A0A096MUE7_PAPAN Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A096MUE7, Species PAPAN (Papio anubis, Olive baboon), Gene CHST4, Length 388 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
1M50.7Low70.7Confident238 Ų238134 Ų134100%1.17266%0.662SS**  0114.10-79.9164.186.800109L3M1-L3 PolarHBondContact O-N 2.73Å
2L57Low71.6Confident164 Ų164132.2 Ų132.286%0.85965%0.647SS**PPolyproline II helixtrans-70.9116.4177.3-80.9151.8000109
3L59.8Low72.5Confident75 Ų75129.2 Ų129.239%0.39364%0.635SS.*PPolyproline II helixtrans-52.6132174-97.186.4000110.2M1 K5 M7 K8 L11M1-L3 PolarHBondContact O-N 2.73Å; L3-K5 PolarHBondContact O-N 3.08Å; L3-M7 HydrophobicContact CB-CE 4.24Å; L3-M7 HydrophobicContact CD1-CE 4.42Å; L3-M7 HydrophobicContact CD2-CB 4.4Å; L3-M7 HydrophobicContact CD2-CE 3.25Å; L3-M7 HydrophobicContact CD2-CG 4.16Å; L3-M7 HydrophobicContact CG-CE 3.34Å; L3-K8 HydrophobicContact CB-CG 4.01Å; L3-L11 HydrophobicContact CD2-CD1 3.91Å
4P77.4Confident73.5Confident80 Ų80126.7 Ų126.752%0.51963%0.631SS.*PPolyproline II helixtrans-54.1139177.7-8.310.6000110.5K6 M7 K8P4-K6 PolarHBondContact O-N 3.47Å; P4-M7 HydrophobicContact CG-CB 4.34Å; P4-M7 WeakPolarHBondContact O-CA 3.39Å; P4-M7 WeakPolarHBondContact O-CB 3.43Å; P4-M7 PolarHBondContact O-N 3.19Å; P4-K8 PolarHBondContact O-N 3.44Å
5K70.4Confident74.4Confident193 Ų193127.1 Ų127.184%0.83963%0.628SS**Hα-helixtrans-49.7-36.4-179.4-79-177175.4179.70112.9L3 M7 K8 L9L3-K5 PolarHBondContact O-N 3.08Å; K5-M7 PolarHBondContact O-N 3.42Å; K5-K8 PolarHBondContact O-N 3.34Å; K5-L9 PolarHBondContact O-N 3.12Å; K5-L9 VanDerWaalsContact O-N 3.12Å
6K72.6Confident75.1Confident184 Ų184125.3 Ų125.380%0.862%0.617SS**Hα-helixtrans-63.9-36.3176.2-65.7-172.2177.6-176.20113.1P4 L9 L10P4-K6 PolarHBondContact O-N 3.47Å; K6-L9 PolarHBondContact O-N 2.89Å; K6-L10 PolarHBondContact O-N 2.89Å
7M74.8Confident75.7Confident93 Ų93125.6 Ų125.646%0.45862%0.619SS.*Hα-helixtrans-74.4-34.7179.4-159.6157.881.700111.8L3 P4 K5 L10 L11L3-M7 HydrophobicContact CB-CE 4.24Å; L3-M7 HydrophobicContact CD1-CE 4.42Å; L3-M7 HydrophobicContact CD2-CB 4.4Å; L3-M7 HydrophobicContact CD2-CE 3.25Å; L3-M7 HydrophobicContact CD2-CG 4.16Å; L3-M7 HydrophobicContact CG-CE 3.34Å; P4-M7 HydrophobicContact CG-CB 4.34Å; P4-M7 WeakPolarHBondContact O-CA 3.39Å; P4-M7 WeakPolarHBondContact O-CB 3.43Å; P4-M7 PolarHBondContact O-N 3.19Å; K5-M7 PolarHBondContact O-N 3.42Å; M7-L10 PolarHBondContact O-N 3.04Å; M7-L11 HydrophobicContact CG-CD1 4.48Å; M7-L11 WeakPolarHBondContact O-CB 3.47Å; M7-L11 PolarHBondContact O-N 3.49Å
8K74.8Confident76.3Confident115 Ų115121.3 Ų121.350%0.561%0.606SS.*Hα-helixtrans-65.3-39.8172-66.9-172.9179-173.90112.3L3 P4 K5 F12L3-K8 HydrophobicContact CB-CG 4.01Å; P4-K8 PolarHBondContact O-N 3.44Å; K5-K8 PolarHBondContact O-N 3.34Å; K8-F12 WeakPolarHBondContact O-CB 3.35Å; K8-F12 PolarHBondContact O-N 3.47Å
9L76.8Confident76.8Confident109 Ų109119.5 Ų119.557%0.57160%0.598SS**Hα-helixtrans-65.5-41.3175.6-173.467.9000111.6K5 K6 F12 L13K5-L9 PolarHBondContact O-N 3.12Å; K5-L9 VanDerWaalsContact O-N 3.12Å; K6-L9 PolarHBondContact O-N 2.89Å; L9-F12 PolarHBondContact O-N 3.36Å; L9-L13 HydrophobicContact CG-CD1 4.33Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.29Å
10L81.4Confident77.3Confident116 Ų116117.8 Ų117.861%0.60759%0.59SS**Hα-helixtrans-63.5-44.9177.1-153.189.4000111.6K6 M7 F12 L13 V14K6-L10 PolarHBondContact O-N 2.89Å; M7-L10 PolarHBondContact O-N 3.04Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 3.46Å; L10-L13 PolarHBondContact O-N 3.45Å; L10-V14 VanDerWaalsContact O-CG2 3.31Å; L10-V14 WeakPolarHBondContact O-CG2 3.28Å; L10-V14 PolarHBondContact O-N 3.15Å
11L81.6Confident77.6Confident107 Ų107115 Ų11556%0.5659%0.586SS**Hα-helixtrans-60.5-40.1175.6-94.4148.6000112.2L3 M7 F15L3-L11 HydrophobicContact CD2-CD1 3.91Å; M7-L11 HydrophobicContact CG-CD1 4.48Å; M7-L11 WeakPolarHBondContact O-CB 3.47Å; M7-L11 PolarHBondContact O-N 3.49Å; L11-F15 WeakPolarHBondContact O-CB 3.44Å; L11-F15 PolarHBondContact O-N 3.23Å
12F81.9Confident79.1Confident112 Ų112109 Ų10949%0.49156%0.557SS.*Hα-helixtrans-64.4-44.1176.4-176.5-97.1000112.1K8 L9 L10 F15 Q16K8-F12 WeakPolarHBondContact O-CB 3.35Å; K8-F12 PolarHBondContact O-N 3.47Å; L9-F12 PolarHBondContact O-N 3.36Å; L10-F12 VanDerWaalsContact C-N 3.32Å; L10-F12 PolarHBondContact O-N 3.46Å; F12-F15 PolarHBondContact O-N 3.45Å; F12-Q16 HydrophobicContact CD1-CG 4.38Å; F12-Q16 HydrophobicContact CE1-CG 4.01Å; F12-Q16 HydrophobicContact CZ-CG 4.18Å; F12-Q16 WeakPolarHBondContact O-CG 3.48Å; F12-Q16 PolarHBondContact O-N 2.64Å
13L83.5Confident80.1Confident93 Ų93107.3 Ų107.349%0.48754%0.544SS..Hα-helixtrans-65.4-42.5178-72.8167.3000112.1L9 L10 F15 Q16 M17L9-L13 HydrophobicContact CG-CD1 4.33Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.29Å; L10-L13 PolarHBondContact O-N 3.45Å; L13-F15 VanDerWaalsContact C-N 3.3Å; L13-F15 PolarHBondContact O-N 2.82Å; L13-Q16 PolarHBondContact O-N 3.29Å; L13-M17 WeakPolarHBondContact O-CG 3.16Å; L13-M17 PolarHBondContact O-N 2.8Å
14V86.7Confident81Confident95 Ų95110 Ų11058%0.57655%0.553SS**Hα-helixtrans-62.9-39.7176.1172.60000111L10 M17 A18L10-V14 VanDerWaalsContact O-CG2 3.31Å; L10-V14 WeakPolarHBondContact O-CG2 3.28Å; L10-V14 PolarHBondContact O-N 3.15Å; V14-M17 PolarHBondContact O-N 3.22Å; V14-A18 WeakPolarHBondContact O-CB 3.14Å; V14-A18 PolarHBondContact O-N 2.88Å
15F86.6Confident81.1Confident133 Ų133113 Ų11358%0.58355%0.554SS**Hα-helixtrans-64.5-41.5176.2-174.9-108.3000112.4L11 F12 L13 A18 I19L11-F15 WeakPolarHBondContact O-CB 3.44Å; L11-F15 PolarHBondContact O-N 3.23Å; F12-F15 PolarHBondContact O-N 3.45Å; L13-F15 VanDerWaalsContact C-N 3.3Å; L13-F15 PolarHBondContact O-N 2.82Å; F15-A18 PolarHBondContact O-N 2.86Å; F15-I19 HydrophobicContact CD1-CD1 3.67Å; F15-I19 HydrophobicContact CE1-CD1 3.29Å; F15-I19 HydrophobicContact CE1-CG1 4.36Å; F15-I19 HydrophobicContact CE2-CD1 4.36Å; F15-I19 HydrophobicContact CG-CD1 4.37Å; F15-I19 HydrophobicContact CZ-CD1 3.67Å; F15-I19 HydrophobicContact CZ-CG1 4.38Å; F15-I19 WeakPolarHBondContact O-CG1 3.31Å; F15-I19 PolarHBondContact O-N 2.91Å
16Q85.4Confident81.3Confident97 Ų97109.2 Ų109.245%0.45354%0.541SS..Hα-helixtrans-65.8-39.6175.7-68.9-141.4-32.600112.7F12 L13 A18 I19 L20F12-Q16 HydrophobicContact CD1-CG 4.38Å; F12-Q16 HydrophobicContact CE1-CG 4.01Å; F12-Q16 HydrophobicContact CZ-CG 4.18Å; F12-Q16 WeakPolarHBondContact O-CG 3.48Å; F12-Q16 PolarHBondContact O-N 2.64Å; L13-Q16 PolarHBondContact O-N 3.29Å; Q16-A18 VanDerWaalsContact C-N 3.34Å; Q16-I19 PolarHBondContact O-N 3.06Å; Q16-L20 PolarHBondContact O-N 3.35Å
17M85.3Confident81.1Confident131 Ų131103.9 Ų103.965%0.64552%0.521SS*.Hα-helixtrans-65.9-37.4175.3-69.3-60.6-6700112.1L13 V14 L20 A21L13-M17 WeakPolarHBondContact O-CG 3.16Å; L13-M17 PolarHBondContact O-N 2.8Å; V14-M17 PolarHBondContact O-N 3.22Å; M17-L20 PolarHBondContact O-N 2.8Å; M17-A21 WeakPolarHBondContact O-CB 3.41Å; M17-A21 PolarHBondContact O-N 3.11Å
18A86.9Confident80.6Confident48 Ų48102.3 Ų102.340%0.39752%0.52SS..Hα-helixtrans-65.6-40.9175.300000112V14 F15 Q16 A21 L22V14-A18 WeakPolarHBondContact O-CB 3.14Å; V14-A18 PolarHBondContact O-N 2.88Å; F15-A18 PolarHBondContact O-N 2.86Å; Q16-A18 VanDerWaalsContact C-N 3.34Å; A18-A21 PolarHBondContact O-N 2.95Å; A18-L22 WeakPolarHBondContact O-CB 3.05Å; A18-L22 PolarHBondContact O-N 3Å
19I86.5Confident80Confident87 Ų87101.6 Ų101.645%0.44652%0.518SS..Hα-helixtrans-64-45.1175.3-70.1167.6000111F15 Q16 L22 F23F15-I19 HydrophobicContact CD1-CD1 3.67Å; F15-I19 HydrophobicContact CE1-CD1 3.29Å; F15-I19 HydrophobicContact CE1-CG1 4.36Å; F15-I19 HydrophobicContact CE2-CD1 4.36Å; F15-I19 HydrophobicContact CG-CD1 4.37Å; F15-I19 HydrophobicContact CZ-CD1 3.67Å; F15-I19 HydrophobicContact CZ-CG1 4.38Å; F15-I19 WeakPolarHBondContact O-CG1 3.31Å; F15-I19 PolarHBondContact O-N 2.91Å; Q16-I19 PolarHBondContact O-N 3.06Å; I19-L22 PolarHBondContact O-N 3.18Å; I19-F23 WeakPolarHBondContact O-CB 3.43Å; I19-F23 PolarHBondContact O-N 2.98Å
20L85.1Confident78.8Confident86 Ų86101 Ų10145%0.4552%0.515SS..Hα-helixtrans-60.9-44.9176.4-98.7146.4000111.4Q16 M17 L22 F23 F24Q16-L20 PolarHBondContact O-N 3.35Å; M17-L20 PolarHBondContact O-N 2.8Å; L20-L22 PolarHBondContact O-N 3.31Å; L20-F23 WeakPolarHBondContact O-CB 3.37Å; L20-F23 PolarHBondContact O-N 3.1Å; L20-F24 HydrophobicContact CD2-CD2 4.35Å; L20-F24 HydrophobicContact CD2-CE2 3.75Å; L20-F24 WeakPolarHBondContact O-CD2 3.45Å; L20-F24 PolarHBondContact O-N 2.91Å
21A83.8Confident77.4Confident60 Ų60101.4 Ų101.450%0.49652%0.517SS..Hα-helixtrans-62.6-41.9176.400000112.2M17 A18 F23 F24 Y25M17-A21 WeakPolarHBondContact O-CB 3.41Å; M17-A21 PolarHBondContact O-N 3.11Å; A18-A21 PolarHBondContact O-N 2.95Å; A21-F23 VanDerWaalsContact C-N 3.35Å; A21-F24 PolarHBondContact O-N 2.86Å; A21-Y25 VanDerWaalsContact O-CB 3.26Å; A21-Y25 WeakPolarHBondContact O-CB 3.49Å; A21-Y25 PolarHBondContact O-N 3.12Å
22L81.9Confident75.9Confident110 Ų11099.8 Ų99.858%0.57651%0.514SS*.Hα-helixtrans-63.7-39.2174.1-109.5138.4000112A18 I19 L20 Y25 M26A18-L22 WeakPolarHBondContact O-CB 3.05Å; A18-L22 PolarHBondContact O-N 3Å; I19-L22 PolarHBondContact O-N 3.18Å; L20-L22 PolarHBondContact O-N 3.31Å; L22-Y25 PolarHBondContact O-N 3Å; L22-M26 VanDerWaalsContact O-CB 3.26Å; L22-M26 WeakPolarHBondContact O-CB 3.38Å; L22-M26 WeakPolarHBondContact O-CG 3.32Å; L22-M26 PolarHBondContact O-N 3.07Å
23F79.8Confident74.1Confident129 Ų12998.5 Ų98.557%0.56652%0.519SS*.Hα-helixtrans-63.9-45.2175.9-175.1-97.6000111.5I19 L20 A21 M26 N27I19-F23 WeakPolarHBondContact O-CB 3.43Å; I19-F23 PolarHBondContact O-N 2.98Å; L20-F23 WeakPolarHBondContact O-CB 3.37Å; L20-F23 PolarHBondContact O-N 3.1Å; A21-F23 VanDerWaalsContact C-N 3.35Å; F23-M26 PolarHBondContact O-N 3.43Å; F23-N27 WeakPolarHBondContact O-CB 3.39Å; F23-N27 PolarHBondContact O-N 2.94Å
24F78.4Confident72Confident133 Ų133100.6 Ų100.658%0.58353%0.53SS*.Hα-helixtrans-67.1-36.6175-80.1-69.5000112.9L20 A21 S28L20-F24 HydrophobicContact CD2-CD2 4.35Å; L20-F24 HydrophobicContact CD2-CE2 3.75Å; L20-F24 WeakPolarHBondContact O-CD2 3.45Å; L20-F24 PolarHBondContact O-N 2.91Å; A21-F24 PolarHBondContact O-N 2.86Å; F24-S28 WeakPolarHBondContact O-CB 3.48Å; F24-S28 PolarHBondContact O-N 3.17Å; F24-S28 PolarHBondContact O-OG 2.8Å
25Y80.1Confident69.6Low141 Ų141100.8 Ų100.855%0.55354%0.536SS*.Hα-helixtrans-66.9-44.2175.7-176.7-106.4000111.8A21 L22 S28 H29A21-Y25 VanDerWaalsContact O-CB 3.26Å; A21-Y25 WeakPolarHBondContact O-CB 3.49Å; A21-Y25 PolarHBondContact O-N 3.12Å; L22-Y25 PolarHBondContact O-N 3Å; Y25-S28 WeakPolarHBondContact CA-OG 3.46Å; Y25-S28 PolarHBondContact O-N 3.45Å; Y25-S28 PolarHBondContact O-OG 2.8Å; Y25-H29 AromaticContact CE1-CD2 3.71Å; Y25-H29 AromaticContact CE2-CD2 3.57Å; Y25-H29 AromaticContact CE2-NE2 3.67Å; Y25-H29 AromaticContact CZ-CD2 3.33Å; Y25-H29 AromaticContact CZ-NE2 3.39Å; Y25-H29 WeakPolarHBondContact O-CB 3.3Å; Y25-H29 PolarHBondContact O-N 3.14Å; Y25-H29 PolarHBondContact OH-NE2 2.95Å
26M72.9Confident67.4Low114 Ų114102 Ų10256%0.56255%0.545SS*.Hα-helixtrans-64.5-40.8174.7-72.6-81.3-66.700112L22 F23 N30L22-M26 VanDerWaalsContact O-CB 3.26Å; L22-M26 WeakPolarHBondContact O-CB 3.38Å; L22-M26 WeakPolarHBondContact O-CG 3.32Å; L22-M26 PolarHBondContact O-N 3.07Å; F23-M26 PolarHBondContact O-N 3.43Å; M26-N30 WeakPolarHBondContact O-CB 3.47Å; M26-N30 PolarHBondContact O-N 3.21Å
27N68.8Low65Low72 Ų72106.5 Ų106.539%0.38556%0.563SS.*Hα-helixtrans-68.8-40.3176.3-108.1-1000112.4F23 H29 N30 I31F23-N27 WeakPolarHBondContact O-CB 3.39Å; F23-N27 PolarHBondContact O-N 2.94Å; N27-H29 VanDerWaalsContact C-N 3.35Å; N27-N30 PolarHBondContact O-N 2.97Å; N27-I31 WeakPolarHBondContact O-CB 3.2Å; N27-I31 WeakPolarHBondContact O-CD1 3.4Å; N27-I31 WeakPolarHBondContact O-CG1 3.23Å; N27-I31 PolarHBondContact O-N 3.46Å
28S65.3Low62.8Low61 Ų61109.2 Ų109.243%0.42757%0.574SS.*Hα-helixtrans-67.6-34.2176.854.80000112.4F24 Y25 S32F24-S28 WeakPolarHBondContact O-CB 3.48Å; F24-S28 PolarHBondContact O-N 3.17Å; F24-S28 PolarHBondContact O-OG 2.8Å; Y25-S28 WeakPolarHBondContact CA-OG 3.46Å; Y25-S28 PolarHBondContact O-N 3.45Å; Y25-S28 PolarHBondContact O-OG 2.8Å; S28-S32 PolarHBondContact O-N 3.11Å; S28-S32 PolarHBondContact O-OG 3.46Å
29H60.8Low60.5Low99 Ų99114.7 Ų114.746%0.45859%0.592SS.*Hα-helixtrans-70.3-35170.8-98.3-64.4000113.7Y25 N27 S32 S33Y25-H29 AromaticContact CE1-CD2 3.71Å; Y25-H29 AromaticContact CE2-CD2 3.57Å; Y25-H29 AromaticContact CE2-NE2 3.67Å; Y25-H29 AromaticContact CZ-CD2 3.33Å; Y25-H29 AromaticContact CZ-NE2 3.39Å; Y25-H29 WeakPolarHBondContact O-CB 3.3Å; Y25-H29 PolarHBondContact O-N 3.14Å; Y25-H29 PolarHBondContact OH-NE2 2.95Å; N27-H29 VanDerWaalsContact C-N 3.35Å; H29-S32 WeakPolarHBondContact CA-OG 3.34Å; H29-S32 PolarHBondContact O-OG 2.85Å; H29-S33 PolarHBondContact O-N 2.77Å; H29-S33 PolarHBondContact O-OG 3Å
30N52.6Low58.4Low96 Ų96115.8 Ų115.851%0.51360%0.604SS.*Hα-helixtrans-71.1-31.1173-94.1-27.7000113.1M26 N27 S33 L34M26-N30 WeakPolarHBondContact O-CB 3.47Å; M26-N30 PolarHBondContact O-N 3.21Å; N27-N30 PolarHBondContact O-N 2.97Å; N30-S33 PolarHBondContact O-OG 2.87Å; N30-S33 VanDerWaalsContact O-OG 3.09Å; N30-L34 PolarHBondContact O-N 3.38Å
31I51.3Low56.9Low126 Ų126121 Ų12165%0.64662%0.624SS**Hα-helixtrans-75.1-34175.8-68.3163.4000110.8N27 L34N27-I31 WeakPolarHBondContact O-CB 3.2Å; N27-I31 WeakPolarHBondContact O-CD1 3.4Å; N27-I31 WeakPolarHBondContact O-CG1 3.23Å; N27-I31 PolarHBondContact O-N 3.46Å; I31-L34 PolarHBondContact O-N 2.96Å
32S49.5Very low56Low73 Ų73128.6 Ų128.651%0.5164%0.639SS.*Hα-helixtrans-79.4-21.4176.243.40000113.8S28 H29 L34S28-S32 PolarHBondContact O-N 3.11Å; S28-S32 PolarHBondContact O-OG 3.46Å; H29-S32 WeakPolarHBondContact CA-OG 3.34Å; H29-S32 PolarHBondContact O-OG 2.85Å; S32-L34 VanDerWaalsContact C-N 3.32Å
33S44.8Very low56Low85 Ų85129 Ų12959%0.59464%0.64SS**Hα-helixtrans-80-12.4168.470.60000113.6H29 N30 S35H29-S33 PolarHBondContact O-N 2.77Å; H29-S33 PolarHBondContact O-OG 3Å; N30-S33 PolarHBondContact O-OG 2.87Å; N30-S33 VanDerWaalsContact O-OG 3.09Å; S33-S35 VanDerWaalsContact C-N 3.27Å; S33-S35 PolarHBondContact O-N 2.88Å
34L39.3Very low56.6Low137 Ų137124.5 Ų124.572%0.71762%0.62SS**THydrogen-bonded Turntrans-90.925.4171.7-136.893.5000113.2N30 I31 S32 M36N30-L34 PolarHBondContact O-N 3.38Å; I31-L34 PolarHBondContact O-N 2.96Å; S32-L34 VanDerWaalsContact C-N 3.32Å; L34-M36 PolarHBondContact O-N 3.44Å
35S37.5Very low57.6Low99 Ų99119.2 Ų119.269%0.69260%0.599SS**  trans-66.387.4157-177.20000107S33 K37S33-S35 VanDerWaalsContact C-N 3.27Å; S33-S35 PolarHBondContact O-N 2.88Å; S35-K37 PolarHBondContact O-N 3.31Å
36M38.6Very low58.5Low159 Ų159112.7 Ų112.778%0.78357%0.574SS**  trans-47.5113.5163.9-73.9-165.673.600106.4L34 E38L34-M36 PolarHBondContact O-N 3.44Å; M36-E38 PolarHBondContact O-N 2.91Å
