Hα-helixtrans-61.8-35.8175.6-70.7-65.3160.700111.5I59 N67 Y397 K401I59-E63 HydrophobicContact CG2-CG 4.2Å; I59-E63 WeakPolarHBondContact O-CB 2.97Å; I59-E63 WeakPolarHBondContact O-CG 3.37Å; I59-E63 PolarHBondContact O-N 2.59Å; E63-N67 WeakPolarHBondContact O-CB 3.4Å; E63-N67 PolarHBondContact O-N 3.18Å; E63-N67 PolarHBondContact O-ND2 3.31Å; E63-N67 PolarHBondContact OE2-ND2 3.28Å; E63-Y397 HydrophobicContact CG-CE1 4.45Å; E63-Y397 VanDerWaalsContact OE1-CE1 3.32Å; E63-Y397 WeakPolarHBondContact OE1-CE1 3.44Å; E63-Y397 PolarHBondContact OE1-OH 3.35Å; E63-K401 IonicContact OE1-NZ 2.65Å; E63-K401 PolarHBondContact OE1-NZ 3.33Å; E63-K401 IonicContact OE2-NZ 3.37Å; E63-K401 PolarHBondContact OE2-NZ 3.09Å
64S96Very high92Very high66 Ų6661.5 Ų61.546%0.46232%0.316SS..Hα-helixtrans-59.3-48.9175-176.30000112.1E60 I61 C62 K68E60-S64 VanDerWaalsContact O-CB 3.3Å; E60-S64 WeakPolarHBondContact O-CB 3.36Å; E60-S64 PolarHBondContact O-N 3.32Å; I61-S64 WeakPolarHBondContact O-CB 3.41Å; I61-S64 PolarHBondContact O-N 2.87Å; C62-S64 VanDerWaalsContact C-N 3.26Å; C62-S64 PolarHBondContact O-N 3.04Å; S64-K68 PolarHBondContact O-N 2.56Å
65F97.6Very high93.3Very high3 Ų361 Ų611%0.01331%0.313CS..Hα-helixtrans-84.4-23.4-176.5-62.3-46.7000115.2I61 C62 P70 L74 Y78 V366 L369 Y370I61-F65 HydrophobicContact CG2-CD2 3.88Å; I61-F65 HydrophobicContact CG2-CE2 3.68Å; I61-F65 VanDerWaalsContact O-CD2 3.25Å; I61-F65 WeakPolarHBondContact O-CD2 3.42Å; I61-F65 PolarHBondContact O-N 2.83Å; C62-F65 PolarHBondContact O-N 2.73Å; F65-P70 HydrophobicContact CD1-CB 3.7Å; F65-P70 HydrophobicContact CD1-CG 3.65Å; F65-P70 HydrophobicContact CE1-CB 3.55Å; F65-P70 HydrophobicContact CE1-CG 3.84Å; F65-L74 HydrophobicContact CE1-CD2 4.05Å; F65-L74 HydrophobicContact CE1-CG 4.18Å; F65-L74 HydrophobicContact CZ-CG 4.42Å; F65-Y78 HydrophobicContact CE2-CD1 4.21Å; F65-Y78 AromaticContact CE2-CD2 3.91Å; F65-Y78 HydrophobicContact CE2-CD2 3.91Å; F65-Y78 HydrophobicContact CE2-CE1 4.28Å; F65-Y78 HydrophobicContact CE2-CE2 4Å; F65-Y78 HydrophobicContact CE2-CG 4.01Å; F65-Y78 AromaticContact CZ-CD2 3.55Å; F65-Y78 HydrophobicContact CZ-CD2 3.55Å; F65-Y78 AromaticContact CZ-CE2 3.57Å; F65-Y78 HydrophobicContact CZ-CE2 3.57Å; F65-Y78 HydrophobicContact CZ-CG 4.11Å; F65-V366 HydrophobicContact CD1-CB 4.36Å; F65-V366 HydrophobicContact CD2-CB 3.78Å; F65-V366 HydrophobicContact CD2-CG1 3.8Å; F65-V366 HydrophobicContact CD2-CG2 4.46Å; F65-V366 HydrophobicContact CE1-CG2 4.34Å; F65-V366 HydrophobicContact CE2-CB 3.96Å; F65-V366 HydrophobicContact CE2-CG1 3.86Å; F65-V366 HydrophobicContact CE2-CG2 4.19Å; F65-V366 HydrophobicContact CG-CB 3.99Å; F65-V366 HydrophobicContact CG-CG1 4.48Å; F65-V366 HydrophobicContact CZ-CB 4.35Å; F65-V366 HydrophobicContact CZ-CG2 4.14Å; F65-L369 HydrophobicContact CB-CB 4.21Å; F65-L369 HydrophobicContact CB-CD1 3.51Å; F65-L369 HydrophobicContact CD2-CD1 4.37Å; F65-L369 HydrophobicContact CG-CD1 4.32Å; F65-L369 WeakPolarHBondContact O-CB 3.5Å; F65-Y370 PolarHBondContact O-N 3.13Å; F65-Y370 VanDerWaalsContact O-N 3.12Å
66L97.2Very high94.1Very high7 Ų764.4 Ų64.44%0.03733%0.325CS..Hα-helixtrans-76-31.8176.3-71.9165.9000111.9C62 L369 Y370 T373 Y397 W398C62-L66 HydrophobicContact CB-CD1 4.21Å; C62-L66 VanDerWaalsContact O-CB 3.23Å; C62-L66 WeakPolarHBondContact O-CB 3.31Å; C62-L66 WeakPolarHBondContact O-CD1 3.46Å; C62-L66 WeakPolarHBondContact O-CG 3.46Å; C62-L66 PolarHBondContact O-N 2.81Å; L66-L369 HydrophobicContact CD2-CB 4.27Å; L66-L369 HydrophobicContact CD2-CD2 4.18Å; L66-Y370 WeakPolarHBondContact O-CD2 3.11Å; L66-T373 HydrophobicContact CB-CG2 4.38Å; L66-T373 HydrophobicContact CD2-CG2 3.68Å; L66-Y397 HydrophobicContact CD1-CD1 3.79Å; L66-Y397 HydrophobicContact CD1-CE1 4.15Å; L66-W398 HydrophobicContact CD1-CB 3.82Å; L66-W398 HydrophobicContact CD1-CG 4.31Å; L66-W398 HydrophobicContact CD2-CB 3.81Å; L66-W398 HydrophobicContact CD2-CG 3.93Å
67N96.7Very high94.8Very high104 Ų10464.6 Ų64.656%0.55632%0.322SS*.Hα-helixtrans-95.8-16.5-177.1-64.2-58.2000113.7E63 Y370E63-N67 WeakPolarHBondContact O-CB 3.4Å; E63-N67 PolarHBondContact O-N 3.18Å; E63-N67 PolarHBondContact O-ND2 3.31Å; E63-N67 PolarHBondContact OE2-ND2 3.28Å; N67-Y370 VanDerWaalsContact C-CD2 3.41Å; N67-Y370 WeakPolarHBondContact O-CD2 3.11Å; N67-Y370 WeakPolarHBondContact O-CE2 3.3Å
68K96.8Very high95.3Very high157 Ų15762.2 Ų62.268%0.68331%0.31SS*.SBendtrans-148.5138-179-172.4174.6178.8178.10112.4S64 P70S64-K68 PolarHBondContact O-N 2.56Å; K68-P70 WeakPolarHBondContact O-CD 3.15Å
69E96.1Very high95.7Very high92 Ų9263.2 Ų63.243%0.4331%0.314SS..PPolyproline II helixtrans-68.4124.2172.8-171.8171.6169.800110.4Y370E69-Y370 HydrophobicContact CB-CD1 4.08Å; E69-Y370 HydrophobicContact CB-CG 4.46Å
70P96.4Very high95.9Very high14 Ų1470 Ų709%0.09134%0.34CS..PPolyproline II helixtrans-77.6151.4-18031.7-35.6000112F65 K68 L74 A75 V366F65-P70 HydrophobicContact CD1-CB 3.7Å; F65-P70 HydrophobicContact CD1-CG 3.65Å; F65-P70 HydrophobicContact CE1-CB 3.55Å; F65-P70 HydrophobicContact CE1-CG 3.84Å; K68-P70 WeakPolarHBondContact O-CD 3.15Å; P70-L74 HydrophobicContact CB-CD2 4.21Å; P70-A75 HydrophobicContact CB-CB 4.39Å; P70-A75 HydrophobicContact CG-CB 4.1Å; P70-V366 HydrophobicContact CG-CG2 4.45Å
71N96.7Very high96Very high103 Ų10366 Ų6655%0.55132%0.319SS*.PPolyproline II helixtrans-66.9160.3166.274.548.9000110.7T73 L74 A75N71-T73 VanDerWaalsContact C-N 3.29Å; N71-T73 PolarHBondContact O-N 2.86Å; N71-T73 WeakPolarHBondContact OD1-CB 3.39Å; N71-T73 PolarHBondContact OD1-N 2.96Å; N71-T73 VanDerWaalsContact OD1-N 3.08Å; N71-L74 PolarHBondContact O-N 3.2Å; N71-L74 PolarHBondContact OD1-N 2.85Å; N71-A75 WeakPolarHBondContact O-CB 3.49Å; N71-A75 PolarHBondContact O-N 3.36Å
72Q96.3Very high95.6Very high63 Ų6368.7 Ų68.729%0.29434%0.339SS..Hα-helixtrans-65.6-30-174.4-69.5-63.6-29.200113.7K76 A353Q72-K76 WeakPolarHBondContact O-CB 3.46Å; Q72-K76 VanDerWaalsContact O-CG 3.29Å; Q72-K76 WeakPolarHBondContact O-CG 3.49Å; Q72-K76 PolarHBondContact O-N 2.78Å; Q72-A353 PolarHBondContact NE2-O 3.23Å; Q72-A353 PolarHBondContact OE1-O 3.44Å
73T97.1Very high94.9Very high107 Ų10768.8 Ų68.866%0.65634%0.339SS*.Hα-helixtrans-68.2-50.7179.2-55.10000110.8N71 K76N71-T73 VanDerWaalsContact C-N 3.29Å; N71-T73 PolarHBondContact O-N 2.86Å; N71-T73 WeakPolarHBondContact OD1-CB 3.39Å; N71-T73 PolarHBondContact OD1-N 2.96Å; N71-T73 VanDerWaalsContact OD1-N 3.08Å; T73-K76 PolarHBondContact O-N 3.27Å
74L96.8Very high94Very high56 Ų5672.6 Ų72.629%0.29336%0.355SS..Hα-helixtrans-60.5-47.9175.3176.361.4000110.6F65 P70 N71 K76 Q77 Y78F65-L74 HydrophobicContact CE1-CD2 4.05Å; F65-L74 HydrophobicContact CE1-CG 4.18Å; F65-L74 HydrophobicContact CZ-CG 4.42Å; P70-L74 HydrophobicContact CB-CD2 4.21Å; N71-L74 PolarHBondContact O-N 3.2Å; N71-L74 PolarHBondContact OD1-N 2.85Å; L74-K76 VanDerWaalsContact C-N 3.31Å; L74-K76 PolarHBondContact O-N 2.96Å; L74-Q77 WeakPolarHBondContact O-CB 3.47Å; L74-Q77 PolarHBondContact O-N 3.2Å; L74-Q77 VanDerWaalsContact O-N 3.12Å; L74-Y78 HydrophobicContact CD1-CE2 4.05Å; L74-Y78 WeakPolarHBondContact O-CD2 3.34Å
75A97.1Very high92.8Very high0 Ų078.1 Ų78.10%037%0.374CS..Hα-helixtrans-57.7-44.2-179.400000112P70 N71 Q77 Y78 V366 Q367 Y388P70-A75 HydrophobicContact CB-CB 4.39Å; P70-A75 HydrophobicContact CG-CB 4.1Å; N71-A75 WeakPolarHBondContact O-CB 3.49Å; N71-A75 PolarHBondContact O-N 3.36Å; A75-Q77 PolarHBondContact O-N 3.07Å; A75-Q77 VanDerWaalsContact O-N 3.15Å; A75-Y78 PolarHBondContact O-N 3.45Å; A75-V366 HydrophobicContact CB-CG2 3.84Å; A75-Q367 HydrophobicContact CB-CG 3.58Å; A75-Y388 WeakPolarHBondContact O-CE1 3.13Å
76K96.9Very high91.5Very high136 Ų13678.8 Ų78.859%0.59138%0.377SS*.Hα-helixtrans-58.4-28.2179.4-82.4179.2178.5-177.10114.1Q72 T73 L74 Y78 Q79Q72-K76 WeakPolarHBondContact O-CB 3.46Å; Q72-K76 VanDerWaalsContact O-CG 3.29Å; Q72-K76 WeakPolarHBondContact O-CG 3.49Å; Q72-K76 PolarHBondContact O-N 2.78Å; T73-K76 PolarHBondContact O-N 3.27Å; L74-K76 VanDerWaalsContact C-N 3.31Å; L74-K76 PolarHBondContact O-N 2.96Å; K76-Y78 PolarHBondContact O-N 3.44Å; K76-Q79 WeakPolarHBondContact O-CB 3.36Å; K76-Q79 PolarHBondContact O-N 3.34Å; K76-Q79 VanDerWaalsContact O-N 3.16Å
77Q96.4Very high90Very high127 Ų12779.9 Ų79.959%0.59338%0.382SS*.Hα-helixtrans-60.6-28.1175-63.5174.3-15.700111.8L74 A75L74-Q77 WeakPolarHBondContact O-CB 3.47Å; L74-Q77 PolarHBondContact O-N 3.2Å; L74-Q77 VanDerWaalsContact O-N 3.12Å; A75-Q77 PolarHBondContact O-N 3.07Å; A75-Q77 VanDerWaalsContact O-N 3.15Å
78Y95.9Very high88.4Confident42 Ų4276.4 Ų76.417%0.16536%0.364CS..THydrogen-bonded Turntrans-95.16.5-179.7-67.5-91.8000114.2I61 F65 L74 A75 K76 Y80 Y81 Y388I61-Y78 HydrophobicContact CD1-CE1 3.84Å; I61-Y78 HydrophobicContact CG1-CE1 3.95Å; I61-Y78 HydrophobicContact CG2-CD1 4.28Å; I61-Y78 HydrophobicContact CG2-CE1 3.78Å; F65-Y78 HydrophobicContact CE2-CD1 4.21Å; F65-Y78 AromaticContact CE2-CD2 3.91Å; F65-Y78 HydrophobicContact CE2-CD2 3.91Å; F65-Y78 HydrophobicContact CE2-CE1 4.28Å; F65-Y78 HydrophobicContact CE2-CE2 4Å; F65-Y78 HydrophobicContact CE2-CG 4.01Å; F65-Y78 AromaticContact CZ-CD2 3.55Å; F65-Y78 HydrophobicContact CZ-CD2 3.55Å; F65-Y78 AromaticContact CZ-CE2 3.57Å; F65-Y78 HydrophobicContact CZ-CE2 3.57Å; F65-Y78 HydrophobicContact CZ-CG 4.11Å; L74-Y78 HydrophobicContact CD1-CE2 4.05Å; L74-Y78 WeakPolarHBondContact O-CD2 3.34Å; A75-Y78 PolarHBondContact O-N 3.45Å; K76-Y78 PolarHBondContact O-N 3.44Å; Y78-Y80 VanDerWaalsContact C-N 3.32Å; Y78-Y80 PolarHBondContact O-N 3.48Å; Y78-Y81 AromaticContact CD1-CD1 3.94Å; Y78-Y81 HydrophobicContact CD1-CD1 3.94Å; Y78-Y81 AromaticContact CD1-CG 3.95Å; Y78-Y81 HydrophobicContact CD1-CG 3.95Å; Y78-Y81 HydrophobicContact CE1-CD1 4.27Å; Y78-Y81 HydrophobicContact CE1-CE1 4.44Å; Y78-Y81 HydrophobicContact CE1-CG 4.34Å; Y78-Y388 WeakPolarHBondContact O-CD1 3.45Å
79Q96.7Very high87.2Confident30 Ų3071.7 Ų71.714%0.1434%0.342CS..SBendtrans-63.1-38.3-177.7-178.8168.7-40.900113.1K76 F387 Y388K76-Q79 WeakPolarHBondContact O-CB 3.36Å; K76-Q79 PolarHBondContact O-N 3.34Å; K76-Q79 VanDerWaalsContact O-N 3.16Å; Q79-F387 HydrophobicContact CG-CD2 3.98Å; Q79-F387 HydrophobicContact CG-CE2 3.68Å; Q79-Y388 HydrophobicContact CB-CD2 4.33Å; Q79-Y388 HydrophobicContact CB-CE1 4.11Å; Q79-Y388 HydrophobicContact CB-CE2 3.73Å; Q79-Y388 HydrophobicContact CG-CD2 4.08Å; Q79-Y388 HydrophobicContact CG-CE2 3.55Å; Q79-Y388 PolarHBondContact O-N 3.37Å
80Y94.9Very high86.4Confident165 Ų16569 Ų6965%0.64733%0.329SS*.SBendtrans-125.513.5178.8-58.3-64.2000112.1Y78 S82 G386 F387Y78-Y80 VanDerWaalsContact C-N 3.32Å; Y78-Y80 PolarHBondContact O-N 3.48Å; Y80-S82 PolarHBondContact O-N 3.3Å; Y80-G386 VanDerWaalsContact CD1-O 3.29Å; Y80-G386 WeakPolarHBondContact CD1-O 3.25Å; Y80-F387 HydrophobicContact CE1-CD2 4.4Å
81Y91.4Very high86Confident60 Ų6069 Ų6924%0.23533%0.327CS..  trans-64.5118.1174.6178.1-91.7000108.8E57 I61 Y78 T83 H86E57-Y81 PolarHBondContact OE1-OH 2.88Å; I61-Y81 HydrophobicContact CD1-CE1 4.13Å; Y78-Y81 AromaticContact CD1-CD1 3.94Å; Y78-Y81 HydrophobicContact CD1-CD1 3.94Å; Y78-Y81 AromaticContact CD1-CG 3.95Å; Y78-Y81 HydrophobicContact CD1-CG 3.95Å; Y78-Y81 HydrophobicContact CE1-CD1 4.27Å; Y78-Y81 HydrophobicContact CE1-CE1 4.44Å; Y78-Y81 HydrophobicContact CE1-CG 4.34Å; Y81-T83 HydrophobicContact CD1-CG2 3.89Å; Y81-T83 HydrophobicContact CE1-CG2 3.85Å; Y81-T83 PolarHBondContact O-N 2.97Å; Y81-H86 AromaticContact CE1-CD2 4Å; Y81-H86 AromaticContact CZ-NE2 3.78Å; Y81-H86 PolarHBondContact OH-CD2 3.26Å; Y81-H86 PolarHBondContact OH-NE2 2.96Å
82S84Confident85.6Confident68 Ų6871.6 Ų71.648%0.47633%0.334SS..  trans-82.1116177.8179.20000109.1Y80 K84Y80-S82 PolarHBondContact O-N 3.3Å; S82-K84 VanDerWaalsContact OG-CB 3.32Å; S82-K84 WeakPolarHBondContact OG-CB 3.39Å; S82-K84 PolarHBondContact OG-N 2.98Å
83T79.9Confident85.4Confident1 Ų170.6 Ų70.61%0.00633%0.334CS..  trans-85.54.3168.749.40000112.1L58 Y81 Q85 H86 L87 D393L58-T83 HydrophobicContact CD1-CG2 4.01Å; Y81-T83 HydrophobicContact CD1-CG2 3.89Å; Y81-T83 HydrophobicContact CE1-CG2 3.85Å; Y81-T83 PolarHBondContact O-N 2.97Å; T83-Q85 PolarHBondContact O-N 3.43Å; T83-H86 CarbonylContact O-C 3.51Å; T83-H86 VanDerWaalsContact O-CA 3.28Å; T83-H86 WeakPolarHBondContact O-CA 3.38Å; T83-H86 VanDerWaalsContact O-CB 3.27Å; T83-H86 WeakPolarHBondContact O-CB 3.23Å; T83-H86 PolarHBondContact O-N 3.42Å; T83-L87 WeakPolarHBondContact O-CG 3.13Å; T83-L87 PolarHBondContact O-N 2.84Å; T83-D393 WeakPolarHBondContact CB-OD2 3.45Å; T83-D393 VanDerWaalsContact CG2-OD2 3.25Å; T83-D393 WeakPolarHBondContact CG2-OD2 3.35Å; T83-D393 PolarHBondContact OG1-OD2 3.01Å
84K77.1Confident85.1Confident124 Ų12468.5 Ų68.554%0.53932%0.318SS..THydrogen-bonded Turntrans-55.6-33.1-172-163.1-177.4-176.7177.70113.3S82 H86 L87S82-K84 VanDerWaalsContact OG-CB 3.32Å; S82-K84 WeakPolarHBondContact OG-CB 3.39Å; S82-K84 PolarHBondContact OG-N 2.98Å; K84-H86 VanDerWaalsContact C-N 3.3Å; K84-L87 PolarHBondContact O-N 3.5Å
85Q72Confident84.8Confident182 Ų18272.4 Ų72.485%0.8534%0.339SS*.THydrogen-bonded Turntrans-73-25.8176.7-65174.7-1.100112.4T83T83-Q85 PolarHBondContact O-N 3.43Å
86H68.7Low84.3Confident17 Ų1774 Ų748%0.07935%0.348CS..THydrogen-bonded Turntrans-90-11.7176.9-52-47.1000113.3D55 E57 L58 Y81 T83 K84 L88D55-H86 HydrophobicContact CB-CB 4.01Å; D55-H86 IonicContact OD1-CE1 2.73Å; D55-H86 IonicContact OD1-ND1 2.75Å; D55-H86 IonicContact OD2-ND1 3.35Å; E57-H86 IonicContact OE2-CE1 2.65Å; E57-H86 PolarHBondContact OE2-CE1 3.33Å; E57-H86 VanDerWaalsContact OE2-CE1 3.29Å; E57-H86 IonicContact OE2-NE2 3.73Å; L58-H86 HydrophobicContact CB-CB 3.86Å; L58-H86 HydrophobicContact CD2-CB 3.84Å; L58-H86 HydrophobicContact CG-CB 4.31Å; Y81-H86 AromaticContact CE1-CD2 4Å; Y81-H86 AromaticContact CZ-NE2 3.78Å; Y81-H86 PolarHBondContact OH-CD2 3.26Å; Y81-H86 PolarHBondContact OH-NE2 2.96Å; T83-H86 CarbonylContact O-C 3.51Å; T83-H86 VanDerWaalsContact O-CA 3.28Å; T83-H86 WeakPolarHBondContact O-CA 3.38Å; T83-H86 VanDerWaalsContact O-CB 3.27Å; T83-H86 WeakPolarHBondContact O-CB 3.23Å; T83-H86 PolarHBondContact O-N 3.42Å; K84-H86 VanDerWaalsContact C-N 3.3Å; H86-L88 PolarHBondContact O-N 3.4Å
87L66.5Low84Confident29 Ų2968.4 Ų68.415%0.15233%0.326CS..  trans-70.8118.8-175.2-76.5-177.2000110.9T83 K84 Y89 Q90 E130 D393T83-L87 WeakPolarHBondContact O-CG 3.13Å; T83-L87 PolarHBondContact O-N 2.84Å; K84-L87 PolarHBondContact O-N 3.5Å; L87-Y89 PolarHBondContact O-N 2.88Å; L87-Q90 HydrophobicContact CB-CG 4.14Å; L87-E130 WeakPolarHBondContact CD1-OE1 3.36Å; L87-D393 HydrophobicContact CD2-CB 4.24Å; L87-D393 WeakPolarHBondContact CD2-OD1 3.49Å
88L62.2Low83.6Confident32 Ų3268 Ų6817%0.16833%0.327CS..  trans-64125.4173.4-88-167.4000113.2N53 I54 H86 Q90 R137N53-L88 HydrophobicContact CB-CD2 3.59Å; N53-L88 WeakPolarHBondContact O-CD2 3.32Å; I54-L88 HydrophobicContact CB-CD1 4.36Å; I54-L88 HydrophobicContact CD1-CD1 4.11Å; I54-L88 HydrophobicContact CG1-CD1 3.25Å; I54-L88 HydrophobicContact CG1-CG 3.83Å; H86-L88 PolarHBondContact O-N 3.4Å; L88-Q90 PolarHBondContact O-N 2.93Å; L88-R137 PolarHBondContact O-NH1 3.21Å
89Y71.7Confident83Confident58 Ų5870.6 Ų70.623%0.22734%0.344CS..SBendtrans47.269160.2-52.7-62.1000111.5N53 L87 I99 F100 P103 R137N53-Y89 HydrophobicContact CB-CE2 3.93Å; N53-Y89 VanDerWaalsContact CB-OH 3.24Å; N53-Y89 WeakPolarHBondContact CB-OH 3.37Å; N53-Y89 PolarHBondContact ND2-OH 2.86Å; N53-Y89 VanDerWaalsContact ND2-OH 3.16Å; N53-Y89 PolarHBondContact OD1-OH 3.14Å; L87-Y89 PolarHBondContact O-N 2.88Å; Y89-I99 VanDerWaalsContact CB-O 3.32Å; Y89-I99 WeakPolarHBondContact CB-O 3.42Å; Y89-I99 HydrophobicContact CD1-CG2 3.52Å; Y89-I99 WeakPolarHBondContact CD1-O 3.48Å; Y89-I99 HydrophobicContact CE1-CG2 4.22Å; Y89-I99 HydrophobicContact CG-CG2 4.38Å; Y89-I99 VanDerWaalsContact CG-O 3.29Å; Y89-F100 WeakPolarHBondContact O-CD2 3.25Å; Y89-P103 HydrophobicContact CD1-CG 4.2Å; Y89-P103 HydrophobicContact CD2-CB 3.7Å; Y89-P103 HydrophobicContact CD2-CG 3.63Å; Y89-P103 HydrophobicContact CE1-CG 3.94Å; Y89-P103 HydrophobicContact CE2-CB 3.27Å; Y89-P103 HydrophobicContact CE2-CG 3.35Å; Y89-P103 HydrophobicContact CG-CG 4.03Å; Y89-P103 VanDerWaalsContact CZ-CG 3.49Å; Y89-R137 PolarHBondContact O-NH1 3.45Å; Y89-R137 VanDerWaalsContact O-NH1 3.15Å
90Q80.4Confident82.5Confident35 Ų3569.2 Ų69.216%0.16434%0.337CS..  trans-71.2131.4175.6-66.2-175.5-12.200109.7L87 L88 K92 E130L87-Q90 HydrophobicContact CB-CG 4.14Å; L88-Q90 PolarHBondContact O-N 2.93Å; Q90-K92 PolarHBondContact O-N 3.24Å; Q90-E130 PolarHBondContact NE2-OE1 3.37Å
91W88.3Confident82Confident13 Ų1363.3 Ų63.35%0.04931%0.313CS..  trans-72.5121.6166.1-17487.7000108.9S93 F100 I129 A133 S161 D164 L165 C168W91-S93 PolarHBondContact NE1-O 3.31Å; W91-S93 VanDerWaalsContact NE1-O 3.09Å; W91-F100 HydrophobicContact CB-CD1 4.3Å; W91-F100 HydrophobicContact CB-CD2 3.6Å; W91-F100 HydrophobicContact CB-CE1 4.49Å; W91-F100 HydrophobicContact CB-CE2 3.85Å; W91-F100 HydrophobicContact CB-CG 3.88Å; W91-F100 HydrophobicContact CB-CZ 4.3Å; W91-F100 HydrophobicContact CG-CG 4.43Å; W91-I129 HydrophobicContact CE3-CG1 3.78Å; W91-I129 HydrophobicContact CH2-CG1 4.16Å; W91-I129 HydrophobicContact CZ3-CB 4.46Å; W91-I129 HydrophobicContact CZ3-CD1 4.22Å; W91-I129 HydrophobicContact CZ3-CG1 3.33Å; W91-I129 HydrophobicContact CZ3-CG2 4.27Å; W91-A133 HydrophobicContact CB-CB 3.81Å; W91-A133 HydrophobicContact CG-CB 4.37Å; W91-S161 WeakPolarHBondContact CH2-O 3.37Å; W91-D164 HydrophobicContact CZ2-CB 4.23Å; W91-L165 HydrophobicContact CB-CD1 4.44Å; W91-L165 HydrophobicContact CD2-CB 4.44Å; W91-L165 HydrophobicContact CD2-CD1 3.83Å; W91-L165 HydrophobicContact CE3-CD1 4.49Å; W91-L165 HydrophobicContact CG-CD1 3.78Å; W91-L165 HydrophobicContact CH2-CB 4.18Å; W91-L165 HydrophobicContact CZ2-CB 3.86Å; W91-C168 PolarHBondContact NE1-SG 2.86Å
92K88.4Confident81.3Confident158 Ų15865.6 Ų65.669%0.68733%0.326SS*.  trans-113.6-35.7172.9-52.8174.6-178.81720111.3Q90 D96Q90-K92 PolarHBondContact O-N 3.24Å; K92-D96 WeakPolarHBondContact CA-OD2 3.44Å; K92-D96 VanDerWaalsContact CB-OD2 3.23Å; K92-D96 WeakPolarHBondContact CB-OD2 3.47Å; K92-D96 PolarHBondContact N-OD2 3.44Å
93S90.4Very high80.7Confident42 Ų4263.7 Ų63.729%0.29431%0.312SS..SBendtrans-151.2173-179.272.20000112.1W91 N95 D96W91-S93 PolarHBondContact NE1-O 3.31Å; W91-S93 VanDerWaalsContact NE1-O 3.09Å; S93-N95 PolarHBondContact O-N 2.99Å; S93-N95 VanDerWaalsContact O-N 3.13Å; S93-N95 PolarHBondContact OG-N 3.05Å; S93-D96 PolarHBondContact N-OD2 2.65Å; S93-D96 WeakPolarHBondContact O-CB 3.3Å; S93-D96 PolarHBondContact O-N 3.5Å; S93-D96 PolarHBondContact OG-OD2 3.48Å
94I90.8Very high80.6Confident63 Ų6364.3 Ų64.332%0.32332%0.316SS..G310 helixtrans-54.9-28.1173.2-16969.1000113.2D96 C97 D164 K167I94-D96 PolarHBondContact O-N 3.47Å; I94-C97 PolarHBondContact O-N 3.09Å; I94-C97 PolarHBondContact O-SG 3.25Å; I94-D164 HydrophobicContact CB-CB 4.22Å; I94-D164 HydrophobicContact CD1-CB 4.24Å; I94-D164 WeakPolarHBondContact CD1-O 3.34Å; I94-K167 HydrophobicContact CD1-CB 3.7Å; I94-K167 HydrophobicContact CD1-CD 4.13Å
95N91Very high80.7Confident139 Ų13960.3 Ų60.374%0.74330%0.3SS*.G310 helixtrans-70.9-17.1179.9-62.7-29.9000112.5S93S93-N95 PolarHBondContact O-N 2.99Å; S93-N95 VanDerWaalsContact O-N 3.13Å; S93-N95 PolarHBondContact OG-N 3.05Å
96D87.8Confident80.9Confident32 Ų3253.7 Ų53.717%0.17127%0.267CS..G310 helixtrans-89.21.2-178.8-54.4-47.4000113K92 S93 I94 N98 I99 F100K92-D96 WeakPolarHBondContact CA-OD2 3.44Å; K92-D96 VanDerWaalsContact CB-OD2 3.23Å; K92-D96 WeakPolarHBondContact CB-OD2 3.47Å; K92-D96 PolarHBondContact N-OD2 3.44Å; S93-D96 PolarHBondContact N-OD2 2.65Å; S93-D96 WeakPolarHBondContact O-CB 3.3Å; S93-D96 PolarHBondContact O-N 3.5Å; S93-D96 PolarHBondContact OG-OD2 3.48Å; I94-D96 PolarHBondContact O-N 3.47Å; D96-N98 VanDerWaalsContact C-N 3.29Å; D96-N98 PolarHBondContact O-N 3.34Å; D96-I99 PolarHBondContact O-N 3.42Å; D96-I99 VanDerWaalsContact O-N 3.15Å; D96-F100 WeakPolarHBondContact O-CB 3.48Å; D96-F100 PolarHBondContact O-N 3.38Å
97C90.4Very high81.5Confident20 Ų2052.9 Ų52.914%0.13526%0.264CS..Hα-helixtrans-53-43.6-172.9-65.90000113.4I94 F100 R101 C168I94-C97 PolarHBondContact O-N 3.09Å; I94-C97 PolarHBondContact O-SG 3.25Å; C97-F100 PolarHBondContact O-N 3.46Å; C97-R101 WeakPolarHBondContact O-CB 2.81Å; C97-R101 PolarHBondContact O-N 3.34Å; C97-C168 VanDerWaalsContact CA-SG 3.51Å; C97-C168 HydrophobicContact CB-CB 3.6Å; C97-C168 WeakPolarHBondContact CB-SG 3.23Å; C97-C168 WeakPolarHBondContact SG-CA 3.33Å; C97-C168 WeakPolarHBondContact SG-CB 3.42Å; C97-C168 CovalentContact SG-SG 2.03Å; C97-C168 PolarHBondContact SG-SG 3.46Å
98N86.3Confident82.2Confident117 Ų11753.3 Ų53.363%0.62627%0.266SS*.Hα-helixtrans-66.6-48.8-179.5-66.9-13.8000110.8D96 F100 R101 E102D96-N98 VanDerWaalsContact C-N 3.29Å; D96-N98 PolarHBondContact O-N 3.34Å; N98-F100 PolarHBondContact O-N 2.75Å; N98-R101 PolarHBondContact O-N 3.15Å; N98-E102 HydrophobicContact CB-CG 4.38Å; N98-E102 WeakPolarHBondContact O-CB 3.41Å; N98-E102 WeakPolarHBondContact O-CG 3.41Å; N98-E102 PolarHBondContact O-N 3.37Å
99I83.8Confident83Confident98 Ų9854.4 Ų54.450%0.50327%0.268SS..Hα-helixtrans-60.7-38.2177.7-63.5172.7000110.3Y89 D96 P103Y89-I99 VanDerWaalsContact CB-O 3.32Å; Y89-I99 WeakPolarHBondContact CB-O 3.42Å; Y89-I99 HydrophobicContact CD1-CG2 3.52Å; Y89-I99 WeakPolarHBondContact CD1-O 3.48Å; Y89-I99 HydrophobicContact CE1-CG2 4.22Å; Y89-I99 HydrophobicContact CG-CG2 4.38Å; Y89-I99 VanDerWaalsContact CG-O 3.29Å; D96-I99 PolarHBondContact O-N 3.42Å; D96-I99 VanDerWaalsContact O-N 3.15Å; I99-P103 VanDerWaalsContact O-CD 3.25Å; I99-P103 WeakPolarHBondContact O-CD 3.35Å; I99-P103 WeakPolarHBondContact O-CG 3.19Å
100F86.2Confident83.2Confident1 Ų157.3 Ų57.30%0.00429%0.286CS..Hα-helixtrans-71.6-39.6-178-179.8-112.8000113.8Y89 W91 D96 C97 N98 A133 R137 L165 F169Y89-F100 WeakPolarHBondContact O-CD2 3.25Å; W91-F100 HydrophobicContact CB-CD1 4.3Å; W91-F100 HydrophobicContact CB-CD2 3.6Å; W91-F100 HydrophobicContact CB-CE1 4.49Å; W91-F100 HydrophobicContact CB-CE2 3.85Å; W91-F100 HydrophobicContact CB-CG 3.88Å; W91-F100 HydrophobicContact CB-CZ 4.3Å; W91-F100 HydrophobicContact CG-CG 4.43Å; D96-F100 WeakPolarHBondContact O-CB 3.48Å; D96-F100 PolarHBondContact O-N 3.38Å; C97-F100 PolarHBondContact O-N 3.46Å; N98-F100 PolarHBondContact O-N 2.75Å; F100-A133 HydrophobicContact CE1-CB 4.29Å; F100-A133 HydrophobicContact CE2-CB 4.09Å; F100-A133 HydrophobicContact CZ-CB 3.66Å; F100-A133 WeakPolarHBondContact CZ-O 3.4Å; F100-R137 HydrophobicContact CE1-CB 4.02Å; F100-R137 HydrophobicContact CE1-CG 4.38Å; F100-R137 HydrophobicContact CZ-CB 3.65Å; F100-R137 HydrophobicContact CZ-CG 4.12Å; F100-R137 WeakPolarHBondContact O-CD 3.48Å; F100-L165 HydrophobicContact CE1-CD1 4.31Å; F100-F169 HydrophobicContact CE1-CE2 4.23Å; F100-F169 AromaticContact CE1-CZ 3.76Å; F100-F169 HydrophobicContact CE1-CZ 3.76Å
101R84.3Confident83.5Confident40 Ų4056.3 Ų56.315%0.15128%0.282CS..Hα-helixtrans-102.6-47.1-171.2-71.5-166.563.8-162.4-2.7115C97 N98 P103 L104 N105 Y140 C168 F169C97-R101 WeakPolarHBondContact O-CB 2.81Å; C97-R101 PolarHBondContact O-N 3.34Å; N98-R101 PolarHBondContact O-N 3.15Å; R101-P103 VanDerWaalsContact C-N 3.28Å; R101-P103 VanDerWaalsContact O-N 3.17Å; R101-L104 PolarHBondContact O-N 2.98Å; R101-N105 PolarHBondContact O-N 3.02Å; R101-N105 PolarHBondContact O-OD1 3.22Å; R101-Y140 VanDerWaalsContact NH2-CE1 3.33Å; R101-C168 WeakPolarHBondContact CD-O 3.3Å; R101-C168 PolarHBondContact NH1-O 3.16Å; R101-F169 PolarHBondContact NH1-O 2.74Å
102E77.5Confident83.6Confident109 Ų10963.5 Ų63.551%0.50931%0.314SS..Hα-helixtrans-50.9-42.5-171.9-70.3-57.813400113.2N98 L104 N105N98-E102 HydrophobicContact CB-CG 4.38Å; N98-E102 WeakPolarHBondContact O-CB 3.41Å; N98-E102 WeakPolarHBondContact O-CG 3.41Å; N98-E102 PolarHBondContact O-N 3.37Å; E102-L104 PolarHBondContact O-N 3.34Å; E102-N105 PolarHBondContact O-N 3.33Å; E102-N105 VanDerWaalsContact O-N 3.11Å; E102-N105 PolarHBondContact OE1-ND2 3.16Å; E102-N105 PolarHBondContact OE2-ND2 3.16Å
103P71.6Confident83.9Confident27 Ų2757.6 Ų57.618%0.17529%0.289CS..Hα-helixtrans-63.6-14.6-179.3-24.436.7000114.9Y89 I99 R101 Y106Y89-P103 HydrophobicContact CD1-CG 4.2Å; Y89-P103 HydrophobicContact CD2-CB 3.7Å; Y89-P103 HydrophobicContact CD2-CG 3.63Å; Y89-P103 HydrophobicContact CE1-CG 3.94Å; Y89-P103 HydrophobicContact CE2-CB 3.27Å; Y89-P103 HydrophobicContact CE2-CG 3.35Å; Y89-P103 HydrophobicContact CG-CG 4.03Å; Y89-P103 VanDerWaalsContact CZ-CG 3.49Å; I99-P103 VanDerWaalsContact O-CD 3.25Å; I99-P103 WeakPolarHBondContact O-CD 3.35Å; I99-P103 WeakPolarHBondContact O-CG 3.19Å; R101-P103 VanDerWaalsContact C-N 3.28Å; R101-P103 VanDerWaalsContact O-N 3.17Å; P103-Y106 WeakPolarHBondContact O-CE1 3.5Å
104L77.5Confident84.1Confident15 Ų1555.9 Ų55.98%0.07928%0.276CS..Hα-helixtrans-118.2-3.5176.2-58.5-176.3000112.7R101 E102 Y106 L107 R137 L400R101-L104 PolarHBondContact O-N 2.98Å; E102-L104 PolarHBondContact O-N 3.34Å; L104-Y106 PolarHBondContact O-N 3.44Å; L104-L107 HydrophobicContact CB-CD1 4.35Å; L104-L107 HydrophobicContact CD2-CD1 3.8Å; L104-L107 VanDerWaalsContact O-CB 3.3Å; L104-L107 WeakPolarHBondContact O-CB 2.9Å; L104-L107 PolarHBondContact O-N 3.12Å; L104-R137 HydrophobicContact CD1-CG 3.78Å; L104-L400 HydrophobicContact CD1-CD1 4.21Å; L104-L400 HydrophobicContact CD1-CD2 3.96Å; L104-L400 HydrophobicContact CD2-CD1 4.34Å; L104-L400 HydrophobicContact CD2-CD2 4.37Å
105N80Confident84.3Confident40 Ų4056.1 Ų56.121%0.21428%0.278CS..Hα-helixtrans-60.3-33.1178.9-83.2-14.3000111.7R101 E102 L107 L108R101-N105 PolarHBondContact O-N 3.02Å; R101-N105 PolarHBondContact O-OD1 3.22Å; E102-N105 PolarHBondContact O-N 3.33Å; E102-N105 VanDerWaalsContact O-N 3.11Å; E102-N105 PolarHBondContact OE1-ND2 3.16Å; E102-N105 PolarHBondContact OE2-ND2 3.16Å; N105-L107 PolarHBondContact O-N 3.26Å; N105-L108 WeakPolarHBondContact O-CA 3Å; N105-L108 VanDerWaalsContact O-CB 3.23Å; N105-L108 WeakPolarHBondContact O-CB 3.24Å; N105-L108 PolarHBondContact O-N 3.14Å
106Y75.7Confident84.5Confident42 Ų4254.3 Ų54.317%0.16527%0.268CS..THydrogen-bonded Turntrans-66.4-19.9174.774.4-98.3000112.4L49 I50 P103 L104 L108 M404 R407L49-Y106 HydrophobicContact CB-CE1 4.17Å; I50-Y106 WeakPolarHBondContact CG1-OH 3.4Å; I50-Y106 PolarHBondContact N-OH 3.05Å; P103-Y106 WeakPolarHBondContact O-CE1 3.5Å; L104-Y106 PolarHBondContact O-N 3.44Å; Y106-L108 PolarHBondContact O-N 3.09Å; Y106-M404 HydrophobicContact CD2-CE 4.34Å; Y106-M404 HydrophobicContact CE2-CE 3.31Å; Y106-M404 HydrophobicContact CE2-SD 4.33Å; Y106-R407 WeakPolarHBondContact O-CD 3.35Å; Y106-R407 PolarHBondContact O-NE 3.26Å; Y106-R407 VanDerWaalsContact O-NE 3.12Å; Y106-R407 PolarHBondContact O-NH1 3.16Å
107L81.2Confident85Confident0 Ų054.7 Ų54.70%027%0.267CS..THydrogen-bonded Turntrans-73.5-17.3171.6-62.5175.3000112.3I50 L104 N105 W109 L400 M403 M404I50-L107 HydrophobicContact CD1-CD2 4.24Å; L104-L107 HydrophobicContact CB-CD1 4.35Å; L104-L107 HydrophobicContact CD2-CD1 3.8Å; L104-L107 VanDerWaalsContact O-CB 3.3Å; L104-L107 WeakPolarHBondContact O-CB 2.9Å; L104-L107 PolarHBondContact O-N 3.12Å; N105-L107 PolarHBondContact O-N 3.26Å; L107-W109 VanDerWaalsContact C-N 3.27Å; L107-W109 PolarHBondContact O-N 2.67Å; L107-L400 HydrophobicContact CD1-CB 4.48Å; L107-L400 HydrophobicContact CD1-CD2 3.79Å; L107-M403 HydrophobicContact CB-CE 3.75Å; L107-M403 HydrophobicContact CD1-CE 4.19Å; L107-M404 HydrophobicContact CD2-CB 3.92Å; L107-M404 HydrophobicContact CD2-CE 3.99Å; L107-M404 HydrophobicContact CD2-SD 4.21Å
108L81.5Confident85.4Confident39 Ų3954.5 Ų54.520%0.20427%0.266CS..  trans-79.778.2173.1-49.7178.3000108.6N105 Y106 Y140N105-L108 WeakPolarHBondContact O-CA 3Å; N105-L108 VanDerWaalsContact O-CB 3.23Å; N105-L108 WeakPolarHBondContact O-CB 3.24Å; N105-L108 PolarHBondContact O-N 3.14Å; Y106-L108 PolarHBondContact O-N 3.09Å; L108-Y140 HydrophobicContact CD1-CD1 4.09Å; L108-Y140 HydrophobicContact CD1-CE1 4.41Å; L108-Y140 VanDerWaalsContact CD2-O 3.27Å; L108-Y140 WeakPolarHBondContact CD2-O 3.25Å
109W79.2Confident85.9Confident54 Ų5449 Ų4921%0.20524%0.236CC..  trans-88.9151.4175.572.7-69.1000111L107 N111 W227 E406 R407L107-W109 VanDerWaalsContact C-N 3.27Å; L107-W109 PolarHBondContact O-N 2.67Å; W109-N111 HydrophobicContact CD2-CB 4.39Å; W109-N111 HydrophobicContact CE3-CB 4.36Å; W109-N111 HydrophobicContact CH2-CB 3.99Å; W109-N111 WeakPolarHBondContact CH2-ND2 3.49Å; W109-N111 HydrophobicContact CZ2-CB 4Å; W109-N111 WeakPolarHBondContact CZ2-ND2 3.36Å; W109-N111 HydrophobicContact CZ3-CB 4.17Å; W109-N111 PolarHBondContact O-N 3.48Å; W109-W227 HydrophobicContact CH2-CH2 4.31Å; W109-W227 HydrophobicContact CH2-CZ3 4.09Å; W109-W227 AromaticContact CZ2-CE3 3.82Å; W109-W227 HydrophobicContact CZ2-CE3 3.82Å; W109-W227 HydrophobicContact CZ2-CH2 4.38Å; W109-W227 AromaticContact CZ2-CZ3 3.74Å; W109-W227 HydrophobicContact CZ2-CZ3 3.74Å; W109-E406 HydrophobicContact CZ2-CB 4.47Å; W109-R407 HydrophobicContact CB-CG 4.14Å; W109-R407 HydrophobicContact CG-CB 4.14Å; W109-R407 HydrophobicContact CG-CG 4.25Å
110I75.3Confident86.7Confident119 Ų11944.3 Ų44.361%0.6121%0.212SC*.  trans-83.898.8-179.6-58.3175.4000108.5
111N85.3Confident87.3Confident15 Ų1544.2 Ų44.28%0.0821%0.212CC..  trans-95.5123.6167.6-176.3-32.2000109.6W109 E113 E114 L115 W227W109-N111 HydrophobicContact CD2-CB 4.39Å; W109-N111 HydrophobicContact CE3-CB 4.36Å; W109-N111 HydrophobicContact CH2-CB 3.99Å; W109-N111 WeakPolarHBondContact CH2-ND2 3.49Å; W109-N111 HydrophobicContact CZ2-CB 4Å; W109-N111 WeakPolarHBondContact CZ2-ND2 3.36Å; W109-N111 HydrophobicContact CZ3-CB 4.17Å; W109-N111 PolarHBondContact O-N 3.48Å; N111-E113 PolarHBondContact O-N 3.49Å; N111-E113 VanDerWaalsContact OD1-CB 3.31Å; N111-E113 WeakPolarHBondContact OD1-CB 3.33Å; N111-E113 PolarHBondContact OD1-N 2.9Å; N111-E114 HydrophobicContact CB-CB 4.15Å; N111-E114 HydrophobicContact CB-CG 3.82Å; N111-E114 WeakPolarHBondContact CB-OE2 3.48Å; N111-E114 PolarHBondContact O-N 3.35Å; N111-L115 PolarHBondContact O-N 3.37Å; N111-W227 WeakPolarHBondContact ND2-CZ2 3.14Å; N111-W227 PolarHBondContact ND2-NE1 2.77Å
112K92.1Very high87.9Confident164 Ų16442.4 Ų42.471%0.71321%0.205SC*.Hα-helixtrans-57.5-32.1180-174.6175-1781800112.4N116K112-N116 WeakPolarHBondContact CG-ND2 3.23Å; K112-N116 WeakPolarHBondContact O-CB 3.45Å; K112-N116 PolarHBondContact O-N 3.38Å; K112-N116 PolarHBondContact O-ND2 3.13Å
113E94.7Very high88.9Confident34 Ų3437.3 Ų37.316%0.15918%0.181CC..Hα-helixtrans-70.9-40.9176.5-171.2169-148.300111.9N111 N116 Y117 W227 I230 K231 K234N111-E113 PolarHBondContact O-N 3.49Å; N111-E113 VanDerWaalsContact OD1-CB 3.31Å; N111-E113 WeakPolarHBondContact OD1-CB 3.33Å; N111-E113 PolarHBondContact OD1-N 2.9Å; E113-N116 PolarHBondContact O-N 2.93Å; E113-Y117 WeakPolarHBondContact O-CB 3.38Å; E113-Y117 PolarHBondContact O-N 3.28Å; E113-Y117 VanDerWaalsContact O-N 3.09Å; E113-W227 PolarHBondContact OE2-NE1 3.29Å; E113-I230 HydrophobicContact CG-CG2 4.01Å; E113-K231 VanDerWaalsContact CD-NZ 3.25Å; E113-K231 IonicContact OE1-NZ 3.04Å; E113-K231 PolarHBondContact OE1-NZ 2.98Å; E113-K231 WeakPolarHBondContact OE2-CE 2.81Å; E113-K231 IonicContact OE2-NZ 2.68Å; E113-K231 PolarHBondContact OE2-NZ 3.21Å; E113-K234 HydrophobicContact CG-CD 4.43Å; E113-K234 IonicContact OE1-NZ 2.87Å; E113-K234 PolarHBondContact OE1-NZ 2.86Å
114E94.4Very high90.2Very high6 Ų637 Ų373%0.02818%0.179CC..Hα-helixtrans-64.6-43.5174.8-60.4-174.4105.900112N111 N116 Y117 R141 N226 W227 I230N111-E114 HydrophobicContact CB-CB 4.15Å; N111-E114 HydrophobicContact CB-CG 3.82Å; N111-E114 WeakPolarHBondContact CB-OE2 3.48Å; N111-E114 PolarHBondContact O-N 3.35Å; E114-N116 VanDerWaalsContact C-N 3.28Å; E114-N116 PolarHBondContact O-N 3.36Å; E114-Y117 CarbonylContact O-C 3.48Å; E114-Y117 PolarHBondContact O-N 3.13Å; E114-R141 IonicContact OE1-NE 3.71Å; E114-R141 PolarHBondContact OE1-NE 2.9Å; E114-N226 VanDerWaalsContact OE1-CB 3.29Å; E114-N226 WeakPolarHBondContact OE1-CB 3.38Å; E114-N226 PolarHBondContact OE1-ND2 3.04Å; E114-W227 HydrophobicContact CG-CB 4.23Å; E114-W227 HydrophobicContact CG-CG 4.45Å; E114-W227 PolarHBondContact OE1-N 2.88Å; E114-I230 HydrophobicContact CB-CD1 3.79Å; E114-I230 HydrophobicContact CG-CD1 3.6Å
115L93.9Very high91.2Very high68 Ų6836.3 Ų36.336%0.35618%0.176SC..Hα-helixtrans-57.9-40.3176.3178.862.6000112.4N111 Y143N111-L115 PolarHBondContact O-N 3.37Å; L115-Y143 HydrophobicContact CB-CD2 4.48Å; L115-Y143 HydrophobicContact CD1-CD1 3.27Å; L115-Y143 HydrophobicContact CD1-CD2 3.86Å; L115-Y143 HydrophobicContact CD1-CE1 3.36Å; L115-Y143 HydrophobicContact CD1-CE2 3.93Å; L115-Y143 HydrophobicContact CD1-CG 3.53Å
116N96.4Very high91.9Very high101 Ų10139 Ų3954%0.5418%0.183SC..Hα-helixtrans-89-3.5-176.6-69.4-48.3000114K112 E113 E114K112-N116 WeakPolarHBondContact CG-ND2 3.23Å; K112-N116 WeakPolarHBondContact O-CB 3.45Å; K112-N116 PolarHBondContact O-N 3.38Å; K112-N116 PolarHBondContact O-ND2 3.13Å; E113-N116 PolarHBondContact O-N 2.93Å; E114-N116 VanDerWaalsContact C-N 3.28Å; E114-N116 PolarHBondContact O-N 3.36Å