37K35.7Very low59.7Low190 Ų190107.3 Ų107.383%0.82655%0.547SS*.  trans-51.9112.3158.5-80.9177.1173.8177.50104.7S35 Q39S35-K37 PolarHBondContact O-N 3.31Å; K37-Q39 PolarHBondContact O-N 2.86Å
38E38.8Very low61.1Low188 Ų188103.9 Ų103.988%0.87953%0.529SS*.  trans-53.5101.2164.3-84.4-177.6150.600105.5M36M36-E38 PolarHBondContact O-N 2.91Å
39Q38.3Very low62.7Low163 Ų163101 Ų10176%0.76251%0.508SS*.  trans-52.3127.4162.1-74.4-82.8-11.300104.7K37 K41K37-Q39 PolarHBondContact O-N 2.86Å; Q39-K41 PolarHBondContact O-N 3.38Å
40P44Very low64.5Low110 Ų11096.3 Ų96.371%0.71449%0.487SS*.  trans-50.9118.4178.819.5-30000107.2R42P40-R42 PolarHBondContact O-N 3.07Å
41K53.4Low66.6Low197 Ų19791.9 Ų91.986%0.85746%0.463SS*.  trans-52.3105.3-175-158.9178.9-172.6-177.40106.6Q39 M43Q39-K41 PolarHBondContact O-N 3.38Å; K41-M43 PolarHBondContact O-N 3.25Å
42R63.7Low68.8Low218 Ų21886.1 Ų86.182%0.82344%0.435SS*.  trans-61.4108.1-172.3-143178.9-172.1-175.70.4105.8P40 H44P40-R42 PolarHBondContact O-N 3.07Å; R42-H44 PolarHBondContact O-N 3.5Å
43M82.2Confident71Confident120 Ų12083.1 Ų83.159%0.59141%0.412SS*.PPolyproline II helixtrans-65.5122.2-174.4-171.9167.976.900108.2K41 V45 N199K41-M43 PolarHBondContact O-N 3.25Å; M43-V45 PolarHBondContact O-N 3.48Å; M43-N199 HydrophobicContact CE-CB 3.82Å
44H93.6Very high73.4Confident33 Ų3380.9 Ų80.915%0.15339%0.391CS..PPolyproline II helixtrans-56.3140.4179.6-61.9-75.6000110.5R42 H46 H171 Y173 S174 V176 N199R42-H44 PolarHBondContact O-N 3.5Å; H44-H46 PolarHBondContact O-CE1 3.37Å; H44-H46 PolarHBondContact O-ND1 2.88Å; H44-H46 VanDerWaalsContact O-ND1 3.09Å; H44-H171 PolarHBondContact CE1-O 2.95Å; H44-H171 AromaticContact NE2-ND1 3.75Å; H44-Y173 PolarHBondContact CE1-O 2.92Å; H44-Y173 PolarHBondContact ND1-O 3.16Å; H44-S174 WeakPolarHBondContact CA-O 3.44Å; H44-V176 HydrophobicContact CB-CG2 4.28Å; H44-N199 VanDerWaalsContact O-CB 3.32Å; H44-N199 WeakPolarHBondContact O-CB 3.24Å
45V98Very high76.1Confident23 Ų2374.4 Ų74.414%0.13936%0.357CS..EExtended strand (participates in β ladder)trans-81.3125163.3-178.90000107.3M43 V47 S174 H175 V176 V296M43-V45 PolarHBondContact O-N 3.48Å; V45-V47 HydrophobicContact CG1-CG2 4.21Å; V45-S174 PolarHBondContact N-O 3.01Å; V45-H175 VanDerWaalsContact CB-CD2 3.49Å; V45-H175 WeakPolarHBondContact CB-CD2 3.42Å; V45-H175 CarbonylContact O-C 3.33Å; V45-H175 VanDerWaalsContact O-CA 3.3Å; V45-H175 WeakPolarHBondContact O-CA 3.43Å; V45-V176 PolarHBondContact O-N 3.32Å; V45-V296 HydrophobicContact CG1-CB 4.45Å
46H98.6Very high78.8Confident4 Ų470.4 Ų70.42%0.01933%0.331CS..EExtended strand (participates in β ladder)trans-103.7129.4-179.4-52.984.4000108.2H44 F104 V176 N199 L200 H201H44-H46 PolarHBondContact O-CE1 3.37Å; H44-H46 PolarHBondContact O-ND1 2.88Å; H44-H46 VanDerWaalsContact O-ND1 3.09Å; H46-F104 HydrophobicContact CB-CD1 3.73Å; H46-F104 HydrophobicContact CB-CE1 3.9Å; H46-F104 HydrophobicContact CB-CG 4.2Å; H46-F104 AromaticContact CD2-CD1 3.75Å; H46-F104 AromaticContact CD2-CG 3.93Å; H46-F104 PolarHBondContact CD2-O 3.13Å; H46-F104 VanDerWaalsContact CD2-O 3.25Å; H46-F104 PolarHBondContact NE2-O 3.25Å; H46-V176 CarbonylContact C-O 3.53Å; H46-V176 WeakPolarHBondContact CA-O 3.27Å; H46-N199 PolarHBondContact N-O 2.93Å; H46-N199 PolarHBondContact ND1-N 3.49Å; H46-N199 VanDerWaalsContact ND1-N 3.13Å; H46-L200 HydrophobicContact CB-CD1 4.15Å; H46-L200 CarbonylContact O-C 3.58Å; H46-L200 WeakPolarHBondContact O-CA 3.43Å; H46-H201 PolarHBondContact O-N 2.89Å
47V98.8Very high81.5Confident0 Ų062.9 Ų62.90%029%0.294CS..EExtended strand (participates in β ladder)trans-124.5123.7-179.6-171.80000109.8V45 F64 V176 V177 L178 H201 V203 V296V45-V47 HydrophobicContact CG1-CG2 4.21Å; V47-F64 HydrophobicContact CG1-CZ 4.48Å; V47-V176 PolarHBondContact N-O 3.38Å; V47-V177 HydrophobicContact CB-CB 4.35Å; V47-V177 HydrophobicContact CB-CG1 4.1Å; V47-V177 HydrophobicContact CB-CG2 3.92Å; V47-V177 HydrophobicContact CG1-CG1 4.37Å; V47-V177 HydrophobicContact CG2-CG2 4.1Å; V47-V177 CarbonylContact O-C 3.6Å; V47-V177 WeakPolarHBondContact O-CA 3.41Å; V47-L178 PolarHBondContact O-N 2.83Å; V47-H201 CarbonylContact C-O 3.6Å; V47-H201 VanDerWaalsContact CA-O 3.31Å; V47-H201 WeakPolarHBondContact CA-O 3.43Å; V47-V203 HydrophobicContact CG1-CG2 4.01Å; V47-V296 HydrophobicContact CG1-CG1 4.09Å; V47-V296 HydrophobicContact CG2-CB 3.97Å; V47-V296 HydrophobicContact CG2-CG1 3.72Å; V47-V296 HydrophobicContact CG2-CG2 4.41Å
48L98.7Very high84.3Confident0 Ų055 Ų550%026%0.263CS..EExtended strand (participates in β ladder)trans-100.2109.5169.3-173.567.4000109.4L50 F104 L178 E180 F183 L189 L200 H201 I202 V203L48-L50 HydrophobicContact CD2-CB 4.33Å; L48-L50 HydrophobicContact CG-CB 4.28Å; L48-L50 PolarHBondContact O-N 3.23Å; L48-L50 VanDerWaalsContact O-N 3.11Å; L48-F104 HydrophobicContact CB-CZ 4.04Å; L48-F104 HydrophobicContact CD1-CZ 4.24Å; L48-L178 CarbonylContact C-O 3.57Å; L48-L178 WeakPolarHBondContact CA-O 3.42Å; L48-L178 HydrophobicContact CD1-CB 4.38Å; L48-E180 HydrophobicContact CD1-CB 3.87Å; L48-E180 HydrophobicContact CD1-CG 4.03Å; L48-F183 HydrophobicContact CD1-CE2 4.29Å; L48-F183 HydrophobicContact CD2-CD2 4.3Å; L48-F183 HydrophobicContact CD2-CE2 4.19Å; L48-L189 HydrophobicContact CD2-CD2 3.46Å; L48-L189 VanDerWaalsContact CD2-CD2 3.46Å; L48-L200 HydrophobicContact CB-CD1 4.07Å; L48-H201 PolarHBondContact N-O 3.01Å; L48-I202 HydrophobicContact CB-CG1 4.33Å; L48-I202 WeakPolarHBondContact O-CA 3Å; L48-V203 PolarHBondContact O-N 2.87Å
49V98.6Very high87Confident0 Ų046.9 Ų46.90%023%0.225CC..EExtended strand (participates in β ladder)trans-79.690.6166.1179.50000107.5V60 F64 V177 L178 K179 E180 V203V49-V60 HydrophobicContact CG1-CB 4.1Å; V49-V60 HydrophobicContact CG1-CG1 3.64Å; V49-V60 HydrophobicContact CG2-CG1 4.32Å; V49-F64 HydrophobicContact CG2-CD2 3.78Å; V49-F64 HydrophobicContact CG2-CE2 3.81Å; V49-V177 HydrophobicContact CG2-CG1 4.02Å; V49-L178 PolarHBondContact N-O 3.1Å; V49-K179 HydrophobicContact CB-CB 4.16Å; V49-K179 HydrophobicContact CB-CG 4.35Å; V49-K179 HydrophobicContact CG1-CG 4.23Å; V49-E180 PolarHBondContact O-N 3.43Å; V49-V203 CarbonylContact C-O 3.57Å; V49-V203 WeakPolarHBondContact CA-O 3.39Å
50L98.1Very high89.8Confident1 Ų139.2 Ų39.21%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-87.3129.8-176.2174.165.4000110.5L48 F183 L189 I202 V203 H204 L205 I258L48-L50 HydrophobicContact CD2-CB 4.33Å; L48-L50 HydrophobicContact CG-CB 4.28Å; L48-L50 PolarHBondContact O-N 3.23Å; L48-L50 VanDerWaalsContact O-N 3.11Å; L50-F183 HydrophobicContact CD1-CB 3.57Å; L50-F183 HydrophobicContact CD1-CD2 4.27Å; L50-F183 HydrophobicContact CD1-CG 4.31Å; L50-L189 HydrophobicContact CD2-CD1 3.59Å; L50-I202 HydrophobicContact CB-CG2 3.86Å; L50-I202 HydrophobicContact CD2-CG2 3.98Å; L50-V203 PolarHBondContact N-O 2.62Å; L50-H204 HydrophobicContact CB-CB 4.5Å; L50-H204 HydrophobicContact CD2-CB 4.35Å; L50-H204 CarbonylContact O-C 3.59Å; L50-H204 WeakPolarHBondContact O-CA 3.3Å; L50-H204 PolarHBondContact O-CD2 2.98Å; L50-L205 PolarHBondContact O-N 3.12Å; L50-I258 HydrophobicContact CD2-CD1 4.32Å; L50-I258 HydrophobicContact CD2-CG2 4.08Å
51S97.6Very high92.3Very high3 Ų334 Ų342%0.02116%0.155CC..  trans-162.5-158.8174.1-157.80000112.7S55 E180 V181 L205S51-S55 WeakPolarHBondContact CB-OG 3.39Å; S51-S55 WeakPolarHBondContact OG-CB 3.08Å; S51-S55 PolarHBondContact OG-OG 3.3Å; S51-E180 PolarHBondContact N-O 2.76Å; S51-V181 VanDerWaalsContact O-CA 3.3Å; S51-V181 WeakPolarHBondContact O-CA 3.5Å; S51-L205 WeakPolarHBondContact CB-O 3.16Å; S51-L205 PolarHBondContact OG-O 3.33Å
52S96.3Very high94.2Very high6 Ų624.8 Ų24.84%0.04212%0.115CC..  trans-123.2167.2168.757.50000110.9S55 I251 H255S52-S55 WeakPolarHBondContact O-CB 3.27Å; S52-S55 PolarHBondContact O-N 3.46Å; S52-S55 PolarHBondContact O-OG 3.48Å; S52-I251 WeakPolarHBondContact OG-CG2 2.94Å; S52-H255 PolarHBondContact OG-NE2 3.4Å
53W96.3Very high95.7Very high10 Ų1014.4 Ų14.44%0.0388%0.076CC..THydrogen-bonded Turntrans-59.6143176.6-62.7-100.3000111.2S55 W81 V181 R182 F184 L223 D226W53-S55 PolarHBondContact O-N 2.95Å; W53-W81 HydrophobicContact CH2-CE3 4.15Å; W53-W81 AromaticContact CH2-CH2 3.54Å; W53-W81 HydrophobicContact CH2-CH2 3.54Å; W53-W81 HydrophobicContact CH2-CZ2 4.34Å; W53-W81 AromaticContact CH2-CZ3 3.41Å; W53-W81 HydrophobicContact CH2-CZ3 3.41Å; W53-W81 VanDerWaalsContact CH2-CZ3 3.41Å; W53-W81 HydrophobicContact CZ2-CE3 4.1Å; W53-W81 HydrophobicContact CZ2-CH2 4.31Å; W53-W81 AromaticContact CZ2-CZ3 3.76Å; W53-W81 HydrophobicContact CZ2-CZ3 3.76Å; W53-W81 HydrophobicContact CZ3-CH2 4.42Å; W53-W81 HydrophobicContact CZ3-CZ3 4.46Å; W53-V181 HydrophobicContact CD2-CB 4.05Å; W53-V181 HydrophobicContact CD2-CG2 3.75Å; W53-V181 VanDerWaalsContact CE2-CG2 3.41Å; W53-V181 HydrophobicContact CE3-CB 4.21Å; W53-V181 HydrophobicContact CE3-CG2 4.32Å; W53-V181 HydrophobicContact CG-CB 4.44Å; W53-V181 HydrophobicContact CG-CG2 4.11Å; W53-V181 HydrophobicContact CH2-CG2 4.23Å; W53-V181 VanDerWaalsContact CH2-O 3.25Å; W53-V181 WeakPolarHBondContact CH2-O 3.4Å; W53-V181 HydrophobicContact CZ2-CB 4.48Å; W53-V181 HydrophobicContact CZ2-CG2 3.72Å; W53-V181 HydrophobicContact CZ3-CB 4.41Å; W53-V181 HydrophobicContact CZ3-CG2 4.48Å; W53-V181 WeakPolarHBondContact CZ3-O 3.34Å; W53-R182 HydrophobicContact CH2-CB 4.47Å; W53-R182 HydrophobicContact CH2-CG 3.59Å; W53-R182 HydrophobicContact CZ2-CG 3.52Å; W53-F184 HydrophobicContact CH2-CE2 4.01Å; W53-F184 HydrophobicContact CH2-CZ 4.06Å; W53-F184 AromaticContact CZ3-CE2 3.9Å; W53-F184 HydrophobicContact CZ3-CE2 3.9Å; W53-F184 AromaticContact CZ3-CZ 3.55Å; W53-F184 HydrophobicContact CZ3-CZ 3.55Å; W53-L223 HydrophobicContact CB-CD1 4.1Å; W53-L223 HydrophobicContact CB-CD2 4.18Å; W53-L223 HydrophobicContact CG-CD2 3.81Å; W53-D226 HydrophobicContact CH2-CB 4.39Å; W53-D226 HydrophobicContact CZ2-CB 3.82Å; W53-D226 WeakPolarHBondContact CZ2-OD1 3.41Å
54R95.2Very high96.4Very high38 Ų388.7 Ų8.714%0.1435%0.048CC..THydrogen-bonded Turntrans6810.9176.8-45.5-53.8-52.2160.67.2115.3G56 R207 V212 S215 R216 L223 A321 F322R54-G56 VanDerWaalsContact C-N 3.27Å; R54-G56 PolarHBondContact O-N 2.91Å; R54-R207 PolarHBondContact O-NH1 3.41Å; R54-V212 HydrophobicContact CB-CG1 4.37Å; R54-S215 VanDerWaalsContact CZ-OG 3.26Å; R54-S215 PolarHBondContact NE-OG 3.19Å; R54-S215 PolarHBondContact NH2-OG 3.37Å; R54-R216 HydrophobicContact CB-CG 4.21Å; R54-R216 HydrophobicContact CG-CG 3.71Å; R54-L223 HydrophobicContact CG-CD1 3.88Å; R54-A321 PolarHBondContact NH1-O 3.32Å; R54-A321 PolarHBondContact NH2-O 2.89Å; R54-F322 VanDerWaalsContact NH1-CD1 3.35Å
55S95.4Very high96.4Very high0 Ų07.1 Ų7.10%04%0.04CC..SBendtrans-76.5-5.2173.5670000115.2S51 S52 W53 S57 R207 Y278S51-S55 WeakPolarHBondContact CB-OG 3.39Å; S51-S55 WeakPolarHBondContact OG-CB 3.08Å; S51-S55 PolarHBondContact OG-OG 3.3Å; S52-S55 WeakPolarHBondContact O-CB 3.27Å; S52-S55 PolarHBondContact O-N 3.46Å; S52-S55 PolarHBondContact O-OG 3.48Å; W53-S55 PolarHBondContact O-N 2.95Å; S55-S57 WeakPolarHBondContact OG-CB 3.02Å; S55-S57 PolarHBondContact OG-N 2.62Å; S55-S57 PolarHBondContact OG-OG 3.23Å; S55-R207 VanDerWaalsContact O-CD 3.27Å; S55-R207 WeakPolarHBondContact O-CD 3.32Å; S55-Y278 WeakPolarHBondContact O-CD2 3.48Å
56G94.6Very high96.1Very high15 Ų157.1 Ų7.116%0.1554%0.039CC..SBendtrans85.98.1-169.500000113.8R54 S58 F59 V60R54-G56 VanDerWaalsContact C-N 3.27Å; R54-G56 PolarHBondContact O-N 2.91Å; G56-S58 PolarHBondContact O-N 3.42Å; G56-F59 WeakPolarHBondContact O-CB 3.41Å; G56-F59 PolarHBondContact O-N 2.97Å; G56-V60 PolarHBondContact O-N 3.36Å
57S96Very high95.9Very high2 Ų27 Ų71%0.0144%0.038CC..Hα-helixtrans-59.5-25.7177.950.90000114.9S55 F59 V60 G61 K179 L205S55-S57 WeakPolarHBondContact OG-CB 3.02Å; S55-S57 PolarHBondContact OG-N 2.62Å; S55-S57 PolarHBondContact OG-OG 3.23Å; S57-F59 VanDerWaalsContact C-N 3.33Å; S57-V60 PolarHBondContact O-N 3.1Å; S57-G61 PolarHBondContact O-N 2.96Å; S57-K179 WeakPolarHBondContact OG-CE 3.49Å; S57-K179 PolarHBondContact OG-NZ 3.4Å; S57-L205 VanDerWaalsContact CA-CD2 3.5Å
58S94.5Very high95.6Very high24 Ų248.6 Ų8.617%0.1685%0.049CC..Hα-helixtrans-65.4-36.6170.9-53.90000112.2G56 Q62G56-S58 PolarHBondContact O-N 3.42Å; S58-Q62 WeakPolarHBondContact O-CG 3.3Å; S58-Q62 PolarHBondContact O-N 2.87Å; S58-Q62 VanDerWaalsContact O-N 3.07Å
59F94.7Very high95.4Very high18 Ų1812.4 Ų12.48%0.0797%0.069CC..Hα-helixtrans-65.9-47173.4165.3-123000110.5G56 S57 G61 Q62 L63 Y278 L281 I311 T312G56-F59 WeakPolarHBondContact O-CB 3.41Å; G56-F59 PolarHBondContact O-N 2.97Å; S57-F59 VanDerWaalsContact C-N 3.33Å; F59-G61 VanDerWaalsContact C-N 3.34Å; F59-G61 PolarHBondContact O-N 3.16Å; F59-Q62 WeakPolarHBondContact O-CB 3.43Å; F59-Q62 PolarHBondContact O-N 2.92Å; F59-Q62 VanDerWaalsContact O-N 3.08Å; F59-L63 HydrophobicContact CD2-CD2 4.35Å; F59-L63 HydrophobicContact CD2-CG 4.49Å; F59-L63 HydrophobicContact CE1-CD1 4.29Å; F59-L63 HydrophobicContact CE2-CD2 3.54Å; F59-L63 HydrophobicContact CE2-CG 4.07Å; F59-L63 HydrophobicContact CZ-CD1 4.16Å; F59-L63 HydrophobicContact CZ-CD2 3.67Å; F59-L63 HydrophobicContact CZ-CG 4.15Å; F59-L63 PolarHBondContact O-N 3.04Å; F59-Y278 HydrophobicContact CD1-CE2 4.33Å; F59-L281 HydrophobicContact CD1-CD2 3.98Å; F59-L281 HydrophobicContact CE1-CD1 4.45Å; F59-L281 HydrophobicContact CE1-CD2 3.7Å; F59-L281 HydrophobicContact CE1-CG 3.95Å; F59-I311 HydrophobicContact CD2-CG2 4.49Å; F59-I311 HydrophobicContact CE2-CG2 3.67Å; F59-I311 HydrophobicContact CZ-CG2 4.45Å; F59-T312 HydrophobicContact CE1-CG2 4.01Å; F59-T312 HydrophobicContact CE2-CG2 3.95Å; F59-T312 HydrophobicContact CZ-CG2 3.34Å
60V97Very high95.4Very high1 Ų112.5 Ų12.51%0.0067%0.07CC..Hα-helixtrans-61.2-41.7176.4179.10000112V49 G56 S57 Q62 L63 F64 L205 L281 M292V49-V60 HydrophobicContact CG1-CB 4.1Å; V49-V60 HydrophobicContact CG1-CG1 3.64Å; V49-V60 HydrophobicContact CG2-CG1 4.32Å; G56-V60 PolarHBondContact O-N 3.36Å; S57-V60 PolarHBondContact O-N 3.1Å; V60-Q62 VanDerWaalsContact C-N 3.27Å; V60-Q62 PolarHBondContact O-N 3.44Å; V60-L63 VanDerWaalsContact O-CB 3.29Å; V60-L63 WeakPolarHBondContact O-CB 3.45Å; V60-L63 PolarHBondContact O-N 2.9Å; V60-F64 HydrophobicContact CG1-CD2 4.49Å; V60-F64 HydrophobicContact CG1-CE2 4.15Å; V60-F64 WeakPolarHBondContact O-CD2 3.2Å; V60-F64 PolarHBondContact O-N 3.38Å; V60-L205 HydrophobicContact CB-CD2 4.35Å; V60-L205 HydrophobicContact CG2-CD1 4.02Å; V60-L205 HydrophobicContact CG2-CD2 3.65Å; V60-L205 HydrophobicContact CG2-CG 4.35Å; V60-L281 HydrophobicContact CG2-CD2 3.48Å; V60-L281 VanDerWaalsContact CG2-CD2 3.48Å; V60-M292 HydrophobicContact CG1-SD 4.11Å
61G96.4Very high95.3Very high0 Ų012.4 Ų12.40%07%0.069CC..Hα-helixtrans-57.6-40.5173.600000112.2S57 F59 F64 G65S57-G61 PolarHBondContact O-N 2.96Å; F59-G61 VanDerWaalsContact C-N 3.34Å; F59-G61 PolarHBondContact O-N 3.16Å; G61-F64 PolarHBondContact O-N 3.47Å; G61-G65 PolarHBondContact O-N 2.79Å
62Q94.1Very high95.4Very high4 Ų412.3 Ų12.32%0.0197%0.068CC..Hα-helixtrans-69.4-28.9174.5-70-62.4-68.400113.5S58 F59 V60 F64 G65 Q66 T130 W307 T324S58-Q62 WeakPolarHBondContact O-CG 3.3Å; S58-Q62 PolarHBondContact O-N 2.87Å; S58-Q62 VanDerWaalsContact O-N 3.07Å; F59-Q62 WeakPolarHBondContact O-CB 3.43Å; F59-Q62 PolarHBondContact O-N 2.92Å; F59-Q62 VanDerWaalsContact O-N 3.08Å; V60-Q62 VanDerWaalsContact C-N 3.27Å; V60-Q62 PolarHBondContact O-N 3.44Å; Q62-F64 PolarHBondContact O-N 2.75Å; Q62-G65 PolarHBondContact O-N 2.84Å; Q62-Q66 VanDerWaalsContact O-CG 3.3Å; Q62-Q66 WeakPolarHBondContact O-CG 3.5Å; Q62-Q66 PolarHBondContact O-N 2.96Å; Q62-T130 PolarHBondContact NE2-O 3.48Å; Q62-W307 HydrophobicContact CB-CH2 3.96Å; Q62-W307 HydrophobicContact CB-CZ2 4.4Å; Q62-W307 WeakPolarHBondContact O-CH2 3.35Å; Q62-T324 HydrophobicContact CG-CG2 4.1Å
63L95.9Very high95.4Very high0 Ų012.2 Ų12.20%07%0.068CC..Hα-helixtrans-56.3-38.5171.1-61.2176.9000111F59 V60 L281 T289 M292 Y293 W307 V308F59-L63 HydrophobicContact CD2-CD2 4.35Å; F59-L63 HydrophobicContact CD2-CG 4.49Å; F59-L63 HydrophobicContact CE1-CD1 4.29Å; F59-L63 HydrophobicContact CE2-CD2 3.54Å; F59-L63 HydrophobicContact CE2-CG 4.07Å; F59-L63 HydrophobicContact CZ-CD1 4.16Å; F59-L63 HydrophobicContact CZ-CD2 3.67Å; F59-L63 HydrophobicContact CZ-CG 4.15Å; F59-L63 PolarHBondContact O-N 3.04Å; V60-L63 VanDerWaalsContact O-CB 3.29Å; V60-L63 WeakPolarHBondContact O-CB 3.45Å; V60-L63 PolarHBondContact O-N 2.9Å; L63-L281 HydrophobicContact CD1-CD1 4.07Å; L63-L281 HydrophobicContact CD1-CD2 4.25Å; L63-T289 HydrophobicContact CB-CG2 4.45Å; L63-T289 HydrophobicContact CD1-CG2 4.48Å; L63-T289 HydrophobicContact CD2-CG2 4.47Å; L63-M292 HydrophobicContact CD1-CE 3.49Å; L63-M292 VanDerWaalsContact CD1-CE 3.49Å; L63-Y293 PolarHBondContact O-OH 3.22Å; L63-W307 HydrophobicContact CD2-CH2 4.33Å; L63-W307 HydrophobicContact CD2-CZ3 3.75Å; L63-V308 HydrophobicContact CD2-CG1 4.34Å; L63-V308 HydrophobicContact CD2-CG2 3.66Å
64F96.9Very high95.5Very high0 Ų012.3 Ų12.30%07%0.069CC..Hα-helixtrans-83-43.6174.3-67.9-79.4000112.9V47 V49 V60 G61 Q62 Q66 H67 V70 V177 V203 M292 Y293 V296 L298V47-F64 HydrophobicContact CG1-CZ 4.48Å; V49-F64 HydrophobicContact CG2-CD2 3.78Å; V49-F64 HydrophobicContact CG2-CE2 3.81Å; V60-F64 HydrophobicContact CG1-CD2 4.49Å; V60-F64 HydrophobicContact CG1-CE2 4.15Å; V60-F64 WeakPolarHBondContact O-CD2 3.2Å; V60-F64 PolarHBondContact O-N 3.38Å; G61-F64 PolarHBondContact O-N 3.47Å; Q62-F64 PolarHBondContact O-N 2.75Å; F64-Q66 PolarHBondContact O-N 3.34Å; F64-Q66 VanDerWaalsContact O-N 3.08Å; F64-H67 VanDerWaalsContact O-CB 3.26Å; F64-H67 WeakPolarHBondContact O-CB 3.33Å; F64-H67 PolarHBondContact O-N 3.13Å; F64-V70 HydrophobicContact CB-CG1 4.38Å; F64-V70 WeakPolarHBondContact O-CB 3.4Å; F64-V70 WeakPolarHBondContact O-CG1 3.36Å; F64-V177 HydrophobicContact CB-CB 4.3Å; F64-V177 HydrophobicContact CB-CG1 3.81Å; F64-V177 HydrophobicContact CB-CG2 4.18Å; F64-V177 HydrophobicContact CD1-CG2 4.36Å; F64-V177 HydrophobicContact CD2-CG1 4.25Å; F64-V177 HydrophobicContact CG-CG1 3.97Å; F64-V177 HydrophobicContact CG-CG2 4.43Å; F64-V203 HydrophobicContact CZ-CG2 4.2Å; F64-M292 HydrophobicContact CZ-CB 4.09Å; F64-Y293 HydrophobicContact CD1-CD1 4.41Å; F64-Y293 HydrophobicContact CD1-CE1 4.13Å; F64-Y293 HydrophobicContact CE1-CD1 4.06Å; F64-Y293 HydrophobicContact CE1-CE1 4.2Å; F64-V296 HydrophobicContact CE1-CG2 3.93Å; F64-L298 HydrophobicContact CD1-CD1 3.8Å; F64-L298 HydrophobicContact CE1-CD1 4.05Å
65G93.6Very high95.6Very high0 Ų011.2 Ų11.20%07%0.065CC..Hα-helixtrans-66.3-12.2-172.200000115.5G61 Q62 R132G61-G65 PolarHBondContact O-N 2.79Å; Q62-G65 PolarHBondContact O-N 2.84Å; G65-R132 WeakPolarHBondContact O-CB 3.38Å
66Q90.9Very high95.8Very high24 Ų2411.4 Ų11.411%0.1127%0.066CC..THydrogen-bonded Turntrans-88.9-11.6171.9-62.1-57.2-42.300113.3Q62 F64 L304 W307Q62-Q66 VanDerWaalsContact O-CG 3.3Å; Q62-Q66 WeakPolarHBondContact O-CG 3.5Å; Q62-Q66 PolarHBondContact O-N 2.96Å; F64-Q66 PolarHBondContact O-N 3.34Å; F64-Q66 VanDerWaalsContact O-N 3.08Å; Q66-L304 HydrophobicContact CB-CD2 3.96Å; Q66-W307 HydrophobicContact CG-CD2 4.42Å; Q66-W307 HydrophobicContact CG-CE3 4.48Å; Q66-W307 HydrophobicContact CG-CH2 3.74Å; Q66-W307 HydrophobicContact CG-CZ2 3.62Å; Q66-W307 HydrophobicContact CG-CZ3 4.16Å
67H93.9Very high95.9Very high0 Ų010.7 Ų10.70%06%0.059CC..SBendtrans-73.4137.5-177.9-167.7-78.2000111.6F64 D69 V70 Y293 E299 L304F64-H67 VanDerWaalsContact O-CB 3.26Å; F64-H67 WeakPolarHBondContact O-CB 3.33Å; F64-H67 PolarHBondContact O-N 3.13Å; H67-D69 IonicContact CE1-OD2 3.46Å; H67-D69 PolarHBondContact CE1-OD2 3.16Å; H67-D69 PolarHBondContact ND1-N 3.24Å; H67-D69 PolarHBondContact O-N 2.82Å; H67-V70 HydrophobicContact CB-CB 4.16Å; H67-V70 HydrophobicContact CB-CG2 3.78Å; H67-V70 PolarHBondContact O-N 3.36Å; H67-Y293 AromaticContact CD2-CE2 3.76Å; H67-E299 PolarHBondContact NE2-O 2.93Å; H67-L304 HydrophobicContact CB-CD1 4.21Å; H67-L304 VanDerWaalsContact CD2-CD1 3.48Å; H67-L304 WeakPolarHBondContact CD2-CD1 3.36Å
68P92.9Very high96Very high35 Ų3514.3 Ų14.323%0.2277%0.072CC..THydrogen-bonded Turntrans-66.9-21.1-175.525.7-35.1000115.9R132 Y173 L301P68-R132 VanDerWaalsContact CA-NH1 3.33Å; P68-Y173 WeakPolarHBondContact O-CD1 3.34Å; P68-Y173 WeakPolarHBondContact O-CE1 3.36Å; P68-L301 HydrophobicContact CG-CD1 3.41Å; P68-L301 VanDerWaalsContact CG-CD1 3.41Å
69D95.3Very high96.1Very high80 Ų8013.7 Ų13.743%0.4287%0.067SC..THydrogen-bonded Turntrans-98.19.2179.1-66-41.4000114.8H67 S174 H175 L298H67-D69 IonicContact CE1-OD2 3.46Å; H67-D69 PolarHBondContact CE1-OD2 3.16Å; H67-D69 PolarHBondContact ND1-N 3.24Å; H67-D69 PolarHBondContact O-N 2.82Å; D69-S174 WeakPolarHBondContact CB-OG 3.46Å; D69-S174 PolarHBondContact O-N 2.98Å; D69-S174 PolarHBondContact O-OG 3.32Å; D69-H175 PolarHBondContact O-N 3.37Å; D69-L298 HydrophobicContact CB-CD2 4.48Å
70V97.1Very high96.3Very high1 Ų112.9 Ų12.91%0.0066%0.063CC..EExtended strand (participates in β ladder)trans-111124-175.9168.70000112F64 H67 H175 V177 L298F64-V70 HydrophobicContact CB-CG1 4.38Å; F64-V70 WeakPolarHBondContact O-CB 3.4Å; F64-V70 WeakPolarHBondContact O-CG1 3.36Å; H67-V70 HydrophobicContact CB-CB 4.16Å; H67-V70 HydrophobicContact CB-CG2 3.78Å; H67-V70 PolarHBondContact O-N 3.36Å; V70-H175 HydrophobicContact CG2-CB 3.83Å; V70-V177 HydrophobicContact CB-CG2 4.44Å; V70-V177 HydrophobicContact CG1-CB 3.86Å; V70-V177 HydrophobicContact CG1-CG2 3.49Å; V70-V177 VanDerWaalsContact CG1-CG2 3.49Å; V70-V177 HydrophobicContact CG2-CG2 4.12Å; V70-L298 HydrophobicContact CG2-CD1 3.92Å; V70-L298 HydrophobicContact CG2-CD2 4.19Å
71F97.8Very high96.3Very high0 Ų012.9 Ų12.90%06%0.063CC..EExtended strand (participates in β ladder)trans-86116156.4-179.1-92000109.2L73 M108 A133 L134 V166 A169 C170 Y173 H175 V176 V177F71-L73 HydrophobicContact CD1-CG 4.47Å; F71-L73 HydrophobicContact CE1-CD1 3.67Å; F71-L73 HydrophobicContact CE1-CD2 4.27Å; F71-L73 HydrophobicContact CE1-CG 3.6Å; F71-L73 HydrophobicContact CZ-CD1 4.05Å; F71-L73 HydrophobicContact CZ-CD2 4.15Å; F71-L73 HydrophobicContact CZ-CG 3.99Å; F71-M108 HydrophobicContact CE1-CE 3.98Å; F71-M108 HydrophobicContact CZ-CE 3.96Å; F71-A133 HydrophobicContact CB-CB 4.41Å; F71-A133 HydrophobicContact CD2-CB 3.84Å; F71-A133 HydrophobicContact CG-CB 4.46Å; F71-L134 HydrophobicContact CE2-CD2 3.72Å; F71-L134 HydrophobicContact CE2-CG 4.36Å; F71-L134 HydrophobicContact CZ-CD2 4.31Å; F71-V166 HydrophobicContact CE2-CG1 4.23Å; F71-V166 HydrophobicContact CZ-CG1 3.85Å; F71-A169 HydrophobicContact CE2-CB 4.4Å; F71-C170 HydrophobicContact CD1-CB 3.9Å; F71-C170 VanDerWaalsContact CD2-CA 3.44Å; F71-C170 HydrophobicContact CD2-CB 3.83Å; F71-C170 HydrophobicContact CE1-CB 3.83Å; F71-C170 HydrophobicContact CE2-CB 3.76Å; F71-C170 HydrophobicContact CG-CB 3.89Å; F71-C170 HydrophobicContact CZ-CB 3.76Å; F71-Y173 HydrophobicContact CB-CD2 3.83Å; F71-Y173 HydrophobicContact CB-CG 3.98Å; F71-Y173 HydrophobicContact CD2-CD2 4.31Å; F71-H175 PolarHBondContact N-O 3.28Å; F71-V176 HydrophobicContact CD1-CG1 4.17Å; F71-V176 WeakPolarHBondContact O-CA 3.41Å; F71-V177 PolarHBondContact O-N 3.4Å
72Y97.9Very high96.3Very high0 Ų014.2 Ų14.20%07%0.07CC..EExtended strand (participates in β ladder)trans-112140-177.3171.7-103.8000111.9M74 S131 V177 K179Y72-M74 HydrophobicContact CE1-CB 3.95Å; Y72-M74 HydrophobicContact CE1-CE 4.34Å; Y72-M74 VanDerWaalsContact OH-CE 3.26Å; Y72-M74 WeakPolarHBondContact OH-CE 3.45Å; Y72-S131 WeakPolarHBondContact O-CB 3.4Å; Y72-S131 PolarHBondContact O-OG 3.13Å; Y72-V177 CarbonylContact C-O 3.59Å; Y72-V177 VanDerWaalsContact CA-O 3.28Å; Y72-V177 WeakPolarHBondContact CA-O 3.47Å; Y72-V177 HydrophobicContact CD2-CB 4.27Å; Y72-V177 HydrophobicContact CD2-CG1 4.11Å; Y72-V177 WeakPolarHBondContact CD2-O 3.38Å; Y72-K179 HydrophobicContact CE2-CB 3.72Å; Y72-K179 WeakPolarHBondContact OH-CB 3.41Å
73L98.3Very high96.4Very high5 Ų517 Ų173%0.0269%0.087CC..EExtended strand (participates in β ladder)trans-132.1140.3163.6-67.1175.7000111.3F71 V103 M108 L125 L134 V177 L178 K179F71-L73 HydrophobicContact CD1-CG 4.47Å; F71-L73 HydrophobicContact CE1-CD1 3.67Å; F71-L73 HydrophobicContact CE1-CD2 4.27Å; F71-L73 HydrophobicContact CE1-CG 3.6Å; F71-L73 HydrophobicContact CZ-CD1 4.05Å; F71-L73 HydrophobicContact CZ-CD2 4.15Å; F71-L73 HydrophobicContact CZ-CG 3.99Å; L73-V103 HydrophobicContact CD1-CG1 3.65Å; L73-M108 HydrophobicContact CD1-CE 4.11Å; L73-M108 HydrophobicContact CD1-SD 4.31Å; L73-L125 HydrophobicContact CD2-CD1 4.18Å; L73-L134 HydrophobicContact CD2-CD1 3.78Å; L73-V177 PolarHBondContact N-O 2.82Å; L73-L178 HydrophobicContact CB-CD2 3.75Å; L73-L178 HydrophobicContact CD1-CD2 4.31Å; L73-L178 HydrophobicContact CG-CD2 4.36Å; L73-K179 PolarHBondContact O-N 3.08Å
74M97.6Very high96.4Very high12 Ų1221.4 Ų21.46%0.05911%0.106CC..EExtended strand (participates in β ladder)trans-95.9118.7178-176.2173-66.700110.2Y72 P76 Q127 T130 K179Y72-M74 HydrophobicContact CE1-CB 3.95Å; Y72-M74 HydrophobicContact CE1-CE 4.34Å; Y72-M74 VanDerWaalsContact OH-CE 3.26Å; Y72-M74 WeakPolarHBondContact OH-CE 3.45Å; M74-P76 VanDerWaalsContact C-CD 3.48Å; M74-Q127 HydrophobicContact CB-CB 3.99Å; M74-Q127 HydrophobicContact CG-CB 4.17Å; M74-Q127 HydrophobicContact SD-CB 3.83Å; M74-Q127 HydrophobicContact SD-CG 3.91Å; M74-T130 HydrophobicContact CE-CG2 4.19Å; M74-K179 HydrophobicContact CG-CD 4.27Å
75E97.8Very high96.3Very high15 Ų1525.8 Ų25.87%0.0713%0.125CC..  trans49.149.6169.8-57.1178.6-139.900115.7A77 W78 F126 K179 E180 V181 R182E75-A77 PolarHBondContact O-N 3.07Å; E75-A77 VanDerWaalsContact O-N 3.1Å; E75-W78 HydrophobicContact CB-CB 4.45Å; E75-W78 WeakPolarHBondContact O-CB 3.37Å; E75-W78 PolarHBondContact O-N 3.1Å; E75-F126 HydrophobicContact CB-CD1 3.88Å; E75-F126 HydrophobicContact CB-CE1 4.01Å; E75-F126 HydrophobicContact CG-CE1 4.48Å; E75-K179 VanDerWaalsContact CA-O 3.23Å; E75-K179 WeakPolarHBondContact CA-O 2.99Å; E75-K179 VanDerWaalsContact CD-NZ 3.31Å; E75-K179 HydrophobicContact CG-CD 3.69Å; E75-K179 PolarHBondContact N-O 2.99Å; E75-K179 IonicContact OE1-NZ 2.57Å; E75-K179 PolarHBondContact OE1-NZ 2.81Å; E75-E180 VanDerWaalsContact CA-OE1 3.26Å; E75-E180 WeakPolarHBondContact CA-OE1 3.43Å; E75-V181 HydrophobicContact CG-CG2 4.1Å; E75-V181 WeakPolarHBondContact OE2-CG2 3.45Å; E75-R182 IonicContact OE2-CZ 2.9Å; E75-R182 IonicContact OE2-NH1 3.54Å; E75-R182 PolarHBondContact OE2-NH1 3Å; E75-R182 IonicContact OE2-NH2 3.57Å
76P98.1Very high96.3Very high4 Ų433.5 Ų33.53%0.02616%0.161CC..THydrogen-bonded Turntrans-50.4-33.4174.420.7-33.9000114.3M74 W78 H79 L99 I100 V103 F111 L178 E180M74-P76 VanDerWaalsContact C-CD 3.48Å; P76-W78 PolarHBondContact O-N 2.77Å; P76-H79 PolarHBondContact O-CD2 2.76Å; P76-H79 PolarHBondContact O-N 3Å; P76-L99 VanDerWaalsContact C-CD2 3.44Å; P76-L99 HydrophobicContact CB-CD2 4.15Å; P76-L99 VanDerWaalsContact O-CD2 3.27Å; P76-L99 WeakPolarHBondContact O-CD2 3.29Å; P76-I100 HydrophobicContact CB-CD1 4.45Å; P76-I100 HydrophobicContact CG-CD1 3.57Å; P76-V103 HydrophobicContact CB-CG2 4.43Å; P76-F111 HydrophobicContact CB-CE1 3.99Å; P76-F111 HydrophobicContact CB-CZ 3.69Å; P76-L178 HydrophobicContact CG-CD1 4.47Å; P76-L178 HydrophobicContact CG-CD2 4.43Å; P76-E180 WeakPolarHBondContact CD-OE1 3.46Å; P76-E180 WeakPolarHBondContact CG-OE1 3.46Å
77A97.8Very high96.5Very high0 Ų033.8 Ų33.80%017%0.166CC..THydrogen-bonded Turntrans-65-8.8176.200000114.4E75 H79 V80 W81 V96 L99 I100 E180 R182E75-A77 PolarHBondContact O-N 3.07Å; E75-A77 VanDerWaalsContact O-N 3.1Å; A77-H79 PolarHBondContact O-N 3.45Å; A77-V80 PolarHBondContact O-N 2.66Å; A77-W81 PolarHBondContact O-N 3.35Å; A77-V96 HydrophobicContact CB-CB 4.46Å; A77-V96 HydrophobicContact CB-CG1 3.76Å; A77-V96 HydrophobicContact CB-CG2 4.13Å; A77-L99 HydrophobicContact CB-CD2 4.4Å; A77-I100 HydrophobicContact CB-CD1 4.5Å; A77-E180 VanDerWaalsContact CB-OE1 3.31Å; A77-E180 WeakPolarHBondContact CB-OE1 3.32Å; A77-E180 PolarHBondContact N-OE1 3.24Å; A77-R182 HydrophobicContact CB-CB 4.17Å; A77-R182 WeakPolarHBondContact O-CD 3.44Å
78W97.8Very high96.6Very high77 Ų7735.5 Ų35.529%0.29218%0.176SC..Hα-helixtrans-52.5-40.5168.5-178.394.9000111.3E75 P76 V80 W81 M82 F126E75-W78 HydrophobicContact CB-CB 4.45Å; E75-W78 WeakPolarHBondContact O-CB 3.37Å; E75-W78 PolarHBondContact O-N 3.1Å; P76-W78 PolarHBondContact O-N 2.77Å; W78-V80 PolarHBondContact O-N 3.46Å; W78-W81 PolarHBondContact O-N 3.37Å; W78-M82 HydrophobicContact CD2-CB 4.41Å; W78-M82 HydrophobicContact CD2-CG 3.56Å; W78-M82 HydrophobicContact CE3-CB 4.28Å; W78-M82 HydrophobicContact CE3-CG 3.89Å; W78-M82 HydrophobicContact CG-CG 4.17Å; W78-M82 HydrophobicContact CH2-CB 4.24Å; W78-M82 HydrophobicContact CH2-CG 3.82Å; W78-M82 HydrophobicContact CZ2-CB 4.39Å; W78-M82 HydrophobicContact CZ2-CG 3.49Å; W78-M82 VanDerWaalsContact CZ2-CG 3.49Å; W78-M82 HydrophobicContact CZ2-SD 4.33Å; W78-M82 HydrophobicContact CZ3-CB 4.18Å; W78-M82 HydrophobicContact CZ3-CG 4.01Å; W78-M82 WeakPolarHBondContact O-CB 3.36Å; W78-M82 WeakPolarHBondContact O-CG 3.27Å; W78-M82 PolarHBondContact O-N 3.41Å; W78-F126 HydrophobicContact CB-CB 4.22Å; W78-F126 HydrophobicContact CB-CD1 4.12Å; W78-F126 HydrophobicContact CB-CD2 4.45Å; W78-F126 HydrophobicContact CB-CG 4.02Å; W78-F126 AromaticContact CD1-CD2 3.88Å; W78-F126 AromaticContact CD1-CE2 3.7Å; W78-F126 AromaticContact CD1-CZ 3.84Å; W78-F126 HydrophobicContact CD2-CB 4.23Å; W78-F126 AromaticContact CD2-CD2 3.55Å; W78-F126 HydrophobicContact CD2-CD2 3.55Å; W78-F126 HydrophobicContact CD2-CE2 4.06Å; W78-F126 AromaticContact CD2-CG 3.94Å; W78-F126 HydrophobicContact CD2-CG 3.94Å; W78-F126 AromaticContact CE2-CD2 3.59Å; W78-F126 AromaticContact CE2-CE2 3.7Å; W78-F126 HydrophobicContact CE3-CB 4.14Å; W78-F126 HydrophobicContact CE3-CD2 4.04Å; W78-F126 HydrophobicContact CE3-CG 4.32Å; W78-F126 HydrophobicContact CG-CB 4.3Å; W78-F126 HydrophobicContact CG-CD1 4.16Å; W78-F126 AromaticContact CG-CD2 3.75Å; W78-F126 HydrophobicContact CG-CD2 3.75Å; W78-F126 HydrophobicContact CG-CE1 4.42Å; W78-F126 HydrophobicContact CG-CE2 4.06Å; W78-F126 AromaticContact CG-CG 3.81Å; W78-F126 HydrophobicContact CG-CG 3.81Å; W78-F126 HydrophobicContact CG-CZ 4.38Å; W78-F126 HydrophobicContact CZ2-CD2 4.11Å; W78-F126 HydrophobicContact CZ2-CE2 4.27Å; W78-F126 AromaticContact NE1-CD2 3.82Å; W78-F126 AromaticContact NE1-CE2 3.5Å