117Y97.6Very high92.8Very high40 Ų4040.7 Ų40.716%0.15719%0.193CC..SBendtrans-133.563.5177.9-152.8-85.9000112.2E113 E114 L119 K211 Y212 I230 L233 K234E113-Y117 WeakPolarHBondContact O-CB 3.38Å; E113-Y117 PolarHBondContact O-N 3.28Å; E113-Y117 VanDerWaalsContact O-N 3.09Å; E114-Y117 CarbonylContact O-C 3.48Å; E114-Y117 PolarHBondContact O-N 3.13Å; Y117-L119 HydrophobicContact CD1-CD2 3.94Å; Y117-L119 HydrophobicContact CE1-CD2 4.1Å; Y117-L119 PolarHBondContact O-N 3.25Å; Y117-K211 HydrophobicContact CD1-CB 3.89Å; Y117-K211 HydrophobicContact CD1-CG 4.01Å; Y117-K211 HydrophobicContact CD2-CB 4.31Å; Y117-K211 HydrophobicContact CD2-CG 3.84Å; Y117-K211 HydrophobicContact CE1-CB 3.5Å; Y117-K211 HydrophobicContact CE1-CG 4.06Å; Y117-K211 HydrophobicContact CE2-CB 3.95Å; Y117-K211 HydrophobicContact CE2-CG 3.87Å; Y117-K211 HydrophobicContact CG-CB 4.29Å; Y117-K211 HydrophobicContact CG-CG 3.92Å; Y117-Y212 HydrophobicContact CE1-CD2 4.16Å; Y117-Y212 WeakPolarHBondContact OH-CD2 3.38Å; Y117-Y212 WeakPolarHBondContact OH-CE2 3.08Å; Y117-I230 HydrophobicContact CD1-CB 4.38Å; Y117-I230 HydrophobicContact CD1-CG1 4.06Å; Y117-I230 HydrophobicContact CD1-CG2 3.87Å; Y117-I230 HydrophobicContact CG-CG2 3.93Å; Y117-L233 HydrophobicContact CE1-CB 4.22Å; Y117-K234 HydrophobicContact CD1-CG 4.39Å; Y117-K234 HydrophobicContact CD2-CD 3.89Å; Y117-K234 HydrophobicContact CD2-CG 3.73Å; Y117-K234 HydrophobicContact CE1-CG 4.15Å; Y117-K234 HydrophobicContact CE2-CD 4.14Å; Y117-K234 HydrophobicContact CE2-CG 3.46Å; Y117-K234 VanDerWaalsContact CE2-CG 3.46Å; Y117-K234 HydrophobicContact CG-CD 4.22Å; Y117-K234 HydrophobicContact CG-CG 4.18Å
118P97.9Very high93.3Very high16 Ų1643 Ų4310%0.10421%0.205CC..  trans-56.4138.4178.3-28.938.8000113.2Y143 I208 W210 K211P118-Y143 VanDerWaalsContact CB-O 3.23Å; P118-Y143 WeakPolarHBondContact CB-O 3.05Å; P118-I208 HydrophobicContact CB-CG2 3.8Å; P118-I208 HydrophobicContact CG-CG2 4.35Å; P118-W210 CarbonylContact O-C 3.43Å; P118-W210 VanDerWaalsContact O-CA 3.24Å; P118-W210 WeakPolarHBondContact O-CA 3.28Å; P118-K211 PolarHBondContact O-N 2.85Å
119L98.7Very high93.9Very high0 Ų042.9 Ų42.90%021%0.205CC..EExtended strand (participates in β ladder)trans-100.5153.9173-57.8-172.3000111.1Y117 F121 N144 L145 M214 L229 I230 L233Y117-L119 HydrophobicContact CD1-CD2 3.94Å; Y117-L119 HydrophobicContact CE1-CD2 4.1Å; Y117-L119 PolarHBondContact O-N 3.25Å; L119-F121 HydrophobicContact CB-CE2 3.84Å; L119-F121 HydrophobicContact CB-CZ 4.06Å; L119-F121 HydrophobicContact CD1-CZ 4.02Å; L119-N144 PolarHBondContact N-OD1 2.71Å; L119-N144 CarbonylContact O-C 3.49Å; L119-N144 VanDerWaalsContact O-CA 3.3Å; L119-N144 WeakPolarHBondContact O-CA 3Å; L119-N144 VanDerWaalsContact O-CB 3.29Å; L119-N144 WeakPolarHBondContact O-CB 3.28Å; L119-L145 PolarHBondContact O-N 3.46Å; L119-M214 HydrophobicContact CD1-CE 4.04Å; L119-L229 HydrophobicContact CD1-CB 3.76Å; L119-L229 HydrophobicContact CD1-CD1 4.28Å; L119-I230 HydrophobicContact CD1-CG1 4.01Å; L119-I230 HydrophobicContact CD2-CG1 4.02Å; L119-I230 HydrophobicContact CG-CG1 3.93Å; L119-L233 HydrophobicContact CD1-CD1 4.05Å; L119-L233 HydrophobicContact CD2-CD1 3.53Å; L119-L233 HydrophobicContact CG-CD1 4.46Å
120G98.8Very high94.5Very high0 Ų042.5 Ų42.50%021%0.205CC..EExtended strand (participates in β ladder)trans-105.4137.5171.900000111L145 Y212 V213 M214G120-L145 CarbonylContact C-O 3.58Å; G120-L145 VanDerWaalsContact CA-O 3.24Å; G120-L145 WeakPolarHBondContact CA-O 3.34Å; G120-Y212 WeakPolarHBondContact CA-O 3.32Å; G120-Y212 PolarHBondContact N-O 3.49Å; G120-V213 VanDerWaalsContact O-CA 3.27Å; G120-V213 WeakPolarHBondContact O-CA 3.35Å; G120-M214 PolarHBondContact O-N 3.39Å
121F98.8Very high95.3Very high0 Ų037.4 Ų37.40%018%0.178CC..EExtended strand (participates in β ladder)trans-130.7120.8171.9-60.4-79.3000110.7L119 F123 L139 N144 L145 Y146 C147 M214 I216 L229 F379L119-F121 HydrophobicContact CB-CE2 3.84Å; L119-F121 HydrophobicContact CB-CZ 4.06Å; L119-F121 HydrophobicContact CD1-CZ 4.02Å; F121-F123 HydrophobicContact CB-CD2 4.15Å; F121-F123 HydrophobicContact CB-CE2 3.58Å; F121-L139 HydrophobicContact CE1-CD2 4.17Å; F121-L139 HydrophobicContact CZ-CD2 4.25Å; F121-N144 HydrophobicContact CE2-CB 4.48Å; F121-L145 PolarHBondContact N-O 2.05Å; F121-Y146 HydrophobicContact CB-CD1 3.86Å; F121-Y146 HydrophobicContact CB-CE1 4.16Å; F121-Y146 AromaticContact CD2-CD1 3.87Å; F121-Y146 HydrophobicContact CD2-CD1 3.87Å; F121-Y146 AromaticContact CD2-CE1 3.33Å; F121-Y146 HydrophobicContact CD2-CE1 3.33Å; F121-Y146 AromaticContact CD2-CZ 3.83Å; F121-Y146 HydrophobicContact CE2-CE1 4.01Å; F121-Y146 HydrophobicContact CG-CD1 4.25Å; F121-Y146 HydrophobicContact CG-CE1 4.04Å; F121-Y146 CarbonylContact O-C 3.59Å; F121-Y146 WeakPolarHBondContact O-CA 3.39Å; F121-C147 PolarHBondContact O-N 2.64Å; F121-M214 WeakPolarHBondContact CA-O 3.39Å; F121-M214 HydrophobicContact CD1-CB 4.4Å; F121-M214 HydrophobicContact CD1-CE 4.21Å; F121-M214 HydrophobicContact CE1-CE 3.51Å; F121-M214 HydrophobicContact CZ-CE 4.06Å; F121-I216 HydrophobicContact CB-CD1 4.4Å; F121-I216 HydrophobicContact CD1-CD1 3.36Å; F121-I216 HydrophobicContact CD1-CG1 4.39Å; F121-I216 HydrophobicContact CE1-CD1 3.96Å; F121-I216 HydrophobicContact CG-CD1 4.25Å; F121-L229 HydrophobicContact CE1-CD1 4.35Å; F121-L229 HydrophobicContact CZ-CD1 4.17Å; F121-F379 HydrophobicContact CE1-CZ 4.17Å
122A98.7Very high95.8Very high2 Ų236.7 Ų36.72%0.01717%0.174CC..EExtended strand (participates in β ladder)trans-106104.3178.200000109.8C147 F195 C198 M202 V213 M214 N215 I216A122-C147 CarbonylContact C-O 3.53Å; A122-C147 WeakPolarHBondContact CA-O 3.49Å; A122-F195 HydrophobicContact CB-CD2 3.46Å; A122-F195 VanDerWaalsContact CB-CD2 3.46Å; A122-F195 HydrophobicContact CB-CE2 3.51Å; A122-C198 HydrophobicContact CB-CB 3.82Å; A122-M202 HydrophobicContact CB-SD 4.47Å; A122-V213 HydrophobicContact CB-CG2 4.26Å; A122-M214 PolarHBondContact N-O 2.88Å; A122-N215 CarbonylContact O-C 3.57Å; A122-N215 WeakPolarHBondContact O-CA 3.12Å; A122-I216 PolarHBondContact O-N 2.85Å
123F98.5Very high95.9Very high1 Ų129 Ų290%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-84.4131.8179.8-72.7-107.9000110.4F121 V125 L135 L136 L139 Y146 C147 I148 H149 I216F121-F123 HydrophobicContact CB-CD2 4.15Å; F121-F123 HydrophobicContact CB-CE2 3.58Å; F123-V125 HydrophobicContact CB-CG2 4.03Å; F123-L135 HydrophobicContact CE1-CD2 3.86Å; F123-L135 HydrophobicContact CE1-CG 3.92Å; F123-L135 HydrophobicContact CZ-CG 4.49Å; F123-L136 HydrophobicContact CD2-CD2 4.32Å; F123-L136 HydrophobicContact CE1-CD2 3.94Å; F123-L136 HydrophobicContact CE1-CG 4.19Å; F123-L136 HydrophobicContact CE2-CD2 3.76Å; F123-L136 HydrophobicContact CZ-CD2 3.54Å; F123-L136 HydrophobicContact CZ-CG 4.23Å; F123-L139 HydrophobicContact CZ-CD1 3.81Å; F123-Y146 AromaticContact CE2-CD1 3.89Å; F123-Y146 HydrophobicContact CE2-CD1 3.89Å; F123-C147 PolarHBondContact N-O 3.07Å; F123-I148 HydrophobicContact CB-CB 4.4Å; F123-I148 HydrophobicContact CB-CG1 4.15Å; F123-I148 HydrophobicContact CB-CG2 4.24Å; F123-I148 HydrophobicContact CG-CG1 4.48Å; F123-H149 PolarHBondContact O-N 2.89Å; F123-I216 CarbonylContact C-O 3.42Å; F123-I216 VanDerWaalsContact CA-O 3.3Å; F123-I216 WeakPolarHBondContact CA-O 3.25Å; F123-I216 HydrophobicContact CD1-CB 4.46Å; F123-I216 HydrophobicContact CD1-CG2 4.24Å; F123-I216 HydrophobicContact CE1-CB 4.42Å; F123-I216 HydrophobicContact CE1-CG2 3.94Å; F123-I216 HydrophobicContact CZ-CG2 4.32Å
124T97.9Very high95.8Very high21 Ų2127.7 Ų27.713%0.12914%0.135CC..EExtended strand (participates in β ladder)trans-106.8116.4160.1-60.40000108.3V184 S194 I216T124-V184 HydrophobicContact CG2-CG2 4.25Å; T124-S194 PolarHBondContact OG1-OG 3.26Å; T124-I216 PolarHBondContact N-O 3.16Å
125V98.1Very high95.8Very high1 Ų127.4 Ų27.41%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-118.7126.7-172.5-1780000109.8F123 I132 I148 H149 V150 D151 F158 I162F123-V125 HydrophobicContact CB-CG2 4.03Å; V125-I132 HydrophobicContact CB-CD1 4.43Å; V125-I132 HydrophobicContact CG1-CD1 4Å; V125-I132 HydrophobicContact CG1-CG1 3.66Å; V125-I132 HydrophobicContact CG2-CD1 3.77Å; V125-I132 HydrophobicContact CG2-CG1 4.11Å; V125-I132 HydrophobicContact CG2-CG2 4.21Å; V125-I148 HydrophobicContact CB-CG2 4.39Å; V125-I148 HydrophobicContact CG2-CG2 3.71Å; V125-H149 PolarHBondContact N-O 3.18Å; V125-V150 CarbonylContact O-C 3.57Å; V125-V150 WeakPolarHBondContact O-CA 3.41Å; V125-D151 PolarHBondContact O-N 3.01Å; V125-F158 HydrophobicContact CG1-CE1 3.82Å; V125-F158 HydrophobicContact CG1-CZ 3.81Å; V125-I162 HydrophobicContact CG1-CD1 3.77Å; V125-I162 HydrophobicContact CG1-CG1 4.45Å
126Y96.3Very high95.9Very high95 Ų9524.2 Ų24.237%0.37312%0.116SC..  trans-135.9-8.7179.661.1-90.4000113.2T154Y126-T154 WeakPolarHBondContact O-CG2 3.15Å
127E93.5Very high95.7Very high79 Ų7920.2 Ų20.237%0.3699%0.094SC..SBendtrans-163.8170.8178.467.2-177-161.500112.3K219E127-K219 WeakPolarHBondContact OE1-CE 2.84Å; E127-K219 IonicContact OE1-NZ 2.86Å; E127-K219 PolarHBondContact OE1-NZ 3.47Å
128N92.2Very high95.4Very high48 Ų4818.6 Ų18.626%0.2579%0.088SC..  trans46.287.7173.8-166.9-35.1000114.8E130 R131 I132 N385N128-E130 VanDerWaalsContact C-N 3.27Å; N128-E130 PolarHBondContact O-N 2.92Å; N128-E130 WeakPolarHBondContact OD1-CA 3.46Å; N128-E130 WeakPolarHBondContact OD1-CB 3.41Å; N128-E130 PolarHBondContact OD1-N 3.48Å; N128-R131 HydrophobicContact CB-CB 4.27Å; N128-R131 HydrophobicContact CB-CG 4.17Å; N128-R131 VanDerWaalsContact CG-CG 3.5Å; N128-R131 PolarHBondContact O-N 2.8Å; N128-R131 PolarHBondContact OD1-N 2.75Å; N128-I132 WeakPolarHBondContact O-CG1 3.32Å; N128-I132 PolarHBondContact O-N 3.25Å; N128-N385 WeakPolarHBondContact CB-ND2 3.47Å; N128-N385 PolarHBondContact ND2-ND2 3.48Å; N128-N385 PolarHBondContact ND2-OD1 3.33Å
129I94Very high95.3Very high37 Ų3718.1 Ų18.119%0.198%0.084CC..Hα-helixtrans-59.7-33.8176.7-169.962.6000113.2W91 I132 A133 F158 I162 L165W91-I129 HydrophobicContact CE3-CG1 3.78Å; W91-I129 HydrophobicContact CH2-CG1 4.16Å; W91-I129 HydrophobicContact CZ3-CB 4.46Å; W91-I129 HydrophobicContact CZ3-CD1 4.22Å; W91-I129 HydrophobicContact CZ3-CG1 3.33Å; W91-I129 HydrophobicContact CZ3-CG2 4.27Å; I129-I132 PolarHBondContact O-N 3.01Å; I129-A133 WeakPolarHBondContact O-CB 3.32Å; I129-A133 PolarHBondContact O-N 3.33Å; I129-F158 HydrophobicContact CB-CE2 4.13Å; I129-I162 HydrophobicContact CD1-CD1 3.24Å; I129-I162 HydrophobicContact CD1-CG1 3.85Å; I129-L165 HydrophobicContact CD1-CB 4.18Å; I129-L165 HydrophobicContact CD1-CD2 3.62Å; I129-L165 HydrophobicContact CG1-CD2 4.37Å
130E91.4Very high95.1Very high46 Ų4618.6 Ų18.622%0.2159%0.086CC..Hα-helixtrans-64.6-43.7179.8-171.9-167.4150.400111.4L87 Q90 N128 I132 A133 R134L87-E130 WeakPolarHBondContact CD1-OE1 3.36Å; Q90-E130 PolarHBondContact NE2-OE1 3.37Å; N128-E130 VanDerWaalsContact C-N 3.27Å; N128-E130 PolarHBondContact O-N 2.92Å; N128-E130 WeakPolarHBondContact OD1-CA 3.46Å; N128-E130 WeakPolarHBondContact OD1-CB 3.41Å; N128-E130 PolarHBondContact OD1-N 3.48Å; E130-I132 VanDerWaalsContact C-N 3.34Å; E130-I132 PolarHBondContact O-N 3.08Å; E130-A133 PolarHBondContact O-N 3.05Å; E130-R134 VanDerWaalsContact O-CG 3.3Å; E130-R134 WeakPolarHBondContact O-CG 3.42Å; E130-R134 PolarHBondContact O-N 3.09Å
131R92.1Very high94.9Very high11 Ų1119 Ų194%0.0429%0.088CC..Hα-helixtrans-63.4-40.9175.1-71.4-69.7-171.2-158.92.3111.5N128 L135 N385 D389 Y392 D393N128-R131 HydrophobicContact CB-CB 4.27Å; N128-R131 HydrophobicContact CB-CG 4.17Å; N128-R131 VanDerWaalsContact CG-CG 3.5Å; N128-R131 PolarHBondContact O-N 2.8Å; N128-R131 PolarHBondContact OD1-N 2.75Å; R131-L135 WeakPolarHBondContact O-CB 3.46Å; R131-L135 PolarHBondContact O-N 3.43Å; R131-N385 VanDerWaalsContact CG-OD1 3.28Å; R131-N385 WeakPolarHBondContact CG-OD1 3.2Å; R131-N385 PolarHBondContact NE-OD1 3.19Å; R131-D389 IonicContact CZ-OD1 3.8Å; R131-D389 IonicContact NH2-OD1 3.47Å; R131-D389 PolarHBondContact NH2-OD1 3.41Å; R131-Y392 VanDerWaalsContact NH1-CB 3.31Å; R131-Y392 VanDerWaalsContact NH1-CE1 3.34Å; R131-Y392 PolarHBondContact O-OH 2.85Å; R131-D393 IonicContact NH1-OD1 3.89Å
132I95.7Very high94.7Very high1 Ų121.7 Ų21.71%0.00511%0.105CC..Hα-helixtrans-66.3-43177.3-61-56.2000111V125 N128 I129 E130 L135 L136 I162 L165V125-I132 HydrophobicContact CB-CD1 4.43Å; V125-I132 HydrophobicContact CG1-CD1 4Å; V125-I132 HydrophobicContact CG1-CG1 3.66Å; V125-I132 HydrophobicContact CG2-CD1 3.77Å; V125-I132 HydrophobicContact CG2-CG1 4.11Å; V125-I132 HydrophobicContact CG2-CG2 4.21Å; N128-I132 WeakPolarHBondContact O-CG1 3.32Å; N128-I132 PolarHBondContact O-N 3.25Å; I129-I132 PolarHBondContact O-N 3.01Å; E130-I132 VanDerWaalsContact C-N 3.34Å; E130-I132 PolarHBondContact O-N 3.08Å; I132-L135 PolarHBondContact O-N 3.24Å; I132-L136 HydrophobicContact CG2-CD1 3.92Å; I132-L136 HydrophobicContact CG2-CG 4.35Å; I132-L136 WeakPolarHBondContact O-CB 3.48Å; I132-L136 WeakPolarHBondContact O-CG 3.43Å; I132-L136 PolarHBondContact O-N 3.34Å; I132-I162 HydrophobicContact CG2-CD1 4.05Å; I132-L165 HydrophobicContact CB-CD2 4.5Å; I132-L165 HydrophobicContact CG2-CD2 4.05Å
133A94.7Very high94.4Very high1 Ų125.4 Ų25.41%0.00812%0.12CC..Hα-helixtrans-56.7-54.5175.300000110.5W91 F100 I129 E130 L135 L136 R137 L165W91-A133 HydrophobicContact CB-CB 3.81Å; W91-A133 HydrophobicContact CG-CB 4.37Å; F100-A133 HydrophobicContact CE1-CB 4.29Å; F100-A133 HydrophobicContact CE2-CB 4.09Å; F100-A133 HydrophobicContact CZ-CB 3.66Å; F100-A133 WeakPolarHBondContact CZ-O 3.4Å; I129-A133 WeakPolarHBondContact O-CB 3.32Å; I129-A133 PolarHBondContact O-N 3.33Å; E130-A133 PolarHBondContact O-N 3.05Å; A133-L135 PolarHBondContact O-N 2.78Å; A133-L136 PolarHBondContact O-N 3.4Å; A133-R137 WeakPolarHBondContact O-CB 3.33Å; A133-R137 PolarHBondContact O-N 3.15Å; A133-L165 HydrophobicContact CB-CD1 3.58Å; A133-L165 HydrophobicContact CB-CD2 3.82Å; A133-L165 HydrophobicContact CB-CG 4.37Å
134R92.3Very high94.4Very high8 Ų825.4 Ų25.43%0.0312%0.12CC..Hα-helixtrans-59.1-45.8179.8-68.2171.965.6-1750.9112.1E130 L136 R137 I138 Y392 D393 E396E130-R134 VanDerWaalsContact O-CG 3.3Å; E130-R134 WeakPolarHBondContact O-CG 3.42Å; E130-R134 PolarHBondContact O-N 3.09Å; R134-L136 PolarHBondContact O-N 3.12Å; R134-R137 WeakPolarHBondContact O-CB 3.29Å; R134-R137 PolarHBondContact O-N 2.79Å; R134-I138 VanDerWaalsContact O-CG1 3.32Å; R134-I138 WeakPolarHBondContact O-CG1 3.46Å; R134-I138 PolarHBondContact O-N 3.35Å; R134-Y392 HydrophobicContact CB-CE1 4.41Å; R134-Y392 VanDerWaalsContact NH2-CD1 3.33Å; R134-D393 IonicContact CZ-OD1 2.91Å; R134-D393 IonicContact NH1-OD1 3.29Å; R134-D393 PolarHBondContact NH1-OD1 3.33Å; R134-D393 IonicContact NH2-OD1 2.77Å; R134-D393 PolarHBondContact NH2-OD1 3.14Å; R134-E396 IonicContact CZ-OE2 3.91Å; R134-E396 IonicContact NE-OE2 2.67Å; R134-E396 PolarHBondContact NE-OE2 3.28Å; R134-E396 IonicContact NH2-OE2 3.36Å; R134-E396 PolarHBondContact NH2-OE2 3.38Å
135L95Very high94.4Very high0 Ų024.4 Ų24.40%011%0.113CC..Hα-helixtrans-62.5-44.2178.2-17656.4000112.4F123 R131 I132 A133 I138 L139 I216 N217 L221F123-L135 HydrophobicContact CE1-CD2 3.86Å; F123-L135 HydrophobicContact CE1-CG 3.92Å; F123-L135 HydrophobicContact CZ-CG 4.49Å; R131-L135 WeakPolarHBondContact O-CB 3.46Å; R131-L135 PolarHBondContact O-N 3.43Å; I132-L135 PolarHBondContact O-N 3.24Å; A133-L135 PolarHBondContact O-N 2.78Å; L135-I138 PolarHBondContact O-N 3.19Å; L135-L139 HydrophobicContact CD1-CD1 3.68Å; L135-L139 HydrophobicContact CD1-CG 4.3Å; L135-L139 HydrophobicContact CG-CD1 3.95Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 2.71Å; L135-L139 VanDerWaalsContact O-N 3.12Å; L135-I216 HydrophobicContact CD2-CG2 3.57Å; L135-I216 HydrophobicContact CG-CG2 4.35Å; L135-N217 WeakPolarHBondContact CD2-O 3.05Å; L135-L221 HydrophobicContact CD1-CD1 4.07Å
136L95.4Very high94.5Very high0 Ų024.4 Ų24.40%011%0.113CC..Hα-helixtrans-61.2-44.8173.4-78.5172.1000111F123 I132 A133 R134 I138 L139 Y140 Y146 I148 L165 F169 I173F123-L136 HydrophobicContact CD2-CD2 4.32Å; F123-L136 HydrophobicContact CE1-CD2 3.94Å; F123-L136 HydrophobicContact CE1-CG 4.19Å; F123-L136 HydrophobicContact CE2-CD2 3.76Å; F123-L136 HydrophobicContact CZ-CD2 3.54Å; F123-L136 HydrophobicContact CZ-CG 4.23Å; I132-L136 HydrophobicContact CG2-CD1 3.92Å; I132-L136 HydrophobicContact CG2-CG 4.35Å; I132-L136 WeakPolarHBondContact O-CB 3.48Å; I132-L136 WeakPolarHBondContact O-CG 3.43Å; I132-L136 PolarHBondContact O-N 3.34Å; A133-L136 PolarHBondContact O-N 3.4Å; R134-L136 PolarHBondContact O-N 3.12Å; L136-I138 VanDerWaalsContact C-N 3.3Å; L136-I138 PolarHBondContact O-N 3.29Å; L136-L139 PolarHBondContact O-N 3.46Å; L136-Y140 WeakPolarHBondContact O-CA 3.43Å; L136-Y140 WeakPolarHBondContact O-CB 3.34Å; L136-Y140 PolarHBondContact O-N 3.23Å; L136-Y146 HydrophobicContact CD2-CD1 4.18Å; L136-I148 HydrophobicContact CD1-CD1 3.91Å; L136-I148 HydrophobicContact CD2-CD1 4.45Å; L136-L165 HydrophobicContact CD1-CD2 4.05Å; L136-L165 HydrophobicContact CD1-CG 4.41Å; L136-F169 HydrophobicContact CB-CE1 4.47Å; L136-F169 HydrophobicContact CB-CE2 3.98Å; L136-F169 HydrophobicContact CB-CZ 3.73Å; L136-F169 HydrophobicContact CD1-CE2 4.24Å; L136-I173 HydrophobicContact CD2-CD1 4.4Å
137R91.7Very high94.6Very high18 Ų1819.9 Ų19.97%0.06810%0.095CC..Hα-helixtrans-57.8-40.4179.6-175.3177.169.9179.6-0.5112.8L88 Y89 F100 L104 A133 R134 F169 E396L88-R137 PolarHBondContact O-NH1 3.21Å; Y89-R137 PolarHBondContact O-NH1 3.45Å; Y89-R137 VanDerWaalsContact O-NH1 3.15Å; F100-R137 HydrophobicContact CE1-CB 4.02Å; F100-R137 HydrophobicContact CE1-CG 4.38Å; F100-R137 HydrophobicContact CZ-CB 3.65Å; F100-R137 HydrophobicContact CZ-CG 4.12Å; F100-R137 WeakPolarHBondContact O-CD 3.48Å; L104-R137 HydrophobicContact CD1-CG 3.78Å; A133-R137 WeakPolarHBondContact O-CB 3.33Å; A133-R137 PolarHBondContact O-N 3.15Å; R134-R137 WeakPolarHBondContact O-CB 3.29Å; R134-R137 PolarHBondContact O-N 2.79Å; R137-F169 HydrophobicContact CB-CZ 4.45Å; R137-E396 IonicContact CZ-OE1 2.8Å; R137-E396 IonicContact NE-OE1 3.88Å; R137-E396 IonicContact NH2-OE1 2.6Å; R137-E396 PolarHBondContact NH2-OE1 3.44Å; R137-E396 IonicContact NH2-OE2 3.39Å
138I92.4Very high94.8Very high5 Ų516.1 Ų16.13%0.0268%0.078CC..Hα-helixtrans-70-44.7177.6-61.6160.4000111.1R134 L135 L136 R141 L221 P222 E396 V399R134-I138 VanDerWaalsContact O-CG1 3.32Å; R134-I138 WeakPolarHBondContact O-CG1 3.46Å; R134-I138 PolarHBondContact O-N 3.35Å; L135-I138 PolarHBondContact O-N 3.19Å; L136-I138 VanDerWaalsContact C-N 3.3Å; L136-I138 PolarHBondContact O-N 3.29Å; I138-R141 PolarHBondContact O-NH1 3.27Å; I138-L221 HydrophobicContact CD1-CD1 3.58Å; I138-L221 HydrophobicContact CD1-CG 4.43Å; I138-P222 HydrophobicContact CG2-CG 3.62Å; I138-E396 HydrophobicContact CD1-CB 3.9Å; I138-E396 HydrophobicContact CD1-CG 3.52Å; I138-E396 HydrophobicContact CG1-CG 3.97Å; I138-V399 HydrophobicContact CG2-CB 4.44Å; I138-V399 HydrophobicContact CG2-CG1 3.71Å
139L95.2Very high95.1Very high6 Ų613.9 Ų13.93%0.0317%0.066CC..Hα-helixtrans-82-20.3-174.2-70.1170.6000114.2F121 F123 L135 L136 R141 Y146 I216 P222 F379F121-L139 HydrophobicContact CE1-CD2 4.17Å; F121-L139 HydrophobicContact CZ-CD2 4.25Å; F123-L139 HydrophobicContact CZ-CD1 3.81Å; L135-L139 HydrophobicContact CD1-CD1 3.68Å; L135-L139 HydrophobicContact CD1-CG 4.3Å; L135-L139 HydrophobicContact CG-CD1 3.95Å; L135-L139 WeakPolarHBondContact O-CB 3.4Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 2.71Å; L135-L139 VanDerWaalsContact O-N 3.12Å; L136-L139 PolarHBondContact O-N 3.46Å; L139-R141 PolarHBondContact O-N 3.08Å; L139-Y146 HydrophobicContact CB-CE1 4.4Å; L139-Y146 PolarHBondContact O-OH 2.86Å; L139-I216 HydrophobicContact CD1-CD1 3.56Å; L139-P222 HydrophobicContact CD2-CB 4.11Å; L139-P222 HydrophobicContact CD2-CG 3.92Å; L139-P222 HydrophobicContact CG-CG 4.35Å; L139-F379 HydrophobicContact CD1-CE1 4.22Å; L139-F379 HydrophobicContact CD2-CE1 3.94Å; L139-F379 HydrophobicContact CD2-CZ 4.12Å
140Y95.2Very high95.4Very high11 Ų1112.1 Ų12.14%0.0436%0.057CC..  trans-63.2130.7-169.3-178.7-100000112.2R101 L108 L136 P142 Y146 F169 N172 I173R101-Y140 VanDerWaalsContact NH2-CE1 3.33Å; L108-Y140 HydrophobicContact CD1-CD1 4.09Å; L108-Y140 HydrophobicContact CD1-CE1 4.41Å; L108-Y140 VanDerWaalsContact CD2-O 3.27Å; L108-Y140 WeakPolarHBondContact CD2-O 3.25Å; L136-Y140 WeakPolarHBondContact O-CA 3.43Å; L136-Y140 WeakPolarHBondContact O-CB 3.34Å; L136-Y140 PolarHBondContact O-N 3.23Å; Y140-P142 HydrophobicContact CE1-CG 4.11Å; Y140-Y146 WeakPolarHBondContact CA-OH 3.44Å; Y140-Y146 HydrophobicContact CD2-CD2 4.41Å; Y140-Y146 AromaticContact CD2-CE2 3.92Å; Y140-Y146 HydrophobicContact CD2-CE2 3.92Å; Y140-Y146 HydrophobicContact CE2-CE2 4.31Å; Y140-F169 AromaticContact CD1-CD1 3.91Å; Y140-F169 HydrophobicContact CD1-CD1 3.91Å; Y140-F169 HydrophobicContact CD1-CE1 4.46Å; Y140-F169 HydrophobicContact CD2-CB 4.14Å; Y140-F169 AromaticContact CD2-CD1 3.59Å; Y140-F169 HydrophobicContact CD2-CD1 3.59Å; Y140-F169 HydrophobicContact CD2-CE1 4.33Å; Y140-F169 HydrophobicContact CD2-CG 4.15Å; Y140-F169 HydrophobicContact CE1-CD1 4.31Å; Y140-F169 HydrophobicContact CE2-CB 3.8Å; Y140-F169 HydrophobicContact CE2-CD1 4.02Å; Y140-F169 HydrophobicContact CE2-CG 4.3Å; Y140-F169 AromaticContact CG-CD1 3.52Å; Y140-F169 HydrophobicContact CG-CD1 3.52Å; Y140-F169 AromaticContact CG-CE1 3.97Å; Y140-F169 HydrophobicContact CG-CE1 3.97Å; Y140-F169 HydrophobicContact CG-CG 4.5Å; Y140-N172 WeakPolarHBondContact CE2-ND2 3.45Å; Y140-N172 WeakPolarHBondContact CE2-OD1 3.46Å; Y140-N172 PolarHBondContact OH-OD1 3.34Å; Y140-I173 HydrophobicContact CD2-CD1 4.23Å; Y140-I173 HydrophobicContact CE2-CD1 4.31Å; Y140-I173 HydrophobicContact CE2-CG1 4.32Å
141R94.5Very high95.7Very high7 Ų710.5 Ų10.53%0.0265%0.05CC..  trans-136.6140.4163.3-61.6-66.7-178.1-87.63.3108.2E114 I138 L139 Y143 N144 Y146 N172 N226E114-R141 IonicContact OE1-NE 3.71Å; E114-R141 PolarHBondContact OE1-NE 2.9Å; I138-R141 PolarHBondContact O-NH1 3.27Å; L139-R141 PolarHBondContact O-N 3.08Å; R141-Y143 PolarHBondContact O-N 3.3Å; R141-Y143 VanDerWaalsContact O-N 3.11Å; R141-N144 HydrophobicContact CB-CB 4.24Å; R141-N144 PolarHBondContact O-N 3.46Å; R141-Y146 PolarHBondContact N-OH 2.98Å; R141-N172 PolarHBondContact O-ND2 3.07Å; R141-N226 HydrophobicContact CG-CB 3.98Å
142P93.2Very high96Very high57 Ų5715.6 Ų15.637%0.377%0.069SC..THydrogen-bonded Turntrans-57.9-26.7-179.9-26.935000114.7Y140 N172Y140-P142 HydrophobicContact CE1-CG 4.11Å; P142-N172 PolarHBondContact O-ND2 2.95Å
143Y94Very high96.1Very high81 Ų8120.5 Ų20.532%0.31810%0.095SC..THydrogen-bonded Turntrans-92.7-16-175.5-45.6-64.5000113.6L115 P118 R141 I208L115-Y143 HydrophobicContact CB-CD2 4.48Å; L115-Y143 HydrophobicContact CD1-CD1 3.27Å; L115-Y143 HydrophobicContact CD1-CD2 3.86Å; L115-Y143 HydrophobicContact CD1-CE1 3.36Å; L115-Y143 HydrophobicContact CD1-CE2 3.93Å; L115-Y143 HydrophobicContact CD1-CG 3.53Å; P118-Y143 VanDerWaalsContact CB-O 3.23Å; P118-Y143 WeakPolarHBondContact CB-O 3.05Å; R141-Y143 PolarHBondContact O-N 3.3Å; R141-Y143 VanDerWaalsContact O-N 3.11Å; Y143-I208 WeakPolarHBondContact O-CG2 3.22Å
144N97.7Very high96.2Very high1 Ų121.3 Ų21.31%0.00510%0.1CC..SBendtrans-78.2160.4175.6-73.2-13.2000110.8L119 F121 R141 Y146 N172 N226L119-N144 PolarHBondContact N-OD1 2.71Å; L119-N144 CarbonylContact O-C 3.49Å; L119-N144 VanDerWaalsContact O-CA 3.3Å; L119-N144 WeakPolarHBondContact O-CA 3Å; L119-N144 VanDerWaalsContact O-CB 3.29Å; L119-N144 WeakPolarHBondContact O-CB 3.28Å; F121-N144 HydrophobicContact CE2-CB 4.48Å; R141-N144 HydrophobicContact CB-CB 4.24Å; R141-N144 PolarHBondContact O-N 3.46Å; N144-Y146 HydrophobicContact CB-CE2 3.54Å; N144-Y146 VanDerWaalsContact CB-OH 3.27Å; N144-Y146 WeakPolarHBondContact CB-OH 3.19Å; N144-Y146 PolarHBondContact ND2-OH 3.15Å; N144-N172 WeakPolarHBondContact O-CB 3.33Å; N144-N172 PolarHBondContact O-ND2 3.44Å; N144-N226 PolarHBondContact ND2-OD1 2.86Å
145L98.6Very high96.5Very high0 Ų023.8 Ų23.80%012%0.118CC..EExtended strand (participates in β ladder)trans-110.8132.6175.3-17363000110.9L119 G120 F121 E174 M202 N205 I208L119-L145 PolarHBondContact O-N 3.46Å; G120-L145 CarbonylContact C-O 3.58Å; G120-L145 VanDerWaalsContact CA-O 3.24Å; G120-L145 WeakPolarHBondContact CA-O 3.34Å; F121-L145 PolarHBondContact N-O 2.05Å; L145-E174 HydrophobicContact CD1-CG 4.45Å; L145-M202 HydrophobicContact CB-CE 4.15Å; L145-M202 HydrophobicContact CD2-CB 3.8Å; L145-M202 HydrophobicContact CD2-CE 4.17Å; L145-M202 HydrophobicContact CD2-CG 3.85Å; L145-M202 HydrophobicContact CG-CE 4.09Å; L145-M202 HydrophobicContact CG-CG 4.2Å; L145-N205 WeakPolarHBondContact CD1-ND2 3.49Å; L145-N205 HydrophobicContact CD2-CB 3.62Å; L145-I208 HydrophobicContact CB-CB 4.31Å; L145-I208 HydrophobicContact CB-CG2 3.87Å; L145-I208 HydrophobicContact CD1-CD1 4.42Å
146Y98.8Very high96.6Very high0 Ų028.6 Ų28.60%014%0.144CC..EExtended strand (participates in β ladder)trans-120.2132.3-179.9-54.8-99.6000108.5F121 F123 L136 L139 Y140 R141 N144 N172 I173 E174F121-Y146 HydrophobicContact CB-CD1 3.86Å; F121-Y146 HydrophobicContact CB-CE1 4.16Å; F121-Y146 AromaticContact CD2-CD1 3.87Å; F121-Y146 HydrophobicContact CD2-CD1 3.87Å; F121-Y146 AromaticContact CD2-CE1 3.33Å; F121-Y146 HydrophobicContact CD2-CE1 3.33Å; F121-Y146 AromaticContact CD2-CZ 3.83Å; F121-Y146 HydrophobicContact CE2-CE1 4.01Å; F121-Y146 HydrophobicContact CG-CD1 4.25Å; F121-Y146 HydrophobicContact CG-CE1 4.04Å; F121-Y146 CarbonylContact O-C 3.59Å; F121-Y146 WeakPolarHBondContact O-CA 3.39Å; F123-Y146 AromaticContact CE2-CD1 3.89Å; F123-Y146 HydrophobicContact CE2-CD1 3.89Å; L136-Y146 HydrophobicContact CD2-CD1 4.18Å; L139-Y146 HydrophobicContact CB-CE1 4.4Å; L139-Y146 PolarHBondContact O-OH 2.86Å; Y140-Y146 WeakPolarHBondContact CA-OH 3.44Å; Y140-Y146 HydrophobicContact CD2-CD2 4.41Å; Y140-Y146 AromaticContact CD2-CE2 3.92Å; Y140-Y146 HydrophobicContact CD2-CE2 3.92Å; Y140-Y146 HydrophobicContact CE2-CE2 4.31Å; R141-Y146 PolarHBondContact N-OH 2.98Å; N144-Y146 HydrophobicContact CB-CE2 3.54Å; N144-Y146 VanDerWaalsContact CB-OH 3.27Å; N144-Y146 WeakPolarHBondContact CB-OH 3.19Å; N144-Y146 PolarHBondContact ND2-OH 3.15Å; Y146-N172 PolarHBondContact N-O 2.83Å; Y146-I173 HydrophobicContact CD2-CG1 4.06Å; Y146-I173 HydrophobicContact CG-CG1 4.19Å; Y146-E174 PolarHBondContact O-N 2.9Å
147C98.8Very high96.7Very high0 Ų035 Ų350%017%0.174CC..EExtended strand (participates in β ladder)trans-115.5134.3165.1173.70000109.4F121 A122 F123 E174 C198 M202F121-C147 PolarHBondContact O-N 2.64Å; A122-C147 CarbonylContact C-O 3.53Å; A122-C147 WeakPolarHBondContact CA-O 3.49Å; F123-C147 PolarHBondContact N-O 3.07Å; C147-E174 CarbonylContact C-O 3.58Å; C147-E174 VanDerWaalsContact CA-O 3.26Å; C147-E174 WeakPolarHBondContact CA-O 3.08Å; C147-C198 HydrophobicContact CB-CB 3.61Å; C147-C198 WeakPolarHBondContact CB-SG 3.26Å; C147-C198 WeakPolarHBondContact SG-CA 3.41Å; C147-C198 WeakPolarHBondContact SG-CB 3.39Å; C147-C198 CovalentContact SG-SG 2.05Å; C147-C198 PolarHBondContact SG-SG 3.06Å; C147-M202 HydrophobicContact CB-CG 3.74Å; C147-M202 HydrophobicContact CB-SD 3.67Å
148I98.7Very high97Very high1 Ų135.9 Ų35.91%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-117.3112.1176.6-52.3179.8000109F123 V125 L136 V150 I162 I173 E174 I175 I176F123-I148 HydrophobicContact CB-CB 4.4Å; F123-I148 HydrophobicContact CB-CG1 4.15Å; F123-I148 HydrophobicContact CB-CG2 4.24Å; F123-I148 HydrophobicContact CG-CG1 4.48Å; V125-I148 HydrophobicContact CB-CG2 4.39Å; V125-I148 HydrophobicContact CG2-CG2 3.71Å; L136-I148 HydrophobicContact CD1-CD1 3.91Å; L136-I148 HydrophobicContact CD2-CD1 4.45Å; I148-V150 HydrophobicContact CG2-CG2 4.06Å; I148-I162 HydrophobicContact CD1-CG2 4.39Å; I148-I162 HydrophobicContact CG2-CG2 3.88Å; I148-I173 HydrophobicContact CD1-CG2 3.54Å; I148-I173 HydrophobicContact CG1-CG2 3.95Å; I148-E174 PolarHBondContact N-O 3.14Å; I148-I175 HydrophobicContact CB-CG1 4.3Å; I148-I176 PolarHBondContact O-N 3.07Å
149H98.6Very high97.3Very high0 Ų037.2 Ų37.20%018%0.184CC..EExtended strand (participates in β ladder)trans-89.5118.9163178.3-84.3000108.7F123 V125 I176 S181 V182F123-H149 PolarHBondContact O-N 2.89Å; V125-H149 PolarHBondContact N-O 3.18Å; H149-I176 HydrophobicContact CB-CD1 3.93Å; H149-I176 HydrophobicContact CB-CG1 4.36Å; H149-S181 PolarHBondContact NE2-OG 2.96Å; H149-V182 PolarHBondContact CE1-O 2.83Å; H149-V182 PolarHBondContact NE2-N 3.25Å; H149-V182 VanDerWaalsContact NE2-N 3.16Å
150V98.6Very high97.4Very high0 Ų040.8 Ų40.80%020%0.2CC..EExtended strand (participates in β ladder)trans-99121171.6-176.70000108.2V125 I148 R152 T154 F158 Y159 I162 S181V125-V150 CarbonylContact O-C 3.57Å; V125-V150 WeakPolarHBondContact O-CA 3.41Å; I148-V150 HydrophobicContact CG2-CG2 4.06Å; V150-R152 PolarHBondContact O-N 3.11Å; V150-T154 HydrophobicContact CG1-CG2 4.45Å; V150-T154 WeakPolarHBondContact CG1-OG1 3.27Å; V150-F158 HydrophobicContact CG1-CD1 4Å; V150-F158 HydrophobicContact CG1-CE1 4.09Å; V150-Y159 HydrophobicContact CB-CD2 3.83Å; V150-Y159 HydrophobicContact CB-CE2 4.45Å; V150-Y159 HydrophobicContact CG1-CD2 4.09Å; V150-Y159 HydrophobicContact CG2-CD2 4.02Å; V150-Y159 HydrophobicContact CG2-CE2 4.48Å; V150-I162 HydrophobicContact CG2-CB 3.93Å; V150-I162 HydrophobicContact CG2-CG1 3.95Å; V150-I162 HydrophobicContact CG2-CG2 3.63Å; V150-S181 PolarHBondContact O-OG 3.05Å
151D98.3Very high97.5Very high13 Ų1342.1 Ų42.17%0.0721%0.211CC..PPolyproline II helixtrans-51.4130.1-178.9-174.8-12.4000111.2V125 N153 T154 R178 S183 V184V125-D151 PolarHBondContact O-N 3.01Å; D151-N153 PolarHBondContact O-N 2.72Å; D151-N153 VanDerWaalsContact O-N 3.13Å; D151-N153 WeakPolarHBondContact OD1-CB 3.23Å; D151-N153 PolarHBondContact OD1-N 2.95Å; D151-N153 PolarHBondContact OD1-ND2 2.79Å; D151-T154 HydrophobicContact CB-CG2 4.2Å; D151-T154 WeakPolarHBondContact O-CG2 3.48Å; D151-T154 PolarHBondContact O-N 3.45Å; D151-T154 PolarHBondContact O-OG1 2.81Å; D151-R178 PolarHBondContact O-NH1 2.95Å; D151-S183 WeakPolarHBondContact OD1-CA 3.3Å; D151-V184 HydrophobicContact CB-CB 4.5Å; D151-V184 HydrophobicContact CB-CG2 4.3Å; D151-V184 PolarHBondContact OD1-N 3.46Å; D151-V184 WeakPolarHBondContact OD2-CB 3.34Å
152R98.3Very high97.6Very high118 Ų11841.9 Ų41.945%0.44521%0.21SC..THydrogen-bonded Turntrans-61-22.9-179.7-166.5176.6-170.2125.3-2.2112.6V150 T154 R178 S179 S181 V182V150-R152 PolarHBondContact O-N 3.11Å; R152-T154 VanDerWaalsContact C-N 3.25Å; R152-T154 PolarHBondContact O-N 3.29Å; R152-R178 PolarHBondContact O-NH2 3.34Å; R152-S179 PolarHBondContact NH1-O 2.84Å; R152-S181 PolarHBondContact N-OG 3.41Å; R152-S181 PolarHBondContact NH1-O 3.27Å; R152-S181 VanDerWaalsContact NH1-O 3.12Å; R152-V182 VanDerWaalsContact CB-C 3.46Å; R152-V182 WeakPolarHBondContact CB-O 3.12Å; R152-V182 PolarHBondContact N-O 3.29Å
153N97.4Very high97.8Very high104 Ų10441 Ų4156%0.55620%0.202SC*.THydrogen-bonded Turntrans-71.4-15.7176.9-62.6-34.3000113.7D151 S183 V184D151-N153 PolarHBondContact O-N 2.72Å; D151-N153 VanDerWaalsContact O-N 3.13Å; D151-N153 WeakPolarHBondContact OD1-CB 3.23Å; D151-N153 PolarHBondContact OD1-N 2.95Å; D151-N153 PolarHBondContact OD1-ND2 2.79Å; N153-S183 WeakPolarHBondContact OD1-CB 3.2Å; N153-S183 PolarHBondContact OD1-OG 2.87Å; N153-V184 PolarHBondContact ND2-O 3.12Å
154T97.9Very high97.9Very high18 Ų1838.8 Ų38.811%0.1120%0.196CC..SBendtrans-73.4162.8175.3710000111.1Y126 V150 D151 R152 F158 R178Y126-T154 WeakPolarHBondContact O-CG2 3.15Å; V150-T154 HydrophobicContact CG1-CG2 4.45Å; V150-T154 WeakPolarHBondContact CG1-OG1 3.27Å; D151-T154 HydrophobicContact CB-CG2 4.2Å; D151-T154 WeakPolarHBondContact O-CG2 3.48Å; D151-T154 PolarHBondContact O-N 3.45Å; D151-T154 PolarHBondContact O-OG1 2.81Å; R152-T154 VanDerWaalsContact C-N 3.25Å; R152-T154 PolarHBondContact O-N 3.29Å; T154-F158 HydrophobicContact CG2-CD1 3.72Å; T154-F158 HydrophobicContact CG2-CE1 3.97Å; T154-R178 PolarHBondContact O-NH2 3.46Å; T154-R178 PolarHBondContact OG1-NH1 2.93Å
155S97.8Very high97.9Very high59 Ų5938.8 Ų38.841%0.41320%0.196SC..  trans-69.1163.5174.688.40000112.4E157 F158 Y159S155-E157 VanDerWaalsContact C-N 3.31Å; S155-E157 WeakPolarHBondContact CB-OE2 2.91Å; S155-E157 PolarHBondContact OG-N 3.36Å; S155-E157 PolarHBondContact OG-OE2 2.99Å; S155-F158 PolarHBondContact O-N 3.41Å; S155-F158 PolarHBondContact OG-N 2.87Å; S155-Y159 PolarHBondContact O-N 3.12Å; S155-Y159 VanDerWaalsContact O-N 3.14Å
156N97.7Very high97.8Very high102 Ų10239.2 Ų39.255%0.54520%0.2SC..Hα-helixtrans-69.8-31.4176.2-73-22.8000111.5F158 Y159 Q160 R178N156-F158 VanDerWaalsContact C-N 3.34Å; N156-Y159 PolarHBondContact O-N 3.22Å; N156-Q160 WeakPolarHBondContact O-CB 3.37Å; N156-Q160 PolarHBondContact O-N 3.08Å; N156-R178 PolarHBondContact OD1-NE 3.32Å; N156-R178 PolarHBondContact OD1-NH2 3.05Å
157E97.2Very high97.6Very high135 Ų13545.3 Ų45.363%0.63123%0.226SC*.Hα-helixtrans-63.6-40.8174.6-5673.6-159.300110.9S155 Q160 S161S155-E157 VanDerWaalsContact C-N 3.31Å; S155-E157 WeakPolarHBondContact CB-OE2 2.91Å; S155-E157 PolarHBondContact OG-N 3.36Å; S155-E157 PolarHBondContact OG-OE2 2.99Å; E157-Q160 PolarHBondContact O-N 3.21Å; E157-S161 WeakPolarHBondContact O-CB 3.33Å; E157-S161 PolarHBondContact O-N 2.76Å; E157-S161 PolarHBondContact O-OG 3.36Å
158F97.6Very high97.4Very high36 Ų3645.7 Ų45.716%0.15823%0.229CC..Hα-helixtrans-66.6-43.3175.1-176.7-97.1000111.7V125 I129 V150 T154 S155 N156 Q160 S161 I162V125-F158 HydrophobicContact CG1-CE1 3.82Å; V125-F158 HydrophobicContact CG1-CZ 3.81Å; I129-F158 HydrophobicContact CB-CE2 4.13Å; V150-F158 HydrophobicContact CG1-CD1 4Å; V150-F158 HydrophobicContact CG1-CE1 4.09Å; T154-F158 HydrophobicContact CG2-CD1 3.72Å; T154-F158 HydrophobicContact CG2-CE1 3.97Å; S155-F158 PolarHBondContact O-N 3.41Å; S155-F158 PolarHBondContact OG-N 2.87Å; N156-F158 VanDerWaalsContact C-N 3.34Å; F158-Q160 VanDerWaalsContact C-N 3.32Å; F158-Q160 PolarHBondContact O-N 3.08Å; F158-S161 WeakPolarHBondContact O-CB 3.35Å; F158-S161 PolarHBondContact O-N 2.72Å; F158-I162 HydrophobicContact CE1-CG1 4.14Å; F158-I162 HydrophobicContact CZ-CD1 4.41Å; F158-I162 HydrophobicContact CZ-CG1 4.43Å; F158-I162 WeakPolarHBondContact O-CG1 3.3Å; F158-I162 PolarHBondContact O-N 2.72Å; F158-I162 VanDerWaalsContact O-N 3.09Å
159Y98.3Very high97.1Very high33 Ų3346.4 Ų46.413%0.12923%0.232CC..Hα-helixtrans-58.4-44173.3175.2-99.4000111.8V150 S155 N156 S161 I162 I163 I175 I176 R178V150-Y159 HydrophobicContact CB-CD2 3.83Å; V150-Y159 HydrophobicContact CB-CE2 4.45Å; V150-Y159 HydrophobicContact CG1-CD2 4.09Å; V150-Y159 HydrophobicContact CG2-CD2 4.02Å; V150-Y159 HydrophobicContact CG2-CE2 4.48Å; S155-Y159 PolarHBondContact O-N 3.12Å; S155-Y159 VanDerWaalsContact O-N 3.14Å; N156-Y159 PolarHBondContact O-N 3.22Å; Y159-S161 VanDerWaalsContact C-N 3.34Å; Y159-S161 PolarHBondContact O-N 2.84Å; Y159-I162 WeakPolarHBondContact O-CB 3.19Å; Y159-I162 PolarHBondContact O-N 3Å; Y159-I163 HydrophobicContact CD1-CD1 3.88Å; Y159-I163 HydrophobicContact CE1-CD1 3.3Å; Y159-I163 HydrophobicContact CE1-CG1 4.26Å; Y159-I163 PolarHBondContact O-N 3.44Å; Y159-I163 VanDerWaalsContact O-N 3.12Å; Y159-I175 HydrophobicContact CE2-CG2 3.89Å; Y159-I176 PolarHBondContact OH-O 3.21Å; Y159-R178 HydrophobicContact CD1-CB 4.45Å; Y159-R178 HydrophobicContact CE1-CB 3.94Å; Y159-R178 HydrophobicContact CE2-CB 4.25Å; Y159-R178 PolarHBondContact OH-N 3.26Å
160Q97.5Very high96.7Very high80 Ų8047.7 Ų47.737%0.37425%0.245SC..Hα-helixtrans-63.8-39.5176.3-17355.644.200111.9N156 E157 F158 I162 I163 D164N156-Q160 WeakPolarHBondContact O-CB 3.37Å; N156-Q160 PolarHBondContact O-N 3.08Å; E157-Q160 PolarHBondContact O-N 3.21Å; F158-Q160 VanDerWaalsContact C-N 3.32Å; F158-Q160 PolarHBondContact O-N 3.08Å; Q160-I162 VanDerWaalsContact C-N 3.26Å; Q160-I162 PolarHBondContact O-N 3.26Å; Q160-I163 WeakPolarHBondContact O-CA 3.25Å; Q160-I163 WeakPolarHBondContact O-CB 3.21Å; Q160-I163 PolarHBondContact O-N 3.48Å; Q160-I163 VanDerWaalsContact O-N 3.09Å; Q160-D164 PolarHBondContact NE2-OD1 3.13Å; Q160-D164 VanDerWaalsContact NE2-OD1 3.14Å; Q160-D164 PolarHBondContact O-N 3.16Å
161S97.2Very high96.5Very high40 Ų4053.9 Ų53.928%0.2828%0.283SS..Hα-helixtrans-61.2-35175.5-58.30000112.3W91 E157 F158 Y159 D164 L165W91-S161 WeakPolarHBondContact CH2-O 3.37Å; E157-S161 WeakPolarHBondContact O-CB 3.33Å; E157-S161 PolarHBondContact O-N 2.76Å; E157-S161 PolarHBondContact O-OG 3.36Å; F158-S161 WeakPolarHBondContact O-CB 3.35Å; F158-S161 PolarHBondContact O-N 2.72Å; Y159-S161 VanDerWaalsContact C-N 3.34Å; Y159-S161 PolarHBondContact O-N 2.84Å; S161-D164 PolarHBondContact O-N 3.32Å; S161-L165 WeakPolarHBondContact O-CB 3.41Å; S161-L165 PolarHBondContact O-N 3.2Å
162I97.9Very high96.5Very high1 Ų153.7 Ų53.71%0.00528%0.282CS..Hα-helixtrans-68.9-39.9173.8-66-76000111.5V125 I129 I132 I148 V150 F158 Y159 Q160 D164 L165 A166 I175V125-I162 HydrophobicContact CG1-CD1 3.77Å; V125-I162 HydrophobicContact CG1-CG1 4.45Å; I129-I162 HydrophobicContact CD1-CD1 3.24Å; I129-I162 HydrophobicContact CD1-CG1 3.85Å; I132-I162 HydrophobicContact CG2-CD1 4.05Å; I148-I162 HydrophobicContact CD1-CG2 4.39Å; I148-I162 HydrophobicContact CG2-CG2 3.88Å; V150-I162 HydrophobicContact CG2-CB 3.93Å; V150-I162 HydrophobicContact CG2-CG1 3.95Å; V150-I162 HydrophobicContact CG2-CG2 3.63Å; F158-I162 HydrophobicContact CE1-CG1 4.14Å; F158-I162 HydrophobicContact CZ-CD1 4.41Å; F158-I162 HydrophobicContact CZ-CG1 4.43Å; F158-I162 WeakPolarHBondContact O-CG1 3.3Å; F158-I162 PolarHBondContact O-N 2.72Å; F158-I162 VanDerWaalsContact O-N 3.09Å; Y159-I162 WeakPolarHBondContact O-CB 3.19Å; Y159-I162 PolarHBondContact O-N 3Å; Q160-I162 VanDerWaalsContact C-N 3.26Å; Q160-I162 PolarHBondContact O-N 3.26Å; I162-D164 VanDerWaalsContact C-N 3.32Å; I162-L165 PolarHBondContact O-N 3.1Å; I162-A166 WeakPolarHBondContact O-CB 3.37Å; I162-A166 PolarHBondContact O-N 3.04Å; I162-I175 HydrophobicContact CG2-CD1 4.07Å
163I97.4Very high96.5Very high38 Ų3848.9 Ų48.920%0.19527%0.265CS..Hα-helixtrans-58.3-47.8172.4-71.8171000110.4Y159 Q160 A166 K167 I175Y159-I163 HydrophobicContact CD1-CD1 3.88Å; Y159-I163 HydrophobicContact CE1-CD1 3.3Å; Y159-I163 HydrophobicContact CE1-CG1 4.26Å; Y159-I163 PolarHBondContact O-N 3.44Å; Y159-I163 VanDerWaalsContact O-N 3.12Å; Q160-I163 WeakPolarHBondContact O-CA 3.25Å; Q160-I163 WeakPolarHBondContact O-CB 3.21Å; Q160-I163 PolarHBondContact O-N 3.48Å; Q160-I163 VanDerWaalsContact O-N 3.09Å; I163-A166 PolarHBondContact O-N 2.97Å; I163-K167 WeakPolarHBondContact O-CG 3.38Å; I163-K167 PolarHBondContact O-N 3.23Å; I163-I175 VanDerWaalsContact CA-CD1 3.5Å; I163-I175 HydrophobicContact CB-CD1 4.19Å; I163-I175 HydrophobicContact CG1-CD1 3.71Å
164D96.7Very high96.5Very high35 Ų3546 Ų4619%0.18725%0.248CC..Hα-helixtrans-66.8-40.1-178.6-68-22.5000111.8W91 I94 Q160 S161 I162 A166 K167 C168W91-D164 HydrophobicContact CZ2-CB 4.23Å; I94-D164 HydrophobicContact CB-CB 4.22Å; I94-D164 HydrophobicContact CD1-CB 4.24Å; I94-D164 WeakPolarHBondContact CD1-O 3.34Å; Q160-D164 PolarHBondContact NE2-OD1 3.13Å; Q160-D164 VanDerWaalsContact NE2-OD1 3.14Å; Q160-D164 PolarHBondContact O-N 3.16Å; S161-D164 PolarHBondContact O-N 3.32Å; I162-D164 VanDerWaalsContact C-N 3.32Å; D164-A166 PolarHBondContact O-N 3.34Å; D164-K167 WeakPolarHBondContact O-CB 3.3Å; D164-K167 PolarHBondContact O-N 3.49Å; D164-K167 IonicContact OD1-NZ 3.33Å; D164-K167 PolarHBondContact OD1-NZ 2.67Å; D164-C168 PolarHBondContact O-N 2.86Å
165L96.6Very high96.5Very high1 Ų147 Ų471%0.00525%0.252CS..Hα-helixtrans-58.9-45.2171.1174.862.3000111.9W91 F100 I129 I132 A133 L136 S161 I162 K167 C168 F169W91-L165 HydrophobicContact CB-CD1 4.44Å; W91-L165 HydrophobicContact CD2-CB 4.44Å; W91-L165 HydrophobicContact CD2-CD1 3.83Å; W91-L165 HydrophobicContact CE3-CD1 4.49Å; W91-L165 HydrophobicContact CG-CD1 3.78Å; W91-L165 HydrophobicContact CH2-CB 4.18Å; W91-L165 HydrophobicContact CZ2-CB 3.86Å; F100-L165 HydrophobicContact CE1-CD1 4.31Å; I129-L165 HydrophobicContact CD1-CB 4.18Å; I129-L165 HydrophobicContact CD1-CD2 3.62Å; I129-L165 HydrophobicContact CG1-CD2 4.37Å; I132-L165 HydrophobicContact CB-CD2 4.5Å; I132-L165 HydrophobicContact CG2-CD2 4.05Å; A133-L165 HydrophobicContact CB-CD1 3.58Å; A133-L165 HydrophobicContact CB-CD2 3.82Å; A133-L165 HydrophobicContact CB-CG 4.37Å; L136-L165 HydrophobicContact CD1-CD2 4.05Å; L136-L165 HydrophobicContact CD1-CG 4.41Å; S161-L165 WeakPolarHBondContact O-CB 3.41Å; S161-L165 PolarHBondContact O-N 3.2Å; I162-L165 PolarHBondContact O-N 3.1Å; L165-K167 VanDerWaalsContact C-N 3.29Å; L165-K167 PolarHBondContact O-N 2.97Å; L165-C168 VanDerWaalsContact O-CB 3.25Å; L165-C168 WeakPolarHBondContact O-CB 3.39Å; L165-C168 PolarHBondContact O-N 3.33Å; L165-C168 VanDerWaalsContact O-N 3.08Å; L165-F169 HydrophobicContact CD1-CE2 3.93Å; L165-F169 HydrophobicContact CG-CE2 4.27Å; L165-F169 VanDerWaalsContact O-CD2 3.31Å; L165-F169 WeakPolarHBondContact O-CD2 3.42Å
166A96.6Very high96.5Very high10 Ų1044.1 Ų44.18%0.08323%0.232CC..Hα-helixtrans-63.8-33.718000000112.7I162 I163 D164 C168 F169 I173 I175I162-A166 WeakPolarHBondContact O-CB 3.37Å; I162-A166 PolarHBondContact O-N 3.04Å; I163-A166 PolarHBondContact O-N 2.97Å; D164-A166 PolarHBondContact O-N 3.34Å; A166-C168 PolarHBondContact O-N 3.48Å; A166-F169 PolarHBondContact O-N 2.79Å; A166-I173 HydrophobicContact CB-CB 4.42Å; A166-I173 HydrophobicContact CB-CG2 3.96Å; A166-I175 HydrophobicContact CB-CD1 3.64Å; A166-I175 HydrophobicContact CB-CG1 4.33Å
167K95.5Very high96.5Very high128 Ų12844.8 Ų44.856%0.55723%0.232SC*.Hα-helixtrans-61.6-26.9173.6-70.1171.4-171.7158.40112.9I94 I163 D164 L165 F169I94-K167 HydrophobicContact CD1-CB 3.7Å; I94-K167 HydrophobicContact CD1-CD 4.13Å; I163-K167 WeakPolarHBondContact O-CG 3.38Å; I163-K167 PolarHBondContact O-N 3.23Å; D164-K167 WeakPolarHBondContact O-CB 3.3Å; D164-K167 PolarHBondContact O-N 3.49Å; D164-K167 IonicContact OD1-NZ 3.33Å; D164-K167 PolarHBondContact OD1-NZ 2.67Å; L165-K167 VanDerWaalsContact C-N 3.29Å; L165-K167 PolarHBondContact O-N 2.97Å; K167-F169 PolarHBondContact O-N 3.23Å
168C93.7Very high96.6Very high8 Ų840.9 Ų40.95%0.05421%0.212CC..THydrogen-bonded Turntrans-62.6-24172.6-63.30000112.3W91 C97 R101 D164 L165 A166W91-C168 PolarHBondContact NE1-SG 2.86Å; C97-C168 VanDerWaalsContact CA-SG 3.51Å; C97-C168 HydrophobicContact CB-CB 3.6Å; C97-C168 WeakPolarHBondContact CB-SG 3.23Å; C97-C168 WeakPolarHBondContact SG-CA 3.33Å; C97-C168 WeakPolarHBondContact SG-CB 3.42Å; C97-C168 CovalentContact SG-SG 2.03Å; C97-C168 PolarHBondContact SG-SG 3.46Å; R101-C168 WeakPolarHBondContact CD-O 3.3Å; R101-C168 PolarHBondContact NH1-O 3.16Å; D164-C168 PolarHBondContact O-N 2.86Å; L165-C168 VanDerWaalsContact O-CB 3.25Å; L165-C168 WeakPolarHBondContact O-CB 3.39Å; L165-C168 PolarHBondContact O-N 3.33Å; L165-C168 VanDerWaalsContact O-N 3.08Å; A166-C168 PolarHBondContact O-N 3.48Å
169F93.2Very high96.5Very high16 Ų1643.1 Ų43.17%0.0723%0.232CC..SBendtrans-92.4-106.4-174.2-68.3-83.8000112.8F100 R101 L136 R137 Y140 L165 A166 K167 I173F100-F169 HydrophobicContact CE1-CE2 4.23Å; F100-F169 AromaticContact CE1-CZ 3.76Å; F100-F169 HydrophobicContact CE1-CZ 3.76Å; R101-F169 PolarHBondContact NH1-O 2.74Å; L136-F169 HydrophobicContact CB-CE1 4.47Å; L136-F169 HydrophobicContact CB-CE2 3.98Å; L136-F169 HydrophobicContact CB-CZ 3.73Å; L136-F169 HydrophobicContact CD1-CE2 4.24Å; R137-F169 HydrophobicContact CB-CZ 4.45Å; Y140-F169 AromaticContact CD1-CD1 3.91Å; Y140-F169 HydrophobicContact CD1-CD1 3.91Å; Y140-F169 HydrophobicContact CD1-CE1 4.46Å; Y140-F169 HydrophobicContact CD2-CB 4.14Å; Y140-F169 AromaticContact CD2-CD1 3.59Å; Y140-F169 HydrophobicContact CD2-CD1 3.59Å; Y140-F169 HydrophobicContact CD2-CE1 4.33Å; Y140-F169 HydrophobicContact CD2-CG 4.15Å; Y140-F169 HydrophobicContact CE1-CD1 4.31Å; Y140-F169 HydrophobicContact CE2-CB 3.8Å; Y140-F169 HydrophobicContact CE2-CD1 4.02Å; Y140-F169 HydrophobicContact CE2-CG 4.3Å; Y140-F169 AromaticContact CG-CD1 3.52Å; Y140-F169 HydrophobicContact CG-CD1 3.52Å; Y140-F169 AromaticContact CG-CE1 3.97Å; Y140-F169 HydrophobicContact CG-CE1 3.97Å; Y140-F169 HydrophobicContact CG-CG 4.5Å; L165-F169 HydrophobicContact CD1-CE2 3.93Å; L165-F169 HydrophobicContact CG-CE2 4.27Å; L165-F169 VanDerWaalsContact O-CD2 3.31Å; L165-F169 WeakPolarHBondContact O-CD2 3.42Å; A166-F169 PolarHBondContact O-N 2.79Å; K167-F169 PolarHBondContact O-N 3.23Å; F169-I173 HydrophobicContact CB-CD1 3.45Å; F169-I173 VanDerWaalsContact CB-CD1 3.45Å; F169-I173 HydrophobicContact CB-CG1 4.2Å; F169-I173 HydrophobicContact CD1-CD1 4.49Å; F169-I173 HydrophobicContact CD2-CD1 3.83Å; F169-I173 HydrophobicContact CG-CD1 3.68Å
170G90Very high96.5Very high27 Ų2746 Ų4628%0.27825%0.247SC..  trans-158.5172.8-176.400000110.9N172 I173G170-N172 PolarHBondContact O-N 3.44Å; G170-I173 PolarHBondContact O-N 3.07Å
171T94.6Very high96.5Very high130 Ų13042.5 Ų42.580%0.79823%0.23SC*.THydrogen-bonded Turntrans-68.7-2.7-17757.90000114I173T171-I173 VanDerWaalsContact C-N 3.28Å
172N97.3Very high96.5Very high9 Ų941.2 Ų41.25%0.04822%0.221CC..THydrogen-bonded Turntrans-85.66.3174.266.1-49.6000113.7Y140 R141 P142 N144 Y146 G170 I208Y140-N172 WeakPolarHBondContact CE2-ND2 3.45Å; Y140-N172 WeakPolarHBondContact CE2-OD1 3.46Å; Y140-N172 PolarHBondContact OH-OD1 3.34Å; R141-N172 PolarHBondContact O-ND2 3.07Å; P142-N172 PolarHBondContact O-ND2 2.95Å; N144-N172 WeakPolarHBondContact O-CB 3.33Å; N144-N172 PolarHBondContact O-ND2 3.44Å; Y146-N172 PolarHBondContact N-O 2.83Å; G170-N172 PolarHBondContact O-N 3.44Å; N172-I208 HydrophobicContact CB-CD1 3.49Å; N172-I208 VanDerWaalsContact CB-CD1 3.49Å
173I98.2Very high96.5Very high16 Ų1643.8 Ų43.88%0.08224%0.239CC..EExtended strand (participates in β ladder)trans-106.9115.1167.5-51.9-166.3000109.3L136 Y140 Y146 I148 A166 F169 G170 T171L136-I173 HydrophobicContact CD2-CD1 4.4Å; Y140-I173 HydrophobicContact CD2-CD1 4.23Å; Y140-I173 HydrophobicContact CE2-CD1 4.31Å; Y140-I173 HydrophobicContact CE2-CG1 4.32Å; Y146-I173 HydrophobicContact CD2-CG1 4.06Å; Y146-I173 HydrophobicContact CG-CG1 4.19Å; I148-I173 HydrophobicContact CD1-CG2 3.54Å; I148-I173 HydrophobicContact CG1-CG2 3.95Å; A166-I173 HydrophobicContact CB-CB 4.42Å; A166-I173 HydrophobicContact CB-CG2 3.96Å; F169-I173 HydrophobicContact CB-CD1 3.45Å; F169-I173 VanDerWaalsContact CB-CD1 3.45Å; F169-I173 HydrophobicContact CB-CG1 4.2Å; F169-I173 HydrophobicContact CD1-CD1 4.49Å; F169-I173 HydrophobicContact CD2-CD1 3.83Å; F169-I173 HydrophobicContact CG-CD1 3.68Å; G170-I173 PolarHBondContact O-N 3.07Å; T171-I173 VanDerWaalsContact C-N 3.28Å
174E97.8Very high96.6Very high43 Ų4343.2 Ų43.220%0.20124%0.237CC..EExtended strand (participates in β ladder)trans-103.9128.7178.8-64.9173160.900109.6L145 Y146 C147 I148 I201 N205L145-E174 HydrophobicContact CD1-CG 4.45Å; Y146-E174 PolarHBondContact O-N 2.9Å; C147-E174 CarbonylContact C-O 3.58Å; C147-E174 VanDerWaalsContact CA-O 3.26Å; C147-E174 WeakPolarHBondContact CA-O 3.08Å; I148-E174 PolarHBondContact N-O 3.14Å; E174-I201 HydrophobicContact CB-CG2 4.46Å; E174-I201 VanDerWaalsContact OE2-CG2 3.23Å; E174-I201 WeakPolarHBondContact OE2-CG2 3.27Å; E174-N205 PolarHBondContact OE1-ND2 2.76Å
175I98.3Very high96.6Very high39 Ų3947.1 Ų47.120%0.225%0.253CS..EExtended strand (participates in β ladder)trans-105131.3176.5-61.9170.7000108.5I148 Y159 I162 I163 A166 Q177I148-I175 HydrophobicContact CB-CG1 4.3Å; Y159-I175 HydrophobicContact CE2-CG2 3.89Å; I162-I175 HydrophobicContact CG2-CD1 4.07Å; I163-I175 VanDerWaalsContact CA-CD1 3.5Å; I163-I175 HydrophobicContact CB-CD1 4.19Å; I163-I175 HydrophobicContact CG1-CD1 3.71Å; A166-I175 HydrophobicContact CB-CD1 3.64Å; A166-I175 HydrophobicContact CB-CG1 4.33Å; I175-Q177 PolarHBondContact O-N 3.2Å
176I98.3Very high96.5Very high0 Ų053.8 Ų53.80%028%0.278CS..  trans-63.9124.8173.8-60.3-160.4000109I148 H149 Y159 R178 Q180 K197 C198 I201I148-I176 PolarHBondContact O-N 3.07Å; H149-I176 HydrophobicContact CB-CD1 3.93Å; H149-I176 HydrophobicContact CB-CG1 4.36Å; Y159-I176 PolarHBondContact OH-O 3.21Å; I176-R178 PolarHBondContact O-N 2.79Å; I176-Q180 HydrophobicContact CG2-CB 3.96Å; I176-K197 HydrophobicContact CD1-CB 3.63Å; I176-C198 HydrophobicContact CD1-CB 4.34Å; I176-I201 HydrophobicContact CD1-CD1 4.21Å; I176-I201 HydrophobicContact CG1-CD1 3.87Å
177Q97.8Very high96.4Very high116 Ų11653.3 Ų53.354%0.54227%0.274SS..  trans-54.6139.9179-64.3-174.133.500110.9I175 S179 Q180 S181I175-Q177 PolarHBondContact O-N 3.2Å; Q177-S179 PolarHBondContact O-N 3.21Å; Q177-S179 VanDerWaalsContact O-N 3.1Å; Q177-Q180 HydrophobicContact CB-CG 4.48Å; Q177-Q180 CarbonylContact O-C 3.57Å; Q177-Q180 WeakPolarHBondContact O-CA 3.4Å; Q177-Q180 PolarHBondContact O-N 2.99Å; Q177-S181 PolarHBondContact O-N 3.04Å
178R97.5Very high96.5Very high53 Ų5349.5 Ų49.520%0.226%0.256CS..THydrogen-bonded Turntrans-52.2-37.7-178.3-169.162.2168.1170.14.9113.5D151 R152 T154 N156 Y159 I176 Q180 S181D151-R178 PolarHBondContact O-NH1 2.95Å; R152-R178 PolarHBondContact O-NH2 3.34Å; T154-R178 PolarHBondContact O-NH2 3.46Å; T154-R178 PolarHBondContact OG1-NH1 2.93Å; N156-R178 PolarHBondContact OD1-NE 3.32Å; N156-R178 PolarHBondContact OD1-NH2 3.05Å; Y159-R178 HydrophobicContact CD1-CB 4.45Å; Y159-R178 HydrophobicContact CE1-CB 3.94Å; Y159-R178 HydrophobicContact CE2-CB 4.25Å; Y159-R178 PolarHBondContact OH-N 3.26Å; I176-R178 PolarHBondContact O-N 2.79Å; R178-Q180 VanDerWaalsContact C-N 3.29Å; R178-Q180 PolarHBondContact O-N 3.46Å; R178-S181 PolarHBondContact O-N 2.91Å
179S97Very high96.7Very high83 Ų8349.3 Ų49.358%0.5825%0.254SS*.THydrogen-bonded Turntrans-62.5-33.5176.954.20000113.2R152 Q177R152-S179 PolarHBondContact NH1-O 2.84Å; Q177-S179 PolarHBondContact O-N 3.21Å; Q177-S179 VanDerWaalsContact O-N 3.1Å
180Q97.5Very high97Very high94 Ų9449.6 Ų49.644%0.43926%0.258SS..THydrogen-bonded Turntrans-93.5-10.7-179-62.5177-13.700113.3I176 Q177 R178 K197I176-Q180 HydrophobicContact CG2-CB 3.96Å; Q177-Q180 HydrophobicContact CB-CG 4.48Å; Q177-Q180 CarbonylContact O-C 3.57Å; Q177-Q180 WeakPolarHBondContact O-CA 3.4Å; Q177-Q180 PolarHBondContact O-N 2.99Å; R178-Q180 VanDerWaalsContact C-N 3.29Å; R178-Q180 PolarHBondContact O-N 3.46Å; Q180-K197 WeakPolarHBondContact O-CD 3.43Å; Q180-K197 VanDerWaalsContact O-CE 3.31Å; Q180-K197 WeakPolarHBondContact O-CE 3.4Å
181S97.9Very high97.4Very high5 Ų549.2 Ų49.24%0.03525%0.251CS..  trans-63.7153.8175.2-179.90000111.7H149 V150 R152 Q177 R178H149-S181 PolarHBondContact NE2-OG 2.96Å; V150-S181 PolarHBondContact O-OG 3.05Å; R152-S181 PolarHBondContact N-OG 3.41Å; R152-S181 PolarHBondContact NH1-O 3.27Å; R152-S181 VanDerWaalsContact NH1-O 3.12Å; Q177-S181 PolarHBondContact O-N 3.04Å; R178-S181 PolarHBondContact O-N 2.91Å
182V97.7Very high97.6Very high14 Ų1443 Ų439%0.08521%0.213CC..  trans-117.2143.7-174.7-30.80000108.7H149 R152 V184 S190 D193 K197H149-V182 PolarHBondContact CE1-O 2.83Å; H149-V182 PolarHBondContact NE2-N 3.25Å; H149-V182 VanDerWaalsContact NE2-N 3.16Å; R152-V182 VanDerWaalsContact CB-C 3.46Å; R152-V182 WeakPolarHBondContact CB-O 3.12Å; R152-V182 PolarHBondContact N-O 3.29Å; V182-V184 HydrophobicContact CG2-CG2 3.67Å; V182-V184 PolarHBondContact O-N 3.21Å; V182-S190 WeakPolarHBondContact CG2-O 3.32Å; V182-D193 WeakPolarHBondContact CG1-OD2 3.45Å; V182-K197 HydrophobicContact CG1-CD 3.7Å
183S98.1Very high97.6Very high54 Ų5444.2 Ų44.238%0.37822%0.219SC..  trans-73.6102.6167.2-71.60000108.7D151 N153 K185 S190D151-S183 WeakPolarHBondContact OD1-CA 3.3Å; N153-S183 WeakPolarHBondContact OD1-CB 3.2Å; N153-S183 PolarHBondContact OD1-OG 2.87Å; S183-K185 PolarHBondContact O-N 3.21Å; S183-S190 VanDerWaalsContact O-CB 3.31Å; S183-S190 WeakPolarHBondContact O-CB 3.35Å; S183-S190 PolarHBondContact O-OG 3.31Å
184V97.9Very high97.6Very high27 Ų2743.5 Ų43.516%0.16422%0.216CC..  trans-75.7127.5-175.4-177.70000109T124 D151 N153 V182 V191T124-V184 HydrophobicContact CG2-CG2 4.25Å; D151-V184 HydrophobicContact CB-CB 4.5Å; D151-V184 HydrophobicContact CB-CG2 4.3Å; D151-V184 PolarHBondContact OD1-N 3.46Å; D151-V184 WeakPolarHBondContact OD2-CB 3.34Å; N153-V184 PolarHBondContact ND2-O 3.12Å; V182-V184 HydrophobicContact CG2-CG2 3.67Å; V182-V184 PolarHBondContact O-N 3.21Å; V184-V191 HydrophobicContact CG1-CG2 3.92Å
185K97.1Very high97.6Very high116 Ų11641.6 Ų41.650%0.50421%0.207SC..  trans-132.5118.1178.7-168.4-179.3-178.4-172.90108.8S183 G187 Y188 S190 V191S183-K185 PolarHBondContact O-N 3.21Å; K185-G187 PolarHBondContact O-N 2.67Å; K185-Y188 HydrophobicContact CB-CD2 4.02Å; K185-Y188 HydrophobicContact CD-CD2 3.55Å; K185-Y188 HydrophobicContact CD-CE2 3.48Å; K185-Y188 VanDerWaalsContact CD-CE2 3.48Å; K185-Y188 HydrophobicContact CD-CG 4.24Å; K185-Y188 HydrophobicContact CG-CD2 3.59Å; K185-Y188 HydrophobicContact CG-CE2 3.86Å; K185-Y188 HydrophobicContact CG-CG 4.47Å; K185-Y188 PolarHBondContact NZ-OH 2.99Å; K185-Y188 PolarHBondContact O-N 3.42Å; K185-S190 PolarHBondContact N-OG 2.77Å; K185-V191 WeakPolarHBondContact O-CG2 3.38Å
186W95Very high97.7Very high142 Ų14240.1 Ų40.154%0.53820%0.199SC..THydrogen-bonded Turntrans-56.5132-178179.974.6000111.7Y188 M302 I304W186-Y188 WeakPolarHBondContact O-CD2 3.42Å; W186-M302 HydrophobicContact CE3-CE 3.47Å; W186-M302 VanDerWaalsContact CE3-CE 3.47Å; W186-M302 HydrophobicContact CH2-CE 4.07Å; W186-M302 HydrophobicContact CZ3-CE 3.18Å; W186-I304 HydrophobicContact CH2-CD1 4.35Å; W186-I304 HydrophobicContact CZ2-CD1 4.31Å
187G94.4Very high97.7Very high0 Ų043.1 Ų43.10%021%0.212CC..THydrogen-bonded Turntrans83.95.8178.700000116.1K185 M302 K303 I304K185-G187 PolarHBondContact O-N 2.67Å; G187-M302 CarbonylContact O-C 3.43Å; G187-M302 WeakPolarHBondContact O-CA 3.32Å; G187-K303 PolarHBondContact O-N 3.31Å; G187-I304 WeakPolarHBondContact O-CA 3.06Å; G187-I304 PolarHBondContact O-N 3Å
188Y97.9Very high97.7Very high47 Ų4737.6 Ų37.618%0.18419%0.187CC..SBendtrans-115.9171.1174.4-63.7-97.6000110.9K185 W186 S190 V191 Q299 H300 M302K185-Y188 HydrophobicContact CB-CD2 4.02Å; K185-Y188 HydrophobicContact CD-CD2 3.55Å; K185-Y188 HydrophobicContact CD-CE2 3.48Å; K185-Y188 VanDerWaalsContact CD-CE2 3.48Å; K185-Y188 HydrophobicContact CD-CG 4.24Å; K185-Y188 HydrophobicContact CG-CD2 3.59Å; K185-Y188 HydrophobicContact CG-CE2 3.86Å; K185-Y188 HydrophobicContact CG-CG 4.47Å; K185-Y188 PolarHBondContact NZ-OH 2.99Å; K185-Y188 PolarHBondContact O-N 3.42Å; W186-Y188 WeakPolarHBondContact O-CD2 3.42Å; Y188-S190 PolarHBondContact O-N 2.84Å; Y188-S190 VanDerWaalsContact O-N 3.09Å; Y188-V191 PolarHBondContact O-N 3.39Å; Y188-Q299 WeakPolarHBondContact CD1-O 3.44Å; Y188-H300 WeakPolarHBondContact CE1-O 3.38Å; Y188-M302 HydrophobicContact CD2-CG 4.43Å; Y188-M302 HydrophobicContact CE1-CB 4.06Å; Y188-M302 HydrophobicContact CE2-CB 4.03Å; Y188-M302 HydrophobicContact CE2-CG 3.96Å; Y188-M302 HydrophobicContact CE2-SD 4.5Å
189F98.3Very high97.8Very high4 Ų435.2 Ų35.22%0.01818%0.178CC..Hα-helixtrans-57.5-25.1-178.2-172.7-98.3000114.2V191 L192 D193 L196 L295 R296 Q299 P305F189-V191 PolarHBondContact O-N 2.93Å; F189-L192 HydrophobicContact CD2-CD2 4.37Å; F189-L192 HydrophobicContact CE2-CD2 3.96Å; F189-L192 PolarHBondContact O-N 3.15Å; F189-D193 HydrophobicContact CD1-CB 3.95Å; F189-D193 HydrophobicContact CE1-CB 3.81Å; F189-D193 PolarHBondContact O-N 3.11Å; F189-L196 HydrophobicContact CZ-CD1 4.35Å; F189-L295 HydrophobicContact CD2-CB 3.89Å; F189-L295 HydrophobicContact CE2-CB 3.86Å; F189-R296 HydrophobicContact CD1-CG 4.43Å; F189-R296 HydrophobicContact CE1-CB 4.28Å; F189-R296 HydrophobicContact CE1-CG 4.13Å; F189-R296 HydrophobicContact CE2-CB 4.32Å; F189-R296 HydrophobicContact CZ-CB 4.11Å; F189-R296 HydrophobicContact CZ-CG 4.43Å; F189-Q299 HydrophobicContact CB-CB 3.62Å; F189-Q299 HydrophobicContact CG-CB 4.25Å; F189-P305 VanDerWaalsContact CA-CG 3.48Å; F189-P305 HydrophobicContact CB-CG 4.14Å; F189-P305 HydrophobicContact CD2-CB 4.47Å; F189-P305 HydrophobicContact CD2-CG 4.19Å
190S98.3Very high97.9Very high22 Ų2234.5 Ų34.515%0.15417%0.165CC..Hα-helixtrans-63-23.6-177.555.80000114.6V182 S183 K185 Y188 S194V182-S190 WeakPolarHBondContact CG2-O 3.32Å; S183-S190 VanDerWaalsContact O-CB 3.31Å; S183-S190 WeakPolarHBondContact O-CB 3.35Å; S183-S190 PolarHBondContact O-OG 3.31Å; K185-S190 PolarHBondContact N-OG 2.77Å; Y188-S190 PolarHBondContact O-N 2.84Å; Y188-S190 VanDerWaalsContact O-N 3.09Å; S190-S194 PolarHBondContact O-N 3.12Å; S190-S194 VanDerWaalsContact O-N 3.13Å
191V98.1Very high97.9Very high19 Ų1932.4 Ų32.412%0.11516%0.156CC..Hα-helixtrans-67.3-43.1171.7179.80000111.2V184 K185 Y188 F189 S194 F270 D306V184-V191 HydrophobicContact CG1-CG2 3.92Å; K185-V191 WeakPolarHBondContact O-CG2 3.38Å; Y188-V191 PolarHBondContact O-N 3.39Å; F189-V191 PolarHBondContact O-N 2.93Å; V191-S194 PolarHBondContact O-OG 3.24Å; V191-F270 HydrophobicContact CG1-CD1 3.95Å; V191-F270 HydrophobicContact CG1-CE1 3.62Å; V191-F270 HydrophobicContact CG1-CZ 4.19Å; V191-F270 WeakPolarHBondContact O-CZ 3.32Å; V191-D306 HydrophobicContact CB-CB 4.22Å; V191-D306 HydrophobicContact CG1-CB 3.95Å
192L98.5Very high97.9Very high0 Ų032.1 Ų32.10%016%0.155CC..Hα-helixtrans-70.3-42.6175.9178.757.4000110.5F189 S194 F195 L196 F270 L292 L295 D306 F309 F310F189-L192 HydrophobicContact CD2-CD2 4.37Å; F189-L192 HydrophobicContact CE2-CD2 3.96Å; F189-L192 PolarHBondContact O-N 3.15Å; L192-S194 PolarHBondContact O-N 3.12Å; L192-F195 PolarHBondContact O-N 3.31Å; L192-L196 HydrophobicContact CD1-CD1 4.26Å; L192-L196 HydrophobicContact CD1-CD2 4.34Å; L192-L196 HydrophobicContact CD1-CG 4.04Å; L192-L196 HydrophobicContact CD2-CD1 4.35Å; L192-L196 HydrophobicContact CG-CD1 3.81Å; L192-L196 HydrophobicContact CG-CG 4.07Å; L192-L196 WeakPolarHBondContact O-CG 3.15Å; L192-L196 PolarHBondContact O-N 2.63Å; L192-F270 HydrophobicContact CD1-CE2 3.92Å; L192-L292 HydrophobicContact CD2-CD2 4.14Å; L192-L295 HydrophobicContact CD2-CD1 4.26Å; L192-D306 HydrophobicContact CB-CB 4.1Å; L192-F309 HydrophobicContact CD1-CD1 4.02Å; L192-F309 HydrophobicContact CD2-CB 3.69Å; L192-F309 HydrophobicContact CD2-CD1 4.01Å; L192-F309 HydrophobicContact CD2-CG 3.89Å; L192-F310 HydrophobicContact CD1-CE2 3.81Å; L192-F310 HydrophobicContact CD1-CZ 3.77Å
193D98.4Very high97.9Very high35 Ų3532.2 Ų32.219%0.18716%0.155CC..Hα-helixtrans-60.8-39.8-177.5-165.230.1000112.7V182 F189 F195 L196 K197V182-D193 WeakPolarHBondContact CG1-OD2 3.45Å; F189-D193 HydrophobicContact CD1-CB 3.95Å; F189-D193 HydrophobicContact CE1-CB 3.81Å; F189-D193 PolarHBondContact O-N 3.11Å; D193-F195 VanDerWaalsContact C-N 3.29Å; D193-F195 PolarHBondContact O-N 2.89Å; D193-L196 PolarHBondContact O-N 2.87Å; D193-K197 VanDerWaalsContact O-CG 3.31Å; D193-K197 WeakPolarHBondContact O-CG 3.3Å; D193-K197 PolarHBondContact O-N 2.61Å; D193-K197 IonicContact OD1-NZ 2.78Å; D193-K197 VanDerWaalsContact OD2-CE 3.23Å; D193-K197 WeakPolarHBondContact OD2-CE 3.27Å; D193-K197 IonicContact OD2-NZ 3.75Å
194S98.2Very high97.9Very high1 Ų134.9 Ų34.91%0.00716%0.164CC..Hα-helixtrans-58.4-42.3176.667.20000112.1T124 S190 V191 L192 C198T124-S194 PolarHBondContact OG1-OG 3.26Å; S190-S194 PolarHBondContact O-N 3.12Å; S190-S194 VanDerWaalsContact O-N 3.13Å; V191-S194 PolarHBondContact O-OG 3.24Å; L192-S194 PolarHBondContact O-N 3.12Å; S194-C198 PolarHBondContact O-N 2.88Å
195F98.6Very high97.9Very high2 Ų234.4 Ų34.41%0.00916%0.161CC..Hα-helixtrans-74.1-38.3178.2-178.2-120.2000112.7A122 L192 D193 K197 C198 T199 V213 N215 F270 V272 L274 F310A122-F195 HydrophobicContact CB-CD2 3.46Å; A122-F195 VanDerWaalsContact CB-CD2 3.46Å; A122-F195 HydrophobicContact CB-CE2 3.51Å; L192-F195 PolarHBondContact O-N 3.31Å; D193-F195 VanDerWaalsContact C-N 3.29Å; D193-F195 PolarHBondContact O-N 2.89Å; F195-K197 PolarHBondContact O-N 3.38Å; F195-C198 PolarHBondContact O-N 3.2Å; F195-T199 HydrophobicContact CD1-CG2 4.48Å; F195-T199 HydrophobicContact CD2-CG2 4.1Å; F195-T199 HydrophobicContact CE1-CG2 4.09Å; F195-T199 HydrophobicContact CE2-CG2 3.67Å; F195-T199 HydrophobicContact CG-CG2 4.49Å; F195-T199 HydrophobicContact CZ-CG2 3.67Å; F195-T199 WeakPolarHBondContact O-CG2 3.38Å; F195-T199 PolarHBondContact O-N 3.47Å; F195-T199 PolarHBondContact O-OG1 3.49Å; F195-V213 HydrophobicContact CE2-CG2 4.21Å; F195-V213 HydrophobicContact CZ-CG1 4.2Å; F195-N215 HydrophobicContact CD2-CB 3.67Å; F195-N215 HydrophobicContact CE2-CB 3.66Å; F195-N215 HydrophobicContact CG-CB 4.27Å; F195-N215 HydrophobicContact CZ-CB 4.25Å; F195-F270 HydrophobicContact CB-CE2 4.21Å; F195-F270 HydrophobicContact CB-CZ 3.61Å; F195-F270 AromaticContact CD1-CE2 4Å; F195-F270 HydrophobicContact CD1-CE2 4Å; F195-F270 HydrophobicContact CD1-CZ 4.16Å; F195-F270 HydrophobicContact CG-CE2 4.39Å; F195-F270 HydrophobicContact CG-CZ 4.07Å; F195-V272 HydrophobicContact CE1-CG2 4.07Å; F195-V272 HydrophobicContact CZ-CG2 4.16Å; F195-L274 HydrophobicContact CE1-CD1 3.8Å; F195-L274 HydrophobicContact CZ-CD1 4.1Å; F195-F310 AromaticContact CD1-CE2 3.63Å; F195-F310 HydrophobicContact CD1-CE2 3.63Å; F195-F310 AromaticContact CD1-CZ 3.51Å; F195-F310 HydrophobicContact CD1-CZ 3.51Å; F195-F310 HydrophobicContact CE1-CE1 4.45Å; F195-F310 AromaticContact CE1-CE2 3.62Å; F195-F310 HydrophobicContact CE1-CE2 3.62Å; F195-F310 AromaticContact CE1-CZ 3.46Å; F195-F310 HydrophobicContact CE1-CZ 3.46Å; F195-F310 VanDerWaalsContact CE1-CZ 3.46Å
196L98.8Very high97.8Very high8 Ų835 Ų354%0.04217%0.174CC..Hα-helixtrans-61.4-43.2174.2-69.4177.8000111.6F189 L192 D193 C198 T199 Q200 V282 H283 L292 F309 F310F189-L196 HydrophobicContact CZ-CD1 4.35Å; L192-L196 HydrophobicContact CD1-CD1 4.26Å; L192-L196 HydrophobicContact CD1-CD2 4.34Å; L192-L196 HydrophobicContact CD1-CG 4.04Å; L192-L196 HydrophobicContact CD2-CD1 4.35Å; L192-L196 HydrophobicContact CG-CD1 3.81Å; L192-L196 HydrophobicContact CG-CG 4.07Å; L192-L196 WeakPolarHBondContact O-CG 3.15Å; L192-L196 PolarHBondContact O-N 2.63Å; D193-L196 PolarHBondContact O-N 2.87Å; L196-C198 PolarHBondContact O-N 3.04Å; L196-T199 WeakPolarHBondContact CA-OG1 3.47Å; L196-T199 PolarHBondContact O-N 3.32Å; L196-T199 PolarHBondContact O-OG1 3.46Å; L196-Q200 WeakPolarHBondContact O-CB 3.23Å; L196-Q200 PolarHBondContact O-N 3.27Å; L196-V282 HydrophobicContact CD2-CG1 3.7Å; L196-H283 PolarHBondContact O-CE1 2.87Å; L196-H283 VanDerWaalsContact O-CE1 3.28Å; L196-L292 HydrophobicContact CD1-CD1 4.21Å; L196-L292 HydrophobicContact CD1-CD2 3.55Å; L196-F309 HydrophobicContact CD2-CE1 4.39Å; L196-F310 HydrophobicContact CD2-CZ 4.44Å
197K98.7Very high97.9Very high64 Ų6436.4 Ų36.428%0.27819%0.185SC..Hα-helixtrans-61.6-43.6175.4-70179.8-173.6-56.10111.8I176 Q180 V182 D193 F195 Q200 I201I176-K197 HydrophobicContact CD1-CB 3.63Å; Q180-K197 WeakPolarHBondContact O-CD 3.43Å; Q180-K197 VanDerWaalsContact O-CE 3.31Å; Q180-K197 WeakPolarHBondContact O-CE 3.4Å; V182-K197 HydrophobicContact CG1-CD 3.7Å; D193-K197 VanDerWaalsContact O-CG 3.31Å; D193-K197 WeakPolarHBondContact O-CG 3.3Å; D193-K197 PolarHBondContact O-N 2.61Å; D193-K197 IonicContact OD1-NZ 2.78Å; D193-K197 VanDerWaalsContact OD2-CE 3.23Å; D193-K197 WeakPolarHBondContact OD2-CE 3.27Å; D193-K197 IonicContact OD2-NZ 3.75Å; F195-K197 PolarHBondContact O-N 3.38Å; K197-Q200 PolarHBondContact O-N 3.26Å; K197-I201 WeakPolarHBondContact O-CG1 3.29Å; K197-I201 PolarHBondContact O-N 3.39Å
198C98.8Very high98Very high0 Ų037.6 Ų37.60%019%0.19CC..Hα-helixtrans-61.9-49176.6-97.10000112.1A122 C147 I176 S194 F195 L196 Q200 I201 M202A122-C198 HydrophobicContact CB-CB 3.82Å; C147-C198 HydrophobicContact CB-CB 3.61Å; C147-C198 WeakPolarHBondContact CB-SG 3.26Å; C147-C198 WeakPolarHBondContact SG-CA 3.41Å; C147-C198 WeakPolarHBondContact SG-CB 3.39Å; C147-C198 CovalentContact SG-SG 2.05Å; C147-C198 PolarHBondContact SG-SG 3.06Å; I176-C198 HydrophobicContact CD1-CB 4.34Å; S194-C198 PolarHBondContact O-N 2.88Å; F195-C198 PolarHBondContact O-N 3.2Å; L196-C198 PolarHBondContact O-N 3.04Å; C198-Q200 VanDerWaalsContact C-N 3.3Å; C198-Q200 PolarHBondContact O-N 3.15Å; C198-I201 PolarHBondContact O-N 2.87Å; C198-M202 WeakPolarHBondContact O-CB 3.2Å; C198-M202 WeakPolarHBondContact O-CG 3.43Å; C198-M202 PolarHBondContact O-N 2.83Å
199T98.7Very high97.9Very high3 Ų339.3 Ų39.32%0.01820%0.2CC..Hα-helixtrans-65.5-32.6-178.752.30000113.1F195 L196 M202 L203 V213 V279 H283F195-T199 HydrophobicContact CD1-CG2 4.48Å; F195-T199 HydrophobicContact CD2-CG2 4.1Å; F195-T199 HydrophobicContact CE1-CG2 4.09Å; F195-T199 HydrophobicContact CE2-CG2 3.67Å; F195-T199 HydrophobicContact CG-CG2 4.49Å; F195-T199 HydrophobicContact CZ-CG2 3.67Å; F195-T199 WeakPolarHBondContact O-CG2 3.38Å; F195-T199 PolarHBondContact O-N 3.47Å; F195-T199 PolarHBondContact O-OG1 3.49Å; L196-T199 WeakPolarHBondContact CA-OG1 3.47Å; L196-T199 PolarHBondContact O-N 3.32Å; L196-T199 PolarHBondContact O-OG1 3.46Å; T199-M202 PolarHBondContact O-N 2.95Å; T199-L203 WeakPolarHBondContact O-CG 3.48Å; T199-L203 PolarHBondContact O-N 2.43Å; T199-V213 HydrophobicContact CG2-CG1 4.02Å; T199-V213 HydrophobicContact CG2-CG2 4.29Å; T199-V279 HydrophobicContact CG2-CG1 4.09Å; T199-H283 PolarHBondContact OG1-NE2 3.44Å
200Q98.4Very high97.9Very high68 Ų6839.1 Ų39.132%0.31820%0.199SC..Hα-helixtrans-62.9-47173.1-178.862.558.700112.1L196 K197 C198 M202 L203 N204 H283L196-Q200 WeakPolarHBondContact O-CB 3.23Å; L196-Q200 PolarHBondContact O-N 3.27Å; K197-Q200 PolarHBondContact O-N 3.26Å; C198-Q200 VanDerWaalsContact C-N 3.3Å; C198-Q200 PolarHBondContact O-N 3.15Å; Q200-M202 VanDerWaalsContact C-N 3.34Å; Q200-L203 PolarHBondContact O-N 2.94Å; Q200-N204 PolarHBondContact O-N 3.05Å; Q200-H283 PolarHBondContact OE1-ND1 2.71Å
201I97.5Very high97.9Very high49 Ų4942.2 Ų42.225%0.25121%0.21SC..Hα-helixtrans-62.9-46.1176.7-63.8169.7000109.6E174 I176 K197 C198 L203 N204 N205E174-I201 HydrophobicContact CB-CG2 4.46Å; E174-I201 VanDerWaalsContact OE2-CG2 3.23Å; E174-I201 WeakPolarHBondContact OE2-CG2 3.27Å; I176-I201 HydrophobicContact CD1-CD1 4.21Å; I176-I201 HydrophobicContact CG1-CD1 3.87Å; K197-I201 WeakPolarHBondContact O-CG1 3.29Å; K197-I201 PolarHBondContact O-N 3.39Å; C198-I201 PolarHBondContact O-N 2.87Å; I201-L203 VanDerWaalsContact C-N 3.29Å; I201-L203 PolarHBondContact O-N 2.86Å; I201-N204 PolarHBondContact O-N 3.47Å; I201-N205 PolarHBondContact O-N 2.94Å
202M98.5Very high98Very high0 Ų041.5 Ų41.50%021%0.205CC..Hα-helixtrans-63.3-31.3179.8-69.4177.371.500113.5A122 L145 C147 C198 T199 Q200 N204 W210 V213 R276A122-M202 HydrophobicContact CB-SD 4.47Å; L145-M202 HydrophobicContact CB-CE 4.15Å; L145-M202 HydrophobicContact CD2-CB 3.8Å; L145-M202 HydrophobicContact CD2-CE 4.17Å; L145-M202 HydrophobicContact CD2-CG 3.85Å; L145-M202 HydrophobicContact CG-CE 4.09Å; L145-M202 HydrophobicContact CG-CG 4.2Å; C147-M202 HydrophobicContact CB-CG 3.74Å; C147-M202 HydrophobicContact CB-SD 3.67Å; C198-M202 WeakPolarHBondContact O-CB 3.2Å; C198-M202 WeakPolarHBondContact O-CG 3.43Å; C198-M202 PolarHBondContact O-N 2.83Å; T199-M202 PolarHBondContact O-N 2.95Å; Q200-M202 VanDerWaalsContact C-N 3.34Å; M202-N204 VanDerWaalsContact C-N 3.33Å; M202-W210 HydrophobicContact CB-CZ2 4.29Å; M202-W210 HydrophobicContact CE-CG 4.43Å; M202-W210 PolarHBondContact O-NE1 3.17Å; M202-V213 HydrophobicContact CE-CB 4.47Å; M202-V213 HydrophobicContact CE-CG2 3.81Å; M202-V213 HydrophobicContact SD-CG2 3.97Å; M202-R276 PolarHBondContact O-NH1 3.05Å
203L98.4Very high98Very high16 Ų1641.5 Ų41.58%0.08421%0.205CC..Hα-helixtrans-65.7-38.3172.7-81.7-180000111.7T199 Q200 I201 N205 W210 R276 V279 H283T199-L203 WeakPolarHBondContact O-CG 3.48Å; T199-L203 PolarHBondContact O-N 2.43Å; Q200-L203 PolarHBondContact O-N 2.94Å; I201-L203 VanDerWaalsContact C-N 3.29Å; I201-L203 PolarHBondContact O-N 2.86Å; L203-N205 VanDerWaalsContact C-N 3.26Å; L203-N205 PolarHBondContact O-N 2.72Å; L203-W210 HydrophobicContact CD2-CH2 4.31Å; L203-W210 HydrophobicContact CD2-CZ2 3.84Å; L203-W210 HydrophobicContact CG-CZ2 4.26Å; L203-R276 HydrophobicContact CD2-CG 3.95Å; L203-R276 PolarHBondContact O-NH2 3.19Å; L203-V279 HydrophobicContact CD1-CG1 3.95Å; L203-V279 HydrophobicContact CD2-CG1 4.25Å; L203-V279 HydrophobicContact CG-CG1 3.98Å; L203-H283 HydrophobicContact CD1-CB 4.4Å