79H97.7Very high96.6Very high12 Ų1234.4 Ų34.46%0.05617%0.171CC..Hα-helixtrans-59.9-49.1-179.7-71-64.8000111.8P76 A77 W81 M82 T83 F111 M115 S124 F126P76-H79 PolarHBondContact O-CD2 2.76Å; P76-H79 PolarHBondContact O-N 3Å; A77-H79 PolarHBondContact O-N 3.45Å; H79-W81 VanDerWaalsContact C-N 3.32Å; H79-W81 PolarHBondContact O-N 3.32Å; H79-M82 PolarHBondContact O-N 3.37Å; H79-T83 PolarHBondContact O-N 3.42Å; H79-T83 PolarHBondContact O-OG1 3.09Å; H79-F111 HydrophobicContact CB-CD1 4.22Å; H79-F111 HydrophobicContact CB-CE1 4.46Å; H79-F111 AromaticContact CD2-CD1 3.7Å; H79-F111 AromaticContact CD2-CE1 3.53Å; H79-M115 WeakPolarHBondContact CE1-CE 3.36Å; H79-M115 VanDerWaalsContact NE2-CE 3.32Å; H79-M115 WeakPolarHBondContact NE2-CE 3.37Å; H79-S124 PolarHBondContact CE1-O 3.32Å; H79-S124 PolarHBondContact NE2-O 3.03Å; H79-F126 PolarHBondContact NE2-N 3.41Å
80V97.9Very high96.4Very high0 Ų037.5 Ų37.50%018%0.177CC..Hα-helixtrans-55.3-46.9176.3176.90000111.5A77 W78 T83 F84 L92 A95 V96 L99 Y114A77-V80 PolarHBondContact O-N 2.66Å; W78-V80 PolarHBondContact O-N 3.46Å; V80-T83 PolarHBondContact O-N 3.1Å; V80-F84 HydrophobicContact CG1-CD2 4.34Å; V80-F84 WeakPolarHBondContact O-CD2 3.19Å; V80-F84 PolarHBondContact O-N 3.37Å; V80-F84 VanDerWaalsContact O-N 3.11Å; V80-L92 HydrophobicContact CG1-CB 4.34Å; V80-L92 HydrophobicContact CG1-CD2 4.24Å; V80-A95 HydrophobicContact CG1-CB 3.8Å; V80-V96 HydrophobicContact CB-CG2 4.26Å; V80-V96 HydrophobicContact CG1-CG2 3.99Å; V80-L99 HydrophobicContact CG2-CB 4.26Å; V80-L99 HydrophobicContact CG2-CD2 3.97Å; V80-Y114 HydrophobicContact CB-CD1 4.47Å; V80-Y114 HydrophobicContact CG1-CE1 4.45Å; V80-Y114 HydrophobicContact CG2-CD1 3.99Å; V80-Y114 HydrophobicContact CG2-CD2 3.92Å; V80-Y114 HydrophobicContact CG2-CE1 3.85Å; V80-Y114 HydrophobicContact CG2-CE2 3.76Å; V80-Y114 HydrophobicContact CG2-CG 4.02Å
81W97Very high96.3Very high1 Ų141.7 Ų41.70%0.00420%0.202CC..Hα-helixtrans-69.8-34.2-177.6-81.440000112.8W53 A77 W78 H79 F84 K85 A89 L92 R182 F184 D226 I229 V230W53-W81 HydrophobicContact CH2-CE3 4.15Å; W53-W81 AromaticContact CH2-CH2 3.54Å; W53-W81 HydrophobicContact CH2-CH2 3.54Å; W53-W81 HydrophobicContact CH2-CZ2 4.34Å; W53-W81 AromaticContact CH2-CZ3 3.41Å; W53-W81 HydrophobicContact CH2-CZ3 3.41Å; W53-W81 VanDerWaalsContact CH2-CZ3 3.41Å; W53-W81 HydrophobicContact CZ2-CE3 4.1Å; W53-W81 HydrophobicContact CZ2-CH2 4.31Å; W53-W81 AromaticContact CZ2-CZ3 3.76Å; W53-W81 HydrophobicContact CZ2-CZ3 3.76Å; W53-W81 HydrophobicContact CZ3-CH2 4.42Å; W53-W81 HydrophobicContact CZ3-CZ3 4.46Å; A77-W81 PolarHBondContact O-N 3.35Å; W78-W81 PolarHBondContact O-N 3.37Å; H79-W81 VanDerWaalsContact C-N 3.32Å; H79-W81 PolarHBondContact O-N 3.32Å; W81-F84 CarbonylContact O-C 3.11Å; W81-K85 PolarHBondContact O-N 3.14Å; W81-A89 HydrophobicContact CH2-CB 3.96Å; W81-A89 HydrophobicContact CZ2-CB 3.83Å; W81-L92 HydrophobicContact CD2-CD1 4.45Å; W81-L92 HydrophobicContact CG-CD1 3.96Å; W81-R182 HydrophobicContact CD2-CB 4.3Å; W81-R182 VanDerWaalsContact CD2-CD 3.47Å; W81-R182 HydrophobicContact CD2-CG 3.66Å; W81-R182 HydrophobicContact CE3-CG 3.99Å; W81-R182 VanDerWaalsContact CG-CD 3.44Å; W81-R182 HydrophobicContact CG-CG 4.16Å; W81-R182 HydrophobicContact CH2-CG 4.22Å; W81-R182 HydrophobicContact CZ2-CB 3.85Å; W81-R182 HydrophobicContact CZ2-CG 3.85Å; W81-R182 HydrophobicContact CZ3-CG 4.27Å; W81-F184 HydrophobicContact CH2-CD2 4.36Å; W81-F184 AromaticContact CH2-CE2 3.45Å; W81-F184 HydrophobicContact CH2-CE2 3.45Å; W81-F184 VanDerWaalsContact CH2-CE2 3.45Å; W81-F184 HydrophobicContact CH2-CZ 4.04Å; W81-F184 HydrophobicContact CZ2-CD2 4.27Å; W81-F184 AromaticContact CZ2-CE2 3.73Å; W81-F184 HydrophobicContact CZ2-CE2 3.73Å; W81-D226 HydrophobicContact CE3-CB 4.3Å; W81-D226 HydrophobicContact CZ3-CB 4.03Å; W81-I229 HydrophobicContact CB-CD1 4.07Å; W81-I229 HydrophobicContact CD2-CD1 4.07Å; W81-I229 HydrophobicContact CD2-CG2 4.05Å; W81-I229 HydrophobicContact CE3-CB 4.12Å; W81-I229 HydrophobicContact CE3-CD1 3.75Å; W81-I229 HydrophobicContact CE3-CG2 3.88Å; W81-I229 HydrophobicContact CG-CD1 4.26Å; W81-I229 HydrophobicContact CH2-CB 4.44Å; W81-I229 HydrophobicContact CH2-CG2 3.81Å; W81-I229 HydrophobicContact CZ2-CG2 4.04Å; W81-I229 HydrophobicContact CZ3-CB 3.96Å; W81-I229 HydrophobicContact CZ3-CD1 4.44Å; W81-I229 HydrophobicContact CZ3-CG2 3.75Å; W81-V230 HydrophobicContact CH2-CG2 3.95Å; W81-V230 HydrophobicContact CZ3-CG2 4.23Å
82M96.1Very high96.2Very high29 Ų2942 Ų4214%0.14320%0.204CC..Hα-helixtrans-79.4-25.3178-66.7-53.2130.400113.4W78 H79 K85 I225W78-M82 HydrophobicContact CD2-CB 4.41Å; W78-M82 HydrophobicContact CD2-CG 3.56Å; W78-M82 HydrophobicContact CE3-CB 4.28Å; W78-M82 HydrophobicContact CE3-CG 3.89Å; W78-M82 HydrophobicContact CG-CG 4.17Å; W78-M82 HydrophobicContact CH2-CB 4.24Å; W78-M82 HydrophobicContact CH2-CG 3.82Å; W78-M82 HydrophobicContact CZ2-CB 4.39Å; W78-M82 HydrophobicContact CZ2-CG 3.49Å; W78-M82 VanDerWaalsContact CZ2-CG 3.49Å; W78-M82 HydrophobicContact CZ2-SD 4.33Å; W78-M82 HydrophobicContact CZ3-CB 4.18Å; W78-M82 HydrophobicContact CZ3-CG 4.01Å; W78-M82 WeakPolarHBondContact O-CB 3.36Å; W78-M82 WeakPolarHBondContact O-CG 3.27Å; W78-M82 PolarHBondContact O-N 3.41Å; H79-M82 PolarHBondContact O-N 3.37Å; M82-K85 WeakPolarHBondContact O-CE 3.27Å; M82-K85 WeakPolarHBondContact O-CG 3.26Å; M82-I225 HydrophobicContact CE-CB 4.33Å; M82-I225 HydrophobicContact CE-CG2 3.9Å; M82-I225 HydrophobicContact SD-CD1 4.02Å; M82-I225 HydrophobicContact SD-CG2 4.09Å
83T96.7Very high95.9Very high61 Ų6143.5 Ų43.537%0.37421%0.211SC..Hα-helixtrans-68.9-46.6168.4-48.30000110.3H79 V80 Y114H79-T83 PolarHBondContact O-N 3.42Å; H79-T83 PolarHBondContact O-OG1 3.09Å; V80-T83 PolarHBondContact O-N 3.1Å; T83-Y114 WeakPolarHBondContact OG1-CA 3.4Å; T83-Y114 WeakPolarHBondContact OG1-CB 3.43Å; T83-Y114 PolarHBondContact OG1-O 3.09Å
84F96.3Very high95.7Very high94 Ų9447.2 Ų47.241%0.41223%0.229SC..  trans-107.354.2-172.6-58.5-67000113.4V80 W81 Q86 S87 L92 Y114V80-F84 HydrophobicContact CG1-CD2 4.34Å; V80-F84 WeakPolarHBondContact O-CD2 3.19Å; V80-F84 PolarHBondContact O-N 3.37Å; V80-F84 VanDerWaalsContact O-N 3.11Å; W81-F84 CarbonylContact O-C 3.11Å; F84-Q86 PolarHBondContact O-N 3.39Å; F84-S87 WeakPolarHBondContact O-CB 3.38Å; F84-S87 PolarHBondContact O-N 3.2Å; F84-L92 HydrophobicContact CB-CD1 4.42Å; F84-L92 HydrophobicContact CB-CD2 3.62Å; F84-L92 HydrophobicContact CD2-CD2 3.95Å; F84-L92 HydrophobicContact CG-CD2 4.06Å; F84-Y114 AromaticContact CE2-CD1 3.85Å; F84-Y114 HydrophobicContact CE2-CD1 3.85Å; F84-Y114 AromaticContact CE2-CE1 3.8Å; F84-Y114 HydrophobicContact CE2-CE1 3.8Å
85K95.1Very high95.6Very high92 Ų9247.8 Ų47.840%0.424%0.235SC..THydrogen-bonded Turntrans-57.5-26.5-173.4-55.1-178-177.7178.20114.6W81 M82 S87 I225 R228W81-K85 PolarHBondContact O-N 3.14Å; M82-K85 WeakPolarHBondContact O-CE 3.27Å; M82-K85 WeakPolarHBondContact O-CG 3.26Å; K85-S87 VanDerWaalsContact C-N 3.34Å; K85-I225 HydrophobicContact CB-CG2 4.21Å; K85-I225 HydrophobicContact CD-CD1 4.04Å; K85-I225 HydrophobicContact CG-CG2 4.17Å; K85-R228 PolarHBondContact O-NH2 3.33Å
86Q93.4Very high95.6Very high161 Ų16147 Ų4775%0.75223%0.232SC*.THydrogen-bonded Turntrans-902.6-178.7-54.8-60.9-17.800113.3F84 R228F84-Q86 PolarHBondContact O-N 3.39Å; Q86-R228 VanDerWaalsContact CD-NH2 3.3Å; Q86-R228 VanDerWaalsContact NE2-NH2 3.14Å; Q86-R228 VanDerWaalsContact OE1-CZ 3.3Å
87S95.2Very high95.5Very high30 Ų3048.8 Ų48.821%0.2124%0.238CC..SBendtrans-87.5-177.6-179.7-162.10000111.7F84 K85 T91 L92F84-S87 WeakPolarHBondContact O-CB 3.38Å; F84-S87 PolarHBondContact O-N 3.2Å; K85-S87 VanDerWaalsContact C-N 3.34Å; S87-T91 WeakPolarHBondContact OG-CB 3.34Å; S87-L92 WeakPolarHBondContact OG-CD2 3.2Å
88T94.9Very high95.5Very high36 Ų3652.1 Ų52.122%0.22126%0.256CS..  trans-112.6154.7174.973.60000110.7W90 T91 L92 I229T88-W90 PolarHBondContact O-N 2.98Å; T88-W90 VanDerWaalsContact O-N 3.15Å; T88-T91 PolarHBondContact O-N 3.41Å; T88-T91 VanDerWaalsContact O-N 3.09Å; T88-T91 PolarHBondContact OG1-N 2.7Å; T88-T91 VanDerWaalsContact OG1-N 3.13Å; T88-T91 PolarHBondContact OG1-OG1 3.17Å; T88-L92 WeakPolarHBondContact O-CG 3.41Å; T88-L92 PolarHBondContact O-N 2.85Å; T88-L92 VanDerWaalsContact O-N 3.1Å; T88-I229 WeakPolarHBondContact CA-O 3.27Å
89A93.5Very high95.5Very high13 Ų1348.4 Ų48.411%0.10724%0.242CC..THydrogen-bonded Turntrans-54.8-34.4175.400000112.2W81 F184 I229W81-A89 HydrophobicContact CH2-CB 3.96Å; W81-A89 HydrophobicContact CZ2-CB 3.83Å; A89-F184 HydrophobicContact CB-CD2 4.03Å; A89-F184 HydrophobicContact CB-CE2 4.23Å; A89-F184 HydrophobicContact CB-CG 4.47Å; A89-I229 HydrophobicContact CB-CG2 4.24Å; A89-I229 PolarHBondContact N-O 2.93Å; A89-I229 VanDerWaalsContact N-O 3.08Å
90W91.2Very high95.6Very high145 Ų14547.9 Ų47.955%0.54924%0.239SC..THydrogen-bonded Turntrans-65.3-49.6175.3-178.2-103000112.3T88 L92 H93T88-W90 PolarHBondContact O-N 2.98Å; T88-W90 VanDerWaalsContact O-N 3.15Å; W90-L92 VanDerWaalsContact C-N 3.28Å; W90-L92 PolarHBondContact O-N 2.7Å; W90-H93 VanDerWaalsContact O-CB 3.31Å; W90-H93 WeakPolarHBondContact O-CB 3.3Å; W90-H93 PolarHBondContact O-CD2 3.15Å; W90-H93 PolarHBondContact O-N 2.82Å
91T93.8Very high95.6Very high89 Ų8952.1 Ų52.155%0.54626%0.255SS..THydrogen-bonded Turntrans-63.9-33.9-178.8-53.40000112.5S87 T88 H93S87-T91 WeakPolarHBondContact OG-CB 3.34Å; T88-T91 PolarHBondContact O-N 3.41Å; T88-T91 VanDerWaalsContact O-N 3.09Å; T88-T91 PolarHBondContact OG1-N 2.7Å; T88-T91 VanDerWaalsContact OG1-N 3.13Å; T88-T91 PolarHBondContact OG1-OG1 3.17Å; T91-H93 VanDerWaalsContact C-N 3.29Å; T91-H93 PolarHBondContact O-N 2.94Å
92L95.3Very high95.6Very high7 Ų752.6 Ų52.64%0.03726%0.26CS..THydrogen-bonded Turntrans-79.7-8-177.2-61.9-178.6000114.1V80 W81 F84 S87 T88 W90 M94 A95 V96 I229V80-L92 HydrophobicContact CG1-CB 4.34Å; V80-L92 HydrophobicContact CG1-CD2 4.24Å; W81-L92 HydrophobicContact CD2-CD1 4.45Å; W81-L92 HydrophobicContact CG-CD1 3.96Å; F84-L92 HydrophobicContact CB-CD1 4.42Å; F84-L92 HydrophobicContact CB-CD2 3.62Å; F84-L92 HydrophobicContact CD2-CD2 3.95Å; F84-L92 HydrophobicContact CG-CD2 4.06Å; S87-L92 WeakPolarHBondContact OG-CD2 3.2Å; T88-L92 WeakPolarHBondContact O-CG 3.41Å; T88-L92 PolarHBondContact O-N 2.85Å; T88-L92 VanDerWaalsContact O-N 3.1Å; W90-L92 VanDerWaalsContact C-N 3.28Å; W90-L92 PolarHBondContact O-N 2.7Å; L92-M94 VanDerWaalsContact C-N 3.31Å; L92-M94 PolarHBondContact O-N 2.86Å; L92-A95 PolarHBondContact O-N 3.42Å; L92-V96 HydrophobicContact CB-CG2 4.43Å; L92-V96 WeakPolarHBondContact O-CG2 3.43Å; L92-V96 PolarHBondContact O-N 3.09Å; L92-I229 HydrophobicContact CD1-CG2 4.23Å
93H92.9Very high95.8Very high31 Ų3151.2 Ų51.214%0.14425%0.253CS..Hα-helixtrans-60.4-34.4-166.978.3157.9000114.4W90 T91 R97 S188W90-H93 VanDerWaalsContact O-CB 3.31Å; W90-H93 WeakPolarHBondContact O-CB 3.3Å; W90-H93 PolarHBondContact O-CD2 3.15Å; W90-H93 PolarHBondContact O-N 2.82Å; T91-H93 VanDerWaalsContact C-N 3.29Å; T91-H93 PolarHBondContact O-N 2.94Å; H93-R97 WeakPolarHBondContact O-CB 3.27Å; H93-R97 PolarHBondContact O-N 2.86Å; H93-S188 WeakPolarHBondContact CB-OG 3.44Å
94M93.6Very high95.8Very high83 Ų8348.3 Ų48.341%0.40924%0.235SC..Hα-helixtrans-73.9-46.5177.4-64.7-67.5-82.500111.4L92 V96 R97 D98L92-M94 VanDerWaalsContact C-N 3.31Å; L92-M94 PolarHBondContact O-N 2.86Å; M94-V96 VanDerWaalsContact C-N 3.28Å; M94-V96 PolarHBondContact O-N 2.8Å; M94-R97 VanDerWaalsContact CE-CZ 3.49Å; M94-R97 WeakPolarHBondContact O-CB 3.38Å; M94-R97 PolarHBondContact O-N 2.98Å; M94-R97 VanDerWaalsContact O-N 3.15Å; M94-R97 VanDerWaalsContact SD-CZ 3.54Å; M94-R97 PolarHBondContact SD-NH1 2.99Å; M94-D98 WeakPolarHBondContact O-CB 3.17Å; M94-D98 VanDerWaalsContact O-CG 3.23Å; M94-D98 PolarHBondContact O-N 3.19Å
95A96.3Very high95.9Very high23 Ų2346.6 Ų46.619%0.1923%0.23CC..Hα-helixtrans-60.4-40.9177.100000111.4V80 L92 D98 L99V80-A95 HydrophobicContact CG1-CB 3.8Å; L92-A95 PolarHBondContact O-N 3.42Å; A95-D98 PolarHBondContact O-N 3.1Å; A95-L99 WeakPolarHBondContact O-CB 3.05Å; A95-L99 PolarHBondContact O-N 2.04Å
96V97.2Very high96.1Very high0 Ų042.3 Ų42.30%021%0.211CC..Hα-helixtrans-61.2-50172.8170.10000110.8A77 V80 L92 M94 D98 L99 I100 F183A77-V96 HydrophobicContact CB-CB 4.46Å; A77-V96 HydrophobicContact CB-CG1 3.76Å; A77-V96 HydrophobicContact CB-CG2 4.13Å; V80-V96 HydrophobicContact CB-CG2 4.26Å; V80-V96 HydrophobicContact CG1-CG2 3.99Å; L92-V96 HydrophobicContact CB-CG2 4.43Å; L92-V96 WeakPolarHBondContact O-CG2 3.43Å; L92-V96 PolarHBondContact O-N 3.09Å; M94-V96 VanDerWaalsContact C-N 3.28Å; M94-V96 PolarHBondContact O-N 2.8Å; V96-D98 VanDerWaalsContact C-N 3.34Å; V96-D98 PolarHBondContact O-N 3.33Å; V96-L99 PolarHBondContact O-N 3.49Å; V96-I100 HydrophobicContact CG1-CG1 4.35Å; V96-I100 WeakPolarHBondContact O-CB 3.45Å; V96-I100 WeakPolarHBondContact O-CG1 3.3Å; V96-I100 PolarHBondContact O-N 3.21Å; V96-F183 HydrophobicContact CG1-CD1 4.29Å; V96-F183 HydrophobicContact CG1-CD2 4.48Å; V96-F183 HydrophobicContact CG1-CE1 3.83Å; V96-F183 HydrophobicContact CG1-CE2 4.03Å; V96-F183 HydrophobicContact CG1-CZ 3.69Å
97R96.9Very high96.3Very high40 Ų4037.8 Ų37.815%0.15119%0.192CC..Hα-helixtrans-56.7-48177.8178.6-162.270.2-160.5-2.6111.9H93 M94 I100 R101 S188 L192H93-R97 WeakPolarHBondContact O-CB 3.27Å; H93-R97 PolarHBondContact O-N 2.86Å; M94-R97 VanDerWaalsContact CE-CZ 3.49Å; M94-R97 WeakPolarHBondContact O-CB 3.38Å; M94-R97 PolarHBondContact O-N 2.98Å; M94-R97 VanDerWaalsContact O-N 3.15Å; M94-R97 VanDerWaalsContact SD-CZ 3.54Å; M94-R97 PolarHBondContact SD-NH1 2.99Å; R97-I100 PolarHBondContact O-N 3.2Å; R97-R101 WeakPolarHBondContact O-CB 3.46Å; R97-R101 PolarHBondContact O-N 3.16Å; R97-S188 WeakPolarHBondContact CD-O 3.01Å; R97-S188 VanDerWaalsContact CG-O 3.29Å; R97-S188 WeakPolarHBondContact CG-O 3.1Å; R97-L192 HydrophobicContact CG-CD1 4.16Å; R97-L192 HydrophobicContact CG-CD2 3.72Å; R97-L192 HydrophobicContact CG-CG 3.82Å
98D97Very high96.4Very high70 Ų7036.3 Ų36.337%0.37418%0.182SC..Hα-helixtrans-68.8-39.3-174.1-64.9-15.7000111.2M94 A95 V96 R101 A102M94-D98 WeakPolarHBondContact O-CB 3.17Å; M94-D98 VanDerWaalsContact O-CG 3.23Å; M94-D98 PolarHBondContact O-N 3.19Å; A95-D98 PolarHBondContact O-N 3.1Å; V96-D98 VanDerWaalsContact C-N 3.34Å; V96-D98 PolarHBondContact O-N 3.33Å; D98-R101 PolarHBondContact O-N 3.22Å; D98-A102 PolarHBondContact O-N 2.81Å