204N97.1Very high98Very high109 Ų10939.9 Ų39.958%0.58320%0.197SC*.Hα-helixtrans-77.5-9.3-178.2-67.6-10.8000113.5Q200 I201 M202 T206Q200-N204 PolarHBondContact O-N 3.05Å; I201-N204 PolarHBondContact O-N 3.47Å; M202-N204 VanDerWaalsContact C-N 3.33Å; N204-T206 PolarHBondContact O-N 3.39Å
205N97.4Very high98Very high18 Ų1840.3 Ų40.310%0.09620%0.199CC..  trans-65.6120.8175.4-169.9-63.2000110.7L145 E174 I201 L203 K207 I208 Q209L145-N205 WeakPolarHBondContact CD1-ND2 3.49Å; L145-N205 HydrophobicContact CD2-CB 3.62Å; E174-N205 PolarHBondContact OE1-ND2 2.76Å; I201-N205 PolarHBondContact O-N 2.94Å; L203-N205 VanDerWaalsContact C-N 3.26Å; L203-N205 PolarHBondContact O-N 2.72Å; N205-K207 WeakPolarHBondContact OD1-CA 3.35Å; N205-K207 PolarHBondContact OD1-N 3.33Å; N205-I208 PolarHBondContact OD1-N 3.4Å; N205-Q209 PolarHBondContact O-NE2 2.77Å; N205-Q209 VanDerWaalsContact O-NE2 3.15Å
206T95.5Very high98Very high127 Ų12740.4 Ų40.478%0.77920%0.199SC*.SBendtrans-89.6-17.9-178.154.80000113.3N204N204-T206 PolarHBondContact O-N 3.39Å
207K96.5Very high97.8Very high173 Ų17341.3 Ų41.375%0.75220%0.204SC*.SBendtrans-85.2-41.1-175.8-64.1-178.3179.5178.20112.6N205N205-K207 WeakPolarHBondContact OD1-CA 3.35Å; N205-K207 PolarHBondContact OD1-N 3.33Å
208I97.2Very high97.6Very high24 Ų2438.8 Ų38.812%0.12320%0.196CC..  trans-120.4109.6-174.3-63.6170.1000109.9P118 Y143 L145 N172 N205 W210P118-I208 HydrophobicContact CB-CG2 3.8Å; P118-I208 HydrophobicContact CG-CG2 4.35Å; Y143-I208 WeakPolarHBondContact O-CG2 3.22Å; L145-I208 HydrophobicContact CB-CB 4.31Å; L145-I208 HydrophobicContact CB-CG2 3.87Å; L145-I208 HydrophobicContact CD1-CD1 4.42Å; N172-I208 HydrophobicContact CB-CD1 3.49Å; N172-I208 VanDerWaalsContact CB-CD1 3.49Å; N205-I208 PolarHBondContact OD1-N 3.4Å; I208-W210 PolarHBondContact O-N 3.15Å
209Q96.5Very high97.4Very high84 Ų8439.2 Ų39.239%0.39320%0.198SC..  trans-90.876.3175.6-62.2-59.1-43.500110.4N205 R276N205-Q209 PolarHBondContact O-NE2 2.77Å; N205-Q209 VanDerWaalsContact O-NE2 3.15Å; Q209-R276 VanDerWaalsContact OE1-CZ 3.23Å
210W98.4Very high97.4Very high0 Ų039 Ų390%020%0.197CC..  trans-59.6150.9176.558.7-91.5000112.8P118 M202 L203 I208 V213 R276 V279P118-W210 CarbonylContact O-C 3.43Å; P118-W210 VanDerWaalsContact O-CA 3.24Å; P118-W210 WeakPolarHBondContact O-CA 3.28Å; M202-W210 HydrophobicContact CB-CZ2 4.29Å; M202-W210 HydrophobicContact CE-CG 4.43Å; M202-W210 PolarHBondContact O-NE1 3.17Å; L203-W210 HydrophobicContact CD2-CH2 4.31Å; L203-W210 HydrophobicContact CD2-CZ2 3.84Å; L203-W210 HydrophobicContact CG-CZ2 4.26Å; I208-W210 PolarHBondContact O-N 3.15Å; W210-V213 HydrophobicContact CE3-CB 4.02Å; W210-V213 HydrophobicContact CH2-CB 4.06Å; W210-V213 HydrophobicContact CH2-CG1 3.81Å; W210-V213 HydrophobicContact CZ3-CB 3.7Å; W210-V213 HydrophobicContact CZ3-CG1 3.71Å; W210-R276 VanDerWaalsContact CE2-NH1 3.26Å; W210-R276 HydrophobicContact CE3-CB 3.93Å; W210-R276 HydrophobicContact CE3-CG 4.35Å; W210-R276 HydrophobicContact CH2-CB 3.94Å; W210-R276 HydrophobicContact CH2-CG 3.94Å; W210-R276 HydrophobicContact CZ2-CG 4.11Å; W210-R276 HydrophobicContact CZ3-CB 3.6Å; W210-R276 HydrophobicContact CZ3-CG 4.07Å; W210-R276 WeakPolarHBondContact O-CD 3.31Å; W210-V279 HydrophobicContact CH2-CB 3.81Å; W210-V279 HydrophobicContact CH2-CG1 3.96Å; W210-V279 HydrophobicContact CH2-CG2 3.83Å; W210-V279 HydrophobicContact CZ2-CG1 4.38Å; W210-V279 HydrophobicContact CZ3-CG2 4.39Å
211K98.6Very high97.3Very high87 Ų8735.8 Ų35.838%0.37818%0.182SC..SBendtrans-101.4-39.6-174.3-58-57.5-179.9-176.90112.7Y117 P118 R275 R276Y117-K211 HydrophobicContact CD1-CB 3.89Å; Y117-K211 HydrophobicContact CD1-CG 4.01Å; Y117-K211 HydrophobicContact CD2-CB 4.31Å; Y117-K211 HydrophobicContact CD2-CG 3.84Å; Y117-K211 HydrophobicContact CE1-CB 3.5Å; Y117-K211 HydrophobicContact CE1-CG 4.06Å; Y117-K211 HydrophobicContact CE2-CB 3.95Å; Y117-K211 HydrophobicContact CE2-CG 3.87Å; Y117-K211 HydrophobicContact CG-CB 4.29Å; Y117-K211 HydrophobicContact CG-CG 3.92Å; P118-K211 PolarHBondContact O-N 2.85Å; K211-R275 CarbonylContact O-C 3.49Å; K211-R275 WeakPolarHBondContact O-CA 3.26Å; K211-R276 PolarHBondContact O-N 3.25Å
212Y98.9Very high97.3Very high4 Ų433.5 Ų33.52%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-133.9147.1174.2-84.2-100.7000110.5Y117 G120 L233 L236 G238 A239 A273 L274 R275Y117-Y212 HydrophobicContact CE1-CD2 4.16Å; Y117-Y212 WeakPolarHBondContact OH-CD2 3.38Å; Y117-Y212 WeakPolarHBondContact OH-CE2 3.08Å; G120-Y212 WeakPolarHBondContact CA-O 3.32Å; G120-Y212 PolarHBondContact N-O 3.49Å; Y212-L233 HydrophobicContact CD1-CD2 3.76Å; Y212-L233 HydrophobicContact CD2-CB 4.18Å; Y212-L233 HydrophobicContact CD2-CD2 4.42Å; Y212-L233 HydrophobicContact CE1-CD2 4.23Å; Y212-L233 HydrophobicContact CE2-CB 4.49Å; Y212-L233 HydrophobicContact CG-CB 4.42Å; Y212-L233 HydrophobicContact CG-CD1 4.33Å; Y212-L233 HydrophobicContact CG-CD2 3.87Å; Y212-L233 HydrophobicContact CG-CG 4.44Å; Y212-L236 HydrophobicContact CE1-CD1 4.35Å; Y212-G238 WeakPolarHBondContact OH-CA 3.46Å; Y212-A239 WeakPolarHBondContact CE1-O 3.37Å; Y212-A239 PolarHBondContact OH-O 2.67Å; Y212-A273 HydrophobicContact CD1-CB 4.46Å; Y212-L274 CarbonylContact C-O 3.5Å; Y212-L274 WeakPolarHBondContact CA-O 3.4Å; Y212-L274 VanDerWaalsContact CD1-C 3.42Å; Y212-R275 HydrophobicContact CD1-CB 4.2Å; Y212-R275 HydrophobicContact CD2-CB 4.44Å; Y212-R275 HydrophobicContact CE1-CB 3.73Å; Y212-R275 HydrophobicContact CE2-CB 3.99Å
213V98.8Very high97.3Very high0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-118.7139.4172.1650000111G120 A122 F195 T199 M202 W210 A273 L274 V279G120-V213 VanDerWaalsContact O-CA 3.27Å; G120-V213 WeakPolarHBondContact O-CA 3.35Å; A122-V213 HydrophobicContact CB-CG2 4.26Å; F195-V213 HydrophobicContact CE2-CG2 4.21Å; F195-V213 HydrophobicContact CZ-CG1 4.2Å; T199-V213 HydrophobicContact CG2-CG1 4.02Å; T199-V213 HydrophobicContact CG2-CG2 4.29Å; M202-V213 HydrophobicContact CE-CB 4.47Å; M202-V213 HydrophobicContact CE-CG2 3.81Å; M202-V213 HydrophobicContact SD-CG2 3.97Å; W210-V213 HydrophobicContact CE3-CB 4.02Å; W210-V213 HydrophobicContact CH2-CB 4.06Å; W210-V213 HydrophobicContact CH2-CG1 3.81Å; W210-V213 HydrophobicContact CZ3-CB 3.7Å; W210-V213 HydrophobicContact CZ3-CG1 3.71Å; V213-A273 WeakPolarHBondContact O-CA 3.25Å; V213-L274 HydrophobicContact CG1-CB 4.09Å; V213-L274 PolarHBondContact N-O 2.05Å; V213-L274 PolarHBondContact O-N 3.27Å; V213-V279 HydrophobicContact CG1-CG2 3.71Å
214M98.8Very high97.3Very high0 Ų033.1 Ų33.10%017%0.167CC..EExtended strand (participates in β ladder)trans-124.7136.5176.5-72.1169.2-76.500110.2L119 G120 F121 A122 L229 L233 V272 A273 F378 F379L119-M214 HydrophobicContact CD1-CE 4.04Å; G120-M214 PolarHBondContact O-N 3.39Å; F121-M214 WeakPolarHBondContact CA-O 3.39Å; F121-M214 HydrophobicContact CD1-CB 4.4Å; F121-M214 HydrophobicContact CD1-CE 4.21Å; F121-M214 HydrophobicContact CE1-CE 3.51Å; F121-M214 HydrophobicContact CZ-CE 4.06Å; A122-M214 PolarHBondContact N-O 2.88Å; M214-L229 HydrophobicContact CE-CD1 4.37Å; M214-L229 HydrophobicContact SD-CD2 4.5Å; M214-L233 HydrophobicContact CE-CD1 4.05Å; M214-V272 WeakPolarHBondContact CA-O 3.38Å; M214-A273 HydrophobicContact CG-CB 3.55Å; M214-A273 HydrophobicContact SD-CB 4.15Å; M214-F378 HydrophobicContact SD-CD2 4.02Å; M214-F379 HydrophobicContact SD-CE2 3.85Å
215N98.2Very high97.3Very high10 Ų1028 Ų285%0.05314%0.14CC..EExtended strand (participates in β ladder)trans-84.7130.1174.862.2-49.6000111.7A122 F195 F270 V272 R343A122-N215 CarbonylContact O-C 3.57Å; A122-N215 WeakPolarHBondContact O-CA 3.12Å; F195-N215 HydrophobicContact CD2-CB 3.67Å; F195-N215 HydrophobicContact CE2-CB 3.66Å; F195-N215 HydrophobicContact CG-CB 4.27Å; F195-N215 HydrophobicContact CZ-CB 4.25Å; N215-F270 VanDerWaalsContact CG-O 3.24Å; N215-F270 WeakPolarHBondContact ND2-CD1 3.37Å; N215-F270 WeakPolarHBondContact ND2-CE1 3.34Å; N215-F270 PolarHBondContact ND2-O 3.26Å; N215-F270 PolarHBondContact OD1-O 3.44Å; N215-F270 VanDerWaalsContact OD1-O 3.07Å; N215-V272 WeakPolarHBondContact OD1-CG2 3.12Å; N215-V272 PolarHBondContact OD1-N 3.38Å; N215-V272 PolarHBondContact OD1-O 3.23Å; N215-R343 PolarHBondContact O-NH2 2.83Å
216I97.6Very high97.3Very high4 Ų427.5 Ų27.52%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-130.9146.2-173.6-61.9-175.4000110F121 A122 F123 T124 L135 L139 E220 F379F121-I216 HydrophobicContact CB-CD1 4.4Å; F121-I216 HydrophobicContact CD1-CD1 3.36Å; F121-I216 HydrophobicContact CD1-CG1 4.39Å; F121-I216 HydrophobicContact CE1-CD1 3.96Å; F121-I216 HydrophobicContact CG-CD1 4.25Å; A122-I216 PolarHBondContact O-N 2.85Å; F123-I216 CarbonylContact C-O 3.42Å; F123-I216 VanDerWaalsContact CA-O 3.3Å; F123-I216 WeakPolarHBondContact CA-O 3.25Å; F123-I216 HydrophobicContact CD1-CB 4.46Å; F123-I216 HydrophobicContact CD1-CG2 4.24Å; F123-I216 HydrophobicContact CE1-CB 4.42Å; F123-I216 HydrophobicContact CE1-CG2 3.94Å; F123-I216 HydrophobicContact CZ-CG2 4.32Å; T124-I216 PolarHBondContact N-O 3.16Å; L135-I216 HydrophobicContact CD2-CG2 3.57Å; L135-I216 HydrophobicContact CG-CG2 4.35Å; L139-I216 HydrophobicContact CD1-CD1 3.56Å; I216-E220 WeakPolarHBondContact CA-OE2 3.36Å; I216-F379 HydrophobicContact CD1-CD1 4.48Å; I216-F379 HydrophobicContact CD1-CE1 3.57Å; I216-F379 HydrophobicContact CD1-CE2 4.34Å; I216-F379 HydrophobicContact CD1-CZ 3.51Å; I216-F379 HydrophobicContact CG1-CE1 4.38Å; I216-F379 HydrophobicContact CG1-CZ 4.35Å
217N94.8Very high97.3Very high28 Ų2822.5 Ų22.515%0.1510%0.104CC..EExtended strand (participates in β ladder)trans-128166.1168.771.172.4000112.2L135 K219 E220L135-N217 WeakPolarHBondContact CD2-O 3.05Å; N217-K219 PolarHBondContact O-N 3.27Å; N217-K219 WeakPolarHBondContact OD1-CA 3.41Å; N217-K219 VanDerWaalsContact OD1-CB 3.23Å; N217-K219 WeakPolarHBondContact OD1-CB 3.32Å; N217-K219 PolarHBondContact OD1-N 2.8Å; N217-E220 PolarHBondContact N-OE2 3.17Å; N217-E220 PolarHBondContact ND2-OE2 2.65Å; N217-E220 PolarHBondContact O-N 2.85Å; N217-E220 VanDerWaalsContact O-N 3.16Å
218G94.4Very high97.4Very high10 Ų1014.3 Ų14.310%0.1037%0.069CC..THydrogen-bonded Turntrans-67.83-176.400000116.6
219K96.2Very high97.5Very high9 Ų913.1 Ų13.14%0.0396%0.063CC..THydrogen-bonded Turntrans-102.92.9175.1-53.5-69.5175.4-176.30112.8E127 N217 K382 F383E127-K219 WeakPolarHBondContact OE1-CE 2.84Å; E127-K219 IonicContact OE1-NZ 2.86Å; E127-K219 PolarHBondContact OE1-NZ 3.47Å; N217-K219 PolarHBondContact O-N 3.27Å; N217-K219 WeakPolarHBondContact OD1-CA 3.41Å; N217-K219 VanDerWaalsContact OD1-CB 3.23Å; N217-K219 WeakPolarHBondContact OD1-CB 3.32Å; N217-K219 PolarHBondContact OD1-N 2.8Å; K219-K382 HydrophobicContact CB-CB 4.25Å; K219-K382 HydrophobicContact CB-CG 4.33Å; K219-K382 WeakPolarHBondContact O-CA 3.45Å; K219-F383 WeakPolarHBondContact CD-O 3.48Å; K219-F383 PolarHBondContact O-N 2.89Å
220E97.5Very high97.5Very high0 Ų09.1 Ų9.10%04%0.044CC..EExtended strand (participates in β ladder)trans-108156.8-178.6-56.4-177.595.900111I216 N217 R343 A380 N381I216-E220 WeakPolarHBondContact CA-OE2 3.36Å; N217-E220 PolarHBondContact N-OE2 3.17Å; N217-E220 PolarHBondContact ND2-OE2 2.65Å; N217-E220 PolarHBondContact O-N 2.85Å; N217-E220 VanDerWaalsContact O-N 3.16Å; E220-R343 WeakPolarHBondContact OE1-CG 3.42Å; E220-R343 IonicContact OE1-NE 2.67Å; E220-R343 PolarHBondContact OE1-NE 2.96Å; E220-A380 WeakPolarHBondContact CA-O 3.48Å; E220-N381 HydrophobicContact CG-CB 4.04Å
221L97.2Very high97.5Very high0 Ų011.8 Ų11.80%06%0.056CC..EExtended strand (participates in β ladder)trans-139.8141.6168.6-155.866.5000109.1L135 I138 F379 A380 F383 Y392 L395 E396L135-L221 HydrophobicContact CD1-CD1 4.07Å; I138-L221 HydrophobicContact CD1-CD1 3.58Å; I138-L221 HydrophobicContact CD1-CG 4.43Å; L221-F379 CarbonylContact O-C 3.54Å; L221-F379 VanDerWaalsContact O-CA 3.3Å; L221-F379 WeakPolarHBondContact O-CA 3.37Å; L221-A380 PolarHBondContact N-O 3.28Å; L221-A380 PolarHBondContact O-N 3.39Å; L221-F383 HydrophobicContact CB-CD2 4.3Å; L221-F383 HydrophobicContact CB-CE2 3.93Å; L221-Y392 HydrophobicContact CB-CE2 4.44Å; L221-Y392 HydrophobicContact CD1-CD2 4.41Å; L221-Y392 HydrophobicContact CD1-CE1 3.85Å; L221-Y392 HydrophobicContact CD1-CE2 3.71Å; L221-Y392 WeakPolarHBondContact CD1-OH 3.28Å; L221-Y392 HydrophobicContact CD2-CD1 4.32Å; L221-Y392 HydrophobicContact CD2-CD2 4.42Å; L221-Y392 HydrophobicContact CD2-CE1 4.42Å; L221-Y392 HydrophobicContact CD2-CG 4.35Å; L221-Y392 WeakPolarHBondContact CD2-O 3.32Å; L221-Y392 HydrophobicContact CG-CE2 4.46Å; L221-L395 HydrophobicContact CB-CD2 4Å; L221-L395 HydrophobicContact CD2-CB 3.66Å; L221-L395 HydrophobicContact CD2-CD2 3.79Å; L221-L395 HydrophobicContact CD2-CG 3.74Å; L221-L395 HydrophobicContact CG-CD2 4.35Å; L221-E396 HydrophobicContact CD2-CB 4.23Å
222P97.8Very high97.5Very high0 Ų07.6 Ų7.60%04%0.038CC..EExtended strand (participates in β ladder)trans-61143.5173.423.5-33.4000111.3I138 L139 R224 F378 F379 V399I138-P222 HydrophobicContact CG2-CG 3.62Å; L139-P222 HydrophobicContact CD2-CB 4.11Å; L139-P222 HydrophobicContact CD2-CG 3.92Å; L139-P222 HydrophobicContact CG-CG 4.35Å; P222-R224 WeakPolarHBondContact CB-O 3.14Å; P222-F378 CarbonylContact C-O 3.6Å; P222-F378 WeakPolarHBondContact CA-O 3.36Å; P222-F379 VanDerWaalsContact CA-CD1 3.46Å; P222-F379 HydrophobicContact CB-CD1 4Å; P222-F379 HydrophobicContact CB-CE1 3.79Å; P222-F379 HydrophobicContact CG-CE1 4.43Å; P222-V399 VanDerWaalsContact O-CG2 3.27Å; P222-V399 WeakPolarHBondContact O-CG2 2.97Å
223L98.3Very high97.5Very high0 Ų07.4 Ų7.40%04%0.037CC..SBendtrans-98.1-4.4161.4-63.2178.8000111.3L372 R375 E377 F378 A380 L395 W398 K402L223-L372 HydrophobicContact CD1-CD2 4.29Å; L223-L372 HydrophobicContact CD2-CB 4.05Å; L223-L372 HydrophobicContact CD2-CD2 4.2Å; L223-R375 HydrophobicContact CD1-CB 3.85Å; L223-E377 WeakPolarHBondContact CB-O 3.26Å; L223-E377 HydrophobicContact CD1-CB 4.32Å; L223-F378 PolarHBondContact N-O 2.93Å; L223-A380 HydrophobicContact CD1-CB 4.13Å; L223-A380 HydrophobicContact CD2-CB 3.93Å; L223-A380 HydrophobicContact CG-CB 3.99Å; L223-L395 HydrophobicContact CD2-CD1 3.72Å; L223-L395 HydrophobicContact CD2-CD2 3.79Å; L223-L395 HydrophobicContact CD2-CG 4.28Å; L223-W398 HydrophobicContact CB-CZ3 4.46Å; L223-W398 HydrophobicContact CD2-CZ3 4.37Å; L223-W398 WeakPolarHBondContact O-CZ3 3.48Å; L223-K402 PolarHBondContact O-NZ 3.16Å
224R97.8Very high97.5Very high8 Ų812 Ų123%0.036%0.056CC..SBendtrans-127138.9-175.5-62.7-61.3-179.8-107.721.6111.4P222 E228 L229 R375 Q376 F378 Y421P222-R224 WeakPolarHBondContact CB-O 3.14Å; R224-E228 WeakPolarHBondContact CA-OE2 3.5Å; R224-E228 HydrophobicContact CB-CB 3.97Å; R224-E228 WeakPolarHBondContact CD-OE2 3.46Å; R224-E228 HydrophobicContact CG-CB 4.46Å; R224-L229 HydrophobicContact CB-CD2 3.78Å; R224-L229 HydrophobicContact CB-CG 3.83Å; R224-L229 HydrophobicContact CG-CD2 4.41Å; R224-R375 VanDerWaalsContact CZ-O 3.23Å; R224-R375 PolarHBondContact NH1-O 2.78Å; R224-R375 VanDerWaalsContact NH1-O 3.07Å; R224-R375 PolarHBondContact NH2-O 3.22Å; R224-Q376 VanDerWaalsContact NH2-CA 3.3Å; R224-F378 HydrophobicContact CG-CD1 4.37Å; R224-F378 PolarHBondContact N-O 3.28Å; R224-Y421 PolarHBondContact NE-OH 2.92Å; R224-Y421 VanDerWaalsContact NE-OH 3.14Å
225T96.6Very high97.5Very high2 Ų213 Ų131%0.0127%0.065CC..  trans-66.1166.6168.271.70000109.6W227 E228 L229 K402 M403 E406T225-W227 VanDerWaalsContact C-N 3.26Å; T225-W227 PolarHBondContact O-N 3.06Å; T225-W227 PolarHBondContact OG1-N 2.88Å; T225-E228 PolarHBondContact N-OE2 2.88Å; T225-E228 PolarHBondContact O-N 2.91Å; T225-E228 WeakPolarHBondContact OG1-CB 3.48Å; T225-E228 VanDerWaalsContact OG1-CG 3.32Å; T225-E228 WeakPolarHBondContact OG1-CG 3.35Å; T225-E228 PolarHBondContact OG1-N 3.39Å; T225-E228 VanDerWaalsContact OG1-N 3.08Å; T225-L229 VanDerWaalsContact O-CG 3.32Å; T225-L229 WeakPolarHBondContact O-CG 3.45Å; T225-L229 PolarHBondContact O-N 3.47Å; T225-K402 HydrophobicContact CG2-CB 3.68Å; T225-M403 HydrophobicContact CG2-CG 3.73Å; T225-E406 WeakPolarHBondContact CB-OE1 3.33Å; T225-E406 WeakPolarHBondContact CB-OE2 3.49Å; T225-E406 WeakPolarHBondContact CG2-OE1 3.23Å; T225-E406 VanDerWaalsContact OG1-CD 3.3Å; T225-E406 PolarHBondContact OG1-OE1 3.41Å; T225-E406 PolarHBondContact OG1-OE2 3.05Å
226N96.9Very high97.5Very high7 Ų712.5 Ų12.54%0.0376%0.062CC..Hα-helixtrans-60.7-37.5175.7-173.678.7000112.1E114 R141 N144 L229 I230E114-N226 VanDerWaalsContact OE1-CB 3.29Å; E114-N226 WeakPolarHBondContact OE1-CB 3.38Å; E114-N226 PolarHBondContact OE1-ND2 3.04Å; R141-N226 HydrophobicContact CG-CB 3.98Å; N144-N226 PolarHBondContact ND2-OD1 2.86Å; N226-L229 PolarHBondContact O-N 2.96Å; N226-I230 VanDerWaalsContact ND2-CD1 3.32Å; N226-I230 WeakPolarHBondContact ND2-CD1 3.21Å; N226-I230 WeakPolarHBondContact O-CD1 3.32Å; N226-I230 WeakPolarHBondContact O-CG1 3.36Å; N226-I230 PolarHBondContact O-N 3.21Å
227W97.1Very high97.5Very high22 Ų2218.1 Ų18.18%0.0839%0.093CC..Hα-helixtrans-67.8-43177.9-169.820.2000112.1W109 N111 E113 E114 T225 L229 I230 K231 E406 G410 L412W109-W227 HydrophobicContact CH2-CH2 4.31Å; W109-W227 HydrophobicContact CH2-CZ3 4.09Å; W109-W227 AromaticContact CZ2-CE3 3.82Å; W109-W227 HydrophobicContact CZ2-CE3 3.82Å; W109-W227 HydrophobicContact CZ2-CH2 4.38Å; W109-W227 AromaticContact CZ2-CZ3 3.74Å; W109-W227 HydrophobicContact CZ2-CZ3 3.74Å; N111-W227 WeakPolarHBondContact ND2-CZ2 3.14Å; N111-W227 PolarHBondContact ND2-NE1 2.77Å; E113-W227 PolarHBondContact OE2-NE1 3.29Å; E114-W227 HydrophobicContact CG-CB 4.23Å; E114-W227 HydrophobicContact CG-CG 4.45Å; E114-W227 PolarHBondContact OE1-N 2.88Å; T225-W227 VanDerWaalsContact C-N 3.26Å; T225-W227 PolarHBondContact O-N 3.06Å; T225-W227 PolarHBondContact OG1-N 2.88Å; W227-L229 PolarHBondContact O-N 2.77Å; W227-I230 PolarHBondContact O-N 3Å; W227-K231 WeakPolarHBondContact O-CG 3.28Å; W227-K231 PolarHBondContact O-N 3.24Å; W227-E406 HydrophobicContact CE3-CB 4.04Å; W227-E406 HydrophobicContact CE3-CG 3.87Å; W227-E406 HydrophobicContact CZ3-CB 4.23Å; W227-E406 HydrophobicContact CZ3-CG 4.26Å; W227-G410 WeakPolarHBondContact CH2-O 3.5Å; W227-L412 HydrophobicContact CB-CD2 4.24Å; W227-L412 HydrophobicContact CD2-CD2 3.48Å; W227-L412 VanDerWaalsContact CD2-CD2 3.48Å; W227-L412 HydrophobicContact CD2-CG 4.21Å; W227-L412 HydrophobicContact CE3-CD2 3.63Å; W227-L412 HydrophobicContact CE3-CG 4.18Å; W227-L412 HydrophobicContact CG-CD2 3.77Å; W227-L412 HydrophobicContact CH2-CG 4.42Å; W227-L412 HydrophobicContact CZ2-CG 4.43Å; W227-L412 HydrophobicContact CZ3-CD2 4.23Å; W227-L412 HydrophobicContact CZ3-CG 4.29Å
228E97.9Very high97.6Very high1 Ų117.5 Ų17.51%0.0059%0.092CC..Hα-helixtrans-59.8-43.8172.8-72.3174151.700111.6R224 T225 I230 K231 A232 K402 L412 D413 F416R224-E228 WeakPolarHBondContact CA-OE2 3.5Å; R224-E228 HydrophobicContact CB-CB 3.97Å; R224-E228 WeakPolarHBondContact CD-OE2 3.46Å; R224-E228 HydrophobicContact CG-CB 4.46Å; T225-E228 PolarHBondContact N-OE2 2.88Å; T225-E228 PolarHBondContact O-N 2.91Å; T225-E228 WeakPolarHBondContact OG1-CB 3.48Å; T225-E228 VanDerWaalsContact OG1-CG 3.32Å; T225-E228 WeakPolarHBondContact OG1-CG 3.35Å; T225-E228 PolarHBondContact OG1-N 3.39Å; T225-E228 VanDerWaalsContact OG1-N 3.08Å; E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 3.2Å; E228-K231 PolarHBondContact O-N 3.27Å; E228-A232 WeakPolarHBondContact O-CB 3.47Å; E228-A232 PolarHBondContact O-N 3.15Å; E228-K402 IonicContact OE1-NZ 3.95Å; E228-K402 PolarHBondContact OE1-NZ 2.86Å; E228-K402 IonicContact OE2-NZ 2.83Å; E228-K402 PolarHBondContact OE2-NZ 2.91Å; E228-L412 HydrophobicContact CG-CD2 3.93Å; E228-D413 WeakPolarHBondContact OE1-CB 3.23Å; E228-F416 HydrophobicContact CB-CD1 4.44Å; E228-F416 HydrophobicContact CB-CD2 3.88Å; E228-F416 HydrophobicContact CB-CE1 4.25Å; E228-F416 HydrophobicContact CB-CE2 3.69Å; E228-F416 HydrophobicContact CB-CG 4.25Å; E228-F416 HydrophobicContact CB-CZ 3.9Å; E228-F416 HydrophobicContact CG-CB 4.25Å; E228-F416 HydrophobicContact CG-CD1 4.01Å; E228-F416 HydrophobicContact CG-CD2 3.77Å; E228-F416 HydrophobicContact CG-CE1 4.29Å; E228-F416 HydrophobicContact CG-CE2 4.1Å; E228-F416 HydrophobicContact CG-CG 3.72Å; E228-F416 HydrophobicContact CG-CZ 4.36Å; E228-F416 WeakPolarHBondContact O-CZ 3.39Å
229L98.4Very high97.8Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-57.7-46.9175-71.4171.9000111.2L119 F121 M214 R224 T225 N226 W227 K231 A232 L233 F378 F379L119-L229 HydrophobicContact CD1-CB 3.76Å; L119-L229 HydrophobicContact CD1-CD1 4.28Å; F121-L229 HydrophobicContact CE1-CD1 4.35Å; F121-L229 HydrophobicContact CZ-CD1 4.17Å; M214-L229 HydrophobicContact CE-CD1 4.37Å; M214-L229 HydrophobicContact SD-CD2 4.5Å; R224-L229 HydrophobicContact CB-CD2 3.78Å; R224-L229 HydrophobicContact CB-CG 3.83Å; R224-L229 HydrophobicContact CG-CD2 4.41Å; T225-L229 VanDerWaalsContact O-CG 3.32Å; T225-L229 WeakPolarHBondContact O-CG 3.45Å; T225-L229 PolarHBondContact O-N 3.47Å; N226-L229 PolarHBondContact O-N 2.96Å; W227-L229 PolarHBondContact O-N 2.77Å; L229-K231 PolarHBondContact O-N 3.21Å; L229-A232 PolarHBondContact O-N 2.91Å; L229-L233 VanDerWaalsContact O-CB 3.3Å; L229-L233 WeakPolarHBondContact O-CB 3.4Å; L229-L233 WeakPolarHBondContact O-CD1 3.01Å; L229-L233 WeakPolarHBondContact O-CG 3.13Å; L229-L233 PolarHBondContact O-N 2.86Å; L229-F378 HydrophobicContact CD2-CB 3.59Å; L229-F378 HydrophobicContact CD2-CD1 3.73Å; L229-F378 HydrophobicContact CD2-CD2 4.28Å; L229-F378 HydrophobicContact CD2-CE1 4.48Å; L229-F378 HydrophobicContact CD2-CG 3.61Å; L229-F379 HydrophobicContact CD1-CZ 4.4Å; L229-F379 HydrophobicContact CD2-CE2 4.46Å
230I98.2Very high97.9Very high0 Ų017.1 Ų17.10%09%0.088CC..Hα-helixtrans-61.9-45.2178.1-73.2157000111.4E113 E114 Y117 L119 N226 W227 E228 A232 L233 K234E113-I230 HydrophobicContact CG-CG2 4.01Å; E114-I230 HydrophobicContact CB-CD1 3.79Å; E114-I230 HydrophobicContact CG-CD1 3.6Å; Y117-I230 HydrophobicContact CD1-CB 4.38Å; Y117-I230 HydrophobicContact CD1-CG1 4.06Å; Y117-I230 HydrophobicContact CD1-CG2 3.87Å; Y117-I230 HydrophobicContact CG-CG2 3.93Å; L119-I230 HydrophobicContact CD1-CG1 4.01Å; L119-I230 HydrophobicContact CD2-CG1 4.02Å; L119-I230 HydrophobicContact CG-CG1 3.93Å; N226-I230 VanDerWaalsContact ND2-CD1 3.32Å; N226-I230 WeakPolarHBondContact ND2-CD1 3.21Å; N226-I230 WeakPolarHBondContact O-CD1 3.32Å; N226-I230 WeakPolarHBondContact O-CG1 3.36Å; N226-I230 PolarHBondContact O-N 3.21Å; W227-I230 PolarHBondContact O-N 3Å; E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 3.2Å; I230-A232 VanDerWaalsContact C-N 3.35Å; I230-A232 PolarHBondContact O-N 3.22Å; I230-L233 PolarHBondContact O-N 2.71Å; I230-K234 HydrophobicContact CG2-CD 3.78Å; I230-K234 HydrophobicContact CG2-CG 4.3Å; I230-K234 WeakPolarHBondContact O-CB 3.04Å; I230-K234 VanDerWaalsContact O-CG 3.28Å; I230-K234 WeakPolarHBondContact O-CG 3.3Å; I230-K234 PolarHBondContact O-N 2.8Å
231K98.1Very high97.9Very high55 Ų5517.7 Ų17.724%0.2399%0.091CC..Hα-helixtrans-59.8-46.4177.8-75-70.2-161.2-160.30111.6E113 W227 E228 L229 A235 L412 F416 P418E113-K231 VanDerWaalsContact CD-NZ 3.25Å; E113-K231 IonicContact OE1-NZ 3.04Å; E113-K231 PolarHBondContact OE1-NZ 2.98Å; E113-K231 WeakPolarHBondContact OE2-CE 2.81Å; E113-K231 IonicContact OE2-NZ 2.68Å; E113-K231 PolarHBondContact OE2-NZ 3.21Å; W227-K231 WeakPolarHBondContact O-CG 3.28Å; W227-K231 PolarHBondContact O-N 3.24Å; E228-K231 PolarHBondContact O-N 3.27Å; L229-K231 PolarHBondContact O-N 3.21Å; K231-A235 WeakPolarHBondContact O-CB 3.48Å; K231-A235 PolarHBondContact O-N 2.94Å; K231-L412 HydrophobicContact CB-CD1 4.49Å; K231-L412 HydrophobicContact CD-CD1 4.21Å; K231-L412 HydrophobicContact CG-CD1 3.76Å; K231-L412 HydrophobicContact CG-CD2 4.22Å; K231-F416 HydrophobicContact CB-CE1 3.59Å; K231-F416 HydrophobicContact CB-CZ 3.94Å; K231-F416 HydrophobicContact CG-CE1 4.36Å; K231-P418 HydrophobicContact CB-CG 4.48Å
232A98.6Very high97.9Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-62.2-47.4176.700000111.9E228 L229 I230 K234 A235 L236 F378 F416 Y421E228-A232 WeakPolarHBondContact O-CB 3.47Å; E228-A232 PolarHBondContact O-N 3.15Å; L229-A232 PolarHBondContact O-N 2.91Å; I230-A232 VanDerWaalsContact C-N 3.35Å; I230-A232 PolarHBondContact O-N 3.22Å; A232-K234 PolarHBondContact O-N 2.9Å; A232-A235 WeakPolarHBondContact O-CB 3.2Å; A232-A235 PolarHBondContact O-N 3.45Å; A232-A235 VanDerWaalsContact O-N 3.16Å; A232-L236 WeakPolarHBondContact O-CG 3.43Å; A232-L236 PolarHBondContact O-N 3.02Å; A232-F378 HydrophobicContact CB-CE1 3.57Å; A232-F378 HydrophobicContact CB-CZ 4.09Å; A232-F416 HydrophobicContact CB-CE2 4.42Å; A232-F416 HydrophobicContact CB-CZ 4.05Å; A232-Y421 HydrophobicContact CB-CD1 3.75Å; A232-Y421 HydrophobicContact CB-CD2 3.6Å; A232-Y421 HydrophobicContact CB-CE1 3.8Å; A232-Y421 HydrophobicContact CB-CE2 3.64Å; A232-Y421 HydrophobicContact CB-CG 3.63Å
233L98.7Very high97.6Very high0 Ų018.4 Ų18.40%010%0.097CC..Hα-helixtrans-67.2-35.6-178.1-68.7166.4000112.6Y117 L119 Y212 M214 L229 I230 L236 A273 F378Y117-L233 HydrophobicContact CE1-CB 4.22Å; L119-L233 HydrophobicContact CD1-CD1 4.05Å; L119-L233 HydrophobicContact CD2-CD1 3.53Å; L119-L233 HydrophobicContact CG-CD1 4.46Å; Y212-L233 HydrophobicContact CD1-CD2 3.76Å; Y212-L233 HydrophobicContact CD2-CB 4.18Å; Y212-L233 HydrophobicContact CD2-CD2 4.42Å; Y212-L233 HydrophobicContact CE1-CD2 4.23Å; Y212-L233 HydrophobicContact CE2-CB 4.49Å; Y212-L233 HydrophobicContact CG-CB 4.42Å; Y212-L233 HydrophobicContact CG-CD1 4.33Å; Y212-L233 HydrophobicContact CG-CD2 3.87Å; Y212-L233 HydrophobicContact CG-CG 4.44Å; M214-L233 HydrophobicContact CE-CD1 4.05Å; L229-L233 VanDerWaalsContact O-CB 3.3Å; L229-L233 WeakPolarHBondContact O-CB 3.4Å; L229-L233 WeakPolarHBondContact O-CD1 3.01Å; L229-L233 WeakPolarHBondContact O-CG 3.13Å; L229-L233 PolarHBondContact O-N 2.86Å; I230-L233 PolarHBondContact O-N 2.71Å; L233-L236 HydrophobicContact CD2-CD1 3.87Å; L233-L236 WeakPolarHBondContact O-CB 3.35Å; L233-L236 PolarHBondContact O-N 3.16Å; L233-A273 HydrophobicContact CD2-CB 4.04Å; L233-F378 HydrophobicContact CD2-CE2 3.99Å; L233-F378 HydrophobicContact CD2-CZ 4.12Å; L233-F378 HydrophobicContact CG-CZ 4.48Å
234K98.5Very high97.2Very high95 Ų9518.8 Ų18.841%0.41310%0.099SC..Hα-helixtrans-64.9-40.2171-75.217769.3176.40111.6E113 Y117 I230 A232 L236 N237E113-K234 HydrophobicContact CG-CD 4.43Å; E113-K234 IonicContact OE1-NZ 2.87Å; E113-K234 PolarHBondContact OE1-NZ 2.86Å; Y117-K234 HydrophobicContact CD1-CG 4.39Å; Y117-K234 HydrophobicContact CD2-CD 3.89Å; Y117-K234 HydrophobicContact CD2-CG 3.73Å; Y117-K234 HydrophobicContact CE1-CG 4.15Å; Y117-K234 HydrophobicContact CE2-CD 4.14Å; Y117-K234 HydrophobicContact CE2-CG 3.46Å; Y117-K234 VanDerWaalsContact CE2-CG 3.46Å; Y117-K234 HydrophobicContact CG-CD 4.22Å; Y117-K234 HydrophobicContact CG-CG 4.18Å; I230-K234 HydrophobicContact CG2-CD 3.78Å; I230-K234 HydrophobicContact CG2-CG 4.3Å; I230-K234 WeakPolarHBondContact O-CB 3.04Å; I230-K234 VanDerWaalsContact O-CG 3.28Å; I230-K234 WeakPolarHBondContact O-CG 3.3Å; I230-K234 PolarHBondContact O-N 2.8Å; A232-K234 PolarHBondContact O-N 2.9Å; K234-L236 PolarHBondContact O-N 2.85Å; K234-N237 PolarHBondContact O-N 2.85Å; K234-N237 VanDerWaalsContact O-N 3.12Å
235A98.5Very high96.6Very high21 Ų2120.3 Ų20.317%0.17411%0.11CC..Hα-helixtrans-64.2-21.6177.700000113K231 A232 N237 P418 A422K231-A235 WeakPolarHBondContact O-CB 3.48Å; K231-A235 PolarHBondContact O-N 2.94Å; A232-A235 WeakPolarHBondContact O-CB 3.2Å; A232-A235 PolarHBondContact O-N 3.45Å; A232-A235 VanDerWaalsContact O-N 3.16Å; A235-N237 PolarHBondContact O-N 2.79Å; A235-N237 VanDerWaalsContact O-N 3.09Å; A235-P418 WeakPolarHBondContact CB-O 3.49Å; A235-A422 HydrophobicContact CB-CB 4.1Å; A235-A422 VanDerWaalsContact O-CA 3.23Å; A235-A422 WeakPolarHBondContact O-CA 3.41Å
236L98.4Very high95.4Very high0 Ų026.1 Ų26.10%014%0.139CC..THydrogen-bonded Turntrans-65.4-9.3173-54.6-178.2000114.3Y212 A232 L233 K234 G238 A239 I241 L424 S427Y212-L236 HydrophobicContact CE1-CD1 4.35Å; A232-L236 WeakPolarHBondContact O-CG 3.43Å; A232-L236 PolarHBondContact O-N 3.02Å; L233-L236 HydrophobicContact CD2-CD1 3.87Å; L233-L236 WeakPolarHBondContact O-CB 3.35Å; L233-L236 PolarHBondContact O-N 3.16Å; K234-L236 PolarHBondContact O-N 2.85Å; L236-G238 PolarHBondContact O-N 2.84Å; L236-A239 HydrophobicContact CB-CB 4.34Å; L236-A239 WeakPolarHBondContact O-CB 3.48Å; L236-A239 PolarHBondContact O-N 3.39Å; L236-I241 HydrophobicContact CD1-CD1 3.55Å; L236-I241 HydrophobicContact CD1-CG1 3.49Å; L236-I241 VanDerWaalsContact CD1-CG1 3.49Å; L236-I241 HydrophobicContact CD2-CD1 3.67Å; L236-I241 HydrophobicContact CD2-CG1 4.46Å; L236-I241 HydrophobicContact CG-CD1 4.25Å; L236-L424 HydrophobicContact CD2-CD1 4.04Å; L236-S427 WeakPolarHBondContact CD2-OG 3.2Å
237N97.4Very high94Very high123 Ų12333.9 Ų33.966%0.65817%0.173SC*.THydrogen-bonded Turntrans53.829.1178.1-168.139.7000113.9K234 A235 H430K234-N237 PolarHBondContact O-N 2.85Å; K234-N237 VanDerWaalsContact O-N 3.12Å; A235-N237 PolarHBondContact O-N 2.79Å; A235-N237 VanDerWaalsContact O-N 3.09Å; N237-H430 PolarHBondContact O-CE1 2.88Å; N237-H430 PolarHBondContact O-NE2 2.95Å
238G98.1Very high92.1Very high14 Ų1437.8 Ų37.814%0.14420%0.195CC..THydrogen-bonded Turntrans956.1-178.600000115.6Y212 L236 R275 G323Y212-G238 WeakPolarHBondContact OH-CA 3.46Å; L236-G238 PolarHBondContact O-N 2.84Å; G238-R275 WeakPolarHBondContact O-CD 3.03Å; G238-R275 PolarHBondContact O-NH1 2.88Å; G238-G323 VanDerWaalsContact O-CA 3.23Å; G238-G323 WeakPolarHBondContact O-CA 3.37Å
239A98.2Very high90.6Very high0 Ų038.1 Ų38.10%020%0.199CC..  trans-79.6146.217100000112.9Y212 L236 C426 H430Y212-A239 WeakPolarHBondContact CE1-O 3.37Å; Y212-A239 PolarHBondContact OH-O 2.67Å; L236-A239 HydrophobicContact CB-CB 4.34Å; L236-A239 WeakPolarHBondContact O-CB 3.48Å; L236-A239 PolarHBondContact O-N 3.39Å; A239-C426 VanDerWaalsContact CB-O 3.28Å; A239-C426 WeakPolarHBondContact CB-O 3.31Å; A239-H430 HydrophobicContact CB-CB 4.19Å
240N98.1Very high89.4Confident11 Ų1140.9 Ų40.96%0.05922%0.216CC..  trans-80.3153.5170-58.9-73.5000111.7I242 L274 R275 F278 P322 G323N240-I242 HydrophobicContact CB-CD1 3.71Å; N240-I242 HydrophobicContact CB-CG1 4.02Å; N240-L274 HydrophobicContact CB-CD2 4.37Å; N240-L274 WeakPolarHBondContact OD1-CA 3.27Å; N240-R275 WeakPolarHBondContact OD1-CG 3.44Å; N240-R275 PolarHBondContact OD1-N 3.44Å; N240-F278 VanDerWaalsContact ND2-CD2 3.35Å; N240-F278 WeakPolarHBondContact ND2-CD2 3.3Å; N240-F278 WeakPolarHBondContact OD1-CB 3.24Å; N240-P322 PolarHBondContact ND2-O 3.18Å; N240-G323 PolarHBondContact N-O 3.24Å; N240-G323 VanDerWaalsContact ND2-C 3.26Å; N240-G323 PolarHBondContact ND2-O 3.27Å
241I97.7Very high88.9Confident13 Ų1349.9 Ų49.97%0.06726%0.256CS..BIsolated β-bridgetrans-9998.6165.2-55.7-56.3000109.1L236 V272 A273 F340 V341 F378 L424L236-I241 HydrophobicContact CD1-CD1 3.55Å; L236-I241 HydrophobicContact CD1-CG1 3.49Å; L236-I241 VanDerWaalsContact CD1-CG1 3.49Å; L236-I241 HydrophobicContact CD2-CD1 3.67Å; L236-I241 HydrophobicContact CD2-CG1 4.46Å; L236-I241 HydrophobicContact CG-CD1 4.25Å; I241-V272 WeakPolarHBondContact O-CA 3.3Å; I241-A273 HydrophobicContact CB-CB 3.96Å; I241-A273 HydrophobicContact CG1-CB 4.25Å; I241-A273 PolarHBondContact N-O 3.43Å; I241-A273 PolarHBondContact O-N 3.26Å; I241-F340 HydrophobicContact CG2-CD2 4.07Å; I241-F340 HydrophobicContact CG2-CE2 3.85Å; I241-V341 HydrophobicContact CD1-CG2 3.73Å; I241-V341 HydrophobicContact CG1-CG2 3.96Å; I241-V341 HydrophobicContact CG2-CG2 3.95Å; I241-F378 HydrophobicContact CG1-CE2 4.19Å; I241-L424 HydrophobicContact CD1-CD1 4.16Å
242I96.2Very high88.5Confident7 Ų755.2 Ų55.24%0.03628%0.279CS..  trans-133.2117.4177.6-60.8162.7000107.4N240 V272 L274 F278 F310 A314 Y315N240-I242 HydrophobicContact CB-CD1 3.71Å; N240-I242 HydrophobicContact CB-CG1 4.02Å; I242-V272 HydrophobicContact CB-CG1 4.48Å; I242-V272 HydrophobicContact CG1-CB 4.42Å; I242-V272 HydrophobicContact CG1-CG1 3.97Å; I242-V272 HydrophobicContact CG2-CG1 4.4Å; I242-L274 HydrophobicContact CD1-CD2 3.54Å; I242-L274 HydrophobicContact CG1-CD2 3.59Å; I242-F278 HydrophobicContact CD1-CE1 4.13Å; I242-F278 HydrophobicContact CD1-CE2 4.38Å; I242-F278 HydrophobicContact CD1-CZ 3.85Å; I242-F310 HydrophobicContact CD1-CB 4.18Å; I242-F310 HydrophobicContact CG1-CB 4.47Å; I242-F310 HydrophobicContact CG2-CB 4.17Å; I242-A314 HydrophobicContact CB-CB 4.3Å; I242-A314 HydrophobicContact CD1-CB 3.44Å; I242-A314 VanDerWaalsContact CD1-CB 3.44Å; I242-A314 HydrophobicContact CG1-CB 4.48Å; I242-A314 HydrophobicContact CG2-CB 4.38Å; I242-Y315 PolarHBondContact O-OH 3.43Å; I242-Y315 VanDerWaalsContact O-OH 3.05Å
243G91.2Very high88.2Confident7 Ų757 Ų577%0.07229%0.286CS..  trans-73.6147.5179.300000110.7G268 S269 F340G243-G268 CarbonylContact O-C 3.59Å; G243-G268 WeakPolarHBondContact O-CA 3.36Å; G243-S269 PolarHBondContact O-N 2.03Å; G243-F340 VanDerWaalsContact CA-CD2 3.48Å; G243-F340 VanDerWaalsContact CA-CE2 3.49Å
244C90.7Very high88Confident8 Ų860.1 Ų60.15%0.05430%0.302CS..BIsolated β-bridgetrans-134.1169.8172.564.30000111.9I266 K267 Y315 F328 P331C244-I266 HydrophobicContact CB-CG2 4.03Å; C244-K267 WeakPolarHBondContact CA-O 3.34Å; C244-Y315 HydrophobicContact CB-CD2 3.71Å; C244-Y315 HydrophobicContact CB-CE2 3.37Å; C244-Y315 HydrophobicContact CB-CG 4.45Å; C244-Y315 PolarHBondContact SG-OH 3.48Å; C244-Y315 VanDerWaalsContact SG-OH 3.42Å; C244-F328 HydrophobicContact CB-CE2 3.68Å; C244-F328 HydrophobicContact CB-CZ 4.14Å; C244-P331 WeakPolarHBondContact O-CD 3.29Å