99L98.3Very high96.4Very high0 Ų037.5 Ų37.50%019%0.192CC..Hα-helixtrans-56.9-52.8169.4-176.690.2000111.1P76 A77 V80 A95 V96 R101 A102 V103 V110 F111 Y114P76-L99 VanDerWaalsContact C-CD2 3.44Å; P76-L99 HydrophobicContact CB-CD2 4.15Å; P76-L99 VanDerWaalsContact O-CD2 3.27Å; P76-L99 WeakPolarHBondContact O-CD2 3.29Å; A77-L99 HydrophobicContact CB-CD2 4.4Å; V80-L99 HydrophobicContact CG2-CB 4.26Å; V80-L99 HydrophobicContact CG2-CD2 3.97Å; A95-L99 WeakPolarHBondContact O-CB 3.05Å; A95-L99 PolarHBondContact O-N 2.04Å; V96-L99 PolarHBondContact O-N 3.49Å; L99-R101 VanDerWaalsContact C-N 3.29Å; L99-R101 PolarHBondContact O-N 3.4Å; L99-A102 PolarHBondContact O-N 3.09Å; L99-V103 HydrophobicContact CG-CG2 4.36Å; L99-V103 VanDerWaalsContact O-CG2 3.3Å; L99-V103 WeakPolarHBondContact O-CG2 3.43Å; L99-V103 PolarHBondContact O-N 2.95Å; L99-V110 HydrophobicContact CD1-CB 4.35Å; L99-V110 HydrophobicContact CD1-CG1 3.61Å; L99-V110 HydrophobicContact CD1-CG2 4.04Å; L99-V110 HydrophobicContact CG-CG1 4.34Å; L99-F111 HydrophobicContact CD1-CD1 3.79Å; L99-F111 HydrophobicContact CD1-CE1 3.77Å; L99-F111 HydrophobicContact CD1-CG 4.39Å; L99-F111 HydrophobicContact CD1-CZ 4.38Å; L99-F111 HydrophobicContact CD2-CE1 4.07Å; L99-F111 HydrophobicContact CG-CE1 4.3Å; L99-Y114 HydrophobicContact CB-CE2 4.33Å; L99-Y114 HydrophobicContact CD1-CD2 3.63Å; L99-Y114 HydrophobicContact CD1-CE2 3.58Å
100I98.3Very high96.6Very high0 Ų038.3 Ų38.30%020%0.195CC..Hα-helixtrans-61.8-40-176.9-68.1-63.2000111.6P76 A77 V96 R97 V103 F104 L178 E180 F183 L192P76-I100 HydrophobicContact CB-CD1 4.45Å; P76-I100 HydrophobicContact CG-CD1 3.57Å; A77-I100 HydrophobicContact CB-CD1 4.5Å; V96-I100 HydrophobicContact CG1-CG1 4.35Å; V96-I100 WeakPolarHBondContact O-CB 3.45Å; V96-I100 WeakPolarHBondContact O-CG1 3.3Å; V96-I100 PolarHBondContact O-N 3.21Å; R97-I100 PolarHBondContact O-N 3.2Å; I100-V103 PolarHBondContact O-N 2.82Å; I100-F104 HydrophobicContact CG2-CD2 3.66Å; I100-F104 HydrophobicContact CG2-CE2 3.41Å; I100-F104 VanDerWaalsContact CG2-CE2 3.41Å; I100-F104 HydrophobicContact CG2-CZ 4.34Å; I100-F104 WeakPolarHBondContact O-CB 3.45Å; I100-F104 VanDerWaalsContact O-CD2 3.24Å; I100-F104 WeakPolarHBondContact O-CD2 3.49Å; I100-F104 PolarHBondContact O-N 3.42Å; I100-L178 HydrophobicContact CD1-CD1 4.17Å; I100-L178 HydrophobicContact CG2-CD1 4.11Å; I100-E180 HydrophobicContact CD1-CG 3.6Å; I100-E180 WeakPolarHBondContact CD1-OE1 3.45Å; I100-E180 HydrophobicContact CG1-CG 4.42Å; I100-F183 HydrophobicContact CB-CZ 4.12Å; I100-F183 HydrophobicContact CG1-CE2 3.85Å; I100-F183 HydrophobicContact CG1-CZ 3.78Å; I100-F183 HydrophobicContact CG2-CE2 4.39Å; I100-F183 HydrophobicContact CG2-CZ 4.22Å; I100-L192 HydrophobicContact CG2-CD1 4.05Å
101R98.1Very high96.9Very high90 Ų9031.4 Ų31.434%0.3417%0.169SC..Hα-helixtrans-59.2-49.5174.4-171.8-171.5179.7-76.2-16.7111.7R97 D98 L99 F104 L105 L192 D195 S197 L198R97-R101 WeakPolarHBondContact O-CB 3.46Å; R97-R101 PolarHBondContact O-N 3.16Å; D98-R101 PolarHBondContact O-N 3.22Å; L99-R101 VanDerWaalsContact C-N 3.29Å; L99-R101 PolarHBondContact O-N 3.4Å; R101-F104 PolarHBondContact O-N 3.19Å; R101-L105 WeakPolarHBondContact O-CG 3.36Å; R101-L105 PolarHBondContact O-N 3.29Å; R101-L192 HydrophobicContact CB-CD2 3.71Å; R101-L192 HydrophobicContact CG-CD2 4.13Å; R101-D195 IonicContact CZ-OD2 3.57Å; R101-D195 IonicContact NE-OD2 2.79Å; R101-D195 PolarHBondContact NE-OD2 3.27Å; R101-D195 IonicContact NH2-OD1 2.72Å; R101-D195 IonicContact NH2-OD2 3.54Å; R101-D195 PolarHBondContact NH2-OD2 3.26Å; R101-S197 PolarHBondContact NH2-OG 2.96Å; R101-S197 VanDerWaalsContact NH2-OG 3.12Å; R101-L198 HydrophobicContact CG-CD1 4.34Å
102A98.4Very high96.9Very high11 Ų1131.4 Ų31.49%0.09117%0.166CC..Hα-helixtrans-63.1-45.7-179.800000111.5D98 L99 F104 L105 C106 D107 V110D98-A102 PolarHBondContact O-N 2.81Å; L99-A102 PolarHBondContact O-N 3.09Å; A102-F104 VanDerWaalsContact C-N 3.32Å; A102-F104 PolarHBondContact O-N 3.22Å; A102-L105 CarbonylContact O-C 3.27Å; A102-L105 WeakPolarHBondContact O-CA 3.32Å; A102-L105 PolarHBondContact O-N 3.03Å; A102-C106 PolarHBondContact O-N 3Å; A102-D107 CarbonylContact C-O 3.57Å; A102-D107 HydrophobicContact CB-CB 4.19Å; A102-D107 PolarHBondContact O-N 2.86Å; A102-V110 HydrophobicContact CB-CB 3.61Å; A102-V110 HydrophobicContact CB-CG1 3.7Å; A102-V110 HydrophobicContact CB-CG2 3.77Å
103V98.4Very high96.9Very high0 Ų034.4 Ų34.40%019%0.192CC..Hα-helixtrans-62.3-38.7177.5177.20000111.8L73 P76 L99 I100 L105 C106 M108 V110 F111 L178L73-V103 HydrophobicContact CD1-CG1 3.65Å; P76-V103 HydrophobicContact CB-CG2 4.43Å; L99-V103 HydrophobicContact CG-CG2 4.36Å; L99-V103 VanDerWaalsContact O-CG2 3.3Å; L99-V103 WeakPolarHBondContact O-CG2 3.43Å; L99-V103 PolarHBondContact O-N 2.95Å; I100-V103 PolarHBondContact O-N 2.82Å; V103-L105 PolarHBondContact O-N 3.46Å; V103-C106 WeakPolarHBondContact O-CA 3.36Å; V103-C106 PolarHBondContact O-N 3.13Å; V103-M108 HydrophobicContact CG1-CE 4.13Å; V103-M108 HydrophobicContact CG1-SD 4.46Å; V103-V110 HydrophobicContact CG2-CG1 4.06Å; V103-F111 HydrophobicContact CG2-CE2 3.64Å; V103-F111 HydrophobicContact CG2-CZ 3.59Å; V103-L178 HydrophobicContact CB-CD1 4.11Å; V103-L178 HydrophobicContact CG1-CD1 3.82Å; V103-L178 HydrophobicContact CG1-CD2 3.68Å; V103-L178 HydrophobicContact CG1-CG 4.43Å
104F98.3Very high97.1Very high0 Ų034.6 Ų34.60%019%0.191CC..Hα-helixtrans-60.2-35.8173.4-87.3-45.6000112.6H46 L48 I100 R101 A102 C106 V176 L178 L198 L200H46-F104 HydrophobicContact CB-CD1 3.73Å; H46-F104 HydrophobicContact CB-CE1 3.9Å; H46-F104 HydrophobicContact CB-CG 4.2Å; H46-F104 AromaticContact CD2-CD1 3.75Å; H46-F104 AromaticContact CD2-CG 3.93Å; H46-F104 PolarHBondContact CD2-O 3.13Å; H46-F104 VanDerWaalsContact CD2-O 3.25Å; H46-F104 PolarHBondContact NE2-O 3.25Å; L48-F104 HydrophobicContact CB-CZ 4.04Å; L48-F104 HydrophobicContact CD1-CZ 4.24Å; I100-F104 HydrophobicContact CG2-CD2 3.66Å; I100-F104 HydrophobicContact CG2-CE2 3.41Å; I100-F104 VanDerWaalsContact CG2-CE2 3.41Å; I100-F104 HydrophobicContact CG2-CZ 4.34Å; I100-F104 WeakPolarHBondContact O-CB 3.45Å; I100-F104 VanDerWaalsContact O-CD2 3.24Å; I100-F104 WeakPolarHBondContact O-CD2 3.49Å; I100-F104 PolarHBondContact O-N 3.42Å; R101-F104 PolarHBondContact O-N 3.19Å; A102-F104 VanDerWaalsContact C-N 3.32Å; A102-F104 PolarHBondContact O-N 3.22Å; F104-C106 PolarHBondContact O-N 3.25Å; F104-V176 HydrophobicContact CD1-CB 4.36Å; F104-V176 HydrophobicContact CD1-CG1 3.9Å; F104-L178 HydrophobicContact CD1-CD1 3.58Å; F104-L178 HydrophobicContact CD1-CG 3.81Å; F104-L178 HydrophobicContact CD2-CD1 4Å; F104-L178 HydrophobicContact CE1-CB 3.99Å; F104-L178 HydrophobicContact CE1-CD1 3.55Å; F104-L178 HydrophobicContact CE1-CG 3.45Å; F104-L178 VanDerWaalsContact CE1-CG 3.45Å; F104-L178 HydrophobicContact CE2-CD1 3.97Å; F104-L178 HydrophobicContact CG-CD1 3.8Å; F104-L178 HydrophobicContact CZ-CB 4.03Å; F104-L178 HydrophobicContact CZ-CD1 3.74Å; F104-L178 HydrophobicContact CZ-CG 3.9Å; F104-L198 HydrophobicContact CB-CD2 3.78Å; F104-L198 HydrophobicContact CD2-CD1 4.46Å; F104-L200 HydrophobicContact CE2-CD1 3.8Å; F104-L200 HydrophobicContact CZ-CD1 3.76Å
105L97.9Very high97Very high58 Ų5831.9 Ų31.930%0.30418%0.178SC..THydrogen-bonded Turntrans-81.910.1175-62.8174.5000113.1R101 A102 V103 D107 L198R101-L105 WeakPolarHBondContact O-CG 3.36Å; R101-L105 PolarHBondContact O-N 3.29Å; A102-L105 CarbonylContact O-C 3.27Å; A102-L105 WeakPolarHBondContact O-CA 3.32Å; A102-L105 PolarHBondContact O-N 3.03Å; V103-L105 PolarHBondContact O-N 3.46Å; L105-D107 PolarHBondContact O-N 3.37Å; L105-L198 HydrophobicContact CD2-CD2 3.78Å; L105-L198 HydrophobicContact CG-CD2 4.09Å
106C98.1Very high96.7Very high2 Ų238.6 Ų38.61%0.01421%0.205CC..THydrogen-bonded Turntrans59.129.1-176.3-54.10000114A102 V103 F104 E167 C170 H171A102-C106 PolarHBondContact O-N 3Å; V103-C106 WeakPolarHBondContact O-CA 3.36Å; V103-C106 PolarHBondContact O-N 3.13Å; F104-C106 PolarHBondContact O-N 3.25Å; C106-E167 VanDerWaalsContact O-CG 3.25Å; C106-E167 WeakPolarHBondContact O-CG 3.34Å; C106-C170 VanDerWaalsContact CA-SG 3.55Å; C106-C170 HydrophobicContact CB-CB 3.56Å; C106-C170 WeakPolarHBondContact CB-SG 3.17Å; C106-C170 WeakPolarHBondContact SG-CB 3.49Å; C106-C170 CovalentContact SG-SG 2.03Å; C106-C170 PolarHBondContact SG-SG 3.02Å; C106-H171 VanDerWaalsContact CB-CE1 3.45Å; C106-H171 WeakPolarHBondContact CB-CE1 3.1Å
107D97.8Very high96.3Very high65 Ų6544.4 Ų44.435%0.34824%0.243SC..  trans-93.9104.7170.9176.45000109.1A102 L105 S109 V110A102-D107 CarbonylContact C-O 3.57Å; A102-D107 HydrophobicContact CB-CB 4.19Å; A102-D107 PolarHBondContact O-N 2.86Å; L105-D107 PolarHBondContact O-N 3.37Å; D107-S109 VanDerWaalsContact OD1-CB 3.29Å; D107-S109 WeakPolarHBondContact OD1-CB 3.39Å; D107-S109 PolarHBondContact OD1-N 3.38Å; D107-S109 PolarHBondContact OD1-OG 3.28Å; D107-V110 WeakPolarHBondContact O-CG1 3.47Å
108M97.3Very high95.8Very high0 Ų044.8 Ų44.80%026%0.259CS..  trans-92-8.4-179.7-57.3-66.9157.500111.8F71 L73 V103 V110 F111 F163 V166 E167 C170F71-M108 HydrophobicContact CE1-CE 3.98Å; F71-M108 HydrophobicContact CZ-CE 3.96Å; L73-M108 HydrophobicContact CD1-CE 4.11Å; L73-M108 HydrophobicContact CD1-SD 4.31Å; V103-M108 HydrophobicContact CG1-CE 4.13Å; V103-M108 HydrophobicContact CG1-SD 4.46Å; M108-V110 PolarHBondContact O-N 3.1Å; M108-F111 HydrophobicContact CB-CD2 4.34Å; M108-F111 WeakPolarHBondContact O-CD2 3.35Å; M108-F111 PolarHBondContact O-N 2.89Å; M108-F111 HydrophobicContact SD-CD2 4.36Å; M108-F111 HydrophobicContact SD-CE2 3.76Å; M108-F163 HydrophobicContact CB-CB 4.16Å; M108-F163 HydrophobicContact CB-CD2 3.63Å; M108-F163 HydrophobicContact CB-CE2 4.22Å; M108-F163 HydrophobicContact CB-CG 4.01Å; M108-F163 WeakPolarHBondContact O-CD2 3.43Å; M108-V166 HydrophobicContact CE-CG1 4.06Å; M108-V166 HydrophobicContact CG-CB 4.5Å; M108-V166 HydrophobicContact CG-CG1 3.95Å; M108-V166 HydrophobicContact SD-CG1 4.05Å; M108-E167 HydrophobicContact CB-CG 3.84Å; M108-E167 WeakPolarHBondContact CB-OE1 3.25Å; M108-E167 HydrophobicContact CG-CG 3.49Å; M108-E167 VanDerWaalsContact CG-CG 3.49Å; M108-E167 PolarHBondContact N-OE1 2.88Å; M108-C170 HydrophobicContact CE-CB 4.39Å
109S95.6Very high95.4Very high61 Ų6146.1 Ų46.143%0.42727%0.272SS..G310 helixtrans-63.1-24.5174.877.30000112.1D107 F111 D112D107-S109 VanDerWaalsContact OD1-CB 3.29Å; D107-S109 WeakPolarHBondContact OD1-CB 3.39Å; D107-S109 PolarHBondContact OD1-N 3.38Å; D107-S109 PolarHBondContact OD1-OG 3.28Å; S109-F111 PolarHBondContact O-N 3.15Å; S109-D112 VanDerWaalsContact O-CB 3.22Å; S109-D112 WeakPolarHBondContact O-CB 3.47Å; S109-D112 PolarHBondContact O-N 3.29Å
110V97.1Very high95.1Very high29 Ų2948.1 Ų48.118%0.17628%0.279CS..G310 helixtrans-55.9-26.1176.472.50000113.6L99 A102 V103 D107 M108 D112 A113 Y114L99-V110 HydrophobicContact CD1-CB 4.35Å; L99-V110 HydrophobicContact CD1-CG1 3.61Å; L99-V110 HydrophobicContact CD1-CG2 4.04Å; L99-V110 HydrophobicContact CG-CG1 4.34Å; A102-V110 HydrophobicContact CB-CB 3.61Å; A102-V110 HydrophobicContact CB-CG1 3.7Å; A102-V110 HydrophobicContact CB-CG2 3.77Å; V103-V110 HydrophobicContact CG2-CG1 4.06Å; D107-V110 WeakPolarHBondContact O-CG1 3.47Å; M108-V110 PolarHBondContact O-N 3.1Å; V110-D112 PolarHBondContact O-N 3.3Å; V110-A113 PolarHBondContact O-N 3.33Å; V110-Y114 WeakPolarHBondContact O-CD2 3.31Å
111F97.3Very high94.8Very high0 Ų053.2 Ų53.20%030%0.298CS..G310 helixtrans-69.8-16.7176.5-71.5-69.8000113.1P76 H79 L99 V103 M108 S109 A113 Y114 M115 L125 F163P76-F111 HydrophobicContact CB-CE1 3.99Å; P76-F111 HydrophobicContact CB-CZ 3.69Å; H79-F111 HydrophobicContact CB-CD1 4.22Å; H79-F111 HydrophobicContact CB-CE1 4.46Å; H79-F111 AromaticContact CD2-CD1 3.7Å; H79-F111 AromaticContact CD2-CE1 3.53Å; L99-F111 HydrophobicContact CD1-CD1 3.79Å; L99-F111 HydrophobicContact CD1-CE1 3.77Å; L99-F111 HydrophobicContact CD1-CG 4.39Å; L99-F111 HydrophobicContact CD1-CZ 4.38Å; L99-F111 HydrophobicContact CD2-CE1 4.07Å; L99-F111 HydrophobicContact CG-CE1 4.3Å; V103-F111 HydrophobicContact CG2-CE2 3.64Å; V103-F111 HydrophobicContact CG2-CZ 3.59Å; M108-F111 HydrophobicContact CB-CD2 4.34Å; M108-F111 WeakPolarHBondContact O-CD2 3.35Å; M108-F111 PolarHBondContact O-N 2.89Å; M108-F111 HydrophobicContact SD-CD2 4.36Å; M108-F111 HydrophobicContact SD-CE2 3.76Å; S109-F111 PolarHBondContact O-N 3.15Å; F111-A113 PolarHBondContact O-N 2.96Å; F111-Y114 CarbonylContact O-C 3.59Å; F111-Y114 PolarHBondContact O-N 3.26Å; F111-M115 HydrophobicContact CB-CE 3.71Å; F111-M115 HydrophobicContact CB-CG 4.38Å; F111-M115 HydrophobicContact CB-SD 3.89Å; F111-M115 HydrophobicContact CD1-CE 3.69Å; F111-M115 HydrophobicContact CG-CE 3.76Å; F111-M115 PolarHBondContact O-N 3.01Å; F111-M115 VanDerWaalsContact O-N 3.08Å; F111-L125 HydrophobicContact CD1-CD2 4.4Å; F111-L125 HydrophobicContact CD2-CD2 3.69Å; F111-L125 HydrophobicContact CE1-CD2 4.11Å; F111-L125 HydrophobicContact CE2-CD2 3.35Å; F111-L125 HydrophobicContact CG-CD2 4.23Å; F111-L125 HydrophobicContact CZ-CD2 3.58Å; F111-F163 HydrophobicContact CB-CE2 3.96Å; F111-F163 HydrophobicContact CD2-CE2 4.02Å; F111-F163 HydrophobicContact CD2-CZ 4.38Å; F111-F163 HydrophobicContact CG-CE2 4.35Å
112D94.4Very high94.6Very high90 Ų9048.9 Ų48.948%0.48128%0.282SS..G310 helixtrans-60.3-28.4177.3-74.2-27.5000112.9S109 V110 Y114 R120S109-D112 VanDerWaalsContact O-CB 3.22Å; S109-D112 WeakPolarHBondContact O-CB 3.47Å; S109-D112 PolarHBondContact O-N 3.29Å; V110-D112 PolarHBondContact O-N 3.3Å; D112-Y114 PolarHBondContact O-N 2.93Å; D112-R120 IonicContact OD1-CZ 3.22Å; D112-R120 VanDerWaalsContact OD1-CZ 3.22Å; D112-R120 IonicContact OD1-NE 2.68Å; D112-R120 PolarHBondContact OD1-NE 3.1Å; D112-R120 IonicContact OD1-NH2 2.93Å; D112-R120 PolarHBondContact OD1-NH2 3.24Å
113A95.4Very high94.4Very high70 Ų7050.7 Ų50.758%0.57929%0.294SS*.G310 helixtrans-69.6-15.8174.800000113.6V110 F111V110-A113 PolarHBondContact O-N 3.33Å; F111-A113 PolarHBondContact O-N 2.96Å
114Y96.3Very high94.3Very high35 Ų3552.7 Ų52.714%0.13731%0.308CS..THydrogen-bonded Turntrans-129.32.4-167.9-49.1-63000114.1V80 T83 F84 L99 V110 F111 D112V80-Y114 HydrophobicContact CB-CD1 4.47Å; V80-Y114 HydrophobicContact CG1-CE1 4.45Å; V80-Y114 HydrophobicContact CG2-CD1 3.99Å; V80-Y114 HydrophobicContact CG2-CD2 3.92Å; V80-Y114 HydrophobicContact CG2-CE1 3.85Å; V80-Y114 HydrophobicContact CG2-CE2 3.76Å; V80-Y114 HydrophobicContact CG2-CG 4.02Å; T83-Y114 WeakPolarHBondContact OG1-CA 3.4Å; T83-Y114 WeakPolarHBondContact OG1-CB 3.43Å; T83-Y114 PolarHBondContact OG1-O 3.09Å; F84-Y114 AromaticContact CE2-CD1 3.85Å; F84-Y114 HydrophobicContact CE2-CD1 3.85Å; F84-Y114 AromaticContact CE2-CE1 3.8Å; F84-Y114 HydrophobicContact CE2-CE1 3.8Å; L99-Y114 HydrophobicContact CB-CE2 4.33Å; L99-Y114 HydrophobicContact CD1-CD2 3.63Å; L99-Y114 HydrophobicContact CD1-CE2 3.58Å; V110-Y114 WeakPolarHBondContact O-CD2 3.31Å; F111-Y114 CarbonylContact O-C 3.59Å; F111-Y114 PolarHBondContact O-N 3.26Å; D112-Y114 PolarHBondContact O-N 2.93Å
115M93.4Very high94.2Very high25 Ų2553 Ų5312%0.12331%0.31CS..SBendtrans-128.4143.3179.9-64.4179.8-179.200111.2H79 F111 R120 S124 L125 F163H79-M115 WeakPolarHBondContact CE1-CE 3.36Å; H79-M115 VanDerWaalsContact NE2-CE 3.32Å; H79-M115 WeakPolarHBondContact NE2-CE 3.37Å; F111-M115 HydrophobicContact CB-CE 3.71Å; F111-M115 HydrophobicContact CB-CG 4.38Å; F111-M115 HydrophobicContact CB-SD 3.89Å; F111-M115 HydrophobicContact CD1-CE 3.69Å; F111-M115 HydrophobicContact CG-CE 3.76Å; F111-M115 PolarHBondContact O-N 3.01Å; F111-M115 VanDerWaalsContact O-N 3.08Å; M115-R120 PolarHBondContact O-NH2 3.05Å; M115-S124 WeakPolarHBondContact CE-O 3.28Å; M115-L125 HydrophobicContact CE-CD2 4.24Å; M115-F163 HydrophobicContact CE-CZ 4.15Å; M115-F163 HydrophobicContact SD-CZ 4.18Å
116E89.9Confident94.1Very high164 Ų16452.5 Ų52.577%0.76631%0.305SS*.  trans-52.8145.6178.2-66.4-59149.800112.7G118 R120E116-G118 PolarHBondContact O-N 3.13Å; E116-R120 PolarHBondContact O-NH1 3.49Å; E116-R120 PolarHBondContact O-NH2 3.34Å
117P88.2Confident93.9Very high123 Ų12355.3 Ų55.380%0.79932%0.318SS*.SBendtrans-55.8136.6179.6-24.233.5000112.6
118G86.9Confident93.8Very high47 Ų4752.9 Ų52.949%0.48530%0.304SS..SBendtrans153.5176.1177.500000113.1E116 R120E116-G118 PolarHBondContact O-N 3.13Å; G118-R120 PolarHBondContact O-N 2.81Å
119P87.8Confident93.5Very high98 Ų9853.5 Ų53.564%0.63631%0.307SS*.  trans-61.8125.7177.726.2-33.3000110.1
120R91.3Very high93.3Very high43 Ų4350.9 Ų50.916%0.16229%0.289CS..  trans-76.3129.6175.3-59-55.9-179.6-153.3-3.4110.1D112 M115 E116 G118 P162 F163D112-R120 IonicContact OD1-CZ 3.22Å; D112-R120 VanDerWaalsContact OD1-CZ 3.22Å; D112-R120 IonicContact OD1-NE 2.68Å; D112-R120 PolarHBondContact OD1-NE 3.1Å; D112-R120 IonicContact OD1-NH2 2.93Å; D112-R120 PolarHBondContact OD1-NH2 3.24Å; M115-R120 PolarHBondContact O-NH2 3.05Å; E116-R120 PolarHBondContact O-NH1 3.49Å; E116-R120 PolarHBondContact O-NH2 3.34Å; G118-R120 PolarHBondContact O-N 2.81Å; R120-P162 WeakPolarHBondContact O-CA 3.13Å; R120-F163 HydrophobicContact CB-CB 4.13Å; R120-F163 HydrophobicContact CB-CD1 3.73Å; R120-F163 HydrophobicContact CB-CD2 3.56Å; R120-F163 HydrophobicContact CB-CE1 3.99Å; R120-F163 HydrophobicContact CB-CE2 3.8Å; R120-F163 HydrophobicContact CB-CG 3.52Å; R120-F163 HydrophobicContact CB-CZ 4.02Å; R120-F163 HydrophobicContact CG-CD2 3.81Å; R120-F163 HydrophobicContact CG-CE2 3.87Å; R120-F163 HydrophobicContact CG-CG 4.28Å; R120-F163 HydrophobicContact CG-CZ 4.42Å
121R93.8Very high93.1Very high106 Ų10649.6 Ų49.640%0.428%0.281SS..BIsolated β-bridgetrans-128151.7177.1-61.7178.5-178.3166.98107.6S123 S124 Q161 F163R121-S123 PolarHBondContact O-N 3.15Å; R121-S124 WeakPolarHBondContact O-CA 3.31Å; R121-S124 WeakPolarHBondContact O-CB 3.43Å; R121-S124 PolarHBondContact O-N 2.93Å; R121-S124 PolarHBondContact O-OG 3.21Å; R121-S124 VanDerWaalsContact O-OG 3.11Å; R121-Q161 CarbonylContact C-O 3.4Å; R121-Q161 VanDerWaalsContact CA-O 3.27Å; R121-Q161 WeakPolarHBondContact CA-O 3.3Å; R121-F163 VanDerWaalsContact O-CE1 3.23Å; R121-F163 WeakPolarHBondContact O-CE1 3.43Å
122Q93.1Very high92.9Very high0 Ų050.9 Ų50.90%029%0.285CS..G310 helixtrans-57.6-27.9178.171.9171.81.300112.3S124 L125 W128 L134 C158 Q161 V166Q122-S124 PolarHBondContact O-N 3.15Å; Q122-L125 WeakPolarHBondContact O-CB 3.48Å; Q122-L125 PolarHBondContact O-N 3.17Å; Q122-W128 VanDerWaalsContact CD-CZ3 3.46Å; Q122-W128 HydrophobicContact CG-CD2 4.15Å; Q122-W128 HydrophobicContact CG-CE3 3.83Å; Q122-W128 HydrophobicContact CG-CH2 4.35Å; Q122-W128 HydrophobicContact CG-CZ3 3.97Å; Q122-W128 WeakPolarHBondContact O-CB 3.5Å; Q122-W128 VanDerWaalsContact O-CG 3.27Å; Q122-L134 PolarHBondContact NE2-O 2.88Å; Q122-L134 PolarHBondContact OE1-O 3.2Å; Q122-C158 PolarHBondContact NE2-O 2.64Å; Q122-Q161 HydrophobicContact CB-CB 4.49Å; Q122-Q161 HydrophobicContact CG-CB 4.08Å; Q122-Q161 PolarHBondContact N-O 3.44Å; Q122-V166 HydrophobicContact CB-CG2 3.72Å
123S94.4Very high92.8Very high49 Ų4946.6 Ų46.634%0.34326%0.262SS..G310 helixtrans-64-14172.355.60000115.9R121 L125 S159R121-S123 PolarHBondContact O-N 3.15Å; S123-L125 VanDerWaalsContact C-N 3.33Å; S123-S159 WeakPolarHBondContact CB-O 3.46Å; S123-S159 PolarHBondContact N-O 2.87Å; S123-S159 PolarHBondContact OG-O 2.89Å
124S95.3Very high92.8Very high42 Ų4243.2 Ų43.229%0.29424%0.235SC..G310 helixtrans-73.8-23.2169.9-52.70000112.4H79 M115 R121 Q122H79-S124 PolarHBondContact CE1-O 3.32Å; H79-S124 PolarHBondContact NE2-O 3.03Å; M115-S124 WeakPolarHBondContact CE-O 3.28Å; R121-S124 WeakPolarHBondContact O-CA 3.31Å; R121-S124 WeakPolarHBondContact O-CB 3.43Å; R121-S124 PolarHBondContact O-N 2.93Å; R121-S124 PolarHBondContact O-OG 3.21Å; R121-S124 VanDerWaalsContact O-OG 3.11Å; Q122-S124 PolarHBondContact O-N 3.15Å
125L96.6Very high92.6Very high7 Ų741.7 Ų41.74%0.03723%0.229CC..SBendtrans-74.7137.5176.6-62.6170.2000110L73 F111 M115 Q122 S123 Q127 W128 L134 F163 V166L73-L125 HydrophobicContact CD2-CD1 4.18Å; F111-L125 HydrophobicContact CD1-CD2 4.4Å; F111-L125 HydrophobicContact CD2-CD2 3.69Å; F111-L125 HydrophobicContact CE1-CD2 4.11Å; F111-L125 HydrophobicContact CE2-CD2 3.35Å; F111-L125 HydrophobicContact CG-CD2 4.23Å; F111-L125 HydrophobicContact CZ-CD2 3.58Å; M115-L125 HydrophobicContact CE-CD2 4.24Å; Q122-L125 WeakPolarHBondContact O-CB 3.48Å; Q122-L125 PolarHBondContact O-N 3.17Å; S123-L125 VanDerWaalsContact C-N 3.33Å; L125-Q127 PolarHBondContact O-N 3.01Å; L125-W128 HydrophobicContact CB-CB 3.93Å; L125-W128 PolarHBondContact O-N 3.11Å; L125-L134 HydrophobicContact CD1-CD1 4.43Å; L125-F163 HydrophobicContact CD1-CE1 4.22Å; L125-F163 HydrophobicContact CD2-CE1 4.2Å; L125-F163 HydrophobicContact CD2-CZ 3.85Å; L125-F163 HydrophobicContact CG-CE1 3.87Å; L125-F163 HydrophobicContact CG-CZ 4.02Å; L125-V166 HydrophobicContact CD1-CG1 4.01Å; L125-V166 HydrophobicContact CD1-CG2 4.49Å
126F95.9Very high92.4Very high47 Ų4740.5 Ų40.521%0.20622%0.223CC..THydrogen-bonded Turntrans-65.7127.1-177.6178.7-103.9000109.7E75 W78 H79 W128E75-F126 HydrophobicContact CB-CD1 3.88Å; E75-F126 HydrophobicContact CB-CE1 4.01Å; E75-F126 HydrophobicContact CG-CE1 4.48Å; W78-F126 HydrophobicContact CB-CB 4.22Å; W78-F126 HydrophobicContact CB-CD1 4.12Å; W78-F126 HydrophobicContact CB-CD2 4.45Å; W78-F126 HydrophobicContact CB-CG 4.02Å; W78-F126 AromaticContact CD1-CD2 3.88Å; W78-F126 AromaticContact CD1-CE2 3.7Å; W78-F126 AromaticContact CD1-CZ 3.84Å; W78-F126 HydrophobicContact CD2-CB 4.23Å; W78-F126 AromaticContact CD2-CD2 3.55Å; W78-F126 HydrophobicContact CD2-CD2 3.55Å; W78-F126 HydrophobicContact CD2-CE2 4.06Å; W78-F126 AromaticContact CD2-CG 3.94Å; W78-F126 HydrophobicContact CD2-CG 3.94Å; W78-F126 AromaticContact CE2-CD2 3.59Å; W78-F126 AromaticContact CE2-CE2 3.7Å; W78-F126 HydrophobicContact CE3-CB 4.14Å; W78-F126 HydrophobicContact CE3-CD2 4.04Å; W78-F126 HydrophobicContact CE3-CG 4.32Å; W78-F126 HydrophobicContact CG-CB 4.3Å; W78-F126 HydrophobicContact CG-CD1 4.16Å; W78-F126 AromaticContact CG-CD2 3.75Å; W78-F126 HydrophobicContact CG-CD2 3.75Å; W78-F126 HydrophobicContact CG-CE1 4.42Å; W78-F126 HydrophobicContact CG-CE2 4.06Å; W78-F126 AromaticContact CG-CG 3.81Å; W78-F126 HydrophobicContact CG-CG 3.81Å; W78-F126 HydrophobicContact CG-CZ 4.38Å; W78-F126 HydrophobicContact CZ2-CD2 4.11Å; W78-F126 HydrophobicContact CZ2-CE2 4.27Å; W78-F126 AromaticContact NE1-CD2 3.82Å; W78-F126 AromaticContact NE1-CE2 3.5Å; H79-F126 PolarHBondContact NE2-N 3.41Å; F126-W128 PolarHBondContact O-N 3.33Å; F126-W128 VanDerWaalsContact O-N 3.11Å
127Q94.6Very high92.3Very high61 Ų6134.1 Ų34.129%0.28520%0.199SC..THydrogen-bonded Turntrans53.631.7177.5-61.7-78.9-8.800113.9M74 L125 E129 T130M74-Q127 HydrophobicContact CB-CB 3.99Å; M74-Q127 HydrophobicContact CG-CB 4.17Å; M74-Q127 HydrophobicContact SD-CB 3.83Å; M74-Q127 HydrophobicContact SD-CG 3.91Å; L125-Q127 PolarHBondContact O-N 3.01Å; Q127-E129 VanDerWaalsContact C-OE2 3.29Å; Q127-E129 PolarHBondContact O-N 3.28Å; Q127-E129 VanDerWaalsContact O-N 3.16Å; Q127-E129 PolarHBondContact OE1-OE1 3.09Å; Q127-T130 HydrophobicContact CB-CG2 4.07Å; Q127-T130 WeakPolarHBondContact O-CB 3.28Å; Q127-T130 WeakPolarHBondContact O-CG2 3.45Å; Q127-T130 PolarHBondContact O-N 3.31Å; Q127-T130 PolarHBondContact O-OG1 3.1Å
128W94.7Very high92.4Very high13 Ų1331 Ų315%0.04918%0.178CC..G310 helixtrans-54.7-34.2-17669.8-84.3000113.6Q122 L125 F126 T130 S131 L134 C154 R155 C158 S159Q122-W128 VanDerWaalsContact CD-CZ3 3.46Å; Q122-W128 HydrophobicContact CG-CD2 4.15Å; Q122-W128 HydrophobicContact CG-CE3 3.83Å; Q122-W128 HydrophobicContact CG-CH2 4.35Å; Q122-W128 HydrophobicContact CG-CZ3 3.97Å; Q122-W128 WeakPolarHBondContact O-CB 3.5Å; Q122-W128 VanDerWaalsContact O-CG 3.27Å; L125-W128 HydrophobicContact CB-CB 3.93Å; L125-W128 PolarHBondContact O-N 3.11Å; F126-W128 PolarHBondContact O-N 3.33Å; F126-W128 VanDerWaalsContact O-N 3.11Å; W128-T130 PolarHBondContact O-N 3.39Å; W128-T130 VanDerWaalsContact O-N 3.09Å; W128-S131 VanDerWaalsContact O-CB 3.25Å; W128-S131 WeakPolarHBondContact O-CB 3.23Å; W128-S131 PolarHBondContact O-N 3.1Å; W128-L134 HydrophobicContact CB-CD1 3.93Å; W128-L134 HydrophobicContact CE3-CB 4.1Å; W128-C154 VanDerWaalsContact CH2-O 3.29Å; W128-C154 WeakPolarHBondContact CH2-O 3.45Å; W128-C154 WeakPolarHBondContact CZ3-SG 3.14Å; W128-R155 HydrophobicContact CZ2-CB 4.49Å; W128-R155 HydrophobicContact CZ2-CG 4.36Å; W128-C158 HydrophobicContact CH2-CB 3.93Å; W128-C158 HydrophobicContact CZ3-CB 3.96Å; W128-S159 VanDerWaalsContact CZ2-CA 3.48Å
129E92.3Very high92.6Very high14 Ų1428.9 Ų28.97%0.06516%0.156CC..G310 helixtrans-65.7-11.9179.869.8-81.3-166.600113.8Q127 C135 Q151 R155Q127-E129 VanDerWaalsContact C-OE2 3.29Å; Q127-E129 PolarHBondContact O-N 3.28Å; Q127-E129 VanDerWaalsContact O-N 3.16Å; Q127-E129 PolarHBondContact OE1-OE1 3.09Å; E129-C135 PolarHBondContact O-SG 3.28Å; E129-Q151 HydrophobicContact CG-CB 4.14Å; E129-R155 HydrophobicContact CB-CG 3.59Å; E129-R155 HydrophobicContact CG-CG 3.72Å; E129-R155 VanDerWaalsContact CG-NE 3.35Å; E129-R155 IonicContact OE1-CZ 3.16Å; E129-R155 IonicContact OE1-NE 2.93Å; E129-R155 PolarHBondContact OE1-NE 3.04Å; E129-R155 IonicContact OE1-NH2 2.62Å; E129-R155 PolarHBondContact OE1-NH2 3.3Å; E129-R155 IonicContact OE2-NE 3.88Å
130T91.1Very high92.7Very high6 Ų624.3 Ų24.34%0.03713%0.127CC..G310 helixtrans-79.8-9.1174.269.30000112Q62 M74 Q127 W128Q62-T130 PolarHBondContact NE2-O 3.48Å; M74-T130 HydrophobicContact CE-CG2 4.19Å; Q127-T130 HydrophobicContact CB-CG2 4.07Å; Q127-T130 WeakPolarHBondContact O-CB 3.28Å; Q127-T130 WeakPolarHBondContact O-CG2 3.45Å; Q127-T130 PolarHBondContact O-N 3.31Å; Q127-T130 PolarHBondContact O-OG1 3.1Å; W128-T130 PolarHBondContact O-N 3.39Å; W128-T130 VanDerWaalsContact O-N 3.09Å
131S93.3Very high92.3Very high1 Ų128.1 Ų28.11%0.00715%0.15CC..  trans-91.5113.3175.7-171.50000110.8Y72 W128 A133 L134 C135Y72-S131 WeakPolarHBondContact O-CB 3.4Å; Y72-S131 PolarHBondContact O-OG 3.13Å; W128-S131 VanDerWaalsContact O-CB 3.25Å; W128-S131 WeakPolarHBondContact O-CB 3.23Å; W128-S131 PolarHBondContact O-N 3.1Å; S131-A133 PolarHBondContact O-N 2.89Å; S131-L134 PolarHBondContact O-N 2.87Å; S131-L134 VanDerWaalsContact O-N 3.11Å; S131-C135 PolarHBondContact O-N 3.01Å; S131-C135 PolarHBondContact O-SG 3.11Å
132R91.6Very high91.4Very high27 Ų2728 Ų2810%0.10216%0.157CC..Hα-helixtrans-54.9-40171.8-178.3178.4165.3-81.95.4110.9G65 P68 L134 C135 S136 Q145G65-R132 WeakPolarHBondContact O-CB 3.38Å; P68-R132 VanDerWaalsContact CA-NH1 3.33Å; R132-L134 PolarHBondContact O-N 2.8Å; R132-C135 CarbonylContact O-C 3.35Å; R132-C135 WeakPolarHBondContact O-CA 3.42Å; R132-C135 PolarHBondContact O-N 3.42Å; R132-S136 PolarHBondContact O-N 2.87Å; R132-S136 PolarHBondContact O-OG 2.82Å; R132-S136 VanDerWaalsContact O-OG 3.12Å; R132-Q145 PolarHBondContact NH2-O 2.78Å
133A93.4Very high90.1Very high0 Ų029.2 Ų29.20%016%0.163CC..Hα-helixtrans-61.2-25.2-179.800000114.8F71 S131 A139 Y173F71-A133 HydrophobicContact CB-CB 4.41Å; F71-A133 HydrophobicContact CD2-CB 3.84Å; F71-A133 HydrophobicContact CG-CB 4.46Å; S131-A133 PolarHBondContact O-N 2.89Å; A133-A139 VanDerWaalsContact O-CB 3.24Å; A133-A139 WeakPolarHBondContact O-CB 3.38Å; A133-Y173 WeakPolarHBondContact CA-OH 3.31Å; A133-Y173 HydrophobicContact CB-CD2 4.09Å; A133-Y173 HydrophobicContact CB-CE1 4.06Å; A133-Y173 HydrophobicContact CB-CE2 3.47Å; A133-Y173 VanDerWaalsContact CB-CE2 3.47Å; A133-Y173 VanDerWaalsContact CB-CZ 3.46Å
134L94.4Very high88.6Confident0 Ų031.3 Ų31.30%018%0.175CC..Hα-helixtrans-92.7-8.4174.4-62.2-174.2000113.5F71 L73 Q122 L125 W128 S131 R132 A139 V166F71-L134 HydrophobicContact CE2-CD2 3.72Å; F71-L134 HydrophobicContact CE2-CG 4.36Å; F71-L134 HydrophobicContact CZ-CD2 4.31Å; L73-L134 HydrophobicContact CD2-CD1 3.78Å; Q122-L134 PolarHBondContact NE2-O 2.88Å; Q122-L134 PolarHBondContact OE1-O 3.2Å; L125-L134 HydrophobicContact CD1-CD1 4.43Å; W128-L134 HydrophobicContact CB-CD1 3.93Å; W128-L134 HydrophobicContact CE3-CB 4.1Å; S131-L134 PolarHBondContact O-N 2.87Å; S131-L134 VanDerWaalsContact O-N 3.11Å; R132-L134 PolarHBondContact O-N 2.8Å; L134-A139 HydrophobicContact CD2-CB 4.17Å; L134-V166 HydrophobicContact CD2-CB 4.41Å; L134-V166 HydrophobicContact CD2-CG1 4.02Å; L134-V166 HydrophobicContact CD2-CG2 4.11Å
135C91.7Very high86.9Confident3 Ų334.7 Ų34.72%0.0219%0.186CC..Hα-helixtrans-105.2-7.6179-61.30000112.9E129 S131 R132 I149 C154E129-C135 PolarHBondContact O-SG 3.28Å; S131-C135 PolarHBondContact O-N 3.01Å; S131-C135 PolarHBondContact O-SG 3.11Å; R132-C135 CarbonylContact O-C 3.35Å; R132-C135 WeakPolarHBondContact O-CA 3.42Å; R132-C135 PolarHBondContact O-N 3.42Å; C135-I149 HydrophobicContact CB-CB 4.44Å; C135-I149 HydrophobicContact CB-CD1 3.77Å; C135-I149 HydrophobicContact CB-CG2 4.26Å; C135-I149 WeakPolarHBondContact O-CD1 3.43Å; C135-C154 WeakPolarHBondContact CA-SG 3.38Å; C135-C154 HydrophobicContact CB-CB 3.69Å; C135-C154 WeakPolarHBondContact CB-SG 3.44Å; C135-C154 WeakPolarHBondContact SG-CB 3.31Å; C135-C154 CovalentContact SG-SG 2.02Å; C135-C154 PolarHBondContact SG-SG 2.85Å
136S89.3Confident85.1Confident0 Ų043.5 Ų43.50%023%0.227CC..SBendtrans-127.4172.9178670000111.5R132 A139 C140R132-S136 PolarHBondContact O-N 2.87Å; R132-S136 PolarHBondContact O-OG 2.82Å; R132-S136 VanDerWaalsContact O-OG 3.12Å; S136-A139 PolarHBondContact O-N 3.03Å; S136-C140 CarbonylContact C-O 3.05Å; S136-C140 WeakPolarHBondContact CA-O 3.48Å; S136-C140 PolarHBondContact O-N 2.77Å
137A87.9Confident83.5Confident30 Ų3048 Ų4825%0.24825%0.249CC..THydrogen-bonded Turntrans-52.4143.7169.800000111.4C140 D141 Y173A137-C140 PolarHBondContact N-O 2.92Å; A137-D141 WeakPolarHBondContact CA-OD1 3.49Å; A137-D141 WeakPolarHBondContact CB-OD1 3.36Å; A137-Y173 PolarHBondContact O-OH 3.42Å