245T86Confident87.8Confident41 Ų4156 Ų5625%0.25229%0.285SS..  trans-146.4141.2174.1-178.40000112.5K247 K267T245-K247 WeakPolarHBondContact CG2-O 3.24Å; T245-K247 PolarHBondContact O-N 2.85Å; T245-K247 PolarHBondContact OG1-N 3.49Å; T245-K267 HydrophobicContact CG2-CB 3.91Å; T245-K267 HydrophobicContact CG2-CD 3.68Å; T245-K267 HydrophobicContact CG2-CG 3.78Å; T245-K267 PolarHBondContact N-O 2.93Å; T245-K267 VanDerWaalsContact N-O 3.1Å
246I69.6Low87.7Confident123 Ų12364.7 Ų64.763%0.63131%0.313SS*.SBendtrans-61.8-29.6176.4-56.5162.1000111N248 F328 P330I246-N248 PolarHBondContact O-N 3.22Å; I246-F328 HydrophobicContact CB-CE1 4.49Å; I246-F328 HydrophobicContact CG1-CE1 3.83Å; I246-P330 HydrophobicContact CD1-CB 4.36Å; I246-P330 HydrophobicContact CD1-CG 3.63Å; I246-P330 HydrophobicContact CG1-CB 3.88Å; I246-P330 HydrophobicContact CG1-CG 3.44Å; I246-P330 VanDerWaalsContact CG1-CG 3.44Å
247K68Low87.6Confident171 Ų17169.2 Ų69.274%0.74333%0.33SS*.SBendtrans-7082.6173.4-63.8-176.3-177.2-178.60106.9T245 G249T245-K247 WeakPolarHBondContact CG2-O 3.24Å; T245-K247 PolarHBondContact O-N 2.85Å; T245-K247 PolarHBondContact OG1-N 3.49Å; K247-G249 PolarHBondContact O-N 3.28Å; K247-G249 VanDerWaalsContact O-N 3.08Å
248N58.4Low87.5Confident104 Ų10472 Ų7256%0.55634%0.336SS*.  trans-36.5123.5167.3-76-24.9000106.4I246I246-N248 PolarHBondContact O-N 3.22Å
249G65Low87.5Confident7 Ų772.2 Ų72.27%0.07234%0.335CS..  trans-47.7147.4-178.400000109.2K247 K251K247-G249 PolarHBondContact O-N 3.28Å; K247-G249 VanDerWaalsContact O-N 3.08Å; G249-K251 PolarHBondContact O-N 3.42Å; G249-K251 VanDerWaalsContact O-N 3.09Å
250P74.4Confident87.5Confident58 Ų5877 Ų7738%0.37737%0.369SS..  trans-50.7128.6-172.417.4-27.8000108.6K252 R253P250-K252 HydrophobicContact CB-CG 4.09Å; P250-K252 HydrophobicContact CG-CG 4.39Å; P250-K252 CarbonylContact O-C 3.54Å; P250-K252 PolarHBondContact O-N 3.19Å; P250-R253 HydrophobicContact CG-CG 4.02Å; P250-R253 WeakPolarHBondContact O-CB 3.3Å; P250-R253 PolarHBondContact O-N 2.86Å
251K86.6Confident87.4Confident190 Ų19078.4 Ų78.483%0.82638%0.375SS*.G310 helixtrans-44.2-30.6-168.1-69.8-178177.9179.80113.4G249 R253 I254G249-K251 PolarHBondContact O-N 3.42Å; G249-K251 VanDerWaalsContact O-N 3.09Å; K251-R253 PolarHBondContact O-N 3.42Å; K251-I254 WeakPolarHBondContact O-CB 3.29Å; K251-I254 PolarHBondContact O-N 2.98Å; K251-I254 VanDerWaalsContact O-N 3.08Å
252K90.6Very high87.3Confident167 Ų16784.1 Ų84.173%0.72641%0.405SS*.G310 helixtrans-55.5-22.3172.272.1-175.8-175.5174.40116.3P250 K303P250-K252 HydrophobicContact CB-CG 4.09Å; P250-K252 HydrophobicContact CG-CG 4.39Å; P250-K252 CarbonylContact O-C 3.54Å; P250-K252 PolarHBondContact O-N 3.19Å; K252-K303 VanDerWaalsContact O-CE 3.24Å; K252-K303 WeakPolarHBondContact O-CE 3.27Å
253R92.4Very high87.3Confident37 Ų3784.8 Ų84.814%0.1441%0.409CS..G310 helixtrans-83.1-19.7176.8-64.7-172-174-173.20.4112.7P250 K251 K303 E307 M308P250-R253 HydrophobicContact CG-CG 4.02Å; P250-R253 WeakPolarHBondContact O-CB 3.3Å; P250-R253 PolarHBondContact O-N 2.86Å; K251-R253 PolarHBondContact O-N 3.42Å; R253-K303 WeakPolarHBondContact CB-O 3.5Å; R253-K303 WeakPolarHBondContact CD-O 3.44Å; R253-K303 VanDerWaalsContact CG-O 3.23Å; R253-K303 WeakPolarHBondContact CG-O 3.21Å; R253-E307 IonicContact CZ-OE2 3.79Å; R253-E307 IonicContact NH1-OE2 2.65Å; R253-E307 PolarHBondContact NH1-OE2 3.38Å; R253-E307 IonicContact NH2-OE2 3.14Å; R253-M308 HydrophobicContact CB-SD 3.55Å; R253-M308 VanDerWaalsContact CB-SD 3.55Å
254I93.7Very high87.4Confident66 Ų6687.9 Ų87.934%0.33843%0.427SS..SBendtrans-68.1133.5178-61.5175.3000108.5K251 W265 K303 M308K251-I254 WeakPolarHBondContact O-CB 3.29Å; K251-I254 PolarHBondContact O-N 2.98Å; K251-I254 VanDerWaalsContact O-N 3.08Å; I254-W265 HydrophobicContact CG1-CB 4.25Å; I254-W265 HydrophobicContact CG2-CG 4.19Å; I254-K303 PolarHBondContact O-NZ 3.31Å; I254-M308 HydrophobicContact CG1-CE 4.19Å
255P94.9Very high87.5Confident9 Ų988.5 Ų88.56%0.05843%0.429CS..  trans-60147.2174.4-26.937.1000113.1W265 I294 L295 E298P255-W265 HydrophobicContact CG-CH2 4.19Å; P255-W265 HydrophobicContact CG-CZ2 3.7Å; P255-I294 HydrophobicContact CB-CG2 3.25Å; P255-I294 HydrophobicContact CG-CG2 3.71Å; P255-L295 HydrophobicContact CG-CD2 3.72Å; P255-E298 VanDerWaalsContact CA-OE2 3.31Å; P255-E298 WeakPolarHBondContact CA-OE2 3.37Å
256R95.3Very high87.8Confident203 Ų20387.1 Ų87.177%0.76642%0.419SS*.SBendtrans-70.9-43178.9-68175178.9162.1-0.5111.5E298R256-E298 WeakPolarHBondContact CB-OE1 3.43Å; R256-E298 WeakPolarHBondContact CG-OE1 3.46Å; R256-E298 PolarHBondContact N-OE1 3.22Å
257R96.4Very high89Confident94 Ų9483.9 Ų83.936%0.35540%0.401SS..SBendtrans-71.8129.1176.4-174.316582.489.8-11.7109.7E290 I294 E297R257-E290 IonicContact NH1-OE1 3.41Å; R257-E290 PolarHBondContact NH1-OE1 2.03Å; R257-I294 HydrophobicContact CG-CG1 4.45Å; R257-I294 VanDerWaalsContact NH2-CG1 3.3Å; R257-E297 IonicContact CZ-OE1 3.16Å; R257-E297 IonicContact CZ-OE2 2.61Å; R257-E297 IonicContact NE-OE1 3.25Å; R257-E297 PolarHBondContact NE-OE1 3.36Å; R257-E297 IonicContact NE-OE2 2.83Å; R257-E297 PolarHBondContact NE-OE2 3.11Å; R257-E297 IonicContact NH2-OE1 3.2Å; R257-E297 PolarHBondContact NH2-OE1 3.24Å; R257-E297 IonicContact NH2-OE2 2.87Å
258K96.2Very high90.2Very high181 Ų18176.2 Ų76.279%0.78737%0.37SS*.PPolyproline II helixtrans-84.8142.7170.3-65.8-176.9-179.5179.10109.4
259P97.3Very high91.9Very high19 Ų1972.5 Ų72.512%0.12335%0.352CS..PPolyproline II helixtrans-69.3165.8170.927.1-28.9000111.6F261 V263 E290 L291 I294P259-F261 HydrophobicContact CB-CD1 4.1Å; P259-F261 HydrophobicContact CB-CE1 3.76Å; P259-F261 HydrophobicContact CB-CE2 4.43Å; P259-F261 HydrophobicContact CB-CZ 3.95Å; P259-F261 HydrophobicContact CG-CE2 4.41Å; P259-F261 HydrophobicContact CG-CZ 4.36Å; P259-F261 PolarHBondContact O-N 2.95Å; P259-V263 HydrophobicContact CG-CB 4.43Å; P259-V263 HydrophobicContact CG-CG1 3.41Å; P259-V263 VanDerWaalsContact CG-CG1 3.41Å; P259-E290 VanDerWaalsContact CA-OE1 3.29Å; P259-E290 WeakPolarHBondContact CA-OE1 3.21Å; P259-E290 HydrophobicContact CB-CG 4.41Å; P259-L291 HydrophobicContact CB-CD2 4.09Å; P259-L291 HydrophobicContact CG-CD2 3.93Å; P259-I294 HydrophobicContact CB-CD1 3.67Å; P259-I294 HydrophobicContact CG-CD1 4.26Å
260S97.9Very high93.3Very high102 Ų10273.3 Ų73.371%0.71335%0.354SS*.SBendtrans-65.7-10.8178.4670000114.6E290S260-E290 WeakPolarHBondContact CB-OE2 3.46Å; S260-E290 PolarHBondContact N-OE1 3.28Å; S260-E290 PolarHBondContact N-OE2 3.48Å; S260-E290 PolarHBondContact OG-OE2 3.08Å
261F97.6Very high94.4Very high40 Ų4071.8 Ų71.818%0.17534%0.342CS..SBendtrans-127.1164.2-178.357.2-88.5000111.8P259 V263 N287 E290 L291 L319P259-F261 HydrophobicContact CB-CD1 4.1Å; P259-F261 HydrophobicContact CB-CE1 3.76Å; P259-F261 HydrophobicContact CB-CE2 4.43Å; P259-F261 HydrophobicContact CB-CZ 3.95Å; P259-F261 HydrophobicContact CG-CE2 4.41Å; P259-F261 HydrophobicContact CG-CZ 4.36Å; P259-F261 PolarHBondContact O-N 2.95Å; F261-V263 HydrophobicContact CD2-CB 4.14Å; F261-V263 HydrophobicContact CE2-CB 3.83Å; F261-V263 HydrophobicContact CE2-CG1 4.34Å; F261-V263 HydrophobicContact CE2-CG2 4.25Å; F261-V263 PolarHBondContact O-N 3.28Å; F261-N287 HydrophobicContact CD1-CB 4.1Å; F261-N287 WeakPolarHBondContact CD1-OD1 3.47Å; F261-N287 HydrophobicContact CE1-CB 3.49Å; F261-N287 VanDerWaalsContact CE1-CB 3.49Å; F261-N287 HydrophobicContact CE2-CB 4.13Å; F261-N287 HydrophobicContact CZ-CB 3.49Å; F261-N287 VanDerWaalsContact CZ-CB 3.49Å; F261-N287 WeakPolarHBondContact CZ-O 3.34Å; F261-E290 HydrophobicContact CE1-CB 4.35Å; F261-E290 WeakPolarHBondContact CE1-OE2 3.39Å; F261-L291 HydrophobicContact CE2-CD1 4.41Å; F261-L291 HydrophobicContact CE2-CD2 4.41Å; F261-L291 HydrophobicContact CZ-CD1 4.05Å; F261-L291 HydrophobicContact CZ-CD2 3.92Å; F261-L291 HydrophobicContact CZ-CG 3.81Å; F261-L319 HydrophobicContact CD2-CD2 3.74Å; F261-L319 HydrophobicContact CE2-CD1 4.44Å; F261-L319 HydrophobicContact CE2-CD2 3.51Å; F261-L319 HydrophobicContact CZ-CD2 4.4Å
262N95.5Very high94.9Very high133 Ų13362.7 Ų62.771%0.71130%0.303SS*.  trans-74.8120178.4-17227.9000111.5Q318N262-Q318 PolarHBondContact O-NE2 3.35Å
263V95Very high95.3Very high20 Ų2054.8 Ų54.812%0.12127%0.268CS..  trans-143.1142.2175.577.60000110.3P259 F261 L291 T312 N316 L319P259-V263 HydrophobicContact CG-CB 4.43Å; P259-V263 HydrophobicContact CG-CG1 3.41Å; P259-V263 VanDerWaalsContact CG-CG1 3.41Å; F261-V263 HydrophobicContact CD2-CB 4.14Å; F261-V263 HydrophobicContact CE2-CB 3.83Å; F261-V263 HydrophobicContact CE2-CG1 4.34Å; F261-V263 HydrophobicContact CE2-CG2 4.25Å; F261-V263 PolarHBondContact O-N 3.28Å; V263-L291 HydrophobicContact CG1-CD2 4.09Å; V263-T312 HydrophobicContact CG2-CG2 3.51Å; V263-N316 HydrophobicContact CG2-CB 4.23Å; V263-L319 HydrophobicContact CG2-CD1 4.1Å
264T93.2Very high95.6Very high73 Ų7353 Ų5345%0.44826%0.262SS..  trans-100.5120.3167.5-59.30000108.8I266 N316T264-I266 HydrophobicContact CG2-CD1 3.81Å; T264-I266 WeakPolarHBondContact O-CG1 3.45Å; T264-I266 PolarHBondContact O-N 3.41Å; T264-N316 PolarHBondContact N-OD1 3.05Å; T264-N316 PolarHBondContact O-ND2 2.69Å
265W93.6Very high95.9Very high21 Ų2152.3 Ų52.38%0.0826%0.255CS..  trans-67119.3173.5-76.3100.5000110.6I254 P255 L291 I294 L295 M308 T312I254-W265 HydrophobicContact CG1-CB 4.25Å; I254-W265 HydrophobicContact CG2-CG 4.19Å; P255-W265 HydrophobicContact CG-CH2 4.19Å; P255-W265 HydrophobicContact CG-CZ2 3.7Å; W265-L291 HydrophobicContact CH2-CB 4.15Å; W265-L291 HydrophobicContact CH2-CD2 3.87Å; W265-L291 HydrophobicContact CH2-CG 4.5Å; W265-L291 HydrophobicContact CZ2-CD2 3.68Å; W265-I294 HydrophobicContact CZ2-CG2 4.23Å; W265-L295 HydrophobicContact CH2-CD1 4Å; W265-L295 HydrophobicContact CH2-CD2 3.72Å; W265-L295 HydrophobicContact CH2-CG 3.77Å; W265-L295 HydrophobicContact CZ2-CD2 4.49Å; W265-L295 HydrophobicContact CZ3-CD1 4.06Å; W265-L295 HydrophobicContact CZ3-CD2 3.9Å; W265-L295 HydrophobicContact CZ3-CG 4.2Å; W265-M308 HydrophobicContact CB-CE 3.61Å; W265-M308 HydrophobicContact CD2-CE 4.07Å; W265-M308 HydrophobicContact CE3-CB 4.25Å; W265-M308 HydrophobicContact CE3-CE 3.86Å; W265-M308 HydrophobicContact CG-CE 4.01Å; W265-T312 HydrophobicContact CD2-CG2 4.39Å; W265-T312 HydrophobicContact CE3-CG2 3.97Å; W265-T312 VanDerWaalsContact CE3-OG1 3.31Å; W265-T312 HydrophobicContact CZ3-CG2 4.31Å
266I92.9Very high96Very high12 Ų1254.1 Ų54.16%0.06226%0.261CS..  trans-108.7128.4-177.6-59-57.9000109.5C244 T264 M308 S311 T312 Y315 F328C244-I266 HydrophobicContact CB-CG2 4.03Å; T264-I266 HydrophobicContact CG2-CD1 3.81Å; T264-I266 WeakPolarHBondContact O-CG1 3.45Å; T264-I266 PolarHBondContact O-N 3.41Å; I266-M308 WeakPolarHBondContact O-CA 3.31Å; I266-S311 PolarHBondContact O-OG 3.09Å; I266-T312 PolarHBondContact N-OG1 3.03Å; I266-T312 PolarHBondContact O-OG1 3.17Å; I266-Y315 HydrophobicContact CG2-CD2 4.41Å; I266-F328 HydrophobicContact CD1-CD2 4.46Å; I266-F328 HydrophobicContact CD1-CE2 4.34Å; I266-F328 HydrophobicContact CG2-CD2 4.41Å; I266-F328 HydrophobicContact CG2-CE2 3.71Å
267K93.7Very high96.2Very high55 Ų5548.8 Ų48.824%0.23924%0.244CC..  trans-75.8137.9168.8178.4-175.8168.3-163.80110.1C244 T245 E307C244-K267 WeakPolarHBondContact CA-O 3.34Å; T245-K267 HydrophobicContact CG2-CB 3.91Å; T245-K267 HydrophobicContact CG2-CD 3.68Å; T245-K267 HydrophobicContact CG2-CG 3.78Å; T245-K267 PolarHBondContact N-O 2.93Å; T245-K267 VanDerWaalsContact N-O 3.1Å; K267-E307 CarbonylContact C-O 3.48Å; K267-E307 WeakPolarHBondContact CA-O 3.47Å
268G93.7Very high96.3Very high9 Ų944.3 Ų44.39%0.09323%0.228CC..BIsolated β-bridgetrans-149.6-164.3178.400000114.4G243 E307 S311G243-G268 CarbonylContact O-C 3.59Å; G243-G268 WeakPolarHBondContact O-CA 3.36Å; G268-E307 PolarHBondContact N-O 3.22Å; G268-E307 WeakPolarHBondContact O-CB 3.34Å; G268-S311 PolarHBondContact N-OG 3Å
269S93.4Very high96.4Very high27 Ų2735.9 Ų35.919%0.18919%0.191CC..  trans-99.8138.8174.8-178.70000110G243 L271 V272 F340G243-S269 PolarHBondContact O-N 2.03Å; S269-L271 VanDerWaalsContact C-N 3.28Å; S269-L271 WeakPolarHBondContact OG-CB 3.35Å; S269-L271 PolarHBondContact OG-N 3.38Å; S269-L271 VanDerWaalsContact OG-N 3.12Å; S269-V272 WeakPolarHBondContact O-CG1 3.31Å; S269-F340 VanDerWaalsContact CB-CZ 3.46Å; S269-F340 WeakPolarHBondContact OG-CE1 3.47Å; S269-F340 WeakPolarHBondContact OG-CZ 3.08Å
270F95.9Very high96.5Very high23 Ų2336.8 Ų36.810%0.10120%0.198CC..SBendtrans-79.2-11.4169.1-174.9-123.5000112.8V191 L192 F195 N215 V272 D306 F310V191-F270 HydrophobicContact CG1-CD1 3.95Å; V191-F270 HydrophobicContact CG1-CE1 3.62Å; V191-F270 HydrophobicContact CG1-CZ 4.19Å; V191-F270 WeakPolarHBondContact O-CZ 3.32Å; L192-F270 HydrophobicContact CD1-CE2 3.92Å; F195-F270 HydrophobicContact CB-CE2 4.21Å; F195-F270 HydrophobicContact CB-CZ 3.61Å; F195-F270 AromaticContact CD1-CE2 4Å; F195-F270 HydrophobicContact CD1-CE2 4Å; F195-F270 HydrophobicContact CD1-CZ 4.16Å; F195-F270 HydrophobicContact CG-CE2 4.39Å; F195-F270 HydrophobicContact CG-CZ 4.07Å; N215-F270 VanDerWaalsContact CG-O 3.24Å; N215-F270 WeakPolarHBondContact ND2-CD1 3.37Å; N215-F270 WeakPolarHBondContact ND2-CE1 3.34Å; N215-F270 PolarHBondContact ND2-O 3.26Å; N215-F270 PolarHBondContact OD1-O 3.44Å; N215-F270 VanDerWaalsContact OD1-O 3.07Å; F270-V272 VanDerWaalsContact C-N 3.34Å; F270-V272 PolarHBondContact O-N 3.32Å; F270-D306 HydrophobicContact CB-CB 4.14Å; F270-D306 HydrophobicContact CD1-CB 4.23Å; F270-D306 HydrophobicContact CD2-CB 3.61Å; F270-D306 WeakPolarHBondContact CD2-O 3.04Å; F270-D306 HydrophobicContact CE2-CB 3.94Å; F270-D306 HydrophobicContact CG-CB 3.75Å; F270-D306 HydrophobicContact CZ-CB 4.39Å; F270-F310 HydrophobicContact CD2-CD2 4.13Å; F270-F310 AromaticContact CD2-CE2 3.88Å; F270-F310 HydrophobicContact CD2-CE2 3.88Å; F270-F310 HydrophobicContact CE2-CD2 4.38Å; F270-F310 AromaticContact CE2-CE2 3.67Å; F270-F310 HydrophobicContact CE2-CE2 3.67Å
271L96.6Very high96.6Very high26 Ų2633 Ų3314%0.13617%0.168CC..  trans-81.577.1-178.2-57.6169.2000109.8S269 F340 S342 R343 V345S269-L271 VanDerWaalsContact C-N 3.28Å; S269-L271 WeakPolarHBondContact OG-CB 3.35Å; S269-L271 PolarHBondContact OG-N 3.38Å; S269-L271 VanDerWaalsContact OG-N 3.12Å; L271-F340 HydrophobicContact CB-CZ 4.41Å; L271-F340 WeakPolarHBondContact O-CZ 3.39Å; L271-S342 WeakPolarHBondContact O-CB 3.46Å; L271-S342 PolarHBondContact O-OG 2.83Å; L271-R343 HydrophobicContact CB-CB 4.13Å; L271-R343 HydrophobicContact CB-CG 3.82Å; L271-R343 HydrophobicContact CD1-CB 3.7Å; L271-R343 HydrophobicContact CD1-CG 3.81Å; L271-R343 HydrophobicContact CD2-CG 4.27Å; L271-R343 HydrophobicContact CG-CB 4.45Å; L271-R343 HydrophobicContact CG-CG 4.15Å; L271-R343 PolarHBondContact O-NH1 3.02Å; L271-V345 HydrophobicContact CD1-CG2 4.08Å
272V98.2Very high96.6Very high0 Ų031.2 Ų31.20%016%0.16CC..  trans-103.6162.8-163.8-65.60000113.5F195 M214 N215 I241 I242 S269 F270 L274 F310 R343F195-V272 HydrophobicContact CE1-CG2 4.07Å; F195-V272 HydrophobicContact CZ-CG2 4.16Å; M214-V272 WeakPolarHBondContact CA-O 3.38Å; N215-V272 WeakPolarHBondContact OD1-CG2 3.12Å; N215-V272 PolarHBondContact OD1-N 3.38Å; N215-V272 PolarHBondContact OD1-O 3.23Å; I241-V272 WeakPolarHBondContact O-CA 3.3Å; I242-V272 HydrophobicContact CB-CG1 4.48Å; I242-V272 HydrophobicContact CG1-CB 4.42Å; I242-V272 HydrophobicContact CG1-CG1 3.97Å; I242-V272 HydrophobicContact CG2-CG1 4.4Å; S269-V272 WeakPolarHBondContact O-CG1 3.31Å; F270-V272 VanDerWaalsContact C-N 3.34Å; F270-V272 PolarHBondContact O-N 3.32Å; V272-L274 HydrophobicContact CB-CD2 3.8Å; V272-L274 HydrophobicContact CB-CG 3.99Å; V272-L274 HydrophobicContact CG1-CD2 4.33Å; V272-L274 HydrophobicContact CG2-CD1 3.9Å; V272-L274 HydrophobicContact CG2-CD2 4Å; V272-L274 HydrophobicContact CG2-CG 3.66Å; V272-F310 HydrophobicContact CG1-CB 4.48Å; V272-F310 HydrophobicContact CG1-CD2 4.13Å; V272-F310 HydrophobicContact CG2-CD2 4.34Å; V272-F310 HydrophobicContact CG2-CE2 4.41Å; V272-R343 PolarHBondContact O-NH1 2.8Å
273A98.6Very high96.8Very high0 Ų026.5 Ų26.50%013%0.134CC..EExtended strand (participates in β ladder)trans-126.7113.5157.100000108.3Y212 V213 M214 L233 I241 F378Y212-A273 HydrophobicContact CD1-CB 4.46Å; V213-A273 WeakPolarHBondContact O-CA 3.25Å; M214-A273 HydrophobicContact CG-CB 3.55Å; M214-A273 HydrophobicContact SD-CB 4.15Å; L233-A273 HydrophobicContact CD2-CB 4.04Å; I241-A273 HydrophobicContact CB-CB 3.96Å; I241-A273 HydrophobicContact CG1-CB 4.25Å; I241-A273 PolarHBondContact N-O 3.43Å; I241-A273 PolarHBondContact O-N 3.26Å; A273-F378 HydrophobicContact CB-CE2 4.17Å
274L98.8Very high96.9Very high1 Ų131.4 Ų31.41%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-113.7130.5-170.7-55.1-177.9000110.7F195 Y212 V213 N240 I242 V272 F278 V279 F310F195-L274 HydrophobicContact CE1-CD1 3.8Å; F195-L274 HydrophobicContact CZ-CD1 4.1Å; Y212-L274 CarbonylContact C-O 3.5Å; Y212-L274 WeakPolarHBondContact CA-O 3.4Å; Y212-L274 VanDerWaalsContact CD1-C 3.42Å; V213-L274 HydrophobicContact CG1-CB 4.09Å; V213-L274 PolarHBondContact N-O 2.05Å; V213-L274 PolarHBondContact O-N 3.27Å; N240-L274 HydrophobicContact CB-CD2 4.37Å; N240-L274 WeakPolarHBondContact OD1-CA 3.27Å; I242-L274 HydrophobicContact CD1-CD2 3.54Å; I242-L274 HydrophobicContact CG1-CD2 3.59Å; V272-L274 HydrophobicContact CB-CD2 3.8Å; V272-L274 HydrophobicContact CB-CG 3.99Å; V272-L274 HydrophobicContact CG1-CD2 4.33Å; V272-L274 HydrophobicContact CG2-CD1 3.9Å; V272-L274 HydrophobicContact CG2-CD2 4Å; V272-L274 HydrophobicContact CG2-CG 3.66Å; L274-F278 HydrophobicContact CB-CD1 4.25Å; L274-F278 HydrophobicContact CD1-CD1 4.13Å; L274-F278 HydrophobicContact CD1-CE1 4.16Å; L274-F278 HydrophobicContact CD2-CD1 3.93Å; L274-F278 HydrophobicContact CD2-CE1 3.87Å; L274-F278 HydrophobicContact CG-CD1 4.34Å; L274-V279 HydrophobicContact CB-CG2 3.7Å; L274-V279 HydrophobicContact CD1-CG2 4.08Å; L274-F310 HydrophobicContact CD1-CD1 3.99Å; L274-F310 HydrophobicContact CD1-CE1 3.8Å; L274-F310 HydrophobicContact CD1-CE2 4.37Å; L274-F310 HydrophobicContact CD1-CG 4.38Å; L274-F310 HydrophobicContact CD1-CZ 4.02Å
275R98.6Very high97.2Very high51 Ų5129.8 Ų29.819%0.19215%0.146CC..EExtended strand (participates in β ladder)trans-68.3152172.472.7-178.1-74.8177.2-5110.9K211 Y212 G238 N240 E277 F278 V279K211-R275 CarbonylContact O-C 3.49Å; K211-R275 WeakPolarHBondContact O-CA 3.26Å; Y212-R275 HydrophobicContact CD1-CB 4.2Å; Y212-R275 HydrophobicContact CD2-CB 4.44Å; Y212-R275 HydrophobicContact CE1-CB 3.73Å; Y212-R275 HydrophobicContact CE2-CB 3.99Å; G238-R275 WeakPolarHBondContact O-CD 3.03Å; G238-R275 PolarHBondContact O-NH1 2.88Å; N240-R275 WeakPolarHBondContact OD1-CG 3.44Å; N240-R275 PolarHBondContact OD1-N 3.44Å; R275-E277 VanDerWaalsContact C-N 3.27Å; R275-E277 IonicContact CZ-OE1 3.55Å; R275-E277 IonicContact CZ-OE2 3.66Å; R275-E277 IonicContact NE-OE1 3.49Å; R275-E277 IonicContact NE-OE2 3.41Å; R275-E277 PolarHBondContact NE-OE2 3.05Å; R275-E277 IonicContact NH2-OE1 3.86Å; R275-E277 PolarHBondContact NH2-OE1 3.1Å; R275-E277 IonicContact NH2-OE2 3.78Å; R275-E277 PolarHBondContact NH2-OE2 3.5Å; R275-E277 PolarHBondContact O-N 3.3Å; R275-F278 HydrophobicContact CG-CB 3.73Å; R275-F278 WeakPolarHBondContact O-CB 3.11Å; R275-F278 PolarHBondContact O-N 2.88Å; R275-F278 VanDerWaalsContact O-N 3.1Å; R275-V279 PolarHBondContact O-N 3.42Å; R275-V279 VanDerWaalsContact O-N 3.15Å
276R98.7Very high97.4Very high47 Ų4733.4 Ų33.418%0.17717%0.172CC..Hα-helixtrans-54.7-40.7-177.3-176.3174.8175.184.7-0.6113.5M202 L203 Q209 W210 K211 F278 V279 S280M202-R276 PolarHBondContact O-NH1 3.05Å; L203-R276 HydrophobicContact CD2-CG 3.95Å; L203-R276 PolarHBondContact O-NH2 3.19Å; Q209-R276 VanDerWaalsContact OE1-CZ 3.23Å; W210-R276 VanDerWaalsContact CE2-NH1 3.26Å; W210-R276 HydrophobicContact CE3-CB 3.93Å; W210-R276 HydrophobicContact CE3-CG 4.35Å; W210-R276 HydrophobicContact CH2-CB 3.94Å; W210-R276 HydrophobicContact CH2-CG 3.94Å; W210-R276 HydrophobicContact CZ2-CG 4.11Å; W210-R276 HydrophobicContact CZ3-CB 3.6Å; W210-R276 HydrophobicContact CZ3-CG 4.07Å; W210-R276 WeakPolarHBondContact O-CD 3.31Å; K211-R276 PolarHBondContact O-N 3.25Å; R276-F278 PolarHBondContact O-N 3.39Å; R276-V279 PolarHBondContact O-N 3.35Å; R276-S280 PolarHBondContact O-N 2.97Å
277E98.6Very high97.7Very high91 Ų9135.3 Ų35.343%0.42518%0.182SC..Hα-helixtrans-69.1-34.1-178.3-57.589.6149.200112.2R275 V279 S280 Y281 P322R275-E277 VanDerWaalsContact C-N 3.27Å; R275-E277 IonicContact CZ-OE1 3.55Å; R275-E277 IonicContact CZ-OE2 3.66Å; R275-E277 IonicContact NE-OE1 3.49Å; R275-E277 IonicContact NE-OE2 3.41Å; R275-E277 PolarHBondContact NE-OE2 3.05Å; R275-E277 IonicContact NH2-OE1 3.86Å; R275-E277 PolarHBondContact NH2-OE1 3.1Å; R275-E277 IonicContact NH2-OE2 3.78Å; R275-E277 PolarHBondContact NH2-OE2 3.5Å; R275-E277 PolarHBondContact O-N 3.3Å; E277-V279 VanDerWaalsContact C-N 3.34Å; E277-S280 WeakPolarHBondContact O-CB 3.32Å; E277-S280 PolarHBondContact O-N 2.84Å; E277-Y281 WeakPolarHBondContact O-CB 3.47Å; E277-Y281 PolarHBondContact O-N 2.85Å; E277-P322 HydrophobicContact CB-CB 3.85Å; E277-P322 HydrophobicContact CB-CG 4.07Å
278F98.8Very high97.9Very high0 Ų032.7 Ų32.70%017%0.171CC..Hα-helixtrans-66.5-40172.4-177.4-89.8000110.8N240 I242 L274 R275 R276 Y281 V282 F310 L313 A314 A321 P322N240-F278 VanDerWaalsContact ND2-CD2 3.35Å; N240-F278 WeakPolarHBondContact ND2-CD2 3.3Å; N240-F278 WeakPolarHBondContact OD1-CB 3.24Å; I242-F278 HydrophobicContact CD1-CE1 4.13Å; I242-F278 HydrophobicContact CD1-CE2 4.38Å; I242-F278 HydrophobicContact CD1-CZ 3.85Å; L274-F278 HydrophobicContact CB-CD1 4.25Å; L274-F278 HydrophobicContact CD1-CD1 4.13Å; L274-F278 HydrophobicContact CD1-CE1 4.16Å; L274-F278 HydrophobicContact CD2-CD1 3.93Å; L274-F278 HydrophobicContact CD2-CE1 3.87Å; L274-F278 HydrophobicContact CG-CD1 4.34Å; R275-F278 HydrophobicContact CG-CB 3.73Å; R275-F278 WeakPolarHBondContact O-CB 3.11Å; R275-F278 PolarHBondContact O-N 2.88Å; R275-F278 VanDerWaalsContact O-N 3.1Å; R276-F278 PolarHBondContact O-N 3.39Å; F278-Y281 WeakPolarHBondContact O-CB 3.13Å; F278-Y281 PolarHBondContact O-N 3.21Å; F278-V282 HydrophobicContact CD1-CG2 4.03Å; F278-V282 HydrophobicContact CE1-CG2 3.77Å; F278-V282 HydrophobicContact CZ-CG2 4.45Å; F278-V282 WeakPolarHBondContact O-CG2 3.05Å; F278-V282 PolarHBondContact O-N 3.15Å; F278-F310 AromaticContact CE1-CD1 3.84Å; F278-F310 HydrophobicContact CE1-CD1 3.84Å; F278-F310 HydrophobicContact CZ-CD1 4.45Å; F278-L313 HydrophobicContact CE2-CB 4.05Å; F278-L313 HydrophobicContact CZ-CB 3.78Å; F278-L313 HydrophobicContact CZ-CD1 4.22Å; F278-A314 HydrophobicContact CE2-CB 4.47Å; F278-A321 HydrophobicContact CD2-CB 3.94Å; F278-A321 HydrophobicContact CE2-CB 3.75Å; F278-P322 WeakPolarHBondContact CB-O 3.46Å; F278-P322 WeakPolarHBondContact CD2-O 3.42Å
279V98.8Very high98.2Very high3 Ų335.3 Ų35.32%0.01818%0.182CC..Hα-helixtrans-67.3-38.8175.3177.90000111.5T199 L203 W210 V213 L274 R275 R276 E277 Y281 V282 H283T199-V279 HydrophobicContact CG2-CG1 4.09Å; L203-V279 HydrophobicContact CD1-CG1 3.95Å; L203-V279 HydrophobicContact CD2-CG1 4.25Å; L203-V279 HydrophobicContact CG-CG1 3.98Å; W210-V279 HydrophobicContact CH2-CB 3.81Å; W210-V279 HydrophobicContact CH2-CG1 3.96Å; W210-V279 HydrophobicContact CH2-CG2 3.83Å; W210-V279 HydrophobicContact CZ2-CG1 4.38Å; W210-V279 HydrophobicContact CZ3-CG2 4.39Å; V213-V279 HydrophobicContact CG1-CG2 3.71Å; L274-V279 HydrophobicContact CB-CG2 3.7Å; L274-V279 HydrophobicContact CD1-CG2 4.08Å; R275-V279 PolarHBondContact O-N 3.42Å; R275-V279 VanDerWaalsContact O-N 3.15Å; R276-V279 PolarHBondContact O-N 3.35Å; E277-V279 VanDerWaalsContact C-N 3.34Å; V279-Y281 VanDerWaalsContact C-N 3.35Å; V279-V282 WeakPolarHBondContact O-CB 3.23Å; V279-V282 PolarHBondContact O-N 2.85Å; V279-H283 PolarHBondContact O-CD2 3.19Å; V279-H283 VanDerWaalsContact O-CD2 3.24Å; V279-H283 PolarHBondContact O-N 2.94Å
280S98.7Very high98.4Very high38 Ų3835.7 Ų35.727%0.26618%0.181SC..Hα-helixtrans-58.9-47.7171.2-169.80000111R276 E277 V282 H283 M284R276-S280 PolarHBondContact O-N 2.97Å; E277-S280 WeakPolarHBondContact O-CB 3.32Å; E277-S280 PolarHBondContact O-N 2.84Å; S280-V282 VanDerWaalsContact C-N 3.3Å; S280-V282 PolarHBondContact O-N 3.21Å; S280-H283 PolarHBondContact O-N 3.12Å; S280-M284 WeakPolarHBondContact O-CB 3.09Å; S280-M284 WeakPolarHBondContact O-CG 3.17Å; S280-M284 PolarHBondContact O-N 2.99Å; S280-M284 PolarHBondContact OG-SD 3Å; S280-M284 VanDerWaalsContact OG-SD 3.39Å
281Y98.8Very high98.6Very high23 Ų2334.6 Ų34.69%0.0918%0.176CC..Hα-helixtrans-56.1-43.6173.8178.5-76.9000111.7E277 F278 V279 H283 M284 N285 L313 L319 A321E277-Y281 WeakPolarHBondContact O-CB 3.47Å; E277-Y281 PolarHBondContact O-N 2.85Å; F278-Y281 WeakPolarHBondContact O-CB 3.13Å; F278-Y281 PolarHBondContact O-N 3.21Å; V279-Y281 VanDerWaalsContact C-N 3.35Å; Y281-H283 VanDerWaalsContact C-N 3.26Å; Y281-H283 PolarHBondContact O-N 2.87Å; Y281-M284 PolarHBondContact O-N 2.81Å; Y281-N285 HydrophobicContact CD1-CB 3.93Å; Y281-N285 HydrophobicContact CD2-CB 3.76Å; Y281-N285 HydrophobicContact CE1-CB 3.82Å; Y281-N285 HydrophobicContact CE2-CB 3.71Å; Y281-N285 VanDerWaalsContact CE2-CG 3.41Å; Y281-N285 VanDerWaalsContact CE2-ND2 3.31Å; Y281-N285 WeakPolarHBondContact CE2-ND2 3.46Å; Y281-N285 HydrophobicContact CG-CB 3.87Å; Y281-N285 WeakPolarHBondContact O-CB 3.23Å; Y281-N285 PolarHBondContact O-N 2.88Å; Y281-N285 PolarHBondContact OH-OD1 2.6Å; Y281-L313 HydrophobicContact CE1-CD1 4.49Å; Y281-L313 HydrophobicContact CE1-CD2 4.12Å; Y281-L319 WeakPolarHBondContact CE2-O 3.23Å; Y281-L319 PolarHBondContact OH-O 3.31Å; Y281-A321 HydrophobicContact CD1-CB 3.98Å; Y281-A321 HydrophobicContact CD2-CB 4.44Å; Y281-A321 HydrophobicContact CE1-CB 3.82Å; Y281-A321 HydrophobicContact CE2-CB 4.24Å; Y281-A321 HydrophobicContact CG-CB 4.31Å
282V98.8Very high98.7Very high2 Ų233.7 Ų33.71%0.01217%0.171CC..Hα-helixtrans-54.4-43.1178.8160.40000111.9L196 F278 V279 S280 S288 L292 F309 F310 L313L196-V282 HydrophobicContact CD2-CG1 3.7Å; F278-V282 HydrophobicContact CD1-CG2 4.03Å; F278-V282 HydrophobicContact CE1-CG2 3.77Å; F278-V282 HydrophobicContact CZ-CG2 4.45Å; F278-V282 WeakPolarHBondContact O-CG2 3.05Å; F278-V282 PolarHBondContact O-N 3.15Å; V279-V282 WeakPolarHBondContact O-CB 3.23Å; V279-V282 PolarHBondContact O-N 2.85Å; S280-V282 VanDerWaalsContact C-N 3.3Å; S280-V282 PolarHBondContact O-N 3.21Å; V282-S288 VanDerWaalsContact CA-OG 3.27Å; V282-S288 WeakPolarHBondContact CA-OG 3.46Å; V282-S288 PolarHBondContact O-OG 3.07Å; V282-L292 HydrophobicContact CG1-CD1 4.42Å; V282-F309 HydrophobicContact CG1-CE1 3.7Å; V282-F309 HydrophobicContact CG1-CZ 3.96Å; V282-F309 HydrophobicContact CG2-CE1 4.05Å; V282-F309 HydrophobicContact CG2-CZ 4.36Å; V282-F310 HydrophobicContact CG2-CD1 4.34Å; V282-F310 HydrophobicContact CG2-CE1 4.09Å; V282-L313 HydrophobicContact CG2-CD1 3.73Å
283H98.7Very high98.7Very high35 Ų3536.7 Ų36.716%0.16219%0.187CC..Hα-helixtrans-90.5-19.4-174.5-70.4-67.6000114.5L196 T199 Q200 L203 V279 S280 Y281L196-H283 PolarHBondContact O-CE1 2.87Å; L196-H283 VanDerWaalsContact O-CE1 3.28Å; T199-H283 PolarHBondContact OG1-NE2 3.44Å; Q200-H283 PolarHBondContact OE1-ND1 2.71Å; L203-H283 HydrophobicContact CD1-CB 4.4Å; V279-H283 PolarHBondContact O-CD2 3.19Å; V279-H283 VanDerWaalsContact O-CD2 3.24Å; V279-H283 PolarHBondContact O-N 2.94Å; S280-H283 PolarHBondContact O-N 3.12Å; Y281-H283 VanDerWaalsContact C-N 3.26Å; Y281-H283 PolarHBondContact O-N 2.87Å
284M98.6Very high98.7Very high122 Ų12236.7 Ų36.760%0.60119%0.187SC*.Hα-helixtrans-117.1-25.4-171.3-59.5-178.2-173.600114.4S280 Y281S280-M284 WeakPolarHBondContact O-CB 3.09Å; S280-M284 WeakPolarHBondContact O-CG 3.17Å; S280-M284 PolarHBondContact O-N 2.99Å; S280-M284 PolarHBondContact OG-SD 3Å; S280-M284 VanDerWaalsContact OG-SD 3.39Å; Y281-M284 PolarHBondContact O-N 2.81Å
285N98.6Very high98.6Very high40 Ų4037.1 Ų37.121%0.21419%0.189CC..  trans-75.6129.8-176.5-178.8-84.3000111Y281 N287 S288 I289Y281-N285 HydrophobicContact CD1-CB 3.93Å; Y281-N285 HydrophobicContact CD2-CB 3.76Å; Y281-N285 HydrophobicContact CE1-CB 3.82Å; Y281-N285 HydrophobicContact CE2-CB 3.71Å; Y281-N285 VanDerWaalsContact CE2-CG 3.41Å; Y281-N285 VanDerWaalsContact CE2-ND2 3.31Å; Y281-N285 WeakPolarHBondContact CE2-ND2 3.46Å; Y281-N285 HydrophobicContact CG-CB 3.87Å; Y281-N285 WeakPolarHBondContact O-CB 3.23Å; Y281-N285 PolarHBondContact O-N 2.88Å; Y281-N285 PolarHBondContact OH-OD1 2.6Å; N285-N287 VanDerWaalsContact C-N 3.31Å; N285-N287 PolarHBondContact O-N 2.9Å; N285-N287 WeakPolarHBondContact OD1-CA 3.34Å; N285-N287 VanDerWaalsContact OD1-CB 3.25Å; N285-N287 WeakPolarHBondContact OD1-CB 3.4Å; N285-N287 PolarHBondContact OD1-N 2.84Å; N285-S288 WeakPolarHBondContact O-CB 3.35Å; N285-S288 PolarHBondContact O-N 2.83Å; N285-S288 VanDerWaalsContact O-N 3.11Å; N285-S288 PolarHBondContact OD1-N 3.15Å; N285-I289 WeakPolarHBondContact O-CG1 3.48Å; N285-I289 PolarHBondContact O-N 3.39Å
286P98.6Very high98.6Very high96 Ų9638.8 Ų38.862%0.62320%0.196SC*.Hα-helixtrans-56.3-39.7-178.9-28.235.5000114.4I289 E290P286-I289 PolarHBondContact O-N 3.41Å; P286-E290 WeakPolarHBondContact O-CB 3.5Å; P286-E290 PolarHBondContact O-N 3.07Å
287N98.6Very high98.6Very high53 Ų5341.1 Ų41.128%0.28321%0.209SC..Hα-helixtrans-67.1-42178.9-65.6-12.4000110.8F261 N285 E290 L291 L319F261-N287 HydrophobicContact CD1-CB 4.1Å; F261-N287 WeakPolarHBondContact CD1-OD1 3.47Å; F261-N287 HydrophobicContact CE1-CB 3.49Å; F261-N287 VanDerWaalsContact CE1-CB 3.49Å; F261-N287 HydrophobicContact CE2-CB 4.13Å; F261-N287 HydrophobicContact CZ-CB 3.49Å; F261-N287 VanDerWaalsContact CZ-CB 3.49Å; F261-N287 WeakPolarHBondContact CZ-O 3.34Å; N285-N287 VanDerWaalsContact C-N 3.31Å; N285-N287 PolarHBondContact O-N 2.9Å; N285-N287 WeakPolarHBondContact OD1-CA 3.34Å; N285-N287 VanDerWaalsContact OD1-CB 3.25Å; N285-N287 WeakPolarHBondContact OD1-CB 3.4Å; N285-N287 PolarHBondContact OD1-N 2.84Å; N287-E290 PolarHBondContact O-N 3.42Å; N287-L291 WeakPolarHBondContact O-CG 3.48Å; N287-L291 PolarHBondContact O-N 2.85Å; N287-L291 VanDerWaalsContact O-N 3.08Å; N287-L319 HydrophobicContact CB-CD2 4.41Å
288S98.6Very high98.5Very high0 Ų037.9 Ų37.90%019%0.194CC..Hα-helixtrans-61.8-46.3174.2-179.10000112.1V282 N285 E290 L291 L292V282-S288 VanDerWaalsContact CA-OG 3.27Å; V282-S288 WeakPolarHBondContact CA-OG 3.46Å; V282-S288 PolarHBondContact O-OG 3.07Å; N285-S288 WeakPolarHBondContact O-CB 3.35Å; N285-S288 PolarHBondContact O-N 2.83Å; N285-S288 VanDerWaalsContact O-N 3.11Å; N285-S288 PolarHBondContact OD1-N 3.15Å; S288-E290 VanDerWaalsContact C-N 3.32Å; S288-E290 PolarHBondContact O-N 3.5Å; S288-L291 PolarHBondContact O-N 3.17Å; S288-L292 PolarHBondContact O-N 2.91Å
289I98.8Very high98.5Very high63 Ų6343.1 Ų43.132%0.32322%0.218SC..Hα-helixtrans-60.5-42.3177.9-68.2166.3000110.6N285 P286 L291 L292 N293N285-I289 WeakPolarHBondContact O-CG1 3.48Å; N285-I289 PolarHBondContact O-N 3.39Å; P286-I289 PolarHBondContact O-N 3.41Å; I289-L291 PolarHBondContact O-N 3.2Å; I289-L292 PolarHBondContact O-N 2.85Å; I289-N293 VanDerWaalsContact O-CG 3.23Å; I289-N293 PolarHBondContact O-N 2.77Å; I289-N293 PolarHBondContact O-ND2 3.02Å
290E98.8Very high98.4Very high35 Ų3549.3 Ų49.316%0.16425%0.246CC..Hα-helixtrans-60.6-45.4175.7-172.8179.8-178.300111.6R257 P259 S260 F261 P286 N287 S288 L292 N293 I294R257-E290 IonicContact NH1-OE1 3.41Å; R257-E290 PolarHBondContact NH1-OE1 2.03Å; P259-E290 VanDerWaalsContact CA-OE1 3.29Å; P259-E290 WeakPolarHBondContact CA-OE1 3.21Å; P259-E290 HydrophobicContact CB-CG 4.41Å; S260-E290 WeakPolarHBondContact CB-OE2 3.46Å; S260-E290 PolarHBondContact N-OE1 3.28Å; S260-E290 PolarHBondContact N-OE2 3.48Å; S260-E290 PolarHBondContact OG-OE2 3.08Å; F261-E290 HydrophobicContact CE1-CB 4.35Å; F261-E290 WeakPolarHBondContact CE1-OE2 3.39Å; P286-E290 WeakPolarHBondContact O-CB 3.5Å; P286-E290 PolarHBondContact O-N 3.07Å; N287-E290 PolarHBondContact O-N 3.42Å; S288-E290 VanDerWaalsContact C-N 3.32Å; S288-E290 PolarHBondContact O-N 3.5Å; E290-L292 VanDerWaalsContact C-N 3.33Å; E290-L292 PolarHBondContact O-N 2.75Å; E290-N293 PolarHBondContact O-N 2.86Å; E290-I294 HydrophobicContact CG-CD1 4.23Å; E290-I294 WeakPolarHBondContact O-CG1 3.4Å; E290-I294 PolarHBondContact O-N 2.73Å
291L98.5Very high98.3Very high0 Ų049.7 Ų49.70%025%0.245CC..Hα-helixtrans-62-40.4176.3-65173.3000112.1P259 F261 V263 W265 N287 S288 I289 N293 I294 L295 F309 T312 L313 L319P259-L291 HydrophobicContact CB-CD2 4.09Å; P259-L291 HydrophobicContact CG-CD2 3.93Å; F261-L291 HydrophobicContact CE2-CD1 4.41Å; F261-L291 HydrophobicContact CE2-CD2 4.41Å; F261-L291 HydrophobicContact CZ-CD1 4.05Å; F261-L291 HydrophobicContact CZ-CD2 3.92Å; F261-L291 HydrophobicContact CZ-CG 3.81Å; V263-L291 HydrophobicContact CG1-CD2 4.09Å; W265-L291 HydrophobicContact CH2-CB 4.15Å; W265-L291 HydrophobicContact CH2-CD2 3.87Å; W265-L291 HydrophobicContact CH2-CG 4.5Å; W265-L291 HydrophobicContact CZ2-CD2 3.68Å; N287-L291 WeakPolarHBondContact O-CG 3.48Å; N287-L291 PolarHBondContact O-N 2.85Å; N287-L291 VanDerWaalsContact O-N 3.08Å; S288-L291 PolarHBondContact O-N 3.17Å; I289-L291 PolarHBondContact O-N 3.2Å; L291-N293 VanDerWaalsContact C-N 3.35Å; L291-I294 PolarHBondContact O-N 3.01Å; L291-L295 WeakPolarHBondContact O-CG 3.26Å; L291-L295 PolarHBondContact O-N 2.91Å; L291-F309 HydrophobicContact CB-CD2 4.47Å; L291-F309 HydrophobicContact CB-CE2 4.15Å; L291-T312 HydrophobicContact CD1-CG2 4.32Å; L291-L313 HydrophobicContact CD1-CD2 3.69Å; L291-L319 HydrophobicContact CD1-CD1 4.5Å