138P91Very high81.9Confident57 Ų5750 Ų5037%0.3726%0.26SS..THydrogen-bonded Turncis-87.70.41.237.4-37.7000114.1A169P138-A169 HydrophobicContact CG-CB 4Å
139A92.1Very high80.5Confident3 Ų350.4 Ų50.43%0.02526%0.263CS..THydrogen-bonded Turntrans-74.9-38.7179.500000111.7A133 L134 S136 Q161 V165 A169A133-A139 VanDerWaalsContact O-CB 3.24Å; A133-A139 WeakPolarHBondContact O-CB 3.38Å; L134-A139 HydrophobicContact CD2-CB 4.17Å; S136-A139 PolarHBondContact O-N 3.03Å; A139-Q161 VanDerWaalsContact O-CG 3.25Å; A139-Q161 WeakPolarHBondContact O-CG 3.38Å; A139-V165 HydrophobicContact CB-CG1 4.35Å; A139-A169 HydrophobicContact CB-CB 3.89Å
140C89.6Confident79.6Confident1 Ų153.1 Ų53.11%0.00728%0.282CS..  trans-142.499.3-178.2-166.40000111.4S136 A137 I142 C158S136-C140 CarbonylContact C-O 3.05Å; S136-C140 WeakPolarHBondContact CA-O 3.48Å; S136-C140 PolarHBondContact O-N 2.77Å; A137-C140 PolarHBondContact N-O 2.92Å; C140-I142 PolarHBondContact O-N 3.22Å; C140-C158 HydrophobicContact CB-CB 3.67Å; C140-C158 WeakPolarHBondContact CB-SG 3.46Å; C140-C158 WeakPolarHBondContact SG-CB 3.34Å; C140-C158 CovalentContact SG-SG 2.03Å; C140-C158 PolarHBondContact SG-SG 3.02Å
141D82.3Confident79.1Confident124 Ų12455.8 Ų55.866%0.66329%0.294SS*.THydrogen-bonded Turntrans-826-176.1-60.2-23.8000113.9A137A137-D141 WeakPolarHBondContact CA-OD1 3.49Å; A137-D141 WeakPolarHBondContact CB-OD1 3.36Å
142I74.7Confident78.5Confident104 Ų10459.1 Ų59.153%0.53332%0.322SS..THydrogen-bonded Turntrans-77.6-26.1-177.4-58.4172.7000111.1C140 L157C140-I142 PolarHBondContact O-N 3.22Å; I142-L157 HydrophobicContact CD1-CB 4.34Å; I142-L157 HydrophobicContact CG2-CD1 4.09Å
143I64.9Low78.2Confident25 Ų2562.7 Ų62.713%0.12834%0.339CS..SBendtrans-112.8127.3-171.8-51.8179.8000109.5I149 L157I143-I149 HydrophobicContact CB-CD1 4.01Å; I143-I149 HydrophobicContact CD1-CD1 4.27Å; I143-I149 HydrophobicContact CD1-CG2 3.58Å; I143-I149 HydrophobicContact CG2-CD1 3.59Å; I143-I149 HydrophobicContact CG2-CG1 3.76Å; I143-I149 HydrophobicContact CG2-CG2 4.27Å; I143-L157 HydrophobicContact CD1-CD1 4.29Å; I143-L157 HydrophobicContact CG1-CD1 4.36Å
144P64.4Low77.9Confident92 Ų9262.7 Ų62.760%0.59734%0.339SS*.  trans-56.7142.7176.5-2433.5000112.9E146P144-E146 VanDerWaalsContact C-N 3.27Å; P144-E146 PolarHBondContact O-N 2.88Å
145Q59.2Low77.7Confident114 Ų11468.6 Ų68.653%0.53336%0.362SS..THydrogen-bonded Turntrans-68.7-16.5-167.2-161.5171.46.700115R132R132-Q145 PolarHBondContact NH2-O 2.78Å
146E58.4Low77.6Confident192 Ų19274.9 Ų74.990%0.89739%0.394SS*.THydrogen-bonded Turntrans-100.9-7.2-166.3-63.8-178.1179.900115P144P144-E146 VanDerWaalsContact C-N 3.27Å; P144-E146 PolarHBondContact O-N 2.88Å
147E61.6Low77.5Confident141 Ų14178.6 Ų78.666%0.65941%0.414SS*.SBendtrans-98.6145.6-179.7-67.7-171.5-174.800112.7I149E147-I149 WeakPolarHBondContact O-CG1 3.39Å; E147-I149 PolarHBondContact O-N 3.11Å
148I62Low77.7Confident103 Ų10377.2 Ų77.253%0.52840%0.402SS..  trans-68.6106.8168.8-62.9175.8000107.6P150 W307I148-P150 WeakPolarHBondContact O-CD 3.23Å; I148-W307 VanDerWaalsContact CD1-CD1 3.45Å; I148-W307 HydrophobicContact CD1-CG 4.17Å
149I65.4Low77.8Confident21 Ų2175.5 Ų75.511%0.10839%0.392CS..  trans-74.8122.8-171.9-52.6-179.6000110.2C135 I143 E147 Q151 C154C135-I149 HydrophobicContact CB-CB 4.44Å; C135-I149 HydrophobicContact CB-CD1 3.77Å; C135-I149 HydrophobicContact CB-CG2 4.26Å; C135-I149 WeakPolarHBondContact O-CD1 3.43Å; I143-I149 HydrophobicContact CB-CD1 4.01Å; I143-I149 HydrophobicContact CD1-CD1 4.27Å; I143-I149 HydrophobicContact CD1-CG2 3.58Å; I143-I149 HydrophobicContact CG2-CD1 3.59Å; I143-I149 HydrophobicContact CG2-CG1 3.76Å; I143-I149 HydrophobicContact CG2-CG2 4.27Å; E147-I149 WeakPolarHBondContact O-CG1 3.39Å; E147-I149 PolarHBondContact O-N 3.11Å; I149-Q151 PolarHBondContact O-N 3.46Å; I149-C154 HydrophobicContact CG2-CB 4.15Å
150P74Confident77.9Confident72 Ų7280.2 Ų80.247%0.46841%0.413SS..  trans-63125.2170.5-20.933.5000110.1I148 A152 H153 C154I148-P150 WeakPolarHBondContact O-CD 3.23Å; P150-A152 PolarHBondContact O-N 2.85Å; P150-H153 PolarHBondContact O-N 2.91Å; P150-C154 PolarHBondContact O-N 2.65Å
151Q79.4Confident78.1Confident62 Ų6282.9 Ų82.929%0.2943%0.425SS..Hα-helixtrans-53.6-33.5-176.8-64.1178.3-4.500113E129 I149 H153 C154 R155E129-Q151 HydrophobicContact CG-CB 4.14Å; I149-Q151 PolarHBondContact O-N 3.46Å; Q151-H153 PolarHBondContact O-N 2.61Å; Q151-C154 PolarHBondContact O-N 2.95Å; Q151-R155 WeakPolarHBondContact O-CG 3.36Å; Q151-R155 PolarHBondContact O-N 3.31Å
152A81.4Confident78.7Confident70 Ų7079.2 Ų79.258%0.57941%0.409SS*.Hα-helixtrans-62.5-40.7177.500000113P150 L156P150-A152 PolarHBondContact O-N 2.85Å; A152-L156 PolarHBondContact O-N 3.45Å
153H84.4Confident79.7Confident103 Ų10374.8 Ų74.848%0.47739%0.385SS..Hα-helixtrans-68.8-42.2176.2-65.5133.1000111.1P150 Q151 R155 L156 L157P150-H153 PolarHBondContact O-N 2.91Å; Q151-H153 PolarHBondContact O-N 2.61Å; H153-R155 PolarHBondContact O-N 2.86Å; H153-L156 PolarHBondContact O-N 3.49Å; H153-L157 WeakPolarHBondContact O-CB 3.48Å; H153-L157 WeakPolarHBondContact O-CG 3.46Å; H153-L157 PolarHBondContact O-N 3.19Å
154C88.6Confident81.2Confident0 Ų079.1 Ų79.10%041%0.405CS..Hα-helixtrans-57.8-47.8175.4179.20000111.5W128 C135 I149 P150 Q151 L156 L157 C158W128-C154 VanDerWaalsContact CH2-O 3.29Å; W128-C154 WeakPolarHBondContact CH2-O 3.45Å; W128-C154 WeakPolarHBondContact CZ3-SG 3.14Å; C135-C154 WeakPolarHBondContact CA-SG 3.38Å; C135-C154 HydrophobicContact CB-CB 3.69Å; C135-C154 WeakPolarHBondContact CB-SG 3.44Å; C135-C154 WeakPolarHBondContact SG-CB 3.31Å; C135-C154 CovalentContact SG-SG 2.02Å; C135-C154 PolarHBondContact SG-SG 2.85Å; I149-C154 HydrophobicContact CG2-CB 4.15Å; P150-C154 PolarHBondContact O-N 2.65Å; Q151-C154 PolarHBondContact O-N 2.95Å; C154-L156 VanDerWaalsContact C-N 3.26Å; C154-L156 PolarHBondContact O-N 3.03Å; C154-L157 PolarHBondContact O-N 3.1Å; C154-C158 WeakPolarHBondContact O-CB 3.28Å; C154-C158 PolarHBondContact O-N 2.93Å
155R89.9Confident82.7Confident123 Ų12376.1 Ų76.146%0.46439%0.385SS..Hα-helixtrans-54.3-42.7176.1-76.1-175-174.7151.25.6112.6W128 E129 Q151 H153 S159W128-R155 HydrophobicContact CZ2-CB 4.49Å; W128-R155 HydrophobicContact CZ2-CG 4.36Å; E129-R155 HydrophobicContact CB-CG 3.59Å; E129-R155 HydrophobicContact CG-CG 3.72Å; E129-R155 VanDerWaalsContact CG-NE 3.35Å; E129-R155 IonicContact OE1-CZ 3.16Å; E129-R155 IonicContact OE1-NE 2.93Å; E129-R155 PolarHBondContact OE1-NE 3.04Å; E129-R155 IonicContact OE1-NH2 2.62Å; E129-R155 PolarHBondContact OE1-NH2 3.3Å; E129-R155 IonicContact OE2-NE 3.88Å; Q151-R155 WeakPolarHBondContact O-CG 3.36Å; Q151-R155 PolarHBondContact O-N 3.31Å; H153-R155 PolarHBondContact O-N 2.86Å; R155-S159 VanDerWaalsContact O-CB 3.23Å; R155-S159 WeakPolarHBondContact O-CB 3.19Å; R155-S159 PolarHBondContact O-OG 3.12Å
156L88.1Confident84.5Confident135 Ų13570.7 Ų70.771%0.70736%0.36SS*.Hα-helixtrans-70.2-47.1-178.7-176.664.4000112.2A152 H153 C154A152-L156 PolarHBondContact O-N 3.45Å; H153-L156 PolarHBondContact O-N 3.49Å; C154-L156 VanDerWaalsContact C-N 3.26Å; C154-L156 PolarHBondContact O-N 3.03Å
157L88.9Confident86.4Confident78 Ų7863.9 Ų63.941%0.40833%0.328SS..Hα-helixtrans-90.1-31.9-166.9-62.2174000113.5I142 I143 H153 C154I142-L157 HydrophobicContact CD1-CB 4.34Å; I142-L157 HydrophobicContact CG2-CD1 4.09Å; I143-L157 HydrophobicContact CD1-CD1 4.29Å; I143-L157 HydrophobicContact CG1-CD1 4.36Å; H153-L157 WeakPolarHBondContact O-CB 3.48Å; H153-L157 WeakPolarHBondContact O-CG 3.46Å; H153-L157 PolarHBondContact O-N 3.19Å; C154-L157 PolarHBondContact O-N 3.1Å
158C91.7Very high88Confident1 Ų164.1 Ų64.11%0.00733%0.327CS..Hα-helixtrans-106.8-12.1-168.3-50.60000112.8Q122 W128 C140 C154 Q160 Q161Q122-C158 PolarHBondContact NE2-O 2.64Å; W128-C158 HydrophobicContact CH2-CB 3.93Å; W128-C158 HydrophobicContact CZ3-CB 3.96Å; C140-C158 HydrophobicContact CB-CB 3.67Å; C140-C158 WeakPolarHBondContact CB-SG 3.46Å; C140-C158 WeakPolarHBondContact SG-CB 3.34Å; C140-C158 CovalentContact SG-SG 2.03Å; C140-C158 PolarHBondContact SG-SG 3.02Å; C154-C158 WeakPolarHBondContact O-CB 3.28Å; C154-C158 PolarHBondContact O-N 2.93Å; C158-Q160 PolarHBondContact O-N 3.11Å; C158-Q161 WeakPolarHBondContact O-CG 3.26Å; C158-Q161 PolarHBondContact O-N 3.44Å
159S93.2Very high89.6Confident21 Ų2159.2 Ų59.215%0.14730%0.302CS..THydrogen-bonded Turntrans-53.5-19.1-166.355.70000118.7S123 W128 R155S123-S159 WeakPolarHBondContact CB-O 3.46Å; S123-S159 PolarHBondContact N-O 2.87Å; S123-S159 PolarHBondContact OG-O 2.89Å; W128-S159 VanDerWaalsContact CZ2-CA 3.48Å; R155-S159 VanDerWaalsContact O-CB 3.23Å; R155-S159 WeakPolarHBondContact O-CB 3.19Å; R155-S159 PolarHBondContact O-OG 3.12Å
160Q93.8Very high91.2Very high102 Ų10258.2 Ų58.248%0.47730%0.297SS..THydrogen-bonded Turntrans-98.80.5-169-54-56.3-54.100114.6C158C158-Q160 PolarHBondContact O-N 3.11Å
161Q94.1Very high92.3Very high57 Ų5759.4 Ų59.427%0.26630%0.296SS..  trans-62.5135.6-179.2-60.5-61.6-21.400111.4R121 Q122 A139 C158 V165R121-Q161 CarbonylContact C-O 3.4Å; R121-Q161 VanDerWaalsContact CA-O 3.27Å; R121-Q161 WeakPolarHBondContact CA-O 3.3Å; Q122-Q161 HydrophobicContact CB-CB 4.49Å; Q122-Q161 HydrophobicContact CG-CB 4.08Å; Q122-Q161 PolarHBondContact N-O 3.44Å; A139-Q161 VanDerWaalsContact O-CG 3.25Å; A139-Q161 WeakPolarHBondContact O-CG 3.38Å; C158-Q161 WeakPolarHBondContact O-CG 3.26Å; C158-Q161 PolarHBondContact O-N 3.44Å; Q161-V165 HydrophobicContact CB-CB 4.41Å; Q161-V165 HydrophobicContact CB-CG1 4.21Å
162P95.4Very high93Very high48 Ų4859.8 Ų59.831%0.31231%0.305SS..BIsolated β-bridgetrans-78.4165-177.837.4-39.5000111.3R120 E164 V165 V166R120-P162 WeakPolarHBondContact O-CA 3.13Å; P162-E164 VanDerWaalsContact C-N 3.26Å; P162-E164 WeakPolarHBondContact CB-OE2 3.25Å; P162-E164 PolarHBondContact O-N 2.81Å; P162-V165 HydrophobicContact CG-CB 4.38Å; P162-V165 HydrophobicContact CG-CG2 3.86Å; P162-V165 WeakPolarHBondContact O-CB 3.02Å; P162-V165 PolarHBondContact O-N 2.64Å; P162-V166 PolarHBondContact O-N 3.47Å
163F95.8Very high93.7Very high10 Ų1057.2 Ų57.24%0.04428%0.281CS..Hα-helixtrans-62.6-30.7-176.2-85.110.9000113.4M108 F111 M115 R120 R121 L125 V165 V166 E167M108-F163 HydrophobicContact CB-CB 4.16Å; M108-F163 HydrophobicContact CB-CD2 3.63Å; M108-F163 HydrophobicContact CB-CE2 4.22Å; M108-F163 HydrophobicContact CB-CG 4.01Å; M108-F163 WeakPolarHBondContact O-CD2 3.43Å; F111-F163 HydrophobicContact CB-CE2 3.96Å; F111-F163 HydrophobicContact CD2-CE2 4.02Å; F111-F163 HydrophobicContact CD2-CZ 4.38Å; F111-F163 HydrophobicContact CG-CE2 4.35Å; M115-F163 HydrophobicContact CE-CZ 4.15Å; M115-F163 HydrophobicContact SD-CZ 4.18Å; R120-F163 HydrophobicContact CB-CB 4.13Å; R120-F163 HydrophobicContact CB-CD1 3.73Å; R120-F163 HydrophobicContact CB-CD2 3.56Å; R120-F163 HydrophobicContact CB-CE1 3.99Å; R120-F163 HydrophobicContact CB-CE2 3.8Å; R120-F163 HydrophobicContact CB-CG 3.52Å; R120-F163 HydrophobicContact CB-CZ 4.02Å; R120-F163 HydrophobicContact CG-CD2 3.81Å; R120-F163 HydrophobicContact CG-CE2 3.87Å; R120-F163 HydrophobicContact CG-CG 4.28Å; R120-F163 HydrophobicContact CG-CZ 4.42Å; R121-F163 VanDerWaalsContact O-CE1 3.23Å; R121-F163 WeakPolarHBondContact O-CE1 3.43Å; L125-F163 HydrophobicContact CD1-CE1 4.22Å; L125-F163 HydrophobicContact CD2-CE1 4.2Å; L125-F163 HydrophobicContact CD2-CZ 3.85Å; L125-F163 HydrophobicContact CG-CE1 3.87Å; L125-F163 HydrophobicContact CG-CZ 4.02Å; F163-V165 PolarHBondContact O-N 2.95Å; F163-V166 HydrophobicContact CD1-CG2 4.42Å; F163-V166 CarbonylContact O-C 3.56Å; F163-V166 WeakPolarHBondContact O-CA 3.48Å; F163-V166 VanDerWaalsContact O-CB 3.3Å; F163-V166 WeakPolarHBondContact O-CB 3.37Å; F163-V166 PolarHBondContact O-N 3.14Å; F163-E167 WeakPolarHBondContact O-CG 3.25Å; F163-E167 PolarHBondContact O-N 2.82Å
164E95.6Very high94.3Very high116 Ų11654.1 Ų54.154%0.54227%0.271SS..Hα-helixtrans-61.1-29.8175.8-59.181.317700111.7P162 K168P162-E164 VanDerWaalsContact C-N 3.26Å; P162-E164 WeakPolarHBondContact CB-OE2 3.25Å; P162-E164 PolarHBondContact O-N 2.81Å; E164-K168 WeakPolarHBondContact O-CB 3.36Å; E164-K168 WeakPolarHBondContact O-CD 3.45Å; E164-K168 WeakPolarHBondContact O-CG 3.47Å; E164-K168 PolarHBondContact O-N 3.39Å; E164-K168 VanDerWaalsContact O-N 3.14Å
165V95.9Very high94.8Very high30 Ų3054.7 Ų54.718%0.18227%0.273CS..Hα-helixtrans-74.7-38.5173.2171.30000110.7A139 Q161 P162 F163 K168 A169A139-V165 HydrophobicContact CB-CG1 4.35Å; Q161-V165 HydrophobicContact CB-CB 4.41Å; Q161-V165 HydrophobicContact CB-CG1 4.21Å; P162-V165 HydrophobicContact CG-CB 4.38Å; P162-V165 HydrophobicContact CG-CG2 3.86Å; P162-V165 WeakPolarHBondContact O-CB 3.02Å; P162-V165 PolarHBondContact O-N 2.64Å; F163-V165 PolarHBondContact O-N 2.95Å; V165-K168 PolarHBondContact O-N 2.8Å; V165-A169 WeakPolarHBondContact O-CB 3.41Å; V165-A169 PolarHBondContact O-N 3.41Å
166V97Very high95.2Very high0 Ų048.8 Ų48.80%025%0.251CS..Hα-helixtrans-61.5-44.3174.2175.70000111.4F71 M108 Q122 L125 L134 P162 F163 A169 C170F71-V166 HydrophobicContact CE2-CG1 4.23Å; F71-V166 HydrophobicContact CZ-CG1 3.85Å; M108-V166 HydrophobicContact CE-CG1 4.06Å; M108-V166 HydrophobicContact CG-CB 4.5Å; M108-V166 HydrophobicContact CG-CG1 3.95Å; M108-V166 HydrophobicContact SD-CG1 4.05Å; Q122-V166 HydrophobicContact CB-CG2 3.72Å; L125-V166 HydrophobicContact CD1-CG1 4.01Å; L125-V166 HydrophobicContact CD1-CG2 4.49Å; L134-V166 HydrophobicContact CD2-CB 4.41Å; L134-V166 HydrophobicContact CD2-CG1 4.02Å; L134-V166 HydrophobicContact CD2-CG2 4.11Å; P162-V166 PolarHBondContact O-N 3.47Å; F163-V166 HydrophobicContact CD1-CG2 4.42Å; F163-V166 CarbonylContact O-C 3.56Å; F163-V166 WeakPolarHBondContact O-CA 3.48Å; F163-V166 VanDerWaalsContact O-CB 3.3Å; F163-V166 WeakPolarHBondContact O-CB 3.37Å; F163-V166 PolarHBondContact O-N 3.14Å; V166-A169 WeakPolarHBondContact O-CB 3.21Å; V166-A169 PolarHBondContact O-N 3.49Å; V166-C170 WeakPolarHBondContact O-CB 3.47Å; V166-C170 PolarHBondContact O-N 2.86Å
167E97.5Very high95.7Very high49 Ų4942.4 Ų42.423%0.22922%0.217CC..Hα-helixtrans-64.7-45.5177.8-66.3179.716200111.4C106 M108 F163 A169 C170 H171C106-E167 VanDerWaalsContact O-CG 3.25Å; C106-E167 WeakPolarHBondContact O-CG 3.34Å; M108-E167 HydrophobicContact CB-CG 3.84Å; M108-E167 WeakPolarHBondContact CB-OE1 3.25Å; M108-E167 HydrophobicContact CG-CG 3.49Å; M108-E167 VanDerWaalsContact CG-CG 3.49Å; M108-E167 PolarHBondContact N-OE1 2.88Å; F163-E167 WeakPolarHBondContact O-CG 3.25Å; F163-E167 PolarHBondContact O-N 2.82Å; E167-A169 VanDerWaalsContact C-N 3.31Å; E167-A169 PolarHBondContact O-N 3.05Å; E167-C170 WeakPolarHBondContact O-CB 3.46Å; E167-C170 PolarHBondContact O-N 3.28Å; E167-H171 PolarHBondContact O-CD2 3.04Å; E167-H171 PolarHBondContact O-N 3.15Å