292L98.6Very high98.1Very high8 Ų853.2 Ų53.24%0.04226%0.264CS..Hα-helixtrans-62-42.3174.2-75.5177000112L192 L196 V282 S288 I289 E290 L295 R296 F309L192-L292 HydrophobicContact CD2-CD2 4.14Å; L196-L292 HydrophobicContact CD1-CD1 4.21Å; L196-L292 HydrophobicContact CD1-CD2 3.55Å; V282-L292 HydrophobicContact CG1-CD1 4.42Å; S288-L292 PolarHBondContact O-N 2.91Å; I289-L292 PolarHBondContact O-N 2.85Å; E290-L292 VanDerWaalsContact C-N 3.33Å; E290-L292 PolarHBondContact O-N 2.75Å; L292-L295 PolarHBondContact O-N 3.25Å; L292-R296 WeakPolarHBondContact O-CB 3.12Å; L292-R296 PolarHBondContact O-N 3.16Å; L292-F309 HydrophobicContact CD1-CE2 4.44Å; L292-F309 HydrophobicContact CD1-CZ 3.9Å; L292-F309 HydrophobicContact CD2-CD1 4.03Å; L292-F309 HydrophobicContact CD2-CD2 3.8Å; L292-F309 HydrophobicContact CD2-CE1 3.65Å; L292-F309 HydrophobicContact CD2-CE2 3.41Å; L292-F309 VanDerWaalsContact CD2-CE2 3.41Å; L292-F309 HydrophobicContact CD2-CG 4.1Å; L292-F309 HydrophobicContact CD2-CZ 3.33Å; L292-F309 HydrophobicContact CG-CD2 4.32Å; L292-F309 HydrophobicContact CG-CE1 4.19Å; L292-F309 HydrophobicContact CG-CE2 3.49Å; L292-F309 VanDerWaalsContact CG-CE2 3.49Å; L292-F309 HydrophobicContact CG-CZ 3.4Å; L292-F309 VanDerWaalsContact CG-CZ 3.4Å
293N98.6Very high98Very high62 Ų6254.3 Ų54.333%0.33227%0.268SS..Hα-helixtrans-63.4-44.1177.7-69.9-16.6000111.3I289 E290 L291 L295 R296 E297I289-N293 VanDerWaalsContact O-CG 3.23Å; I289-N293 PolarHBondContact O-N 2.77Å; I289-N293 PolarHBondContact O-ND2 3.02Å; E290-N293 PolarHBondContact O-N 2.86Å; L291-N293 VanDerWaalsContact C-N 3.35Å; N293-L295 VanDerWaalsContact C-N 3.33Å; N293-L295 PolarHBondContact O-N 3.23Å; N293-R296 PolarHBondContact O-N 3Å; N293-R296 VanDerWaalsContact O-N 3.11Å; N293-R296 PolarHBondContact OD1-NH1 2.92Å; N293-E297 VanDerWaalsContact O-CG 3.3Å; N293-E297 WeakPolarHBondContact O-CG 3.49Å; N293-E297 PolarHBondContact O-N 3.31Å
294I98.4Very high97.8Very high1 Ų153.1 Ų53.11%0.00526%0.263CS..Hα-helixtrans-56-46.8174.1-70.8169.1000111.3P255 R257 P259 W265 E290 L291 R296P255-I294 HydrophobicContact CB-CG2 3.25Å; P255-I294 HydrophobicContact CG-CG2 3.71Å; R257-I294 HydrophobicContact CG-CG1 4.45Å; R257-I294 VanDerWaalsContact NH2-CG1 3.3Å; P259-I294 HydrophobicContact CB-CD1 3.67Å; P259-I294 HydrophobicContact CG-CD1 4.26Å; W265-I294 HydrophobicContact CZ2-CG2 4.23Å; E290-I294 HydrophobicContact CG-CD1 4.23Å; E290-I294 WeakPolarHBondContact O-CG1 3.4Å; E290-I294 PolarHBondContact O-N 2.73Å; L291-I294 PolarHBondContact O-N 3.01Å; I294-R296 VanDerWaalsContact C-N 3.32Å; I294-R296 PolarHBondContact O-N 2.91Å
295L98.1Very high97.7Very high9 Ų947.7 Ų47.75%0.04724%0.237CC..Hα-helixtrans-67.2-34.4178.4-64.9171.3000112.1F189 L192 P255 W265 L291 L292 N293 E298 Q299 P305 F309F189-L295 HydrophobicContact CD2-CB 3.89Å; F189-L295 HydrophobicContact CE2-CB 3.86Å; L192-L295 HydrophobicContact CD2-CD1 4.26Å; P255-L295 HydrophobicContact CG-CD2 3.72Å; W265-L295 HydrophobicContact CH2-CD1 4Å; W265-L295 HydrophobicContact CH2-CD2 3.72Å; W265-L295 HydrophobicContact CH2-CG 3.77Å; W265-L295 HydrophobicContact CZ2-CD2 4.49Å; W265-L295 HydrophobicContact CZ3-CD1 4.06Å; W265-L295 HydrophobicContact CZ3-CD2 3.9Å; W265-L295 HydrophobicContact CZ3-CG 4.2Å; L291-L295 WeakPolarHBondContact O-CG 3.26Å; L291-L295 PolarHBondContact O-N 2.91Å; L292-L295 PolarHBondContact O-N 3.25Å; N293-L295 VanDerWaalsContact C-N 3.33Å; N293-L295 PolarHBondContact O-N 3.23Å; L295-E298 CarbonylContact O-C 3.56Å; L295-E298 PolarHBondContact O-N 2.9Å; L295-Q299 PolarHBondContact O-N 3.27Å; L295-P305 HydrophobicContact CB-CB 4.29Å; L295-P305 HydrophobicContact CD1-CB 4.17Å; L295-P305 HydrophobicContact CD2-CB 3.84Å; L295-P305 HydrophobicContact CG-CB 4.32Å; L295-F309 HydrophobicContact CD1-CB 3.82Å; L295-F309 HydrophobicContact CD1-CD2 3.75Å; L295-F309 HydrophobicContact CD1-CG 4.11Å
296R97.9Very high97.6Very high86 Ų8646.2 Ų46.233%0.32523%0.229SC..Hα-helixtrans-72.4-35.5179.1-167.9-179.5-61.2108.6-0.4112.7F189 L292 N293 I294 E298 Q299F189-R296 HydrophobicContact CD1-CG 4.43Å; F189-R296 HydrophobicContact CE1-CB 4.28Å; F189-R296 HydrophobicContact CE1-CG 4.13Å; F189-R296 HydrophobicContact CE2-CB 4.32Å; F189-R296 HydrophobicContact CZ-CB 4.11Å; F189-R296 HydrophobicContact CZ-CG 4.43Å; L292-R296 WeakPolarHBondContact O-CB 3.12Å; L292-R296 PolarHBondContact O-N 3.16Å; N293-R296 PolarHBondContact O-N 3Å; N293-R296 VanDerWaalsContact O-N 3.11Å; N293-R296 PolarHBondContact OD1-NH1 2.92Å; I294-R296 VanDerWaalsContact C-N 3.32Å; I294-R296 PolarHBondContact O-N 2.91Å; R296-E298 PolarHBondContact O-N 2.81Å; R296-Q299 WeakPolarHBondContact O-CB 3.35Å; R296-Q299 WeakPolarHBondContact O-CG 3.46Å; R296-Q299 PolarHBondContact O-N 3.49Å; R296-Q299 VanDerWaalsContact O-N 3.1Å; R296-Q299 PolarHBondContact O-NE2 3.2Å
297E98.3Very high97.5Very high96 Ų9643.1 Ų43.145%0.44921%0.206SC..Hα-helixtrans-57.7-34.8173.7-73.6160.1-151.100111.5R257 N293 H300R257-E297 IonicContact CZ-OE1 3.16Å; R257-E297 IonicContact CZ-OE2 2.61Å; R257-E297 IonicContact NE-OE1 3.25Å; R257-E297 PolarHBondContact NE-OE1 3.36Å; R257-E297 IonicContact NE-OE2 2.83Å; R257-E297 PolarHBondContact NE-OE2 3.11Å; R257-E297 IonicContact NH2-OE1 3.2Å; R257-E297 PolarHBondContact NH2-OE1 3.24Å; R257-E297 IonicContact NH2-OE2 2.87Å; N293-E297 VanDerWaalsContact O-CG 3.3Å; N293-E297 WeakPolarHBondContact O-CG 3.49Å; N293-E297 PolarHBondContact O-N 3.31Å; E297-H300 PolarHBondContact O-CE1 3.28Å
298E97.5Very high97.3Very high24 Ų2440.8 Ų40.811%0.11219%0.194CC..THydrogen-bonded Turntrans-99.420178.2-65.6-171.9160.200113.5P255 R256 L295 R296 H300 L301 K303P255-E298 VanDerWaalsContact CA-OE2 3.31Å; P255-E298 WeakPolarHBondContact CA-OE2 3.37Å; R256-E298 WeakPolarHBondContact CB-OE1 3.43Å; R256-E298 WeakPolarHBondContact CG-OE1 3.46Å; R256-E298 PolarHBondContact N-OE1 3.22Å; L295-E298 CarbonylContact O-C 3.56Å; L295-E298 PolarHBondContact O-N 2.9Å; R296-E298 PolarHBondContact O-N 2.81Å; E298-H300 PolarHBondContact O-N 2.87Å; E298-L301 HydrophobicContact CB-CD1 4.05Å; E298-L301 HydrophobicContact CB-CG 4.43Å; E298-L301 HydrophobicContact CG-CD1 4.09Å; E298-L301 WeakPolarHBondContact O-CB 3.49Å; E298-L301 PolarHBondContact O-N 3.46Å; E298-K303 IonicContact OE1-NZ 2.63Å; E298-K303 PolarHBondContact OE1-NZ 2.82Å; E298-K303 VanDerWaalsContact OE1-NZ 3.14Å; E298-K303 WeakPolarHBondContact OE2-CD 3.44Å; E298-K303 VanDerWaalsContact OE2-CE 3.23Å; E298-K303 WeakPolarHBondContact OE2-CE 3.15Å; E298-K303 IonicContact OE2-NZ 3.98Å; E298-K303 PolarHBondContact OE2-NZ 3.36Å
299Q97.6Very high97.3Very high109 Ų10940.8 Ų40.851%0.50919%0.194SC..THydrogen-bonded Turntrans-58.1-21.4-176.265.5-174.8-55.400114.9Y188 F189 L295 R296 L301Y188-Q299 WeakPolarHBondContact CD1-O 3.44Å; F189-Q299 HydrophobicContact CB-CB 3.62Å; F189-Q299 HydrophobicContact CG-CB 4.25Å; L295-Q299 PolarHBondContact O-N 3.27Å; R296-Q299 WeakPolarHBondContact O-CB 3.35Å; R296-Q299 WeakPolarHBondContact O-CG 3.46Å; R296-Q299 PolarHBondContact O-N 3.49Å; R296-Q299 VanDerWaalsContact O-N 3.1Å; R296-Q299 PolarHBondContact O-NE2 3.2Å; Q299-L301 VanDerWaalsContact C-N 3.31Å
300H96.9Very high97.2Very high133 Ų13338 Ų3862%0.61618%0.179SC*.THydrogen-bonded Turntrans-82.6-6.2177.262.2-82.5000113.1Y188 E297 E298Y188-H300 WeakPolarHBondContact CE1-O 3.38Å; E297-H300 PolarHBondContact O-CE1 3.28Å; E298-H300 PolarHBondContact O-N 2.87Å
301L97.1Very high97.1Very high46 Ų4636.3 Ų36.324%0.24117%0.172CC..SBendtrans-100.7137178.4-56.8-179.2000110.6E298 Q299 K303E298-L301 HydrophobicContact CB-CD1 4.05Å; E298-L301 HydrophobicContact CB-CG 4.43Å; E298-L301 HydrophobicContact CG-CD1 4.09Å; E298-L301 WeakPolarHBondContact O-CB 3.49Å; E298-L301 PolarHBondContact O-N 3.46Å; Q299-L301 VanDerWaalsContact C-N 3.31Å; L301-K303 VanDerWaalsContact C-N 3.25Å; L301-K303 HydrophobicContact CB-CD 4.31Å; L301-K303 HydrophobicContact CB-CG 4.02Å; L301-K303 HydrophobicContact CD1-CD 4.46Å; L301-K303 PolarHBondContact O-N 2.87Å
302M95.7Very high97Very high97 Ų9736.3 Ų36.348%0.47817%0.172SC..  trans-77.674.7177.1-167.6-175.9-177.800111W186 G187 Y188W186-M302 HydrophobicContact CE3-CE 3.47Å; W186-M302 VanDerWaalsContact CE3-CE 3.47Å; W186-M302 HydrophobicContact CH2-CE 4.07Å; W186-M302 HydrophobicContact CZ3-CE 3.18Å; G187-M302 CarbonylContact O-C 3.43Å; G187-M302 WeakPolarHBondContact O-CA 3.32Å; Y188-M302 HydrophobicContact CD2-CG 4.43Å; Y188-M302 HydrophobicContact CE1-CB 4.06Å; Y188-M302 HydrophobicContact CE2-CB 4.03Å; Y188-M302 HydrophobicContact CE2-CG 3.96Å; Y188-M302 HydrophobicContact CE2-SD 4.5Å
303K95.2Very high96.9Very high25 Ų2536 Ų3611%0.10917%0.17CC..  trans-106.1-5.3-177.5-70.6-170.2173.5-167.90114.5G187 K252 R253 I254 E298 L301G187-K303 PolarHBondContact O-N 3.31Å; K252-K303 VanDerWaalsContact O-CE 3.24Å; K252-K303 WeakPolarHBondContact O-CE 3.27Å; R253-K303 WeakPolarHBondContact CB-O 3.5Å; R253-K303 WeakPolarHBondContact CD-O 3.44Å; R253-K303 VanDerWaalsContact CG-O 3.23Å; R253-K303 WeakPolarHBondContact CG-O 3.21Å; I254-K303 PolarHBondContact O-NZ 3.31Å; E298-K303 IonicContact OE1-NZ 2.63Å; E298-K303 PolarHBondContact OE1-NZ 2.82Å; E298-K303 VanDerWaalsContact OE1-NZ 3.14Å; E298-K303 WeakPolarHBondContact OE2-CD 3.44Å; E298-K303 VanDerWaalsContact OE2-CE 3.23Å; E298-K303 WeakPolarHBondContact OE2-CE 3.15Å; E298-K303 IonicContact OE2-NZ 3.98Å; E298-K303 PolarHBondContact OE2-NZ 3.36Å; L301-K303 VanDerWaalsContact C-N 3.25Å; L301-K303 HydrophobicContact CB-CD 4.31Å; L301-K303 HydrophobicContact CB-CG 4.02Å; L301-K303 HydrophobicContact CD1-CD 4.46Å; L301-K303 PolarHBondContact O-N 2.87Å
304I95.3Very high96.8Very high11 Ų1133.2 Ų33.26%0.05616%0.155CC..  trans57.458177.3-44.5173000110.8W186 G187 D306 E307W186-I304 HydrophobicContact CH2-CD1 4.35Å; W186-I304 HydrophobicContact CZ2-CD1 4.31Å; G187-I304 WeakPolarHBondContact O-CA 3.06Å; G187-I304 PolarHBondContact O-N 3Å; I304-D306 VanDerWaalsContact C-N 3.26Å; I304-D306 WeakPolarHBondContact CG2-OD1 3.45Å; I304-D306 PolarHBondContact O-N 2.93Å; I304-E307 HydrophobicContact CG2-CB 3.85Å; I304-E307 HydrophobicContact CG2-CG 3.66Å; I304-E307 PolarHBondContact O-N 3.45Å
305P96.5Very high96.7Very high7 Ų734.4 Ų34.45%0.04516%0.16CC..G310 helixtrans-67.8-25.5-172.429.3-36.3000113.5F189 L295 E307 M308 F309F189-P305 VanDerWaalsContact CA-CG 3.48Å; F189-P305 HydrophobicContact CB-CG 4.14Å; F189-P305 HydrophobicContact CD2-CB 4.47Å; F189-P305 HydrophobicContact CD2-CG 4.19Å; L295-P305 HydrophobicContact CB-CB 4.29Å; L295-P305 HydrophobicContact CD1-CB 4.17Å; L295-P305 HydrophobicContact CD2-CB 3.84Å; L295-P305 HydrophobicContact CG-CB 4.32Å; P305-E307 PolarHBondContact O-N 3.24Å; P305-M308 PolarHBondContact O-N 3.43Å; P305-F309 PolarHBondContact O-N 3.3Å
306D96.9Very high96.5Very high9 Ų934.2 Ų34.25%0.04816%0.159CC..G310 helixtrans-60.5-31.5174.259.6-60.3000112.4V191 L192 F270 I304 M308V191-D306 HydrophobicContact CB-CB 4.22Å; V191-D306 HydrophobicContact CG1-CB 3.95Å; L192-D306 HydrophobicContact CB-CB 4.1Å; F270-D306 HydrophobicContact CB-CB 4.14Å; F270-D306 HydrophobicContact CD1-CB 4.23Å; F270-D306 HydrophobicContact CD2-CB 3.61Å; F270-D306 WeakPolarHBondContact CD2-O 3.04Å; F270-D306 HydrophobicContact CE2-CB 3.94Å; F270-D306 HydrophobicContact CG-CB 3.75Å; F270-D306 HydrophobicContact CZ-CB 4.39Å; I304-D306 VanDerWaalsContact C-N 3.26Å; I304-D306 WeakPolarHBondContact CG2-OD1 3.45Å; I304-D306 PolarHBondContact O-N 2.93Å; D306-M308 VanDerWaalsContact C-N 3.29Å; D306-M308 PolarHBondContact O-N 2.89Å
307E95.8Very high96.3Very high32 Ų3232.3 Ų32.315%0.1516%0.158CC..G310 helixtrans-87.213.8173.1-69.8-175.6-172.300113.5R253 K267 G268 I304 P305R253-E307 IonicContact CZ-OE2 3.79Å; R253-E307 IonicContact NH1-OE2 2.65Å; R253-E307 PolarHBondContact NH1-OE2 3.38Å; R253-E307 IonicContact NH2-OE2 3.14Å; K267-E307 CarbonylContact C-O 3.48Å; K267-E307 WeakPolarHBondContact CA-O 3.47Å; G268-E307 PolarHBondContact N-O 3.22Å; G268-E307 WeakPolarHBondContact O-CB 3.34Å; I304-E307 HydrophobicContact CG2-CB 3.85Å; I304-E307 HydrophobicContact CG2-CG 3.66Å; I304-E307 PolarHBondContact O-N 3.45Å; P305-E307 PolarHBondContact O-N 3.24Å
308M95.1Very high96.2Very high3 Ų332.4 Ų32.42%0.01516%0.158CC..THydrogen-bonded Turntrans-132.3-37.3-179.5-66.6-172.561.300113.6R253 I254 W265 I266 P305 D306 S311 T312R253-M308 HydrophobicContact CB-SD 3.55Å; R253-M308 VanDerWaalsContact CB-SD 3.55Å; I254-M308 HydrophobicContact CG1-CE 4.19Å; W265-M308 HydrophobicContact CB-CE 3.61Å; W265-M308 HydrophobicContact CD2-CE 4.07Å; W265-M308 HydrophobicContact CE3-CB 4.25Å; W265-M308 HydrophobicContact CE3-CE 3.86Å; W265-M308 HydrophobicContact CG-CE 4.01Å; I266-M308 WeakPolarHBondContact O-CA 3.31Å; P305-M308 PolarHBondContact O-N 3.43Å; D306-M308 VanDerWaalsContact C-N 3.29Å; D306-M308 PolarHBondContact O-N 2.89Å; M308-S311 PolarHBondContact O-OG 3.13Å; M308-T312 WeakPolarHBondContact O-CB 3.1Å; M308-T312 PolarHBondContact O-N 3.31Å; M308-T312 PolarHBondContact O-OG1 2.91Å
309F97.6Very high96.2Very high0 Ų031.8 Ų31.80%016%0.156CC..Hα-helixtrans-61.9-60.7-169.4178.9-114.2000113.2L192 L196 V282 L291 L292 L295 P305 S311 T312 L313L192-F309 HydrophobicContact CD1-CD1 4.02Å; L192-F309 HydrophobicContact CD2-CB 3.69Å; L192-F309 HydrophobicContact CD2-CD1 4.01Å; L192-F309 HydrophobicContact CD2-CG 3.89Å; L196-F309 HydrophobicContact CD2-CE1 4.39Å; V282-F309 HydrophobicContact CG1-CE1 3.7Å; V282-F309 HydrophobicContact CG1-CZ 3.96Å; V282-F309 HydrophobicContact CG2-CE1 4.05Å; V282-F309 HydrophobicContact CG2-CZ 4.36Å; L291-F309 HydrophobicContact CB-CD2 4.47Å; L291-F309 HydrophobicContact CB-CE2 4.15Å; L292-F309 HydrophobicContact CD1-CE2 4.44Å; L292-F309 HydrophobicContact CD1-CZ 3.9Å; L292-F309 HydrophobicContact CD2-CD1 4.03Å; L292-F309 HydrophobicContact CD2-CD2 3.8Å; L292-F309 HydrophobicContact CD2-CE1 3.65Å; L292-F309 HydrophobicContact CD2-CE2 3.41Å; L292-F309 VanDerWaalsContact CD2-CE2 3.41Å; L292-F309 HydrophobicContact CD2-CG 4.1Å; L292-F309 HydrophobicContact CD2-CZ 3.33Å; L292-F309 HydrophobicContact CG-CD2 4.32Å; L292-F309 HydrophobicContact CG-CE1 4.19Å; L292-F309 HydrophobicContact CG-CE2 3.49Å; L292-F309 VanDerWaalsContact CG-CE2 3.49Å; L292-F309 HydrophobicContact CG-CZ 3.4Å; L292-F309 VanDerWaalsContact CG-CZ 3.4Å; L295-F309 HydrophobicContact CD1-CB 3.82Å; L295-F309 HydrophobicContact CD1-CD2 3.75Å; L295-F309 HydrophobicContact CD1-CG 4.11Å; P305-F309 PolarHBondContact O-N 3.3Å; F309-S311 PolarHBondContact O-N 3.07Å; F309-T312 WeakPolarHBondContact O-CB 3.5Å; F309-T312 PolarHBondContact O-N 3.09Å; F309-L313 HydrophobicContact CE1-CD1 3.98Å; F309-L313 HydrophobicContact CE2-CD1 3.94Å; F309-L313 HydrophobicContact CE2-CG 4.36Å; F309-L313 HydrophobicContact CZ-CD1 3.57Å; F309-L313 HydrophobicContact CZ-CG 4.46Å; F309-L313 PolarHBondContact O-N 2.69Å; F309-L313 VanDerWaalsContact O-N 3.13Å
310F98Very high96.2Very high4 Ų432.3 Ų32.32%0.01816%0.161CC..Hα-helixtrans-65.4-39.5-175.9-62-52.9000113.1L192 F195 L196 I242 F270 V272 L274 F278 V282 T312 L313 A314L192-F310 HydrophobicContact CD1-CE2 3.81Å; L192-F310 HydrophobicContact CD1-CZ 3.77Å; F195-F310 AromaticContact CD1-CE2 3.63Å; F195-F310 HydrophobicContact CD1-CE2 3.63Å; F195-F310 AromaticContact CD1-CZ 3.51Å; F195-F310 HydrophobicContact CD1-CZ 3.51Å; F195-F310 HydrophobicContact CE1-CE1 4.45Å; F195-F310 AromaticContact CE1-CE2 3.62Å; F195-F310 HydrophobicContact CE1-CE2 3.62Å; F195-F310 AromaticContact CE1-CZ 3.46Å; F195-F310 HydrophobicContact CE1-CZ 3.46Å; F195-F310 VanDerWaalsContact CE1-CZ 3.46Å; L196-F310 HydrophobicContact CD2-CZ 4.44Å; I242-F310 HydrophobicContact CD1-CB 4.18Å; I242-F310 HydrophobicContact CG1-CB 4.47Å; I242-F310 HydrophobicContact CG2-CB 4.17Å; F270-F310 HydrophobicContact CD2-CD2 4.13Å; F270-F310 AromaticContact CD2-CE2 3.88Å; F270-F310 HydrophobicContact CD2-CE2 3.88Å; F270-F310 HydrophobicContact CE2-CD2 4.38Å; F270-F310 AromaticContact CE2-CE2 3.67Å; F270-F310 HydrophobicContact CE2-CE2 3.67Å; V272-F310 HydrophobicContact CG1-CB 4.48Å; V272-F310 HydrophobicContact CG1-CD2 4.13Å; V272-F310 HydrophobicContact CG2-CD2 4.34Å; V272-F310 HydrophobicContact CG2-CE2 4.41Å; L274-F310 HydrophobicContact CD1-CD1 3.99Å; L274-F310 HydrophobicContact CD1-CE1 3.8Å; L274-F310 HydrophobicContact CD1-CE2 4.37Å; L274-F310 HydrophobicContact CD1-CG 4.38Å; L274-F310 HydrophobicContact CD1-CZ 4.02Å; F278-F310 AromaticContact CE1-CD1 3.84Å; F278-F310 HydrophobicContact CE1-CD1 3.84Å; F278-F310 HydrophobicContact CZ-CD1 4.45Å; V282-F310 HydrophobicContact CG2-CD1 4.34Å; V282-F310 HydrophobicContact CG2-CE1 4.09Å; F310-T312 VanDerWaalsContact C-N 3.31Å; F310-T312 PolarHBondContact O-N 3.03Å; F310-L313 PolarHBondContact O-N 3.15Å; F310-A314 VanDerWaalsContact O-CB 3.24Å; F310-A314 WeakPolarHBondContact O-CB 3.33Å; F310-A314 PolarHBondContact O-N 3.39Å
311S95.5Very high96.3Very high1 Ų126 Ų261%0.00713%0.132CC..Hα-helixtrans-65.9-34.317644.20000112.2I266 G268 M308 F309 A314 Y315I266-S311 PolarHBondContact O-OG 3.09Å; G268-S311 PolarHBondContact N-OG 3Å; M308-S311 PolarHBondContact O-OG 3.13Å; F309-S311 PolarHBondContact O-N 3.07Å; S311-A314 PolarHBondContact O-N 2.84Å; S311-Y315 WeakPolarHBondContact O-CB 3.44Å; S311-Y315 WeakPolarHBondContact O-CD2 3.48Å; S311-Y315 PolarHBondContact O-N 3.05Å
312T95.7Very high96.4Very high0 Ų025.3 Ų25.30%013%0.131CC..Hα-helixtrans-63.6-46.6173.8-62.70000110.6V263 W265 I266 L291 M308 F309 F310 A314 N316V263-T312 HydrophobicContact CG2-CG2 3.51Å; W265-T312 HydrophobicContact CD2-CG2 4.39Å; W265-T312 HydrophobicContact CE3-CG2 3.97Å; W265-T312 VanDerWaalsContact CE3-OG1 3.31Å; W265-T312 HydrophobicContact CZ3-CG2 4.31Å; I266-T312 PolarHBondContact N-OG1 3.03Å; I266-T312 PolarHBondContact O-OG1 3.17Å; L291-T312 HydrophobicContact CD1-CG2 4.32Å; M308-T312 WeakPolarHBondContact O-CB 3.1Å; M308-T312 PolarHBondContact O-N 3.31Å; M308-T312 PolarHBondContact O-OG1 2.91Å; F309-T312 WeakPolarHBondContact O-CB 3.5Å; F309-T312 PolarHBondContact O-N 3.09Å; F310-T312 VanDerWaalsContact C-N 3.31Å; F310-T312 PolarHBondContact O-N 3.03Å; T312-A314 PolarHBondContact O-N 3.32Å; T312-N316 WeakPolarHBondContact O-CB 3.43Å; T312-N316 PolarHBondContact O-N 2.89Å; T312-N316 PolarHBondContact O-ND2 3.16Å
313L97.6Very high96.5Very high0 Ų020.9 Ų20.90%011%0.109CC..Hα-helixtrans-63.7-40.8175.8-66.7-178.9000112.8F278 Y281 V282 L291 F309 F310 L319F278-L313 HydrophobicContact CE2-CB 4.05Å; F278-L313 HydrophobicContact CZ-CB 3.78Å; F278-L313 HydrophobicContact CZ-CD1 4.22Å; Y281-L313 HydrophobicContact CE1-CD1 4.49Å; Y281-L313 HydrophobicContact CE1-CD2 4.12Å; V282-L313 HydrophobicContact CG2-CD1 3.73Å; L291-L313 HydrophobicContact CD1-CD2 3.69Å; F309-L313 HydrophobicContact CE1-CD1 3.98Å; F309-L313 HydrophobicContact CE2-CD1 3.94Å; F309-L313 HydrophobicContact CE2-CG 4.36Å; F309-L313 HydrophobicContact CZ-CD1 3.57Å; F309-L313 HydrophobicContact CZ-CG 4.46Å; F309-L313 PolarHBondContact O-N 2.69Å; F309-L313 VanDerWaalsContact O-N 3.13Å; F310-L313 PolarHBondContact O-N 3.15Å; L313-L319 HydrophobicContact CD2-CD1 3.88Å
314A96.7Very high96.6Very high4 Ų419.7 Ų19.73%0.03310%0.104CC..Hα-helixtrans-79-18.1-173.200000115.1I242 F278 F310 S311 T312 A324 C325I242-A314 HydrophobicContact CB-CB 4.3Å; I242-A314 HydrophobicContact CD1-CB 3.44Å; I242-A314 VanDerWaalsContact CD1-CB 3.44Å; I242-A314 HydrophobicContact CG1-CB 4.48Å; I242-A314 HydrophobicContact CG2-CB 4.38Å; F278-A314 HydrophobicContact CE2-CB 4.47Å; F310-A314 VanDerWaalsContact O-CB 3.24Å; F310-A314 WeakPolarHBondContact O-CB 3.33Å; F310-A314 PolarHBondContact O-N 3.39Å; S311-A314 PolarHBondContact O-N 2.84Å; T312-A314 PolarHBondContact O-N 3.32Å; A314-A324 WeakPolarHBondContact O-CB 3.47Å; A314-C325 PolarHBondContact O-N 3.1Å
315Y94.9Very high96.6Very high26 Ų2619.3 Ų19.310%0.10210%0.103CC..THydrogen-bonded Turntrans-122.818.2-177.2-66.7-74.8000113.6I242 C244 I266 S311 C325 F328I242-Y315 PolarHBondContact O-OH 3.43Å; I242-Y315 VanDerWaalsContact O-OH 3.05Å; C244-Y315 HydrophobicContact CB-CD2 3.71Å; C244-Y315 HydrophobicContact CB-CE2 3.37Å; C244-Y315 HydrophobicContact CB-CG 4.45Å; C244-Y315 PolarHBondContact SG-OH 3.48Å; C244-Y315 VanDerWaalsContact SG-OH 3.42Å; I266-Y315 HydrophobicContact CG2-CD2 4.41Å; S311-Y315 WeakPolarHBondContact O-CB 3.44Å; S311-Y315 WeakPolarHBondContact O-CD2 3.48Å; S311-Y315 PolarHBondContact O-N 3.05Å; Y315-C325 HydrophobicContact CD1-CB 3.89Å; Y315-C325 HydrophobicContact CE1-CB 3.58Å; Y315-F328 HydrophobicContact CD1-CD2 4.03Å; Y315-F328 HydrophobicContact CG-CD2 4.04Å
316N94.8Very high96.5Very high5 Ų524.4 Ų24.43%0.02712%0.124CC..  trans-11483.4163-78.2-93.7000107.9V263 T264 T312 Q318 L319V263-N316 HydrophobicContact CG2-CB 4.23Å; T264-N316 PolarHBondContact N-OD1 3.05Å; T264-N316 PolarHBondContact O-ND2 2.69Å; T312-N316 WeakPolarHBondContact O-CB 3.43Å; T312-N316 PolarHBondContact O-N 2.89Å; T312-N316 PolarHBondContact O-ND2 3.16Å; N316-Q318 VanDerWaalsContact CA-OE1 3.29Å; N316-Q318 PolarHBondContact O-N 3.22Å; N316-Q318 VanDerWaalsContact O-N 3.09Å; N316-Q318 PolarHBondContact OD1-NE2 2.79Å; N316-L319 HydrophobicContact CB-CD1 3.74Å; N316-L319 HydrophobicContact CB-CG 3.85Å; N316-L319 VanDerWaalsContact O-CB 3.3Å; N316-L319 WeakPolarHBondContact O-CB 3.43Å; N316-L319 PolarHBondContact O-N 3.22Å
317P94.7Very high96.3Very high46 Ų4631 Ų3130%0.29915%0.153SC..G310 helixtrans-60.8-23.5-171.324.5-35000113.6L319 L320 I431P317-L319 PolarHBondContact O-N 3.42Å; P317-L319 VanDerWaalsContact O-N 3.17Å; P317-L320 PolarHBondContact O-N 2.86Å; P317-I431 HydrophobicContact CB-CD1 3.88Å; P317-I431 WeakPolarHBondContact O-CD1 3.3Å
318Q95.8Very high96Very high99 Ų9933 Ų3346%0.46316%0.161SC..G310 helixtrans-62.8-17.4173.176.3-78.612.900113.7N262 N316 L320N262-Q318 PolarHBondContact O-NE2 3.35Å; N316-Q318 VanDerWaalsContact CA-OE1 3.29Å; N316-Q318 PolarHBondContact O-N 3.22Å; N316-Q318 VanDerWaalsContact O-N 3.09Å; N316-Q318 PolarHBondContact OD1-NE2 2.79Å; Q318-L320 VanDerWaalsContact C-N 3.27Å
319L97.5Very high95.7Very high10 Ų1036.4 Ų36.45%0.05217%0.174CC..G310 helixtrans-78.6-12.1174.8-61-177000113F261 V263 Y281 N287 L291 L313 N316 P317 A321F261-L319 HydrophobicContact CD2-CD2 3.74Å; F261-L319 HydrophobicContact CE2-CD1 4.44Å; F261-L319 HydrophobicContact CE2-CD2 3.51Å; F261-L319 HydrophobicContact CZ-CD2 4.4Å; V263-L319 HydrophobicContact CG2-CD1 4.1Å; Y281-L319 WeakPolarHBondContact CE2-O 3.23Å; Y281-L319 PolarHBondContact OH-O 3.31Å; N287-L319 HydrophobicContact CB-CD2 4.41Å; L291-L319 HydrophobicContact CD1-CD1 4.5Å; L313-L319 HydrophobicContact CD2-CD1 3.88Å; N316-L319 HydrophobicContact CB-CD1 3.74Å; N316-L319 HydrophobicContact CB-CG 3.85Å; N316-L319 VanDerWaalsContact O-CB 3.3Å; N316-L319 WeakPolarHBondContact O-CB 3.43Å; N316-L319 PolarHBondContact O-N 3.22Å; P317-L319 PolarHBondContact O-N 3.42Å; P317-L319 VanDerWaalsContact O-N 3.17Å; L319-A321 PolarHBondContact O-N 2.97Å; L319-A321 VanDerWaalsContact O-N 3.15Å
320L97.4Very high95.4Very high120 Ų12037.7 Ų37.763%0.62818%0.182SC*.  trans5432.6177.9-55175.4000113.5P317 Q318 I431P317-L320 PolarHBondContact O-N 2.86Å; Q318-L320 VanDerWaalsContact C-N 3.27Å; L320-I431 HydrophobicContact CD2-CD1 4.29Å; L320-I431 HydrophobicContact CD2-CG2 4.49Å
321A98.3Very high95Very high0 Ų040.6 Ų40.60%020%0.202CC..  trans-67132.717700000110.1F278 Y281 L319 G323 A324F278-A321 HydrophobicContact CD2-CB 3.94Å; F278-A321 HydrophobicContact CE2-CB 3.75Å; Y281-A321 HydrophobicContact CD1-CB 3.98Å; Y281-A321 HydrophobicContact CD2-CB 4.44Å; Y281-A321 HydrophobicContact CE1-CB 3.82Å; Y281-A321 HydrophobicContact CE2-CB 4.24Å; Y281-A321 HydrophobicContact CG-CB 4.31Å; L319-A321 PolarHBondContact O-N 2.97Å; L319-A321 VanDerWaalsContact O-N 3.15Å; A321-G323 PolarHBondContact O-N 3.15Å; A321-A324 HydrophobicContact CB-CB 4.11Å; A321-A324 WeakPolarHBondContact O-CB 3.19Å; A321-A324 PolarHBondContact O-N 3.39Å
322P98.5Very high94.7Very high33 Ų3344.9 Ų44.921%0.21422%0.224CC..THydrogen-bonded Turntrans-57.8126.4-174.8-28.635.6000113.4N240 E277 F278 A324N240-P322 PolarHBondContact ND2-O 3.18Å; E277-P322 HydrophobicContact CB-CB 3.85Å; E277-P322 HydrophobicContact CB-CG 4.07Å; F278-P322 WeakPolarHBondContact CB-O 3.46Å; F278-P322 WeakPolarHBondContact CD2-O 3.42Å; P322-A324 PolarHBondContact O-N 2.92Å
323G98.1Very high94.3Very high3 Ų351.8 Ų51.83%0.03126%0.257CS..THydrogen-bonded Turntrans70.315.3-17800000114.2G238 N240 A321 I431G238-G323 VanDerWaalsContact O-CA 3.23Å; G238-G323 WeakPolarHBondContact O-CA 3.37Å; N240-G323 PolarHBondContact N-O 3.24Å; N240-G323 VanDerWaalsContact ND2-C 3.26Å; N240-G323 PolarHBondContact ND2-O 3.27Å; A321-G323 PolarHBondContact O-N 3.15Å; G323-I431 PolarHBondContact N-O 3.49Å
324A97.2Very high93.9Very high0 Ų059 Ų590%030%0.296CS..  trans-67.6146.6169.200000110.5A314 A321 P322 H430 I431A314-A324 WeakPolarHBondContact O-CB 3.47Å; A321-A324 HydrophobicContact CB-CB 4.11Å; A321-A324 WeakPolarHBondContact O-CB 3.19Å; A321-A324 PolarHBondContact O-N 3.39Å; P322-A324 PolarHBondContact O-N 2.92Å; A324-H430 CarbonylContact O-C 3.53Å; A324-H430 WeakPolarHBondContact O-CA 3.19Å; A324-H430 WeakPolarHBondContact O-CB 3.39Å; A324-I431 HydrophobicContact CB-CD1 4.26Å; A324-I431 PolarHBondContact O-N 3.25Å
325C95.7Very high93.8Very high4 Ų460.3 Ų60.33%0.02730%0.302CS..BIsolated β-bridgetrans-76.3132.2-178.1-154.90000109.9A314 Y315 K327 C426A314-C325 PolarHBondContact O-N 3.1Å; Y315-C325 HydrophobicContact CD1-CB 3.89Å; Y315-C325 HydrophobicContact CE1-CB 3.58Å; C325-K327 PolarHBondContact O-N 3.5Å; C325-K327 PolarHBondContact SG-O 3.29Å; C325-C426 HydrophobicContact CB-CB 3.88Å; C325-C426 WeakPolarHBondContact CB-SG 3.36Å; C325-C426 VanDerWaalsContact SG-CA 3.53Å; C325-C426 WeakPolarHBondContact SG-CB 3.41Å; C325-C426 CovalentContact SG-SG 2.05Å; C325-C426 PolarHBondContact SG-SG 2.89Å
326K95.2Very high93.7Very high114 Ų11464.3 Ų64.350%0.49633%0.325SS..SBendtrans-64.9-26.8-178.8-78172.5168.5148.80112.6N429 H430 I431K326-N429 WeakPolarHBondContact CB-O 3.4Å; K326-N429 PolarHBondContact N-O 2.7Å; K326-H430 WeakPolarHBondContact CD-O 3.42Å; K326-H430 WeakPolarHBondContact CE-O 3.04Å; K326-H430 PolarHBondContact NZ-O 2.75Å; K326-I431 HydrophobicContact CG-CG1 4.14Å
327K91.3Very high93.7Very high148 Ų14867.8 Ų67.864%0.64334%0.341SS*.SBendtrans-133.5147.4178.3-67.8-174.3178.7-179.70110.1C325 Y329C325-K327 PolarHBondContact O-N 3.5Å; C325-K327 PolarHBondContact SG-O 3.29Å; K327-Y329 PolarHBondContact O-N 2.96Å
328F89.5Confident93.7Very high74 Ų7466 Ų6633%0.32533%0.329SS..  trans-64.6116.5169-174.5-96.3000109.7C244 I246 I266 Y315 P330C244-F328 HydrophobicContact CB-CE2 3.68Å; C244-F328 HydrophobicContact CB-CZ 4.14Å; I246-F328 HydrophobicContact CB-CE1 4.49Å; I246-F328 HydrophobicContact CG1-CE1 3.83Å; I266-F328 HydrophobicContact CD1-CD2 4.46Å; I266-F328 HydrophobicContact CD1-CE2 4.34Å; I266-F328 HydrophobicContact CG2-CD2 4.41Å; I266-F328 HydrophobicContact CG2-CE2 3.71Å; Y315-F328 HydrophobicContact CD1-CD2 4.03Å; Y315-F328 HydrophobicContact CG-CD2 4.04Å; F328-P330 HydrophobicContact CD1-CG 4.32Å; F328-P330 HydrophobicContact CE1-CB 3.9Å; F328-P330 HydrophobicContact CE1-CG 3.78Å; F328-P330 HydrophobicContact CZ-CB 4.18Å
329Y90.6Very high93.6Very high73 Ų7363 Ų6329%0.28632%0.318SS..  trans-136.987.7-175.2-155.6-99.3000110.7K327 D335 H425K327-Y329 PolarHBondContact O-N 2.96Å; Y329-D335 WeakPolarHBondContact CE1-OD2 3.39Å; Y329-D335 VanDerWaalsContact CZ-OD2 3.28Å; Y329-D335 PolarHBondContact OH-OD2 3.33Å; Y329-H425 WeakPolarHBondContact CB-CD2 3.44Å; Y329-H425 HydrophobicContact CD1-CB 3.3Å; Y329-H425 AromaticContact CD1-CD2 3.94Å; Y329-H425 AromaticContact CD1-CG 3.5Å; Y329-H425 VanDerWaalsContact CD1-CG 3.5Å; Y329-H425 HydrophobicContact CD2-CB 4.37Å; Y329-H425 AromaticContact CD2-CD2 3.77Å; Y329-H425 AromaticContact CD2-CE1 3.64Å; Y329-H425 AromaticContact CD2-CG 3.65Å; Y329-H425 AromaticContact CD2-ND1 3.57Å; Y329-H425 AromaticContact CD2-NE2 3.78Å; Y329-H425 HydrophobicContact CE1-CB 3.43Å; Y329-H425 VanDerWaalsContact CE1-CB 3.43Å; Y329-H425 AromaticContact CE1-CG 3.77Å; Y329-H425 AromaticContact CE2-CE1 3.91Å; Y329-H425 AromaticContact CE2-CG 3.96Å; Y329-H425 AromaticContact CE2-ND1 3.56Å; Y329-H425 HydrophobicContact CG-CB 3.77Å; Y329-H425 AromaticContact CG-CD2 3.43Å; Y329-H425 VanDerWaalsContact CG-CD2 3.43Å; Y329-H425 AromaticContact CG-CG 3.38Å; Y329-H425 AromaticContact CG-ND1 3.83Å; Y329-H425 AromaticContact CG-NE2 3.91Å; Y329-H425 AromaticContact CZ-CG 3.99Å; Y329-H425 AromaticContact CZ-ND1 3.78Å
330P90.7Very high93.5Very high27 Ų2764.5 Ų64.518%0.17532%0.324CS..  trans-78.4152.1-173.733.2-36.3000111.8I246 F328 N332 S338I246-P330 HydrophobicContact CD1-CB 4.36Å; I246-P330 HydrophobicContact CD1-CG 3.63Å; I246-P330 HydrophobicContact CG1-CB 3.88Å; I246-P330 HydrophobicContact CG1-CG 3.44Å; I246-P330 VanDerWaalsContact CG1-CG 3.44Å; F328-P330 HydrophobicContact CD1-CG 4.32Å; F328-P330 HydrophobicContact CE1-CB 3.9Å; F328-P330 HydrophobicContact CE1-CG 3.78Å; F328-P330 HydrophobicContact CZ-CB 4.18Å; P330-N332 PolarHBondContact O-N 2.9Å; P330-S338 WeakPolarHBondContact O-CB 3.46Å
331P89.4Confident93.5Very high66 Ų6658.8 Ų58.843%0.42929%0.294SS..  trans-58.6135.2175.7-24.534.9000113.4C244 S338 F340C244-P331 WeakPolarHBondContact O-CD 3.29Å; P331-S338 WeakPolarHBondContact CA-O 3.36Å; P331-S338 WeakPolarHBondContact CB-O 3.44Å; P331-F340 HydrophobicContact CG-CB 4.08Å
332N89.7Confident93.4Very high90 Ų9058.8 Ų58.848%0.48129%0.294SS..BIsolated β-bridgetrans-136.2129.6177.1177.5-5.3000108.7P330 N334 D335 S338P330-N332 PolarHBondContact O-N 2.9Å; N332-N334 PolarHBondContact O-N 3.37Å; N332-N334 PolarHBondContact OD1-N 3.01Å; N332-N334 VanDerWaalsContact OD1-N 3.12Å; N332-D335 HydrophobicContact CB-CB 4.18Å; N332-D335 PolarHBondContact O-N 3Å; N332-D335 VanDerWaalsContact O-N 3.08Å; N332-S338 PolarHBondContact N-OG 2.05Å; N332-S338 PolarHBondContact O-OG 2.92Å
333E85.6Confident93.4Very high145 Ų14557.5 Ų57.568%0.67829%0.285SS*.THydrogen-bonded Turntrans-65.8-22.6-174.3-58.5-170.316200113.7K350E333-K350 WeakPolarHBondContact OE1-CE 3.28Å; E333-K350 IonicContact OE1-NZ 2.78Å; E333-K350 PolarHBondContact OE1-NZ 3.45Å
334N90.5Very high93.3Very high153 Ų15359 Ų5982%0.81829%0.29SS*.THydrogen-bonded Turntrans-92.12.2178-63.3-25.6000112.9N332N332-N334 PolarHBondContact O-N 3.37Å; N332-N334 PolarHBondContact OD1-N 3.01Å; N332-N334 VanDerWaalsContact OD1-N 3.12Å
335D93.8Very high93.3Very high30 Ų3060.1 Ų60.116%0.1630%0.297CS..BIsolated β-bridgetrans-131.5102.2-176.7171.324.4000111.2Y329 N332 H337 S338Y329-D335 WeakPolarHBondContact CE1-OD2 3.39Å; Y329-D335 VanDerWaalsContact CZ-OD2 3.28Å; Y329-D335 PolarHBondContact OH-OD2 3.33Å; N332-D335 HydrophobicContact CB-CB 4.18Å; N332-D335 PolarHBondContact O-N 3Å; N332-D335 VanDerWaalsContact O-N 3.08Å; D335-H337 PolarHBondContact O-N 3.31Å; D335-H337 VanDerWaalsContact OD1-CB 3.3Å; D335-H337 WeakPolarHBondContact OD1-CB 3.45Å; D335-H337 IonicContact OD1-CD2 3.46Å; D335-H337 PolarHBondContact OD1-CD2 3.38Å; D335-H337 IonicContact OD1-CG 3.83Å; D335-H337 PolarHBondContact OD1-N 2.89Å; D335-S338 PolarHBondContact O-N 2.96Å; D335-S338 VanDerWaalsContact O-N 3.08Å; D335-S338 PolarHBondContact O-OG 3.45Å; D335-S338 WeakPolarHBondContact OD2-CB 3.45Å
336N93.7Very high93.4Very high110 Ų11060.4 Ų60.459%0.58830%0.298SS*.G310 helixtrans-59.6-29.4178.9-73.5-12.5000112.8S338 T339 F420N336-S338 PolarHBondContact O-N 2.94Å; N336-T339 WeakPolarHBondContact O-CB 3.32Å; N336-T339 PolarHBondContact O-N 3.02Å; N336-T339 VanDerWaalsContact O-N 3.16Å; N336-T339 PolarHBondContact O-OG1 3.38Å; N336-F420 HydrophobicContact CB-CE2 4.3Å
337H95.5Very high93.3Very high78 Ų7860.5 Ų60.536%0.36130%0.295SS..G310 helixtrans-69.6-17.8-179.8-56.7-67.7000112.8D335 E423 L424 H425D335-H337 PolarHBondContact O-N 3.31Å; D335-H337 VanDerWaalsContact OD1-CB 3.3Å; D335-H337 WeakPolarHBondContact OD1-CB 3.45Å; D335-H337 IonicContact OD1-CD2 3.46Å; D335-H337 PolarHBondContact OD1-CD2 3.38Å; D335-H337 IonicContact OD1-CG 3.83Å; D335-H337 PolarHBondContact OD1-N 2.89Å; H337-E423 PolarHBondContact ND1-O 3.41Å; H337-L424 CarbonylContact O-C 3.48Å; H337-L424 WeakPolarHBondContact O-CA 3.16Å; H337-H425 PolarHBondContact O-N 3.35Å
338S93.7Very high93.4Very high9 Ų959.6 Ų59.66%0.06329%0.291CS..G310 helixtrans-94.81.8176.675.30000113.8P330 P331 N332 D335 N336 F340P330-S338 WeakPolarHBondContact O-CB 3.46Å; P331-S338 WeakPolarHBondContact CA-O 3.36Å; P331-S338 WeakPolarHBondContact CB-O 3.44Å; N332-S338 PolarHBondContact N-OG 2.05Å; N332-S338 PolarHBondContact O-OG 2.92Å; D335-S338 PolarHBondContact O-N 2.96Å; D335-S338 VanDerWaalsContact O-N 3.08Å; D335-S338 PolarHBondContact O-OG 3.45Å; D335-S338 WeakPolarHBondContact OD2-CB 3.45Å; N336-S338 PolarHBondContact O-N 2.94Å; S338-F340 PolarHBondContact O-N 3.29Å
339T94.4Very high93.6Very high35 Ų3562.4 Ų62.422%0.21532%0.317CS..  trans-59126.6-173.7-58.10000111.7N336 V341 F420N336-T339 WeakPolarHBondContact O-CB 3.32Å; N336-T339 PolarHBondContact O-N 3.02Å; N336-T339 VanDerWaalsContact O-N 3.16Å; N336-T339 PolarHBondContact O-OG1 3.38Å; T339-V341 HydrophobicContact CG2-CG1 3.98Å; T339-V341 PolarHBondContact O-N 2.93Å; T339-F420 HydrophobicContact CG2-CZ 4.04Å
340F94.7Very high93.8Very high43 Ų4363.9 Ų63.919%0.18933%0.325CS..  trans-80.588.9171.4-178.9-119.4000110.7I241 G243 S269 L271 P331 S338 S342I241-F340 HydrophobicContact CG2-CD2 4.07Å; I241-F340 HydrophobicContact CG2-CE2 3.85Å; G243-F340 VanDerWaalsContact CA-CD2 3.48Å; G243-F340 VanDerWaalsContact CA-CE2 3.49Å; S269-F340 VanDerWaalsContact CB-CZ 3.46Å; S269-F340 WeakPolarHBondContact OG-CE1 3.47Å; S269-F340 WeakPolarHBondContact OG-CZ 3.08Å; L271-F340 HydrophobicContact CB-CZ 4.41Å; L271-F340 WeakPolarHBondContact O-CZ 3.39Å; P331-F340 HydrophobicContact CG-CB 4.08Å; S338-F340 PolarHBondContact O-N 3.29Å; F340-S342 VanDerWaalsContact CZ-CB 3.41Å; F340-S342 PolarHBondContact O-N 3.19Å
341V97Very high94.1Very high0 Ų072.3 Ų72.30%035%0.353CS..  trans-74.4-3.7-172.1-58.50000115I241 T339 E377 F378 F420 Y421 L424I241-V341 HydrophobicContact CD1-CG2 3.73Å; I241-V341 HydrophobicContact CG1-CG2 3.96Å; I241-V341 HydrophobicContact CG2-CG2 3.95Å; T339-V341 HydrophobicContact CG2-CG1 3.98Å; T339-V341 PolarHBondContact O-N 2.93Å; V341-E377 CarbonylContact O-C 3.6Å; V341-E377 WeakPolarHBondContact O-CA 2.8Å; V341-E377 WeakPolarHBondContact O-CB 3.3Å; V341-F378 HydrophobicContact CG2-CE1 4.32Å; V341-F378 HydrophobicContact CG2-CE2 4.26Å; V341-F378 HydrophobicContact CG2-CZ 3.93Å; V341-F378 PolarHBondContact O-N 3.25Å; V341-F420 HydrophobicContact CG1-CE1 3.54Å; V341-F420 HydrophobicContact CG1-CZ 4.13Å; V341-Y421 HydrophobicContact CB-CD1 4.36Å; V341-Y421 HydrophobicContact CB-CE1 4.09Å; V341-Y421 HydrophobicContact CG1-CD1 4.25Å; V341-Y421 HydrophobicContact CG1-CE1 4.18Å; V341-Y421 HydrophobicContact CG2-CD1 4.23Å; V341-Y421 HydrophobicContact CG2-CE1 4.34Å; V341-L424 HydrophobicContact CG1-CD1 3.83Å; V341-L424 HydrophobicContact CG1-CD2 4.12Å; V341-L424 HydrophobicContact CG2-CD1 3.95Å
342S97.5Very high94.5Very high0 Ų069.6 Ų69.60%034%0.335CS..SBendtrans-66.8-63.8-174.2-130.40000110.4L271 F340 F378 F379L271-S342 WeakPolarHBondContact O-CB 3.46Å; L271-S342 PolarHBondContact O-OG 2.83Å; F340-S342 VanDerWaalsContact CZ-CB 3.41Å; F340-S342 PolarHBondContact O-N 3.19Å; S342-F378 WeakPolarHBondContact O-CB 3.49Å; S342-F378 PolarHBondContact O-N 3.03Å; S342-F379 PolarHBondContact O-N 3.19Å
343R97.4Very high94.8Very high6 Ų666.2 Ų66.22%0.02332%0.32CS..EExtended strand (participates in β ladder)trans-130.7129-174.8-83.752.3162-161.314.4110N215 E220 L271 V272 V345 F379N215-R343 PolarHBondContact O-NH2 2.83Å; E220-R343 WeakPolarHBondContact OE1-CG 3.42Å; E220-R343 IonicContact OE1-NE 2.67Å; E220-R343 PolarHBondContact OE1-NE 2.96Å; L271-R343 HydrophobicContact CB-CB 4.13Å; L271-R343 HydrophobicContact CB-CG 3.82Å; L271-R343 HydrophobicContact CD1-CB 3.7Å; L271-R343 HydrophobicContact CD1-CG 3.81Å; L271-R343 HydrophobicContact CD2-CG 4.27Å; L271-R343 HydrophobicContact CG-CB 4.45Å; L271-R343 HydrophobicContact CG-CG 4.15Å; L271-R343 PolarHBondContact O-NH1 3.02Å; V272-R343 PolarHBondContact O-NH1 2.8Å; R343-V345 HydrophobicContact CB-CG2 3.94Å; R343-V345 PolarHBondContact O-N 2.85Å; R343-F379 CarbonylContact C-O 3.54Å; R343-F379 WeakPolarHBondContact CA-O 3.49Å; R343-F379 HydrophobicContact CG-CB 4.03Å
344Y97.2Very high95.4Very high35 Ų3560 Ų6014%0.13729%0.292CS..EExtended strand (participates in β ladder)trans-73.3116.5164.7178.8-102.8000109.1I346 L364 L372 R375 E377 F379 N381Y344-I346 HydrophobicContact CE1-CD1 3.84Å; Y344-I346 HydrophobicContact CE1-CG1 3.66Å; Y344-I346 HydrophobicContact CE2-CG1 4.48Å; Y344-I346 VanDerWaalsContact OH-CD1 3.32Å; Y344-I346 WeakPolarHBondContact OH-CD1 3.42Å; Y344-I346 WeakPolarHBondContact OH-CG1 3.35Å; Y344-L364 HydrophobicContact CE1-CD2 4.29Å; Y344-L372 HydrophobicContact CD1-CD2 3.4Å; Y344-L372 HydrophobicContact CE1-CD2 3.64Å; Y344-L372 HydrophobicContact CG-CD2 4.13Å; Y344-R375 HydrophobicContact CD2-CG 3.86Å; Y344-R375 VanDerWaalsContact CD2-NE 3.27Å; Y344-R375 HydrophobicContact CE2-CG 4.05Å; Y344-R375 HydrophobicContact CG-CG 4.2Å; Y344-E377 WeakPolarHBondContact CD2-OE1 3.42Å; Y344-F379 PolarHBondContact N-O 2.6Å; Y344-N381 PolarHBondContact O-N 3.09Å
345V96.4Very high95.7Very high22 Ų2255.3 Ų55.313%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-138.7129.9179.2-167.70000109.9L271 R343 W347 I361 N381L271-V345 HydrophobicContact CD1-CG2 4.08Å; R343-V345 HydrophobicContact CB-CG2 3.94Å; R343-V345 PolarHBondContact O-N 2.85Å; V345-W347 HydrophobicContact CG1-CD2 4.21Å; V345-W347 HydrophobicContact CG1-CG 4.26Å; V345-W347 HydrophobicContact CG1-CZ2 4.14Å; V345-W347 VanDerWaalsContact CG1-NE1 3.26Å; V345-I361 HydrophobicContact CG1-CD1 4.45Å; V345-I361 HydrophobicContact CG1-CG1 4.29Å; V345-I361 HydrophobicContact CG1-CG2 3.58Å; V345-N381 WeakPolarHBondContact CG1-ND2 3.24Å; V345-N381 HydrophobicContact CG2-CB 4.02Å; V345-N381 VanDerWaalsContact CG2-ND2 3.31Å; V345-N381 WeakPolarHBondContact CG2-ND2 3.39Å
346I96.7Very high95.8Very high10 Ų1059 Ų595%0.05129%0.294CS..  trans-9899.8175.5-50.3171.9000108.9Y344 K350 R351 C362 L364Y344-I346 HydrophobicContact CE1-CD1 3.84Å; Y344-I346 HydrophobicContact CE1-CG1 3.66Å; Y344-I346 HydrophobicContact CE2-CG1 4.48Å; Y344-I346 VanDerWaalsContact OH-CD1 3.32Å; Y344-I346 WeakPolarHBondContact OH-CD1 3.42Å; Y344-I346 WeakPolarHBondContact OH-CG1 3.35Å; I346-K350 HydrophobicContact CG2-CB 3.8Å; I346-R351 WeakPolarHBondContact CG2-O 3.43Å; I346-C362 HydrophobicContact CB-CB 3.65Å; I346-C362 HydrophobicContact CD1-CB 4.38Å; I346-C362 HydrophobicContact CG2-CB 4.03Å; I346-C362 WeakPolarHBondContact O-CB 3.49Å; I346-C362 PolarHBondContact O-N 2.92Å; I346-L364 HydrophobicContact CD1-CD2 4.07Å
347W94.3Very high96Very high116 Ų11657.5 Ų57.544%0.43928%0.281SS..BIsolated β-bridgetrans-89.2153.6176.6-64.892000112.1V345 K350 I361V345-W347 HydrophobicContact CG1-CD2 4.21Å; V345-W347 HydrophobicContact CG1-CG 4.26Å; V345-W347 HydrophobicContact CG1-CZ2 4.14Å; V345-W347 VanDerWaalsContact CG1-NE1 3.26Å; W347-K350 VanDerWaalsContact O-CB 3.26Å; W347-K350 WeakPolarHBondContact O-CB 3.31Å; W347-K350 PolarHBondContact O-N 3.33Å; W347-I361 HydrophobicContact CD2-CG1 3.99Å; W347-I361 HydrophobicContact CE3-CD1 4.3Å; W347-I361 HydrophobicContact CE3-CG1 3.53Å; W347-I361 HydrophobicContact CH2-CD1 3.41Å; W347-I361 VanDerWaalsContact CH2-CD1 3.41Å; W347-I361 HydrophobicContact CH2-CG1 3.62Å; W347-I361 HydrophobicContact CZ2-CD1 3.83Å; W347-I361 HydrophobicContact CZ2-CG1 4.03Å; W347-I361 HydrophobicContact CZ3-CD1 3.67Å; W347-I361 HydrophobicContact CZ3-CG1 3.33Å
348K93.7Very high95.9Very high130 Ų13059.2 Ų59.257%0.56529%0.285SS*.THydrogen-bonded Turntrans-55.3141.8161.2-77.3-168.8176.6-175.70110T360K348-T360 HydrophobicContact CD-CG2 4.25Å; K348-T360 PolarHBondContact N-O 3.12Å; K348-T360 VanDerWaalsContact N-O 3.15Å
349P93.7Very high95.7Very high132 Ų13264.6 Ų64.686%0.85731%0.308SS*.THydrogen-bonded Turncis-89.14.17.836-36.2000115
350K94.8Very high95.7Very high105 Ų10565.9 Ų65.946%0.45732%0.316SS..SBendtrans-55.8142.1-178.6-62-171.4176.3-168.90111.4E333 I346 W347 C352 R357E333-K350 WeakPolarHBondContact OE1-CE 3.28Å; E333-K350 IonicContact OE1-NZ 2.78Å; E333-K350 PolarHBondContact OE1-NZ 3.45Å; I346-K350 HydrophobicContact CG2-CB 3.8Å; W347-K350 VanDerWaalsContact O-CB 3.26Å; W347-K350 WeakPolarHBondContact O-CB 3.31Å; W347-K350 PolarHBondContact O-N 3.33Å; K350-C352 PolarHBondContact O-N 3.21Å; K350-R357 PolarHBondContact O-NH2 2.81Å
351R96.1Very high95.8Very high203 Ų20364.3 Ų64.377%0.76631%0.31SS*.  trans-57.5135.8176.4-179.7177.9171.2145-1.9109.8I346I346-R351 WeakPolarHBondContact CG2-O 3.43Å
352C97.5Very high95.8Very high9 Ų964.3 Ų64.36%0.06131%0.31CS..  trans-112.5113.7174.4175.90000107.1K350 T354 G355 K356 R357 C362K350-C352 PolarHBondContact O-N 3.21Å; C352-T354 PolarHBondContact O-N 3.48Å; C352-T354 PolarHBondContact SG-OG1 2.88Å; C352-G355 PolarHBondContact O-N 3.09Å; C352-K356 PolarHBondContact SG-O 2.89Å; C352-R357 HydrophobicContact CB-CG 4.43Å; C352-R357 VanDerWaalsContact CB-NH2 3.33Å; C352-C362 WeakPolarHBondContact CA-SG 2.91Å; C352-C362 HydrophobicContact CB-CB 3.68Å; C352-C362 WeakPolarHBondContact CB-SG 3.34Å; C352-C362 WeakPolarHBondContact SG-CA 3.39Å; C352-C362 WeakPolarHBondContact SG-CB 3.38Å; C352-C362 CovalentContact SG-SG 2.03Å; C352-C362 PolarHBondContact SG-SG 3.04Å
353A97.4Very high95.9Very high20 Ų2065.5 Ų65.517%0.16532%0.316CS..THydrogen-bonded Turntrans-65.3-27.4-169.700000112.9Q72 G355 Q367Q72-A353 PolarHBondContact NE2-O 3.23Å; Q72-A353 PolarHBondContact OE1-O 3.44Å; A353-G355 VanDerWaalsContact C-N 3.32Å; A353-Q367 HydrophobicContact CB-CB 3.62Å; A353-Q367 HydrophobicContact CB-CG 4.13Å
354T97.4Very high95.9Very high14 Ų1465.2 Ų65.29%0.08632%0.315CS..THydrogen-bonded Turntrans-79.7-12.7174.956.30000113.3C352 K356 M363 Q367 F387 Y388C352-T354 PolarHBondContact O-N 3.48Å; C352-T354 PolarHBondContact SG-OG1 2.88Å; T354-K356 PolarHBondContact O-N 3.21Å; T354-K356 VanDerWaalsContact O-N 3.07Å; T354-M363 WeakPolarHBondContact CG2-O 3.41Å; T354-M363 PolarHBondContact OG1-O 3.05Å; T354-Q367 VanDerWaalsContact CG2-OE1 3.26Å; T354-F387 HydrophobicContact CG2-CE1 4.22Å; T354-F387 HydrophobicContact CG2-CZ 4.39Å; T354-Y388 HydrophobicContact CG2-CD2 4.06Å; T354-Y388 HydrophobicContact CG2-CE2 3.8Å
355G96.1Very high95.9Very high54 Ų5463.7 Ų63.756%0.55731%0.309SS*.  trans70.2-7-175.200000115.3C352 A353C352-G355 PolarHBondContact O-N 3.09Å; A353-G355 VanDerWaalsContact C-N 3.32Å
356K97.2Very high96Very high107 Ų10762.6 Ų62.647%0.46530%0.303SS..  trans-106.1138.4-176.5-63.7-66.1-173.4174.80111.8C352 T354 M363 F387C352-K356 PolarHBondContact SG-O 2.89Å; T354-K356 PolarHBondContact O-N 3.21Å; T354-K356 VanDerWaalsContact O-N 3.07Å; K356-M363 HydrophobicContact CB-CB 4.5Å; K356-M363 HydrophobicContact CB-SD 3.73Å; K356-M363 PolarHBondContact O-N 2.76Å; K356-F387 HydrophobicContact CB-CE1 4.16Å; K356-F387 HydrophobicContact CB-CE2 4.18Å; K356-F387 HydrophobicContact CB-CZ 3.59Å; K356-F387 HydrophobicContact CG-CE2 3.78Å; K356-F387 HydrophobicContact CG-CZ 3.6Å
357R97.2Very high96.1Very high80 Ų8062.2 Ų62.230%0.30230%0.301SS..EExtended strand (participates in β ladder)trans-138.1151.3-178.1-68-174.9176.280.5-8.8111.1K350 C352 I361K350-R357 PolarHBondContact O-NH2 2.81Å; C352-R357 HydrophobicContact CB-CG 4.43Å; C352-R357 VanDerWaalsContact CB-NH2 3.33Å; R357-I361 CarbonylContact C-O 3.57Å; R357-I361 WeakPolarHBondContact CA-O 3.38Å; R357-I361 VanDerWaalsContact CB-O 3.3Å; R357-I361 WeakPolarHBondContact CB-O 3.35Å
358Y94.6Very high96.3Very high114 Ų11457.2 Ų57.245%0.44728%0.282SS..EExtended strand (participates in β ladder)trans-118.5125.2167.1-174.3-98.1000110T360 I361 Y384Y358-T360 PolarHBondContact O-N 3.14Å; Y358-I361 PolarHBondContact N-O 2.8Å; Y358-I361 PolarHBondContact O-N 2.74Å; Y358-Y384 WeakPolarHBondContact CB-OH 3.36Å; Y358-Y384 WeakPolarHBondContact CD1-OH 3.47Å; Y358-Y384 HydrophobicContact CD2-CE1 4.34Å; Y358-Y384 HydrophobicContact CG-CE1 4.22Å; Y358-Y384 AromaticContact CG-CZ 3.78Å
359H89.4Confident96.5Very high121 Ų12151 Ų5156%0.5626%0.255SS*.THydrogen-bonded Turntrans41.434.5-175.4-62.3-48.5000115.2
360T93.1Very high96.7Very high62 Ų6248 Ų4838%0.3823%0.227SC..THydrogen-bonded Turntrans93.1-8.1-178780000118.2K348 Y358K348-T360 HydrophobicContact CD-CG2 4.25Å; K348-T360 PolarHBondContact N-O 3.12Å; K348-T360 VanDerWaalsContact N-O 3.15Å; Y358-T360 PolarHBondContact O-N 3.14Å
361I96.3Very high96.8Very high10 Ų1045.9 Ų45.95%0.05122%0.221CC..EExtended strand (participates in β ladder)trans-91.2134.2177.9-59.6171.9000109.8V345 W347 R357 Y358 M363 K382V345-I361 HydrophobicContact CG1-CD1 4.45Å; V345-I361 HydrophobicContact CG1-CG1 4.29Å; V345-I361 HydrophobicContact CG1-CG2 3.58Å; W347-I361 HydrophobicContact CD2-CG1 3.99Å; W347-I361 HydrophobicContact CE3-CD1 4.3Å; W347-I361 HydrophobicContact CE3-CG1 3.53Å; W347-I361 HydrophobicContact CH2-CD1 3.41Å; W347-I361 VanDerWaalsContact CH2-CD1 3.41Å; W347-I361 HydrophobicContact CH2-CG1 3.62Å; W347-I361 HydrophobicContact CZ2-CD1 3.83Å; W347-I361 HydrophobicContact CZ2-CG1 4.03Å; W347-I361 HydrophobicContact CZ3-CD1 3.67Å; W347-I361 HydrophobicContact CZ3-CG1 3.33Å; R357-I361 CarbonylContact C-O 3.57Å; R357-I361 WeakPolarHBondContact CA-O 3.38Å; R357-I361 VanDerWaalsContact CB-O 3.3Å; R357-I361 WeakPolarHBondContact CB-O 3.35Å; Y358-I361 PolarHBondContact N-O 2.8Å; Y358-I361 PolarHBondContact O-N 2.74Å; I361-M363 PolarHBondContact O-N 2.8Å; I361-K382 HydrophobicContact CD1-CD 4.15Å; I361-K382 VanDerWaalsContact CD1-CE 3.47Å; I361-K382 HydrophobicContact CG2-CD 4.31Å; I361-K382 HydrophobicContact CG2-CG 4.19Å
362C98.4Very high96.9Very high0 Ų036.2 Ų36.20%019%0.185CC..EExtended strand (participates in β ladder)trans-61.9132.2173.4-169.90000111.6I346 C352I346-C362 HydrophobicContact CB-CB 3.65Å; I346-C362 HydrophobicContact CD1-CB 4.38Å; I346-C362 HydrophobicContact CG2-CB 4.03Å; I346-C362 WeakPolarHBondContact O-CB 3.49Å; I346-C362 PolarHBondContact O-N 2.92Å; C352-C362 WeakPolarHBondContact CA-SG 2.91Å; C352-C362 HydrophobicContact CB-CB 3.68Å; C352-C362 WeakPolarHBondContact CB-SG 3.34Å; C352-C362 WeakPolarHBondContact SG-CA 3.39Å; C352-C362 WeakPolarHBondContact SG-CB 3.38Å; C352-C362 CovalentContact SG-SG 2.03Å; C352-C362 PolarHBondContact SG-SG 3.04Å
363M98.1Very high96.9Very high26 Ų2637 Ų3713%0.12819%0.189CC..PPolyproline II helixtrans-79.9117.5167.7-60.8167.969.500107.5T354 K356 I361 Y384 F387T354-M363 WeakPolarHBondContact CG2-O 3.41Å; T354-M363 PolarHBondContact OG1-O 3.05Å; K356-M363 HydrophobicContact CB-CB 4.5Å; K356-M363 HydrophobicContact CB-SD 3.73Å; K356-M363 PolarHBondContact O-N 2.76Å; I361-M363 PolarHBondContact O-N 2.8Å; M363-Y384 HydrophobicContact CB-CD2 4.16Å; M363-Y384 HydrophobicContact CE-CD1 4.06Å; M363-Y384 HydrophobicContact CE-CD2 3.79Å; M363-Y384 HydrophobicContact CE-CG 3.51Å; M363-Y384 HydrophobicContact CG-CD2 3.63Å; M363-Y384 HydrophobicContact CG-CE2 3.82Å; M363-Y384 HydrophobicContact CG-CG 4.35Å; M363-Y384 HydrophobicContact SD-CD2 4.39Å; M363-F387 HydrophobicContact CB-CD1 3.78Å; M363-F387 HydrophobicContact CB-CE1 3.51Å; M363-F387 HydrophobicContact CE-CB 3.96Å; M363-F387 HydrophobicContact CE-CD1 3.52Å; M363-F387 HydrophobicContact CE-CD2 4.35Å; M363-F387 HydrophobicContact CE-CE1 4.06Å; M363-F387 HydrophobicContact CE-CG 3.67Å; M363-F387 HydrophobicContact SD-CD1 4.45Å; M363-F387 HydrophobicContact SD-CE1 4.43Å
364L98.3Very high96.8Very high0 Ų041.4 Ų41.40%020%0.204CC..PPolyproline II helixtrans-69.2152.2-178.4-61.1178000110.5Y344 I346 H368 A380 K382 F383Y344-L364 HydrophobicContact CE1-CD2 4.29Å; I346-L364 HydrophobicContact CD1-CD2 4.07Å; L364-H368 HydrophobicContact CD2-CB 4.27Å; L364-A380 HydrophobicContact CD1-CB 3.87Å; L364-K382 PolarHBondContact N-O 3.08Å; L364-F383 HydrophobicContact CB-CD1 3.98Å; L364-F383 HydrophobicContact CB-CE1 3.74Å; L364-F383 HydrophobicContact CB-CZ 4.11Å; L364-F383 HydrophobicContact CD1-CD2 4.42Å; L364-F383 HydrophobicContact CD1-CE1 4.22Å; L364-F383 HydrophobicContact CD1-CE2 3.83Å; L364-F383 HydrophobicContact CD1-CZ 3.7Å
365G97.9Very high96.7Very high2 Ų245 Ų452%0.02122%0.216CC..  trans-162177-172.200000110Q367 H368 A391G365-Q367 PolarHBondContact O-N 2.98Å; G365-H368 PolarHBondContact N-ND1 3.49Å; G365-H368 VanDerWaalsContact N-ND1 3.15Å; G365-H368 WeakPolarHBondContact O-CB 3.4Å; G365-H368 PolarHBondContact O-N 3.27Å; G365-H368 PolarHBondContact O-ND1 3.18Å; G365-A391 VanDerWaalsContact CA-CB 3.44Å
366V97.9Very high96.7Very high0 Ų044.7 Ų44.70%020%0.2CC..G310 helixtrans-59.1-26.2-170.1-62.60000113.4F65 P70 A75 H368 L369 Y388 S390 A391F65-V366 HydrophobicContact CD1-CB 4.36Å; F65-V366 HydrophobicContact CD2-CB 3.78Å; F65-V366 HydrophobicContact CD2-CG1 3.8Å; F65-V366 HydrophobicContact CD2-CG2 4.46Å; F65-V366 HydrophobicContact CE1-CG2 4.34Å; F65-V366 HydrophobicContact CE2-CB 3.96Å; F65-V366 HydrophobicContact CE2-CG1 3.86Å; F65-V366 HydrophobicContact CE2-CG2 4.19Å; F65-V366 HydrophobicContact CG-CB 3.99Å; F65-V366 HydrophobicContact CG-CG1 4.48Å; F65-V366 HydrophobicContact CZ-CB 4.35Å; F65-V366 HydrophobicContact CZ-CG2 4.14Å; P70-V366 HydrophobicContact CG-CG2 4.45Å; A75-V366 HydrophobicContact CB-CG2 3.84Å; V366-H368 PolarHBondContact O-N 2.65Å; V366-H368 VanDerWaalsContact O-N 3.07Å; V366-L369 HydrophobicContact CB-CD1 4.13Å; V366-L369 HydrophobicContact CG1-CD1 4.16Å; V366-L369 PolarHBondContact O-N 2.96Å; V366-Y388 HydrophobicContact CB-CD1 4.43Å; V366-Y388 HydrophobicContact CG1-CD1 4.16Å; V366-Y388 HydrophobicContact CG2-CD1 3.9Å; V366-Y388 HydrophobicContact CG2-CE1 3.81Å; V366-S390 VanDerWaalsContact CG1-OG 3.26Å; V366-S390 WeakPolarHBondContact CG1-OG 3.27Å; V366-A391 HydrophobicContact CG1-CB 4.15Å
367Q97.9Very high96.7Very high2 Ų240 Ų401%0.00918%0.18CC..G310 helixtrans-56.5-23173.3-59.190-24.300113.7A75 A353 T354 G365 Y388A75-Q367 HydrophobicContact CB-CG 3.58Å; A353-Q367 HydrophobicContact CB-CB 3.62Å; A353-Q367 HydrophobicContact CB-CG 4.13Å; T354-Q367 VanDerWaalsContact CG2-OE1 3.26Å; G365-Q367 PolarHBondContact O-N 2.98Å; Q367-Y388 PolarHBondContact NE2-OH 3.16Å
368H98.4Very high96.8Very high10 Ų1036.2 Ų36.25%0.04617%0.166CC..G310 helixtrans-96.4-17.3-174.9-5597.8000112.8L364 G365 V366 Y370 N371 L372L364-H368 HydrophobicContact CD2-CB 4.27Å; G365-H368 PolarHBondContact N-ND1 3.49Å; G365-H368 VanDerWaalsContact N-ND1 3.15Å; G365-H368 WeakPolarHBondContact O-CB 3.4Å; G365-H368 PolarHBondContact O-N 3.27Å; G365-H368 PolarHBondContact O-ND1 3.18Å; V366-H368 PolarHBondContact O-N 2.65Å; V366-H368 VanDerWaalsContact O-N 3.07Å; H368-Y370 PolarHBondContact O-N 3.32Å; H368-N371 PolarHBondContact O-N 3.32Å; H368-N371 VanDerWaalsContact O-N 3.13Å; H368-L372 HydrophobicContact CB-CD1 4.22Å; H368-L372 HydrophobicContact CB-CG 4.36Å; H368-L372 VanDerWaalsContact O-CG 3.3Å; H368-L372 WeakPolarHBondContact O-CG 3.23Å; H368-L372 PolarHBondContact O-N 2.76Å
369L98.4Very high97Very high0 Ų030.8 Ų30.80%015%0.145CC..Hα-helixtrans-55-53.1-170.1-77171.8000112.8F65 L66 V366 N371 L372 T373 A391 C394 L395F65-L369 HydrophobicContact CB-CB 4.21Å; F65-L369 HydrophobicContact CB-CD1 3.51Å; F65-L369 HydrophobicContact CD2-CD1 4.37Å; F65-L369 HydrophobicContact CG-CD1 4.32Å; F65-L369 WeakPolarHBondContact O-CB 3.5Å; L66-L369 HydrophobicContact CD2-CB 4.27Å; L66-L369 HydrophobicContact CD2-CD2 4.18Å; V366-L369 HydrophobicContact CB-CD1 4.13Å; V366-L369 HydrophobicContact CG1-CD1 4.16Å; V366-L369 PolarHBondContact O-N 2.96Å; L369-N371 VanDerWaalsContact C-N 3.29Å; L369-N371 PolarHBondContact O-N 2.9Å; L369-L372 WeakPolarHBondContact O-CB 3.38Å; L369-L372 PolarHBondContact O-N 3.27Å; L369-T373 WeakPolarHBondContact O-CG2 3.3Å; L369-T373 PolarHBondContact O-N 3.47Å; L369-T373 VanDerWaalsContact O-N 3.15Å; L369-A391 WeakPolarHBondContact CD2-O 3.35Å; L369-C394 HydrophobicContact CD1-CB 3.64Å; L369-C394 HydrophobicContact CD2-CB 4.12Å; L369-L395 HydrophobicContact CD2-CB 4.03Å
370Y98.1Very high97.4Very high69 Ų6925 Ų2527%0.27112%0.118SC..Hα-helixtrans-51.1-47.5177.1177.9-113.6000112.8F65 L66 N67 E69 H368 T373 K374F65-Y370 PolarHBondContact O-N 3.13Å; F65-Y370 VanDerWaalsContact O-N 3.12Å; L66-Y370 WeakPolarHBondContact O-CD2 3.11Å; N67-Y370 VanDerWaalsContact C-CD2 3.41Å; N67-Y370 WeakPolarHBondContact O-CD2 3.11Å; N67-Y370 WeakPolarHBondContact O-CE2 3.3Å; E69-Y370 HydrophobicContact CB-CD1 4.08Å; E69-Y370 HydrophobicContact CB-CG 4.46Å; H368-Y370 PolarHBondContact O-N 3.32Å; Y370-T373 PolarHBondContact O-N 3.25Å; Y370-T373 PolarHBondContact O-OG1 3.11Å; Y370-K374 WeakPolarHBondContact OH-CE 3.06Å; Y370-K374 PolarHBondContact OH-NZ 3.38Å
371N97.4Very high97.6Very high60 Ų6022.1 Ų22.132%0.32110%0.1SC..Hα-helixtrans-72.5-32.3-179.8-72.3-38000112.4H368 L369 T373 K374 R375H368-N371 PolarHBondContact O-N 3.32Å; H368-N371 VanDerWaalsContact O-N 3.13Å; L369-N371 VanDerWaalsContact C-N 3.29Å; L369-N371 PolarHBondContact O-N 2.9Å; N371-T373 VanDerWaalsContact C-N 3.26Å; N371-T373 PolarHBondContact O-N 3.45Å; N371-K374 PolarHBondContact O-N 3.01Å; N371-K374 VanDerWaalsContact O-N 3.13Å; N371-R375 WeakPolarHBondContact O-CG 2.99Å; N371-R375 PolarHBondContact O-N 2.95Å
372L98.1Very high97.6Very high1 Ų124 Ų241%0.00511%0.108CC..Hα-helixtrans-60.4-34.2174.4-71.4174.8000112.3L223 Y344 H368 L369 K374 R375 A380 F383 L395L223-L372 HydrophobicContact CD1-CD2 4.29Å; L223-L372 HydrophobicContact CD2-CB 4.05Å; L223-L372 HydrophobicContact CD2-CD2 4.2Å; Y344-L372 HydrophobicContact CD1-CD2 3.4Å; Y344-L372 HydrophobicContact CE1-CD2 3.64Å; Y344-L372 HydrophobicContact CG-CD2 4.13Å; H368-L372 HydrophobicContact CB-CD1 4.22Å; H368-L372 HydrophobicContact CB-CG 4.36Å; H368-L372 VanDerWaalsContact O-CG 3.3Å; H368-L372 WeakPolarHBondContact O-CG 3.23Å; H368-L372 PolarHBondContact O-N 2.76Å; L369-L372 WeakPolarHBondContact O-CB 3.38Å; L369-L372 PolarHBondContact O-N 3.27Å; L372-K374 PolarHBondContact O-N 2.91Å; L372-R375 HydrophobicContact CD2-CG 4.32Å; L372-R375 WeakPolarHBondContact O-CB 3.22Å; L372-R375 PolarHBondContact O-N 2.91Å; L372-A380 HydrophobicContact CD1-CB 4.46Å; L372-A380 HydrophobicContact CD2-CB 3.84Å; L372-F383 HydrophobicContact CD1-CZ 4.31Å; L372-L395 HydrophobicContact CB-CD1 4.36Å; L372-L395 HydrophobicContact CD1-CD2 4.18Å
373T96.6Very high97.6Very high24 Ų2424.2 Ų24.215%0.14711%0.109CC..THydrogen-bonded Turntrans-64.2-19.4176.770.70000113.9L66 L369 Y370 N371 W398L66-T373 HydrophobicContact CB-CG2 4.38Å; L66-T373 HydrophobicContact CD2-CG2 3.68Å; L369-T373 WeakPolarHBondContact O-CG2 3.3Å; L369-T373 PolarHBondContact O-N 3.47Å; L369-T373 VanDerWaalsContact O-N 3.15Å; Y370-T373 PolarHBondContact O-N 3.25Å; Y370-T373 PolarHBondContact O-OG1 3.11Å; N371-T373 VanDerWaalsContact C-N 3.26Å; N371-T373 PolarHBondContact O-N 3.45Å; T373-W398 HydrophobicContact CG2-CD2 4.29Å; T373-W398 HydrophobicContact CG2-CZ2 4.19Å
374K95.7Very high97.4Very high114 Ų11424.8 Ų24.850%0.49611%0.11SC..THydrogen-bonded Turntrans-104-7.1-177.9-54.1178.1-177-178.30113.5Y370 N371 L372Y370-K374 WeakPolarHBondContact OH-CE 3.06Å; Y370-K374 PolarHBondContact OH-NZ 3.38Å; N371-K374 PolarHBondContact O-N 3.01Å; N371-K374 VanDerWaalsContact O-N 3.13Å; L372-K374 PolarHBondContact O-N 2.91Å
375R95.8Very high97.1Very high90 Ų9027.5 Ų27.534%0.3412%0.124SC..  trans-70.5150.3-178.7-74.7-40.4-64.3-176.4-8.8110.6L223 R224 Y344 N371 L372 E377L223-R375 HydrophobicContact CD1-CB 3.85Å; R224-R375 VanDerWaalsContact CZ-O 3.23Å; R224-R375 PolarHBondContact NH1-O 2.78Å; R224-R375 VanDerWaalsContact NH1-O 3.07Å; R224-R375 PolarHBondContact NH2-O 3.22Å; Y344-R375 HydrophobicContact CD2-CG 3.86Å; Y344-R375 VanDerWaalsContact CD2-NE 3.27Å; Y344-R375 HydrophobicContact CE2-CG 4.05Å; Y344-R375 HydrophobicContact CG-CG 4.2Å; N371-R375 WeakPolarHBondContact O-CG 2.99Å; N371-R375 PolarHBondContact O-N 2.95Å; L372-R375 HydrophobicContact CD2-CG 4.32Å; L372-R375 WeakPolarHBondContact O-CB 3.22Å; L372-R375 PolarHBondContact O-N 2.91Å; R375-E377 VanDerWaalsContact CB-OE2 3.23Å; R375-E377 WeakPolarHBondContact CB-OE2 3.5Å; R375-E377 IonicContact CZ-OE1 3.58Å; R375-E377 IonicContact CZ-OE2 3.46Å; R375-E377 IonicContact NE-OE1 3.73Å; R375-E377 PolarHBondContact NE-OE1 3.37Å; R375-E377 IonicContact NE-OE2 3.65Å; R375-E377 PolarHBondContact NE-OE2 3.36Å; R375-E377 IonicContact NH2-OE1 3.96Å; R375-E377 PolarHBondContact NH2-OE1 3.28Å; R375-E377 IonicContact NH2-OE2 3.29Å; R375-E377 PolarHBondContact NH2-OE2 3.01Å
376Q96.2Very high96.7Very high46 Ų4629.4 Ų29.422%0.21514%0.144CC..  trans-96.5-7.4178.5-64.2-60.4-11.800113.8R224 F420 Y421R224-Q376 VanDerWaalsContact NH2-CA 3.3Å; Q376-F420 HydrophobicContact CB-CD1 3.83Å; Q376-F420 HydrophobicContact CB-CE1 3.32Å; Q376-F420 HydrophobicContact CB-CZ 3.81Å; Q376-F420 HydrophobicContact CG-CD1 3.92Å; Q376-F420 HydrophobicContact CG-CD2 4.49Å; Q376-F420 HydrophobicContact CG-CE1 3.75Å; Q376-F420 HydrophobicContact CG-CE2 4.34Å; Q376-F420 HydrophobicContact CG-CG 4.29Å; Q376-F420 HydrophobicContact CG-CZ 3.98Å; Q376-Y421 WeakPolarHBondContact O-CE1 3.03Å; Q376-Y421 PolarHBondContact O-OH 3.14Å
377E97.9Very high96.6Very high10 Ų1030 Ų305%0.04715%0.147CC..  trans-70.4156.9-176.9-64.191.8149.700113.5L223 V341 Y344 R375L223-E377 WeakPolarHBondContact CB-O 3.26Å; L223-E377 HydrophobicContact CD1-CB 4.32Å; V341-E377 CarbonylContact O-C 3.6Å; V341-E377 WeakPolarHBondContact O-CA 2.8Å; V341-E377 WeakPolarHBondContact O-CB 3.3Å; Y344-E377 WeakPolarHBondContact CD2-OE1 3.42Å; R375-E377 VanDerWaalsContact CB-OE2 3.23Å; R375-E377 WeakPolarHBondContact CB-OE2 3.5Å; R375-E377 IonicContact CZ-OE1 3.58Å; R375-E377 IonicContact CZ-OE2 3.46Å; R375-E377 IonicContact NE-OE1 3.73Å; R375-E377 PolarHBondContact NE-OE1 3.37Å; R375-E377 IonicContact NE-OE2 3.65Å; R375-E377 PolarHBondContact NE-OE2 3.36Å; R375-E377 IonicContact NH2-OE1 3.96Å; R375-E377 PolarHBondContact NH2-OE1 3.28Å; R375-E377 IonicContact NH2-OE2 3.29Å; R375-E377 PolarHBondContact NH2-OE2 3.01Å
378F98.5Very high96.5Very high0 Ų030 Ų300%015%0.147CC..SBendtrans-72.5-39178.3-58.9-24.8000112.6M214 P222 L223 R224 L229 A232 L233 I241 A273 V341 S342 Y421M214-F378 HydrophobicContact SD-CD2 4.02Å; P222-F378 CarbonylContact C-O 3.6Å; P222-F378 WeakPolarHBondContact CA-O 3.36Å; L223-F378 PolarHBondContact N-O 2.93Å; R224-F378 HydrophobicContact CG-CD1 4.37Å; R224-F378 PolarHBondContact N-O 3.28Å; L229-F378 HydrophobicContact CD2-CB 3.59Å; L229-F378 HydrophobicContact CD2-CD1 3.73Å; L229-F378 HydrophobicContact CD2-CD2 4.28Å; L229-F378 HydrophobicContact CD2-CE1 4.48Å; L229-F378 HydrophobicContact CD2-CG 3.61Å; A232-F378 HydrophobicContact CB-CE1 3.57Å; A232-F378 HydrophobicContact CB-CZ 4.09Å; L233-F378 HydrophobicContact CD2-CE2 3.99Å; L233-F378 HydrophobicContact CD2-CZ 4.12Å; L233-F378 HydrophobicContact CG-CZ 4.48Å; I241-F378 HydrophobicContact CG1-CE2 4.19Å; A273-F378 HydrophobicContact CB-CE2 4.17Å; V341-F378 HydrophobicContact CG2-CE1 4.32Å; V341-F378 HydrophobicContact CG2-CE2 4.26Å; V341-F378 HydrophobicContact CG2-CZ 3.93Å; V341-F378 PolarHBondContact O-N 3.25Å; S342-F378 WeakPolarHBondContact O-CB 3.49Å; S342-F378 PolarHBondContact O-N 3.03Å; F378-Y421 HydrophobicContact CD1-CE1 4.27Å; F378-Y421 HydrophobicContact CE1-CD1 4.03Å; F378-Y421 AromaticContact CE1-CE1 3.5Å; F378-Y421 HydrophobicContact CE1-CE1 3.5Å; F378-Y421 HydrophobicContact CZ-CD1 4.42Å; F378-Y421 HydrophobicContact CZ-CE1 4.29Å
379F98.6Very high96.3Very high0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-135.7157.9-176.5-62.9-93.8000111.5F121 L139 M214 I216 L221 P222 L229 S342 R343 Y344F121-F379 HydrophobicContact CE1-CZ 4.17Å; L139-F379 HydrophobicContact CD1-CE1 4.22Å; L139-F379 HydrophobicContact CD2-CE1 3.94Å; L139-F379 HydrophobicContact CD2-CZ 4.12Å; M214-F379 HydrophobicContact SD-CE2 3.85Å; I216-F379 HydrophobicContact CD1-CD1 4.48Å; I216-F379 HydrophobicContact CD1-CE1 3.57Å; I216-F379 HydrophobicContact CD1-CE2 4.34Å; I216-F379 HydrophobicContact CD1-CZ 3.51Å; I216-F379 HydrophobicContact CG1-CE1 4.38Å; I216-F379 HydrophobicContact CG1-CZ 4.35Å; L221-F379 CarbonylContact O-C 3.54Å; L221-F379 VanDerWaalsContact O-CA 3.3Å; L221-F379 WeakPolarHBondContact O-CA 3.37Å; P222-F379 VanDerWaalsContact CA-CD1 3.46Å; P222-F379 HydrophobicContact CB-CD1 4Å; P222-F379 HydrophobicContact CB-CE1 3.79Å; P222-F379 HydrophobicContact CG-CE1 4.43Å; L229-F379 HydrophobicContact CD1-CZ 4.4Å; L229-F379 HydrophobicContact CD2-CE2 4.46Å; S342-F379 PolarHBondContact O-N 3.19Å; R343-F379 CarbonylContact C-O 3.54Å; R343-F379 WeakPolarHBondContact CA-O 3.49Å; R343-F379 HydrophobicContact CG-CB 4.03Å; Y344-F379 PolarHBondContact N-O 2.6Å
380A98.4Very high96Very high0 Ų031.1 Ų31.10%015%0.153CC..EExtended strand (participates in β ladder)trans-112141.2169.900000111.2E220 L221 L223 L364 L372 F383 L395E220-A380 WeakPolarHBondContact CA-O 3.48Å; L221-A380 PolarHBondContact N-O 3.28Å; L221-A380 PolarHBondContact O-N 3.39Å; L223-A380 HydrophobicContact CD1-CB 4.13Å; L223-A380 HydrophobicContact CD2-CB 3.93Å; L223-A380 HydrophobicContact CG-CB 3.99Å; L364-A380 HydrophobicContact CD1-CB 3.87Å; L372-A380 HydrophobicContact CD1-CB 4.46Å; L372-A380 HydrophobicContact CD2-CB 3.84Å; A380-F383 HydrophobicContact CB-CE2 3.98Å; A380-F383 HydrophobicContact CB-CZ 4.28Å; A380-L395 HydrophobicContact CB-CD2 4.31Å
381N97.7Very high96Very high1 Ų127.9 Ų27.91%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-145.7124.9-172.8165.697.4000109.4E220 Y344 V345E220-N381 HydrophobicContact CG-CB 4.04Å; Y344-N381 PolarHBondContact O-N 3.09Å; V345-N381 WeakPolarHBondContact CG1-ND2 3.24Å; V345-N381 HydrophobicContact CG2-CB 4.02Å; V345-N381 VanDerWaalsContact CG2-ND2 3.31Å; V345-N381 WeakPolarHBondContact CG2-ND2 3.39Å
382K96.2Very high95.8Very high49 Ų4925 Ų2521%0.21313%0.125CC..  cis-130.5136.515.5-66.1-176.4-175.6-169.80113.3K219 I361 L364 Y384K219-K382 HydrophobicContact CB-CB 4.25Å; K219-K382 HydrophobicContact CB-CG 4.33Å; K219-K382 WeakPolarHBondContact O-CA 3.45Å; I361-K382 HydrophobicContact CD1-CD 4.15Å; I361-K382 VanDerWaalsContact CD1-CE 3.47Å; I361-K382 HydrophobicContact CG2-CD 4.31Å; I361-K382 HydrophobicContact CG2-CG 4.19Å; L364-K382 PolarHBondContact N-O 3.08Å; K382-Y384 HydrophobicContact CB-CD2 4.24Å; K382-Y384 HydrophobicContact CB-CE2 3.71Å; K382-Y384 HydrophobicContact CD-CE2 4.45Å
383F96.7Very high95.6Very high5 Ų525.2 Ų25.22%0.02213%0.126CC..  trans-94139.1168.1-60.8-86000110.3K219 L221 L364 L372 A380 A391 Y392 L395K219-F383 WeakPolarHBondContact CD-O 3.48Å; K219-F383 PolarHBondContact O-N 2.89Å; L221-F383 HydrophobicContact CB-CD2 4.3Å; L221-F383 HydrophobicContact CB-CE2 3.93Å; L364-F383 HydrophobicContact CB-CD1 3.98Å; L364-F383 HydrophobicContact CB-CE1 3.74Å; L364-F383 HydrophobicContact CB-CZ 4.11Å; L364-F383 HydrophobicContact CD1-CD2 4.42Å; L364-F383 HydrophobicContact CD1-CE1 4.22Å; L364-F383 HydrophobicContact CD1-CE2 3.83Å; L364-F383 HydrophobicContact CD1-CZ 3.7Å; L372-F383 HydrophobicContact CD1-CZ 4.31Å; A380-F383 HydrophobicContact CB-CE2 3.98Å; A380-F383 HydrophobicContact CB-CZ 4.28Å; F383-A391 HydrophobicContact CE1-CB 4.27Å; F383-Y392 HydrophobicContact CB-CD2 3.77Å; F383-Y392 HydrophobicContact CD1-CD2 4.36Å; F383-Y392 HydrophobicContact CD2-CD2 4.13Å; F383-Y392 AromaticContact CG-CD2 3.83Å; F383-Y392 HydrophobicContact CG-CD2 3.83Å; F383-L395 HydrophobicContact CE1-CD2 4.5Å; F383-L395 HydrophobicContact CE2-CD2 3.95Å; F383-L395 HydrophobicContact CZ-CD2 3.51Å
384Y94.9Very high95.5Very high37 Ų3724 Ų2415%0.14512%0.119CC..BIsolated β-bridgetrans-119.5144.3179.1-82.4-102.2000110.3Y358 M363 K382 F387Y358-Y384 WeakPolarHBondContact CB-OH 3.36Å; Y358-Y384 WeakPolarHBondContact CD1-OH 3.47Å; Y358-Y384 HydrophobicContact CD2-CE1 4.34Å; Y358-Y384 HydrophobicContact CG-CE1 4.22Å; Y358-Y384 AromaticContact CG-CZ 3.78Å; M363-Y384 HydrophobicContact CB-CD2 4.16Å; M363-Y384 HydrophobicContact CE-CD1 4.06Å; M363-Y384 HydrophobicContact CE-CD2 3.79Å; M363-Y384 HydrophobicContact CE-CG 3.51Å; M363-Y384 HydrophobicContact CG-CD2 3.63Å; M363-Y384 HydrophobicContact CG-CE2 3.82Å; M363-Y384 HydrophobicContact CG-CG 4.35Å; M363-Y384 HydrophobicContact SD-CD2 4.39Å; K382-Y384 HydrophobicContact CB-CD2 4.24Å; K382-Y384 HydrophobicContact CB-CE2 3.71Å; K382-Y384 HydrophobicContact CD-CE2 4.45Å; Y384-F387 PolarHBondContact O-N 2.83Å; Y384-F387 VanDerWaalsContact O-O 3.11Å
385N90.8Very high95.5Very high57 Ų5718.6 Ų18.631%0.30510%0.095SC..THydrogen-bonded Turntrans-70.6140.1179.3-53.6-26.7000110.1N128 R131 F387N128-N385 WeakPolarHBondContact CB-ND2 3.47Å; N128-N385 PolarHBondContact ND2-ND2 3.48Å; N128-N385 PolarHBondContact ND2-OD1 3.33Å; R131-N385 VanDerWaalsContact CG-OD1 3.28Å; R131-N385 WeakPolarHBondContact CG-OD1 3.2Å; R131-N385 PolarHBondContact NE-OD1 3.19Å; N385-F387 PolarHBondContact O-N 2.57Å
386G91.4Very high95.4Very high43 Ų4314.8 Ų14.844%0.4438%0.081SC..THydrogen-bonded Turntrans68.515.7-17800000113Y80 D389Y80-G386 VanDerWaalsContact CD1-O 3.29Å; Y80-G386 WeakPolarHBondContact CD1-O 3.25Å; G386-D389 WeakPolarHBondContact CA-OD2 3.42Å; G386-D389 PolarHBondContact N-OD1 3.28Å; G386-D389 PolarHBondContact N-OD2 3.13Å; G386-D389 VanDerWaalsContact N-OD2 3.11Å
387F95.3Very high95.2Very high12 Ų1213 Ų135%0.0537%0.073CC..BIsolated β-bridgetrans-138.6105.1176.6-175.6-101.8000109.9Q79 Y80 T354 K356 M363 Y384 N385 D389Q79-F387 HydrophobicContact CG-CD2 3.98Å; Q79-F387 HydrophobicContact CG-CE2 3.68Å; Y80-F387 HydrophobicContact CE1-CD2 4.4Å; T354-F387 HydrophobicContact CG2-CE1 4.22Å; T354-F387 HydrophobicContact CG2-CZ 4.39Å; K356-F387 HydrophobicContact CB-CE1 4.16Å; K356-F387 HydrophobicContact CB-CE2 4.18Å; K356-F387 HydrophobicContact CB-CZ 3.59Å; K356-F387 HydrophobicContact CG-CE2 3.78Å; K356-F387 HydrophobicContact CG-CZ 3.6Å; M363-F387 HydrophobicContact CB-CD1 3.78Å; M363-F387 HydrophobicContact CB-CE1 3.51Å; M363-F387 HydrophobicContact CE-CB 3.96Å; M363-F387 HydrophobicContact CE-CD1 3.52Å; M363-F387 HydrophobicContact CE-CD2 4.35Å; M363-F387 HydrophobicContact CE-CE1 4.06Å; M363-F387 HydrophobicContact CE-CG 3.67Å; M363-F387 HydrophobicContact SD-CD1 4.45Å; M363-F387 HydrophobicContact SD-CE1 4.43Å; Y384-F387 PolarHBondContact O-N 2.83Å; Y384-F387 VanDerWaalsContact O-O 3.11Å; N385-F387 PolarHBondContact O-N 2.57Å; F387-D389 VanDerWaalsContact C-N 3.31Å; F387-D389 PolarHBondContact O-N 3.36Å
388Y96Very high95Very high2 Ų213.7 Ų13.71%0.0088%0.075CC..SBendtrans48.152.5-171.7-69.2-87.1000112A75 Y78 Q79 T354 V366 Q367 S390 A391A75-Y388 WeakPolarHBondContact O-CE1 3.13Å; Y78-Y388 WeakPolarHBondContact O-CD1 3.45Å; Q79-Y388 HydrophobicContact CB-CD2 4.33Å; Q79-Y388 HydrophobicContact CB-CE1 4.11Å; Q79-Y388 HydrophobicContact CB-CE2 3.73Å; Q79-Y388 HydrophobicContact CG-CD2 4.08Å; Q79-Y388 HydrophobicContact CG-CE2 3.55Å; Q79-Y388 PolarHBondContact O-N 3.37Å; T354-Y388 HydrophobicContact CG2-CD2 4.06Å; T354-Y388 HydrophobicContact CG2-CE2 3.8Å; V366-Y388 HydrophobicContact CB-CD1 4.43Å; V366-Y388 HydrophobicContact CG1-CD1 4.16Å; V366-Y388 HydrophobicContact CG2-CD1 3.9Å; V366-Y388 HydrophobicContact CG2-CE1 3.81Å; Q367-Y388 PolarHBondContact NE2-OH 3.16Å; Y388-S390 PolarHBondContact O-N 2.97Å; Y388-A391 VanDerWaalsContact O-CB 3.26Å; Y388-A391 WeakPolarHBondContact O-CB 3.45Å; Y388-A391 PolarHBondContact O-N 3.22Å
389D93.1Very high94.8Very high34 Ų3413.7 Ų13.718%0.1828%0.075CC..Hα-helixtrans-56.3-35.8177.7-71.5-34.4000110.8R131 G386 F387 A391 Y392 D393R131-D389 IonicContact CZ-OD1 3.8Å; R131-D389 IonicContact NH2-OD1 3.47Å; R131-D389 PolarHBondContact NH2-OD1 3.41Å; G386-D389 WeakPolarHBondContact CA-OD2 3.42Å; G386-D389 PolarHBondContact N-OD1 3.28Å; G386-D389 PolarHBondContact N-OD2 3.13Å; G386-D389 VanDerWaalsContact N-OD2 3.11Å; F387-D389 VanDerWaalsContact C-N 3.31Å; F387-D389 PolarHBondContact O-N 3.36Å; D389-A391 PolarHBondContact O-N 3.45Å; D389-A391 VanDerWaalsContact O-N 3.12Å; D389-Y392 WeakPolarHBondContact O-CA 3.46Å; D389-Y392 WeakPolarHBondContact O-CB 3.44Å; D389-Y392 PolarHBondContact O-N 3.41Å; D389-D393 VanDerWaalsContact C-OD2 3.25Å; D389-D393 PolarHBondContact O-N 3.38Å
390S93.6Very high94.5Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-51.6-32.517156.20000114.4V366 Y388 D393 C394V366-S390 VanDerWaalsContact CG1-OG 3.26Å; V366-S390 WeakPolarHBondContact CG1-OG 3.27Å; Y388-S390 PolarHBondContact O-N 2.97Å; S390-D393 PolarHBondContact N-OD2 3.45Å; S390-D393 PolarHBondContact O-N 3.44Å; S390-C394 VanDerWaalsContact O-CB 3.28Å; S390-C394 WeakPolarHBondContact O-CB 3.37Å; S390-C394 PolarHBondContact O-N 3.46Å; S390-C394 PolarHBondContact O-SG 3.4Å
391A96.4Very high94.1Very high0 Ų016.8 Ų16.80%09%0.089CC..Hα-helixtrans-69.4-36.1176.200000112.5G365 V366 L369 F383 Y388 D389 L395G365-A391 VanDerWaalsContact CA-CB 3.44Å; V366-A391 HydrophobicContact CG1-CB 4.15Å; L369-A391 WeakPolarHBondContact CD2-O 3.35Å; F383-A391 HydrophobicContact CE1-CB 4.27Å; Y388-A391 VanDerWaalsContact O-CB 3.26Å; Y388-A391 WeakPolarHBondContact O-CB 3.45Å; Y388-A391 PolarHBondContact O-N 3.22Å; D389-A391 PolarHBondContact O-N 3.45Å; D389-A391 VanDerWaalsContact O-N 3.12Å; A391-L395 WeakPolarHBondContact O-CB 3.36Å; A391-L395 PolarHBondContact O-N 3.17Å
392Y94.6Very high93.9Very high0 Ų016.9 Ų16.90%09%0.089CC..Hα-helixtrans-68.9-44.5173-175.1-75.6000110R131 R134 L221 F383 D389 C394 L395 E396R131-Y392 VanDerWaalsContact NH1-CB 3.31Å; R131-Y392 VanDerWaalsContact NH1-CE1 3.34Å; R131-Y392 PolarHBondContact O-OH 2.85Å; R134-Y392 HydrophobicContact CB-CE1 4.41Å; R134-Y392 VanDerWaalsContact NH2-CD1 3.33Å; L221-Y392 HydrophobicContact CB-CE2 4.44Å; L221-Y392 HydrophobicContact CD1-CD2 4.41Å; L221-Y392 HydrophobicContact CD1-CE1 3.85Å; L221-Y392 HydrophobicContact CD1-CE2 3.71Å; L221-Y392 WeakPolarHBondContact CD1-OH 3.28Å; L221-Y392 HydrophobicContact CD2-CD1 4.32Å; L221-Y392 HydrophobicContact CD2-CD2 4.42Å; L221-Y392 HydrophobicContact CD2-CE1 4.42Å; L221-Y392 HydrophobicContact CD2-CG 4.35Å; L221-Y392 WeakPolarHBondContact CD2-O 3.32Å; L221-Y392 HydrophobicContact CG-CE2 4.46Å; F383-Y392 HydrophobicContact CB-CD2 3.77Å; F383-Y392 HydrophobicContact CD1-CD2 4.36Å; F383-Y392 HydrophobicContact CD2-CD2 4.13Å; F383-Y392 AromaticContact CG-CD2 3.83Å; F383-Y392 HydrophobicContact CG-CD2 3.83Å; D389-Y392 WeakPolarHBondContact O-CA 3.46Å; D389-Y392 WeakPolarHBondContact O-CB 3.44Å; D389-Y392 PolarHBondContact O-N 3.41Å; Y392-C394 PolarHBondContact O-N 3.35Å; Y392-L395 PolarHBondContact O-N 3.08Å; Y392-E396 PolarHBondContact O-N 3.38Å
393D92.7Very high93.7Very high5 Ų514.8 Ų14.83%0.0278%0.08CC..Hα-helixtrans-67.1-40.7-174.6-46.2-34.5000111.7L58 T83 L87 R131 R134 D389 S390 L395 E396 Y397L58-D393 HydrophobicContact CD1-CB 4.45Å; T83-D393 WeakPolarHBondContact CB-OD2 3.45Å; T83-D393 VanDerWaalsContact CG2-OD2 3.25Å; T83-D393 WeakPolarHBondContact CG2-OD2 3.35Å; T83-D393 PolarHBondContact OG1-OD2 3.01Å; L87-D393 HydrophobicContact CD2-CB 4.24Å; L87-D393 WeakPolarHBondContact CD2-OD1 3.49Å; R131-D393 IonicContact NH1-OD1 3.89Å; R134-D393 IonicContact CZ-OD1 2.91Å; R134-D393 IonicContact NH1-OD1 3.29Å; R134-D393 PolarHBondContact NH1-OD1 3.33Å; R134-D393 IonicContact NH2-OD1 2.77Å; R134-D393 PolarHBondContact NH2-OD1 3.14Å; D389-D393 VanDerWaalsContact C-OD2 3.25Å; D389-D393 PolarHBondContact O-N 3.38Å; S390-D393 PolarHBondContact N-OD2 3.45Å; S390-D393 PolarHBondContact O-N 3.44Å; D393-L395 VanDerWaalsContact C-N 3.31Å; D393-L395 PolarHBondContact O-N 3.26Å; D393-E396 PolarHBondContact O-N 2.74Å; D393-Y397 WeakPolarHBondContact O-CB 3.38Å; D393-Y397 PolarHBondContact O-N 2.93Å
394C94.8Very high93.3Very high0 Ų014.7 Ų14.70%08%0.08CC..Hα-helixtrans-69.2-29.9175.6-64.90000113.2C62 L369 S390 Y392 W398C62-C394 WeakPolarHBondContact CA-SG 3.37Å; C62-C394 HydrophobicContact CB-CB 3.55Å; C62-C394 WeakPolarHBondContact CB-SG 2.94Å; C62-C394 WeakPolarHBondContact SG-CA 3.17Å; C62-C394 WeakPolarHBondContact SG-CB 3.37Å; C62-C394 CovalentContact SG-SG 2.05Å; C62-C394 PolarHBondContact SG-SG 3.09Å; L369-C394 HydrophobicContact CD1-CB 3.64Å; L369-C394 HydrophobicContact CD2-CB 4.12Å; S390-C394 VanDerWaalsContact O-CB 3.28Å; S390-C394 WeakPolarHBondContact O-CB 3.37Å; S390-C394 PolarHBondContact O-N 3.46Å; S390-C394 PolarHBondContact O-SG 3.4Å; Y392-C394 PolarHBondContact O-N 3.35Å; C394-W398 WeakPolarHBondContact O-CB 3.49Å; C394-W398 PolarHBondContact O-N 3.06Å
395L96Very high93.1Very high0 Ų015 Ų150%08%0.084CC..Hα-helixtrans-75.1-36.5172.8-17068.4000111.8L221 L223 L369 L372 A380 F383 A391 Y392 D393 W398 V399L221-L395 HydrophobicContact CB-CD2 4Å; L221-L395 HydrophobicContact CD2-CB 3.66Å; L221-L395 HydrophobicContact CD2-CD2 3.79Å; L221-L395 HydrophobicContact CD2-CG 3.74Å; L221-L395 HydrophobicContact CG-CD2 4.35Å; L223-L395 HydrophobicContact CD2-CD1 3.72Å; L223-L395 HydrophobicContact CD2-CD2 3.79Å; L223-L395 HydrophobicContact CD2-CG 4.28Å; L369-L395 HydrophobicContact CD2-CB 4.03Å; L372-L395 HydrophobicContact CB-CD1 4.36Å; L372-L395 HydrophobicContact CD1-CD2 4.18Å; A380-L395 HydrophobicContact CB-CD2 4.31Å; F383-L395 HydrophobicContact CE1-CD2 4.5Å; F383-L395 HydrophobicContact CE2-CD2 3.95Å; F383-L395 HydrophobicContact CZ-CD2 3.51Å; A391-L395 WeakPolarHBondContact O-CB 3.36Å; A391-L395 PolarHBondContact O-N 3.17Å; Y392-L395 PolarHBondContact O-N 3.08Å; D393-L395 VanDerWaalsContact C-N 3.31Å; D393-L395 PolarHBondContact O-N 3.26Å; L395-W398 HydrophobicContact CD1-CE3 3.71Å; L395-W398 HydrophobicContact CD1-CZ3 4.25Å; L395-W398 PolarHBondContact O-N 3.41Å; L395-V399 WeakPolarHBondContact O-CG2 3.31Å; L395-V399 PolarHBondContact O-N 2.88Å; L395-V399 VanDerWaalsContact O-N 3.07Å
396E93.5Very high93.2Very high10 Ų1012.3 Ų12.35%0.0477%0.069CC..Hα-helixtrans-59.7-50.6169.9171.4171.4-152.500110.1R134 R137 I138 L221 Y392 D393 W398 V399 L400R134-E396 IonicContact CZ-OE2 3.91Å; R134-E396 IonicContact NE-OE2 2.67Å; R134-E396 PolarHBondContact NE-OE2 3.28Å; R134-E396 IonicContact NH2-OE2 3.36Å; R134-E396 PolarHBondContact NH2-OE2 3.38Å; R137-E396 IonicContact CZ-OE1 2.8Å; R137-E396 IonicContact NE-OE1 3.88Å; R137-E396 IonicContact NH2-OE1 2.6Å; R137-E396 PolarHBondContact NH2-OE1 3.44Å; R137-E396 IonicContact NH2-OE2 3.39Å; I138-E396 HydrophobicContact CD1-CB 3.9Å; I138-E396 HydrophobicContact CD1-CG 3.52Å; I138-E396 HydrophobicContact CG1-CG 3.97Å; L221-E396 HydrophobicContact CD2-CB 4.23Å; Y392-E396 PolarHBondContact O-N 3.38Å; D393-E396 PolarHBondContact O-N 2.74Å; E396-W398 VanDerWaalsContact C-N 3.28Å; E396-W398 PolarHBondContact O-N 3.49Å; E396-V399 PolarHBondContact O-N 3.2Å; E396-V399 VanDerWaalsContact O-N 3.15Å; E396-L400 HydrophobicContact CG-CD1 3.9Å; E396-L400 HydrophobicContact CG-CG 4.3Å; E396-L400 WeakPolarHBondContact O-CG 3.41Å; E396-L400 PolarHBondContact O-N 3.46Å
397Y91.8Very high93Very high9 Ų914.7 Ų14.74%0.0357%0.065CC..Hα-helixtrans-50.5-48.4174.6169.3-93.4000111.9Y51 I54 I59 C62 E63 L66 D393 V399 L400 K401Y51-Y397 HydrophobicContact CD1-CE2 4.31Å; Y51-Y397 AromaticContact CE1-CE2 3.67Å; Y51-Y397 HydrophobicContact CE1-CE2 3.67Å; Y51-Y397 AromaticContact CE1-CZ 3.88Å; Y51-Y397 VanDerWaalsContact CE1-OH 3.25Å; Y51-Y397 WeakPolarHBondContact CE1-OH 3.36Å; Y51-Y397 PolarHBondContact OH-OH 3.46Å; I54-Y397 HydrophobicContact CD1-CD2 3.7Å; I54-Y397 HydrophobicContact CD1-CE2 4.07Å; I59-Y397 HydrophobicContact CG1-CE2 3.94Å; I59-Y397 HydrophobicContact CG2-CE2 4.35Å; C62-Y397 HydrophobicContact CB-CD1 3.89Å; C62-Y397 HydrophobicContact CB-CE1 4.37Å; C62-Y397 HydrophobicContact CB-CG 4.27Å; E63-Y397 HydrophobicContact CG-CE1 4.45Å; E63-Y397 VanDerWaalsContact OE1-CE1 3.32Å; E63-Y397 WeakPolarHBondContact OE1-CE1 3.44Å; E63-Y397 PolarHBondContact OE1-OH 3.35Å; L66-Y397 HydrophobicContact CD1-CD1 3.79Å; L66-Y397 HydrophobicContact CD1-CE1 4.15Å; D393-Y397 WeakPolarHBondContact O-CB 3.38Å; D393-Y397 PolarHBondContact O-N 2.93Å; Y397-V399 PolarHBondContact O-N 3.43Å; Y397-L400 PolarHBondContact O-N 2.91Å; Y397-K401 HydrophobicContact CE1-CD 4.2Å; Y397-K401 WeakPolarHBondContact O-CB 3.4Å; Y397-K401 PolarHBondContact O-N 2.88Å
398W94.4Very high92.7Very high24 Ų2415.8 Ų15.89%0.0917%0.071CC..Hα-helixtrans-61.7-43.9-179.8-179.269.1000112.4L66 L223 T373 C394 L395 E396 K401 K402L66-W398 HydrophobicContact CD1-CB 3.82Å; L66-W398 HydrophobicContact CD1-CG 4.31Å; L66-W398 HydrophobicContact CD2-CB 3.81Å; L66-W398 HydrophobicContact CD2-CG 3.93Å; L223-W398 HydrophobicContact CB-CZ3 4.46Å; L223-W398 HydrophobicContact CD2-CZ3 4.37Å; L223-W398 WeakPolarHBondContact O-CZ3 3.48Å; T373-W398 HydrophobicContact CG2-CD2 4.29Å; T373-W398 HydrophobicContact CG2-CZ2 4.19Å; C394-W398 WeakPolarHBondContact O-CB 3.49Å; C394-W398 PolarHBondContact O-N 3.06Å; L395-W398 HydrophobicContact CD1-CE3 3.71Å; L395-W398 HydrophobicContact CD1-CZ3 4.25Å; L395-W398 PolarHBondContact O-N 3.41Å; E396-W398 VanDerWaalsContact C-N 3.28Å; E396-W398 PolarHBondContact O-N 3.49Å; W398-K401 WeakPolarHBondContact O-CB 3.46Å; W398-K401 PolarHBondContact O-N 3.19Å; W398-K402 HydrophobicContact CH2-CD 4.13Å; W398-K402 HydrophobicContact CZ2-CD 3.85Å; W398-K402 WeakPolarHBondContact O-CG 3.49Å; W398-K402 PolarHBondContact O-N 2.89Å
399V94.5Very high92.4Very high0 Ų019.6 Ų19.60%010%0.095CC..Hα-helixtrans-64.7-41.6176.6176.20000111.4I138 P222 L395 E396 Y397 K401 K402 M403I138-V399 HydrophobicContact CG2-CB 4.44Å; I138-V399 HydrophobicContact CG2-CG1 3.71Å; P222-V399 VanDerWaalsContact O-CG2 3.27Å; P222-V399 WeakPolarHBondContact O-CG2 2.97Å; L395-V399 WeakPolarHBondContact O-CG2 3.31Å; L395-V399 PolarHBondContact O-N 2.88Å; L395-V399 VanDerWaalsContact O-N 3.07Å; E396-V399 PolarHBondContact O-N 3.2Å; E396-V399 VanDerWaalsContact O-N 3.15Å; Y397-V399 PolarHBondContact O-N 3.43Å; V399-K401 VanDerWaalsContact C-N 3.34Å; V399-K401 PolarHBondContact O-N 3.32Å; V399-K402 WeakPolarHBondContact O-CB 3.34Å; V399-K402 PolarHBondContact O-N 2.9Å; V399-M403 HydrophobicContact CG1-SD 4.18Å; V399-M403 WeakPolarHBondContact O-CG 3.44Å; V399-M403 PolarHBondContact O-N 3.49Å
400L90.8Very high92.4Very high8 Ų820 Ų204%0.04211%0.106CC..Hα-helixtrans-63.3-39.7176.5-66.2175.9000111.8L104 L107 E396 Y397 K402 M403 M404L104-L400 HydrophobicContact CD1-CD1 4.21Å; L104-L400 HydrophobicContact CD1-CD2 3.96Å; L104-L400 HydrophobicContact CD2-CD1 4.34Å; L104-L400 HydrophobicContact CD2-CD2 4.37Å; L107-L400 HydrophobicContact CD1-CB 4.48Å; L107-L400 HydrophobicContact CD1-CD2 3.79Å; E396-L400 HydrophobicContact CG-CD1 3.9Å; E396-L400 HydrophobicContact CG-CG 4.3Å; E396-L400 WeakPolarHBondContact O-CG 3.41Å; E396-L400 PolarHBondContact O-N 3.46Å; Y397-L400 PolarHBondContact O-N 2.91Å; L400-K402 VanDerWaalsContact C-N 3.32Å; L400-K402 PolarHBondContact O-N 3.45Å; L400-M403 HydrophobicContact CD2-CE 4.47Å; L400-M403 HydrophobicContact CD2-SD 4.36Å; L400-M403 PolarHBondContact O-N 3.22Å; L400-M404 PolarHBondContact O-N 3.2Å
401K90.2Very high92.4Very high56 Ų5628.8 Ų28.824%0.24314%0.14CC..Hα-helixtrans-60.2-41.1173.7-175.2179.7179.3179.70111.6E63 Y397 W398 V399 M404 N405E63-K401 IonicContact OE1-NZ 2.65Å; E63-K401 PolarHBondContact OE1-NZ 3.33Å; E63-K401 IonicContact OE2-NZ 3.37Å; E63-K401 PolarHBondContact OE2-NZ 3.09Å; Y397-K401 HydrophobicContact CE1-CD 4.2Å; Y397-K401 WeakPolarHBondContact O-CB 3.4Å; Y397-K401 PolarHBondContact O-N 2.88Å; W398-K401 WeakPolarHBondContact O-CB 3.46Å; W398-K401 PolarHBondContact O-N 3.19Å; V399-K401 VanDerWaalsContact C-N 3.34Å; V399-K401 PolarHBondContact O-N 3.32Å; K401-M404 PolarHBondContact O-N 3.17Å; K401-N405 PolarHBondContact O-N 2.95Å; K401-N405 PolarHBondContact O-ND2 2.87Å
402K93.5Very high92.3Very high3 Ų330.6 Ų30.61%0.01315%0.149CC..Hα-helixtrans-64.1-48.1174.2-69-165.4-65.2165.20112.2L223 T225 E228 W398 V399 L400 M404 N405 E406 D413L223-K402 PolarHBondContact O-NZ 3.16Å; T225-K402 HydrophobicContact CG2-CB 3.68Å; E228-K402 IonicContact OE1-NZ 3.95Å; E228-K402 PolarHBondContact OE1-NZ 2.86Å; E228-K402 IonicContact OE2-NZ 2.83Å; E228-K402 PolarHBondContact OE2-NZ 2.91Å; W398-K402 HydrophobicContact CH2-CD 4.13Å; W398-K402 HydrophobicContact CZ2-CD 3.85Å; W398-K402 WeakPolarHBondContact O-CG 3.49Å; W398-K402 PolarHBondContact O-N 2.89Å; V399-K402 WeakPolarHBondContact O-CB 3.34Å; V399-K402 PolarHBondContact O-N 2.9Å; L400-K402 VanDerWaalsContact C-N 3.32Å; L400-K402 PolarHBondContact O-N 3.45Å; K402-M404 PolarHBondContact O-N 2.96Å; K402-N405 PolarHBondContact O-N 3.12Å; K402-N405 VanDerWaalsContact O-N 3.07Å; K402-E406 WeakPolarHBondContact O-CG 3.35Å; K402-E406 PolarHBondContact O-N 3.4Å; K402-D413 HydrophobicContact CD-CB 4Å; K402-D413 HydrophobicContact CG-CB 4.44Å
403M92.1Very high92.3Very high5 Ų531.9 Ų31.93%0.02516%0.156CC..Hα-helixtrans-56.9-38.2177-71.8172.645.600112.3L107 T225 V399 L400 R407L107-M403 HydrophobicContact CB-CE 3.75Å; L107-M403 HydrophobicContact CD1-CE 4.19Å; T225-M403 HydrophobicContact CG2-CG 3.73Å; V399-M403 HydrophobicContact CG1-SD 4.18Å; V399-M403 WeakPolarHBondContact O-CG 3.44Å; V399-M403 PolarHBondContact O-N 3.49Å; L400-M403 HydrophobicContact CD2-CE 4.47Å; L400-M403 HydrophobicContact CD2-SD 4.36Å; L400-M403 PolarHBondContact O-N 3.22Å; M403-R407 PolarHBondContact O-N 3.13Å; M403-R407 VanDerWaalsContact O-N 3.09Å
404M88.6Confident92.3Very high3 Ų337.8 Ų37.82%0.01520%0.195CC..Hα-helixtrans-65.1-49.4173.5177.660.786.700112.2N46 I50 Y106 L107 L400 K401 K402 E406 R407 L408N46-M404 VanDerWaalsContact C-CE 3.45Å; N46-M404 HydrophobicContact CB-CE 3.86Å; N46-M404 HydrophobicContact CB-SD 3.86Å; N46-M404 WeakPolarHBondContact O-CE 3.47Å; I50-M404 HydrophobicContact CB-CE 4.47Å; I50-M404 HydrophobicContact CD1-CB 3.5Å; I50-M404 HydrophobicContact CD1-CE 3.34Å; I50-M404 HydrophobicContact CD1-CG 3.84Å; I50-M404 HydrophobicContact CD1-SD 4.44Å; I50-M404 HydrophobicContact CG1-CE 3.4Å; I50-M404 VanDerWaalsContact CG1-CE 3.4Å; Y106-M404 HydrophobicContact CD2-CE 4.34Å; Y106-M404 HydrophobicContact CE2-CE 3.31Å; Y106-M404 HydrophobicContact CE2-SD 4.33Å; L107-M404 HydrophobicContact CD2-CB 3.92Å; L107-M404 HydrophobicContact CD2-CE 3.99Å; L107-M404 HydrophobicContact CD2-SD 4.21Å; L400-M404 PolarHBondContact O-N 3.2Å; K401-M404 PolarHBondContact O-N 3.17Å; K402-M404 PolarHBondContact O-N 2.96Å; M404-E406 PolarHBondContact O-N 3.1Å; M404-R407 PolarHBondContact O-N 3Å; M404-R407 VanDerWaalsContact O-N 3.14Å; M404-L408 HydrophobicContact CG-CD1 3.64Å; M404-L408 HydrophobicContact CG-CG 4.08Å; M404-L408 WeakPolarHBondContact O-CB 3.32Å; M404-L408 VanDerWaalsContact O-CG 3.3Å; M404-L408 WeakPolarHBondContact O-CG 3.47Å; M404-L408 PolarHBondContact O-N 3.27Å; M404-L408 HydrophobicContact SD-CD1 3.67Å; M404-L408 HydrophobicContact SD-CD2 4.14Å; M404-L408 HydrophobicContact SD-CG 3.65Å
405N90.8Very high92.1Very high43 Ų4342 Ų4223%0.2322%0.221CC..Hα-helixtrans-59.1-39.4178.8-72.1-22.4000111.3K401 K402 L408 T409K401-N405 PolarHBondContact O-N 2.95Å; K401-N405 PolarHBondContact O-ND2 2.87Å; K402-N405 PolarHBondContact O-N 3.12Å; K402-N405 VanDerWaalsContact O-N 3.07Å; N405-L408 PolarHBondContact O-N 3.02Å; N405-T409 WeakPolarHBondContact O-CB 3.35Å; N405-T409 WeakPolarHBondContact O-CG2 3.48Å; N405-T409 PolarHBondContact O-N 3.34Å; N405-T409 PolarHBondContact O-OG1 3.2Å
406E92.6Very high92.2Very high1 Ų142.7 Ų42.71%0.00522%0.224CC..Hα-helixtrans-58-49.5173.3-72.2173.5167.500112W109 T225 W227 K402 M404 G410 R411W109-E406 HydrophobicContact CZ2-CB 4.47Å; T225-E406 WeakPolarHBondContact CB-OE1 3.33Å; T225-E406 WeakPolarHBondContact CB-OE2 3.49Å; T225-E406 WeakPolarHBondContact CG2-OE1 3.23Å; T225-E406 VanDerWaalsContact OG1-CD 3.3Å; T225-E406 PolarHBondContact OG1-OE1 3.41Å; T225-E406 PolarHBondContact OG1-OE2 3.05Å; W227-E406 HydrophobicContact CE3-CB 4.04Å; W227-E406 HydrophobicContact CE3-CG 3.87Å; W227-E406 HydrophobicContact CZ3-CB 4.23Å; W227-E406 HydrophobicContact CZ3-CG 4.26Å; K402-E406 WeakPolarHBondContact O-CG 3.35Å; K402-E406 PolarHBondContact O-N 3.4Å; M404-E406 PolarHBondContact O-N 3.1Å; E406-G410 WeakPolarHBondContact O-CA 3.31Å; E406-G410 PolarHBondContact O-N 3.4Å; E406-R411 WeakPolarHBondContact CA-O 3.45Å
407R88.1Confident92.3Very high94 Ų9445.8 Ų45.836%0.35524%0.241SC..Hα-helixtrans-62-44.8177.8176178.2173.196.83.7112.2Y106 W109 M403 M404Y106-R407 WeakPolarHBondContact O-CD 3.35Å; Y106-R407 PolarHBondContact O-NE 3.26Å; Y106-R407 VanDerWaalsContact O-NE 3.12Å; Y106-R407 PolarHBondContact O-NH1 3.16Å; W109-R407 HydrophobicContact CB-CG 4.14Å; W109-R407 HydrophobicContact CG-CB 4.14Å; W109-R407 HydrophobicContact CG-CG 4.25Å; M403-R407 PolarHBondContact O-N 3.13Å; M403-R407 VanDerWaalsContact O-N 3.09Å; M404-R407 PolarHBondContact O-N 3Å; M404-R407 VanDerWaalsContact O-N 3.14Å
408L87.8Confident92.6Very high35 Ų3547.4 Ų47.418%0.18325%0.252CS..Hα-helixtrans-72.5-35.3-174.4-72.1-179.7000113.2T43 N46 R47 M404 N405T43-L408 HydrophobicContact CG2-CB 4.1Å; T43-L408 HydrophobicContact CG2-CD1 4.06Å; T43-L408 HydrophobicContact CG2-CD2 3.84Å; T43-L408 HydrophobicContact CG2-CG 4.22Å; N46-L408 HydrophobicContact CB-CD2 3.85Å; N46-L408 WeakPolarHBondContact ND2-CD2 3.34Å; R47-L408 HydrophobicContact CG-CD1 4.41Å; M404-L408 HydrophobicContact CG-CD1 3.64Å; M404-L408 HydrophobicContact CG-CG 4.08Å; M404-L408 WeakPolarHBondContact O-CB 3.32Å; M404-L408 VanDerWaalsContact O-CG 3.3Å; M404-L408 WeakPolarHBondContact O-CG 3.47Å; M404-L408 PolarHBondContact O-N 3.27Å; M404-L408 HydrophobicContact SD-CD1 3.67Å; M404-L408 HydrophobicContact SD-CD2 4.14Å; M404-L408 HydrophobicContact SD-CG 3.65Å; N405-L408 PolarHBondContact O-N 3.02Å
409T91.2Very high92.8Very high82 Ų8251 Ų5150%0.50327%0.27SS..Hα-helixtrans-105.9-16.2-172.867.80000113.1N405 R411N405-T409 WeakPolarHBondContact O-CB 3.35Å; N405-T409 WeakPolarHBondContact O-CG2 3.48Å; N405-T409 PolarHBondContact O-N 3.34Å; N405-T409 PolarHBondContact O-OG1 3.2Å; T409-R411 PolarHBondContact O-N 3.23Å; T409-R411 PolarHBondContact OG1-N 2.68Å
410G91.7Very high92.9Very high41 Ų4152.4 Ų52.442%0.42328%0.276SS..SBendtrans63.624.5-170.100000112.9W227 E406W227-G410 WeakPolarHBondContact CH2-O 3.5Å; E406-G410 WeakPolarHBondContact O-CA 3.31Å; E406-G410 PolarHBondContact O-N 3.4Å
411R93.7Very high93.3Very high186 Ų18652 Ų5270%0.70227%0.274SS*.SBendtrans-131.8148-176.7-62175.8-174.4179.40.8110.8E406 T409E406-R411 WeakPolarHBondContact CA-O 3.45Å; T409-R411 PolarHBondContact O-N 3.23Å; T409-R411 PolarHBondContact OG1-N 2.68Å
412L94.9Very high93.7Very high38 Ų3850.6 Ų50.620%0.19927%0.273CS..  trans-64.6162.1170.8-63.6160.9000110.4W227 E228 K231 F416W227-L412 HydrophobicContact CB-CD2 4.24Å; W227-L412 HydrophobicContact CD2-CD2 3.48Å; W227-L412 VanDerWaalsContact CD2-CD2 3.48Å; W227-L412 HydrophobicContact CD2-CG 4.21Å; W227-L412 HydrophobicContact CE3-CD2 3.63Å; W227-L412 HydrophobicContact CE3-CG 4.18Å; W227-L412 HydrophobicContact CG-CD2 3.77Å; W227-L412 HydrophobicContact CH2-CG 4.42Å; W227-L412 HydrophobicContact CZ2-CG 4.43Å; W227-L412 HydrophobicContact CZ3-CD2 4.23Å; W227-L412 HydrophobicContact CZ3-CG 4.29Å; E228-L412 HydrophobicContact CG-CD2 3.93Å; K231-L412 HydrophobicContact CB-CD1 4.49Å; K231-L412 HydrophobicContact CD-CD1 4.21Å; K231-L412 HydrophobicContact CG-CD1 3.76Å; K231-L412 HydrophobicContact CG-CD2 4.22Å; L412-F416 HydrophobicContact CB-CD1 4.31Å; L412-F416 HydrophobicContact CD1-CD1 3.85Å; L412-F416 HydrophobicContact CD1-CE1 4.08Å; L412-F416 HydrophobicContact CD2-CD1 4.38Å; L412-F416 HydrophobicContact CG-CD1 4.4Å
413D93.8Very high93.9Very high26 Ų2653.8 Ų53.814%0.13929%0.288CS..  trans-55.8133.3171.4-169.9-81.7000110.5E228 K402 T415 F416E228-D413 WeakPolarHBondContact OE1-CB 3.23Å; K402-D413 HydrophobicContact CD-CB 4Å; K402-D413 HydrophobicContact CG-CB 4.44Å; D413-T415 PolarHBondContact O-N 2.69Å; D413-T415 WeakPolarHBondContact OD1-CB 3.31Å; D413-T415 PolarHBondContact OD1-N 3.2Å; D413-T415 PolarHBondContact OD1-OG1 3.18Å; D413-F416 WeakPolarHBondContact O-CB 3.33Å; D413-F416 PolarHBondContact O-N 2.63Å
414P92.6Very high94.1Very high130 Ų13054 Ų5484%0.84429%0.289SS*.THydrogen-bonded Turntrans-58.3-20.1-177.4-26.534.9000115
415T92Very high94.5Very high88 Ų8855.2 Ų55.254%0.5430%0.295SS..THydrogen-bonded Turntrans-86.3-1017867.30000113.5D413D413-T415 PolarHBondContact O-N 2.69Å; D413-T415 WeakPolarHBondContact OD1-CB 3.31Å; D413-T415 PolarHBondContact OD1-N 3.2Å; D413-T415 PolarHBondContact OD1-OG1 3.18Å
416F97.4Very high94.8Very high14 Ų1454.1 Ų54.16%0.06129%0.29CS..  trans-86118179.8-179.8-99.1000111.1E228 K231 A232 L412 D413 P418 Y421E228-F416 HydrophobicContact CB-CD1 4.44Å; E228-F416 HydrophobicContact CB-CD2 3.88Å; E228-F416 HydrophobicContact CB-CE1 4.25Å; E228-F416 HydrophobicContact CB-CE2 3.69Å; E228-F416 HydrophobicContact CB-CG 4.25Å; E228-F416 HydrophobicContact CB-CZ 3.9Å; E228-F416 HydrophobicContact CG-CB 4.25Å; E228-F416 HydrophobicContact CG-CD1 4.01Å; E228-F416 HydrophobicContact CG-CD2 3.77Å; E228-F416 HydrophobicContact CG-CE1 4.29Å; E228-F416 HydrophobicContact CG-CE2 4.1Å; E228-F416 HydrophobicContact CG-CG 3.72Å; E228-F416 HydrophobicContact CG-CZ 4.36Å; E228-F416 WeakPolarHBondContact O-CZ 3.39Å; K231-F416 HydrophobicContact CB-CE1 3.59Å; K231-F416 HydrophobicContact CB-CZ 3.94Å; K231-F416 HydrophobicContact CG-CE1 4.36Å; A232-F416 HydrophobicContact CB-CE2 4.42Å; A232-F416 HydrophobicContact CB-CZ 4.05Å; L412-F416 HydrophobicContact CB-CD1 4.31Å; L412-F416 HydrophobicContact CD1-CD1 3.85Å; L412-F416 HydrophobicContact CD1-CE1 4.08Å; L412-F416 HydrophobicContact CD2-CD1 4.38Å; L412-F416 HydrophobicContact CG-CD1 4.4Å; D413-F416 WeakPolarHBondContact O-CB 3.33Å; D413-F416 PolarHBondContact O-N 2.63Å; F416-P418 HydrophobicContact CD1-CG 4.19Å; F416-P418 HydrophobicContact CE1-CB 4.47Å; F416-P418 HydrophobicContact CE1-CG 3.77Å; F416-Y421 HydrophobicContact CD2-CE2 4.35Å; F416-Y421 AromaticContact CE2-CE2 3.48Å; F416-Y421 HydrophobicContact CE2-CE2 3.48Å; F416-Y421 VanDerWaalsContact CE2-CE2 3.48Å; F416-Y421 AromaticContact CE2-CZ 3.92Å; F416-Y421 HydrophobicContact CZ-CD2 4.4Å; F416-Y421 AromaticContact CZ-CE2 3.75Å; F416-Y421 HydrophobicContact CZ-CE2 3.75Å
417D96.8Very high95Very high76 Ų7654.3 Ų54.341%0.40629%0.291SS..  trans-113.8105.6179.4178.520.4000111.5Q419 F420 Y421D417-Q419 PolarHBondContact O-N 2.84Å; D417-Q419 WeakPolarHBondContact OD1-CB 3.45Å; D417-Q419 PolarHBondContact OD1-N 2.77Å; D417-F420 PolarHBondContact OD2-N 3.31Å; D417-Y421 WeakPolarHBondContact O-CD2 3.46Å; D417-Y421 WeakPolarHBondContact O-CE2 3.44Å
418P97.2Very high95.5Very high43 Ų4355.7 Ų55.728%0.27930%0.3SS..Hα-helixtrans-59.2-29.5172.5-2029.1000113.7K231 A235 F416 F420 Y421 A422K231-P418 HydrophobicContact CB-CG 4.48Å; A235-P418 WeakPolarHBondContact CB-O 3.49Å; F416-P418 HydrophobicContact CD1-CG 4.19Å; F416-P418 HydrophobicContact CE1-CB 4.47Å; F416-P418 HydrophobicContact CE1-CG 3.77Å; P418-F420 VanDerWaalsContact C-N 3.33Å; P418-F420 PolarHBondContact O-N 3.19Å; P418-Y421 PolarHBondContact O-N 3.08Å; P418-Y421 VanDerWaalsContact O-N 3.16Å; P418-A422 PolarHBondContact O-N 2.65Å
419Q97.9Very high95.9Very high98 Ų9857.1 Ų57.146%0.45831%0.308SS..Hα-helixtrans-64.8-38.7-174.8-176.661.51900111.2D417 Y421 A422 E423D417-Q419 PolarHBondContact O-N 2.84Å; D417-Q419 WeakPolarHBondContact OD1-CB 3.45Å; D417-Q419 PolarHBondContact OD1-N 2.77Å; Q419-Y421 PolarHBondContact O-N 3.47Å; Q419-Y421 VanDerWaalsContact O-N 3.16Å; Q419-A422 WeakPolarHBondContact O-CB 3.29Å; Q419-A422 PolarHBondContact O-N 3.48Å; Q419-E423 HydrophobicContact CG-CG 4.26Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.23Å; Q419-E423 PolarHBondContact NE2-OE1 3.19Å; Q419-E423 WeakPolarHBondContact O-CG 3.24Å; Q419-E423 PolarHBondContact O-N 3.39Å
420F98Very high96.2Very high31 Ų3154.2 Ų54.214%0.13629%0.288CS..Hα-helixtrans-47.8-43.6172.3172.8-100.1000112.9N336 T339 V341 Q376 D417 P418 E423 L424N336-F420 HydrophobicContact CB-CE2 4.3Å; T339-F420 HydrophobicContact CG2-CZ 4.04Å; V341-F420 HydrophobicContact CG1-CE1 3.54Å; V341-F420 HydrophobicContact CG1-CZ 4.13Å; Q376-F420 HydrophobicContact CB-CD1 3.83Å; Q376-F420 HydrophobicContact CB-CE1 3.32Å; Q376-F420 HydrophobicContact CB-CZ 3.81Å; Q376-F420 HydrophobicContact CG-CD1 3.92Å; Q376-F420 HydrophobicContact CG-CD2 4.49Å; Q376-F420 HydrophobicContact CG-CE1 3.75Å; Q376-F420 HydrophobicContact CG-CE2 4.34Å; Q376-F420 HydrophobicContact CG-CG 4.29Å; Q376-F420 HydrophobicContact CG-CZ 3.98Å; D417-F420 PolarHBondContact OD2-N 3.31Å; P418-F420 VanDerWaalsContact C-N 3.33Å; P418-F420 PolarHBondContact O-N 3.19Å; F420-E423 PolarHBondContact O-N 3.31Å; F420-L424 HydrophobicContact CE1-CD2 4.46Å; F420-L424 HydrophobicContact CZ-CD2 4.34Å; F420-L424 PolarHBondContact O-N 2.78Å
421Y98.5Very high96.3Very high0 Ų056.2 Ų56.20%029%0.288CS..Hα-helixtrans-74-34.8-179.9-56.5-83.2000112.9R224 A232 V341 Q376 F378 F416 D417 P418 Q419 E423 L424 S427R224-Y421 PolarHBondContact NE-OH 2.92Å; R224-Y421 VanDerWaalsContact NE-OH 3.14Å; A232-Y421 HydrophobicContact CB-CD1 3.75Å; A232-Y421 HydrophobicContact CB-CD2 3.6Å; A232-Y421 HydrophobicContact CB-CE1 3.8Å; A232-Y421 HydrophobicContact CB-CE2 3.64Å; A232-Y421 HydrophobicContact CB-CG 3.63Å; V341-Y421 HydrophobicContact CB-CD1 4.36Å; V341-Y421 HydrophobicContact CB-CE1 4.09Å; V341-Y421 HydrophobicContact CG1-CD1 4.25Å; V341-Y421 HydrophobicContact CG1-CE1 4.18Å; V341-Y421 HydrophobicContact CG2-CD1 4.23Å; V341-Y421 HydrophobicContact CG2-CE1 4.34Å; Q376-Y421 WeakPolarHBondContact O-CE1 3.03Å; Q376-Y421 PolarHBondContact O-OH 3.14Å; F378-Y421 HydrophobicContact CD1-CE1 4.27Å; F378-Y421 HydrophobicContact CE1-CD1 4.03Å; F378-Y421 AromaticContact CE1-CE1 3.5Å; F378-Y421 HydrophobicContact CE1-CE1 3.5Å; F378-Y421 HydrophobicContact CZ-CD1 4.42Å; F378-Y421 HydrophobicContact CZ-CE1 4.29Å; F416-Y421 HydrophobicContact CD2-CE2 4.35Å; F416-Y421 AromaticContact CE2-CE2 3.48Å; F416-Y421 HydrophobicContact CE2-CE2 3.48Å; F416-Y421 VanDerWaalsContact CE2-CE2 3.48Å; F416-Y421 AromaticContact CE2-CZ 3.92Å; F416-Y421 HydrophobicContact CZ-CD2 4.4Å; F416-Y421 AromaticContact CZ-CE2 3.75Å; F416-Y421 HydrophobicContact CZ-CE2 3.75Å; D417-Y421 WeakPolarHBondContact O-CD2 3.46Å; D417-Y421 WeakPolarHBondContact O-CE2 3.44Å; P418-Y421 PolarHBondContact O-N 3.08Å; P418-Y421 VanDerWaalsContact O-N 3.16Å; Q419-Y421 PolarHBondContact O-N 3.47Å; Q419-Y421 VanDerWaalsContact O-N 3.16Å; Y421-E423 PolarHBondContact O-N 2.95Å; Y421-L424 PolarHBondContact O-N 2.87Å; Y421-S427 WeakPolarHBondContact O-CB 3.4Å; Y421-S427 PolarHBondContact O-OG 2.87Å
422A98.3Very high96.4Very high26 Ų2649.7 Ų49.722%0.21527%0.268CS..Hα-helixtrans-66.2-23.817300000112.6A235 P418 Q419 K428A235-A422 HydrophobicContact CB-CB 4.1Å; A235-A422 VanDerWaalsContact O-CA 3.23Å; A235-A422 WeakPolarHBondContact O-CA 3.41Å; P418-A422 PolarHBondContact O-N 2.65Å; Q419-A422 WeakPolarHBondContact O-CB 3.29Å; Q419-A422 PolarHBondContact O-N 3.48Å; A422-K428 WeakPolarHBondContact O-CE 3.32Å
423E97.9Very high96.5Very high69 Ų6950.3 Ų50.332%0.32227%0.271SS..THydrogen-bonded Turntrans-89.5-8.7-178.7-69.3-175.3174.900114.8H337 Q419 F420 Y421H337-E423 PolarHBondContact ND1-O 3.41Å; Q419-E423 HydrophobicContact CG-CG 4.26Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.23Å; Q419-E423 PolarHBondContact NE2-OE1 3.19Å; Q419-E423 WeakPolarHBondContact O-CG 3.24Å; Q419-E423 PolarHBondContact O-N 3.39Å; F420-E423 PolarHBondContact O-N 3.31Å; Y421-E423 PolarHBondContact O-N 2.95Å
424L97.6Very high96.7Very high10 Ų1051.7 Ų51.75%0.05228%0.279CS..SBendtrans-57144.2173.6-58.5171.3000110.7L236 I241 H337 V341 F420 Y421 C426 S427 K428L236-L424 HydrophobicContact CD2-CD1 4.04Å; I241-L424 HydrophobicContact CD1-CD1 4.16Å; H337-L424 CarbonylContact O-C 3.48Å; H337-L424 WeakPolarHBondContact O-CA 3.16Å; V341-L424 HydrophobicContact CG1-CD1 3.83Å; V341-L424 HydrophobicContact CG1-CD2 4.12Å; V341-L424 HydrophobicContact CG2-CD1 3.95Å; F420-L424 HydrophobicContact CE1-CD2 4.46Å; F420-L424 HydrophobicContact CZ-CD2 4.34Å; F420-L424 PolarHBondContact O-N 2.78Å; Y421-L424 PolarHBondContact O-N 2.87Å; L424-C426 VanDerWaalsContact C-N 3.33Å; L424-C426 PolarHBondContact O-N 3.22Å; L424-S427 VanDerWaalsContact O-CB 3.3Å; L424-S427 WeakPolarHBondContact O-CB 3.14Å; L424-S427 PolarHBondContact O-N 2.87Å; L424-K428 PolarHBondContact O-N 3.25Å
425H96.7Very high96.9Very high29 Ų2947.1 Ų47.113%0.13425%0.245CC..Hα-helixtrans-54.5-48.5-173.4177.986.1000112.4Y329 H337 S427 K428 N429Y329-H425 WeakPolarHBondContact CB-CD2 3.44Å; Y329-H425 HydrophobicContact CD1-CB 3.3Å; Y329-H425 AromaticContact CD1-CD2 3.94Å; Y329-H425 AromaticContact CD1-CG 3.5Å; Y329-H425 VanDerWaalsContact CD1-CG 3.5Å; Y329-H425 HydrophobicContact CD2-CB 4.37Å; Y329-H425 AromaticContact CD2-CD2 3.77Å; Y329-H425 AromaticContact CD2-CE1 3.64Å; Y329-H425 AromaticContact CD2-CG 3.65Å; Y329-H425 AromaticContact CD2-ND1 3.57Å; Y329-H425 AromaticContact CD2-NE2 3.78Å; Y329-H425 HydrophobicContact CE1-CB 3.43Å; Y329-H425 VanDerWaalsContact CE1-CB 3.43Å; Y329-H425 AromaticContact CE1-CG 3.77Å; Y329-H425 AromaticContact CE2-CE1 3.91Å; Y329-H425 AromaticContact CE2-CG 3.96Å; Y329-H425 AromaticContact CE2-ND1 3.56Å; Y329-H425 HydrophobicContact CG-CB 3.77Å; Y329-H425 AromaticContact CG-CD2 3.43Å; Y329-H425 VanDerWaalsContact CG-CD2 3.43Å; Y329-H425 AromaticContact CG-CG 3.38Å; Y329-H425 AromaticContact CG-ND1 3.83Å; Y329-H425 AromaticContact CG-NE2 3.91Å; Y329-H425 AromaticContact CZ-CG 3.99Å; Y329-H425 AromaticContact CZ-ND1 3.78Å; H337-H425 PolarHBondContact O-N 3.35Å; H425-S427 VanDerWaalsContact C-N 3.33Å; H425-S427 PolarHBondContact O-N 3.1Å; H425-K428 PolarHBondContact O-N 3Å; H425-N429 WeakPolarHBondContact O-CB 3.39Å; H425-N429 PolarHBondContact O-N 3.11Å; H425-N429 PolarHBondContact O-ND2 3.33Å
426C96.4Very high97.2Very high20 Ų2044.5 Ų44.514%0.13523%0.227CC..Hα-helixtrans-73.1-23.7-179.3-59.60000112.6A239 C325 L424 K428 N429 H430A239-C426 VanDerWaalsContact CB-O 3.28Å; A239-C426 WeakPolarHBondContact CB-O 3.31Å; C325-C426 HydrophobicContact CB-CB 3.88Å; C325-C426 WeakPolarHBondContact CB-SG 3.36Å; C325-C426 VanDerWaalsContact SG-CA 3.53Å; C325-C426 WeakPolarHBondContact SG-CB 3.41Å; C325-C426 CovalentContact SG-SG 2.05Å; C325-C426 PolarHBondContact SG-SG 2.89Å; L424-C426 VanDerWaalsContact C-N 3.33Å; L424-C426 PolarHBondContact O-N 3.22Å; C426-K428 PolarHBondContact O-N 3.29Å; C426-N429 CarbonylContact O-C 3.46Å; C426-N429 PolarHBondContact O-N 2.89Å; C426-H430 VanDerWaalsContact O-CB 3.3Å; C426-H430 WeakPolarHBondContact O-CB 3.39Å; C426-H430 PolarHBondContact O-N 2.81Å; C426-H430 PolarHBondContact O-ND1 3.04Å
427S97.6Very high97.2Very high4 Ų446.5 Ų46.53%0.02824%0.238CC..Hα-helixtrans-61.5-35.3170.8-56.60000111.7L236 Y421 L424 H425 H430L236-S427 WeakPolarHBondContact CD2-OG 3.2Å; Y421-S427 WeakPolarHBondContact O-CB 3.4Å; Y421-S427 PolarHBondContact O-OG 2.87Å; L424-S427 VanDerWaalsContact O-CB 3.3Å; L424-S427 WeakPolarHBondContact O-CB 3.14Å; L424-S427 PolarHBondContact O-N 2.87Å; H425-S427 VanDerWaalsContact C-N 3.33Å; H425-S427 PolarHBondContact O-N 3.1Å; S427-H430 PolarHBondContact O-CE1 2.83Å; S427-H430 PolarHBondContact O-ND1 3.45Å; S427-H430 VanDerWaalsContact O-ND1 3.1Å
428K97.1Very high97.2Very high123 Ų12344.4 Ų44.454%0.53523%0.226SC..Hα-helixtrans-90.4-27.9177-67.4176.7172.6170.10113.7A422 L424 H425 C426A422-K428 WeakPolarHBondContact O-CE 3.32Å; L424-K428 PolarHBondContact O-N 3.25Å; H425-K428 PolarHBondContact O-N 3Å; C426-K428 PolarHBondContact O-N 3.29Å
429N96.7Very high97.2Very high65 Ų6544.5 Ų44.535%0.34822%0.222SC..SBendtrans-125.862.4-169.7-58.4-80.6000112K326 H425 C426K326-N429 WeakPolarHBondContact CB-O 3.4Å; K326-N429 PolarHBondContact N-O 2.7Å; H425-N429 WeakPolarHBondContact O-CB 3.39Å; H425-N429 PolarHBondContact O-N 3.11Å; H425-N429 PolarHBondContact O-ND2 3.33Å; C426-N429 CarbonylContact O-C 3.46Å; C426-N429 PolarHBondContact O-N 2.89Å
430H97.2Very high97.2Very high21 Ų2140.1 Ų40.110%0.09720%0.202CC..BIsolated β-bridgetrans-121166.3173.161.6-85.5000112.2N237 A239 A324 K326 C426 S427N237-H430 PolarHBondContact O-CE1 2.88Å; N237-H430 PolarHBondContact O-NE2 2.95Å; A239-H430 HydrophobicContact CB-CB 4.19Å; A324-H430 CarbonylContact O-C 3.53Å; A324-H430 WeakPolarHBondContact O-CA 3.19Å; A324-H430 WeakPolarHBondContact O-CB 3.39Å; K326-H430 WeakPolarHBondContact CD-O 3.42Å; K326-H430 WeakPolarHBondContact CE-O 3.04Å; K326-H430 PolarHBondContact NZ-O 2.75Å; C426-H430 VanDerWaalsContact O-CB 3.3Å; C426-H430 WeakPolarHBondContact O-CB 3.39Å; C426-H430 PolarHBondContact O-N 2.81Å; C426-H430 PolarHBondContact O-ND1 3.04Å; S427-H430 PolarHBondContact O-CE1 2.83Å; S427-H430 PolarHBondContact O-ND1 3.45Å; S427-H430 VanDerWaalsContact O-ND1 3.1Å
431I94.1Very high97.1Very high83 Ų8340.9 Ų40.943%0.42621%0.208SC..  trans-74.60173.8-60.3-179.3000110.3P317 L320 G323 A324 K326P317-I431 HydrophobicContact CB-CD1 3.88Å; P317-I431 WeakPolarHBondContact O-CD1 3.3Å; L320-I431 HydrophobicContact CD2-CD1 4.29Å; L320-I431 HydrophobicContact CD2-CG2 4.49Å; G323-I431 PolarHBondContact N-O 3.49Å; A324-I431 HydrophobicContact CB-CD1 4.26Å; A324-I431 PolarHBondContact O-N 3.25Å; K326-I431 HydrophobicContact CG-CG1 4.14Å

Retrieved 431 of 431 residues in 228.1 ms (Link to these results)

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