168K96.3Very high96.2Very high146 Ų14638.7 Ų38.764%0.63520%0.198SC*.Hα-helixtrans-58.6-43173.4-76.2171.9-172.8178.40111.9E164 V165 S172E164-K168 WeakPolarHBondContact O-CB 3.36Å; E164-K168 WeakPolarHBondContact O-CD 3.45Å; E164-K168 WeakPolarHBondContact O-CG 3.47Å; E164-K168 PolarHBondContact O-N 3.39Å; E164-K168 VanDerWaalsContact O-N 3.14Å; V165-K168 PolarHBondContact O-N 2.8Å; K168-S172 PolarHBondContact O-N 2.63Å
169A95.9Very high96.5Very high0 Ų038.7 Ų38.70%020%0.198CC..Hα-helixtrans-60.8-53.8174.500000110.1F71 P138 A139 V165 V166 E167 H171 S172 Y173F71-A169 HydrophobicContact CE2-CB 4.4Å; P138-A169 HydrophobicContact CG-CB 4Å; A139-A169 HydrophobicContact CB-CB 3.89Å; V165-A169 WeakPolarHBondContact O-CB 3.41Å; V165-A169 PolarHBondContact O-N 3.41Å; V166-A169 WeakPolarHBondContact O-CB 3.21Å; V166-A169 PolarHBondContact O-N 3.49Å; E167-A169 VanDerWaalsContact C-N 3.31Å; E167-A169 PolarHBondContact O-N 3.05Å; A169-H171 VanDerWaalsContact C-N 3.3Å; A169-H171 PolarHBondContact O-N 2.97Å; A169-S172 WeakPolarHBondContact O-CB 3.31Å; A169-S172 PolarHBondContact O-N 3.39Å; A169-S172 PolarHBondContact O-OG 3.19Å; A169-Y173 WeakPolarHBondContact O-CD2 3.18Å
170C97.7Very high96.7Very high0 Ų037.7 Ų37.70%019%0.191CC..Hα-helixtrans-50.2-47.1177.9-176.70000112.8F71 C106 M108 V166 E167 S172 Y173F71-C170 HydrophobicContact CD1-CB 3.9Å; F71-C170 VanDerWaalsContact CD2-CA 3.44Å; F71-C170 HydrophobicContact CD2-CB 3.83Å; F71-C170 HydrophobicContact CE1-CB 3.83Å; F71-C170 HydrophobicContact CE2-CB 3.76Å; F71-C170 HydrophobicContact CG-CB 3.89Å; F71-C170 HydrophobicContact CZ-CB 3.76Å; C106-C170 VanDerWaalsContact CA-SG 3.55Å; C106-C170 HydrophobicContact CB-CB 3.56Å; C106-C170 WeakPolarHBondContact CB-SG 3.17Å; C106-C170 WeakPolarHBondContact SG-CB 3.49Å; C106-C170 CovalentContact SG-SG 2.03Å; C106-C170 PolarHBondContact SG-SG 3.02Å; M108-C170 HydrophobicContact CE-CB 4.39Å; V166-C170 WeakPolarHBondContact O-CB 3.47Å; V166-C170 PolarHBondContact O-N 2.86Å; E167-C170 WeakPolarHBondContact O-CB 3.46Å; E167-C170 PolarHBondContact O-N 3.28Å; C170-S172 PolarHBondContact O-N 2.94Å; C170-Y173 PolarHBondContact O-N 3.2Å
171H96.8Very high96.9Very high97 Ų9732.9 Ų32.945%0.44917%0.169SC..Hα-helixtrans-66.9-18.9177.4-75.5-52.6000115.1H44 C106 E167 A169H44-H171 PolarHBondContact CE1-O 2.95Å; H44-H171 AromaticContact NE2-ND1 3.75Å; C106-H171 VanDerWaalsContact CB-CE1 3.45Å; C106-H171 WeakPolarHBondContact CB-CE1 3.1Å; E167-H171 PolarHBondContact O-CD2 3.04Å; E167-H171 PolarHBondContact O-N 3.15Å; A169-H171 VanDerWaalsContact C-N 3.3Å; A169-H171 PolarHBondContact O-N 2.97Å
172S95.8Very high97Very high70 Ų7030.5 Ų30.549%0.4916%0.157SC..Hα-helixtrans-83-20.418073.50000114K168 A169 C170K168-S172 PolarHBondContact O-N 2.63Å; A169-S172 WeakPolarHBondContact O-CB 3.31Å; A169-S172 PolarHBondContact O-N 3.39Å; A169-S172 PolarHBondContact O-OG 3.19Å; C170-S172 PolarHBondContact O-N 2.94Å
173Y96.1Very high96.9Very high15 Ų1528.5 Ų28.56%0.05914%0.143CC..SBendtrans-90.2150.5180-69.7-90000111.4H44 P68 F71 A133 A137 A169 C170H44-Y173 PolarHBondContact CE1-O 2.92Å; H44-Y173 PolarHBondContact ND1-O 3.16Å; P68-Y173 WeakPolarHBondContact O-CD1 3.34Å; P68-Y173 WeakPolarHBondContact O-CE1 3.36Å; F71-Y173 HydrophobicContact CB-CD2 3.83Å; F71-Y173 HydrophobicContact CB-CG 3.98Å; F71-Y173 HydrophobicContact CD2-CD2 4.31Å; A133-Y173 WeakPolarHBondContact CA-OH 3.31Å; A133-Y173 HydrophobicContact CB-CD2 4.09Å; A133-Y173 HydrophobicContact CB-CE1 4.06Å; A133-Y173 HydrophobicContact CB-CE2 3.47Å; A133-Y173 VanDerWaalsContact CB-CE2 3.47Å; A133-Y173 VanDerWaalsContact CB-CZ 3.46Å; A137-Y173 PolarHBondContact O-OH 3.42Å; A169-Y173 WeakPolarHBondContact O-CD2 3.18Å; C170-Y173 PolarHBondContact O-N 3.2Å
174S97Very high96.7Very high38 Ų3829.1 Ų29.127%0.26615%0.146SC..SBendtrans-79.7-23.6179.3630000113.1H44 V45 D69H44-S174 WeakPolarHBondContact CA-O 3.44Å; V45-S174 PolarHBondContact N-O 3.01Å; D69-S174 WeakPolarHBondContact CB-OG 3.46Å; D69-S174 PolarHBondContact O-N 2.98Å; D69-S174 PolarHBondContact O-OG 3.32Å
175H98.4Very high96.2Very high12 Ų1224.2 Ų24.26%0.05612%0.124CC..EExtended strand (participates in β ladder)trans-120.7134-179.8-63.469000111.1V45 D69 V70 F71 V177 V296 L298V45-H175 VanDerWaalsContact CB-CD2 3.49Å; V45-H175 WeakPolarHBondContact CB-CD2 3.42Å; V45-H175 CarbonylContact O-C 3.33Å; V45-H175 VanDerWaalsContact O-CA 3.3Å; V45-H175 WeakPolarHBondContact O-CA 3.43Å; D69-H175 PolarHBondContact O-N 3.37Å; V70-H175 HydrophobicContact CG2-CB 3.83Å; F71-H175 PolarHBondContact N-O 3.28Å; H175-V177 HydrophobicContact CB-CG2 4.37Å; H175-V296 PolarHBondContact NE2-O 3.21Å; H175-L298 WeakPolarHBondContact CE1-CD2 3.49Å; H175-L298 WeakPolarHBondContact ND1-CD2 3.44Å
176V98.6Very high95.5Very high0 Ų023.5 Ų23.50%012%0.119CC..EExtended strand (participates in β ladder)trans-111.3112170.8-178.10000108H44 V45 H46 V47 F71 F104 L178H44-V176 HydrophobicContact CB-CG2 4.28Å; V45-V176 PolarHBondContact O-N 3.32Å; H46-V176 CarbonylContact C-O 3.53Å; H46-V176 WeakPolarHBondContact CA-O 3.27Å; V47-V176 PolarHBondContact N-O 3.38Å; F71-V176 HydrophobicContact CD1-CG1 4.17Å; F71-V176 WeakPolarHBondContact O-CA 3.41Å; F104-V176 HydrophobicContact CD1-CB 4.36Å; F104-V176 HydrophobicContact CD1-CG1 3.9Å; V176-L178 HydrophobicContact CG1-CD2 4.42Å
177V98.8Very high94.7Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-115.3119.1-173.7-175.40000110.2V47 V49 F64 V70 F71 Y72 L73 H175V47-V177 HydrophobicContact CB-CB 4.35Å; V47-V177 HydrophobicContact CB-CG1 4.1Å; V47-V177 HydrophobicContact CB-CG2 3.92Å; V47-V177 HydrophobicContact CG1-CG1 4.37Å; V47-V177 HydrophobicContact CG2-CG2 4.1Å; V47-V177 CarbonylContact O-C 3.6Å; V47-V177 WeakPolarHBondContact O-CA 3.41Å; V49-V177 HydrophobicContact CG2-CG1 4.02Å; F64-V177 HydrophobicContact CB-CB 4.3Å; F64-V177 HydrophobicContact CB-CG1 3.81Å; F64-V177 HydrophobicContact CB-CG2 4.18Å; F64-V177 HydrophobicContact CD1-CG2 4.36Å; F64-V177 HydrophobicContact CD2-CG1 4.25Å; F64-V177 HydrophobicContact CG-CG1 3.97Å; F64-V177 HydrophobicContact CG-CG2 4.43Å; V70-V177 HydrophobicContact CB-CG2 4.44Å; V70-V177 HydrophobicContact CG1-CB 3.86Å; V70-V177 HydrophobicContact CG1-CG2 3.49Å; V70-V177 VanDerWaalsContact CG1-CG2 3.49Å; V70-V177 HydrophobicContact CG2-CG2 4.12Å; F71-V177 PolarHBondContact O-N 3.4Å; Y72-V177 CarbonylContact C-O 3.59Å; Y72-V177 VanDerWaalsContact CA-O 3.28Å; Y72-V177 WeakPolarHBondContact CA-O 3.47Å; Y72-V177 HydrophobicContact CD2-CB 4.27Å; Y72-V177 HydrophobicContact CD2-CG1 4.11Å; Y72-V177 WeakPolarHBondContact CD2-O 3.38Å; L73-V177 PolarHBondContact N-O 2.82Å; H175-V177 HydrophobicContact CB-CG2 4.37Å
178L98.8Very high94Very high0 Ų026.8 Ų26.80%014%0.135CC..EExtended strand (participates in β ladder)trans-113.2125.6177.3-53.9-177.9000109.1V47 L48 V49 L73 P76 I100 V103 F104 V176V47-L178 PolarHBondContact O-N 2.83Å; L48-L178 CarbonylContact C-O 3.57Å; L48-L178 WeakPolarHBondContact CA-O 3.42Å; L48-L178 HydrophobicContact CD1-CB 4.38Å; V49-L178 PolarHBondContact N-O 3.1Å; L73-L178 HydrophobicContact CB-CD2 3.75Å; L73-L178 HydrophobicContact CD1-CD2 4.31Å; L73-L178 HydrophobicContact CG-CD2 4.36Å; P76-L178 HydrophobicContact CG-CD1 4.47Å; P76-L178 HydrophobicContact CG-CD2 4.43Å; I100-L178 HydrophobicContact CD1-CD1 4.17Å; I100-L178 HydrophobicContact CG2-CD1 4.11Å; V103-L178 HydrophobicContact CB-CD1 4.11Å; V103-L178 HydrophobicContact CG1-CD1 3.82Å; V103-L178 HydrophobicContact CG1-CD2 3.68Å; V103-L178 HydrophobicContact CG1-CG 4.43Å; F104-L178 HydrophobicContact CD1-CD1 3.58Å; F104-L178 HydrophobicContact CD1-CG 3.81Å; F104-L178 HydrophobicContact CD2-CD1 4Å; F104-L178 HydrophobicContact CE1-CB 3.99Å; F104-L178 HydrophobicContact CE1-CD1 3.55Å; F104-L178 HydrophobicContact CE1-CG 3.45Å; F104-L178 VanDerWaalsContact CE1-CG 3.45Å; F104-L178 HydrophobicContact CE2-CD1 3.97Å; F104-L178 HydrophobicContact CG-CD1 3.8Å; F104-L178 HydrophobicContact CZ-CB 4.03Å; F104-L178 HydrophobicContact CZ-CD1 3.74Å; F104-L178 HydrophobicContact CZ-CG 3.9Å; V176-L178 HydrophobicContact CG1-CD2 4.42Å
179K98.5Very high93.5Very high2 Ų219.9 Ų19.91%0.00911%0.105CC..EExtended strand (participates in β ladder)trans-92.8124.9170.2176.2-84.5-167.5-176.30109.4V49 S57 Y72 L73 M74 E75 V181V49-K179 HydrophobicContact CB-CB 4.16Å; V49-K179 HydrophobicContact CB-CG 4.35Å; V49-K179 HydrophobicContact CG1-CG 4.23Å; S57-K179 WeakPolarHBondContact OG-CE 3.49Å; S57-K179 PolarHBondContact OG-NZ 3.4Å; Y72-K179 HydrophobicContact CE2-CB 3.72Å; Y72-K179 WeakPolarHBondContact OH-CB 3.41Å; L73-K179 PolarHBondContact O-N 3.08Å; M74-K179 HydrophobicContact CG-CD 4.27Å; E75-K179 VanDerWaalsContact CA-O 3.23Å; E75-K179 WeakPolarHBondContact CA-O 2.99Å; E75-K179 VanDerWaalsContact CD-NZ 3.31Å; E75-K179 HydrophobicContact CG-CD 3.69Å; E75-K179 PolarHBondContact N-O 2.99Å; E75-K179 IonicContact OE1-NZ 2.57Å; E75-K179 PolarHBondContact OE1-NZ 2.81Å; K179-V181 VanDerWaalsContact NZ-CG1 3.31Å
180E97.6Very high93.3Very high0 Ų023.6 Ų23.60%012%0.119CC..EExtended strand (participates in β ladder)trans-135.4144.5-177.9-82.1-60.1167.400115L48 V49 S51 E75 P76 A77 I100 F183L48-E180 HydrophobicContact CD1-CB 3.87Å; L48-E180 HydrophobicContact CD1-CG 4.03Å; V49-E180 PolarHBondContact O-N 3.43Å; S51-E180 PolarHBondContact N-O 2.76Å; E75-E180 VanDerWaalsContact CA-OE1 3.26Å; E75-E180 WeakPolarHBondContact CA-OE1 3.43Å; P76-E180 WeakPolarHBondContact CD-OE1 3.46Å; P76-E180 WeakPolarHBondContact CG-OE1 3.46Å; A77-E180 VanDerWaalsContact CB-OE1 3.31Å; A77-E180 WeakPolarHBondContact CB-OE1 3.32Å; A77-E180 PolarHBondContact N-OE1 3.24Å; I100-E180 HydrophobicContact CD1-CG 3.6Å; I100-E180 WeakPolarHBondContact CD1-OE1 3.45Å; I100-E180 HydrophobicContact CG1-CG 4.42Å; E180-F183 HydrophobicContact CB-CD2 3.93Å; E180-F183 HydrophobicContact CB-CE2 4.11Å; E180-F183 HydrophobicContact CG-CD2 4.45Å; E180-F183 HydrophobicContact CG-CE2 4.16Å
181V97.2Very high93.2Very high1 Ų126 Ų261%0.00614%0.135CC..  trans-125.9-0.9-179.1-64.70000113.6S51 W53 E75 K179S51-V181 VanDerWaalsContact O-CA 3.3Å; S51-V181 WeakPolarHBondContact O-CA 3.5Å; W53-V181 HydrophobicContact CD2-CB 4.05Å; W53-V181 HydrophobicContact CD2-CG2 3.75Å; W53-V181 VanDerWaalsContact CE2-CG2 3.41Å; W53-V181 HydrophobicContact CE3-CB 4.21Å; W53-V181 HydrophobicContact CE3-CG2 4.32Å; W53-V181 HydrophobicContact CG-CB 4.44Å; W53-V181 HydrophobicContact CG-CG2 4.11Å; W53-V181 HydrophobicContact CH2-CG2 4.23Å; W53-V181 VanDerWaalsContact CH2-O 3.25Å; W53-V181 WeakPolarHBondContact CH2-O 3.4Å; W53-V181 HydrophobicContact CZ2-CB 4.48Å; W53-V181 HydrophobicContact CZ2-CG2 3.72Å; W53-V181 HydrophobicContact CZ3-CB 4.41Å; W53-V181 HydrophobicContact CZ3-CG2 4.48Å; W53-V181 WeakPolarHBondContact CZ3-O 3.34Å; E75-V181 HydrophobicContact CG-CG2 4.1Å; E75-V181 WeakPolarHBondContact OE2-CG2 3.45Å; K179-V181 VanDerWaalsContact NZ-CG1 3.31Å
182R96.1Very high93.1Very high7 Ų721.5 Ų21.53%0.02611%0.114CC..  trans-103.114.6-172.3-71.2171.9177.882.411.6114.1W53 E75 A77 W81 D226W53-R182 HydrophobicContact CH2-CB 4.47Å; W53-R182 HydrophobicContact CH2-CG 3.59Å; W53-R182 HydrophobicContact CZ2-CG 3.52Å; E75-R182 IonicContact OE2-CZ 2.9Å; E75-R182 IonicContact OE2-NH1 3.54Å; E75-R182 PolarHBondContact OE2-NH1 3Å; E75-R182 IonicContact OE2-NH2 3.57Å; A77-R182 HydrophobicContact CB-CB 4.17Å; A77-R182 WeakPolarHBondContact O-CD 3.44Å; W81-R182 HydrophobicContact CD2-CB 4.3Å; W81-R182 VanDerWaalsContact CD2-CD 3.47Å; W81-R182 HydrophobicContact CD2-CG 3.66Å; W81-R182 HydrophobicContact CE3-CG 3.99Å; W81-R182 VanDerWaalsContact CG-CD 3.44Å; W81-R182 HydrophobicContact CG-CG 4.16Å; W81-R182 HydrophobicContact CH2-CG 4.22Å; W81-R182 HydrophobicContact CZ2-CB 3.85Å; W81-R182 HydrophobicContact CZ2-CG 3.85Å; W81-R182 HydrophobicContact CZ3-CG 4.27Å; R182-D226 IonicContact CZ-OD1 3.7Å; R182-D226 IonicContact NE-OD1 2.75Å; R182-D226 IonicContact NH2-OD1 3.38Å; R182-D226 PolarHBondContact NH2-OD1 2.7Å
183F94Very high93Very high5 Ų518.1 Ų18.12%0.0229%0.09CC..  trans-99.9120172.2-75.9-76.1000110.5L48 L50 V96 I100 E180 L189 L192L48-F183 HydrophobicContact CD1-CE2 4.29Å; L48-F183 HydrophobicContact CD2-CD2 4.3Å; L48-F183 HydrophobicContact CD2-CE2 4.19Å; L50-F183 HydrophobicContact CD1-CB 3.57Å; L50-F183 HydrophobicContact CD1-CD2 4.27Å; L50-F183 HydrophobicContact CD1-CG 4.31Å; V96-F183 HydrophobicContact CG1-CD1 4.29Å; V96-F183 HydrophobicContact CG1-CD2 4.48Å; V96-F183 HydrophobicContact CG1-CE1 3.83Å; V96-F183 HydrophobicContact CG1-CE2 4.03Å; V96-F183 HydrophobicContact CG1-CZ 3.69Å; I100-F183 HydrophobicContact CB-CZ 4.12Å; I100-F183 HydrophobicContact CG1-CE2 3.85Å; I100-F183 HydrophobicContact CG1-CZ 3.78Å; I100-F183 HydrophobicContact CG2-CE2 4.39Å; I100-F183 HydrophobicContact CG2-CZ 4.22Å; E180-F183 HydrophobicContact CB-CD2 3.93Å; E180-F183 HydrophobicContact CB-CE2 4.11Å; E180-F183 HydrophobicContact CG-CD2 4.45Å; E180-F183 HydrophobicContact CG-CE2 4.16Å; F183-L189 HydrophobicContact CB-CD2 4.35Å; F183-L189 HydrophobicContact CD1-CD2 3.72Å; F183-L189 HydrophobicContact CD1-CG 4.16Å; F183-L189 HydrophobicContact CD2-CD2 4.14Å; F183-L189 HydrophobicContact CE1-CD2 3.94Å; F183-L189 HydrophobicContact CE2-CD2 4.34Å; F183-L189 HydrophobicContact CG-CD2 3.82Å; F183-L189 HydrophobicContact CG-CG 4.44Å; F183-L189 HydrophobicContact CZ-CD2 4.23Å; F183-L192 HydrophobicContact CZ-CD1 4.21Å
184F90.6Very high92.9Very high23 Ų2323.4 Ų23.410%0.10111%0.114CC..  trans-114.9-3.4-176-74.6-97.8000114.5W53 W81 A89 V230 V250 I251 S254W53-F184 HydrophobicContact CH2-CE2 4.01Å; W53-F184 HydrophobicContact CH2-CZ 4.06Å; W53-F184 AromaticContact CZ3-CE2 3.9Å; W53-F184 HydrophobicContact CZ3-CE2 3.9Å; W53-F184 AromaticContact CZ3-CZ 3.55Å; W53-F184 HydrophobicContact CZ3-CZ 3.55Å; W81-F184 HydrophobicContact CH2-CD2 4.36Å; W81-F184 AromaticContact CH2-CE2 3.45Å; W81-F184 HydrophobicContact CH2-CE2 3.45Å; W81-F184 VanDerWaalsContact CH2-CE2 3.45Å; W81-F184 HydrophobicContact CH2-CZ 4.04Å; W81-F184 HydrophobicContact CZ2-CD2 4.27Å; W81-F184 AromaticContact CZ2-CE2 3.73Å; W81-F184 HydrophobicContact CZ2-CE2 3.73Å; A89-F184 HydrophobicContact CB-CD2 4.03Å; A89-F184 HydrophobicContact CB-CE2 4.23Å; A89-F184 HydrophobicContact CB-CG 4.47Å; F184-V230 HydrophobicContact CE1-CG1 4.24Å; F184-V230 HydrophobicContact CE1-CG2 3.85Å; F184-V230 HydrophobicContact CE2-CG2 4.15Å; F184-V230 HydrophobicContact CZ-CG2 3.34Å; F184-V250 HydrophobicContact CD1-CG1 4.02Å; F184-V250 HydrophobicContact CE1-CG1 4.19Å; F184-I251 HydrophobicContact CE1-CG1 4.17Å; F184-S254 VanDerWaalsContact CA-OG 3.3Å; F184-S254 WeakPolarHBondContact CA-OG 3.32Å; F184-S254 WeakPolarHBondContact O-CB 3.07Å; F184-S254 PolarHBondContact O-OG 3.07Å
185N85.1Confident92.9Very high14 Ų1422.6 Ų22.68%0.07511%0.106CC..SBendtrans-152.9156-17757.967.2000110.8Q187 S188N185-Q187 VanDerWaalsContact C-N 3.3Å; N185-Q187 PolarHBondContact O-N 3.24Å; N185-Q187 WeakPolarHBondContact OD1-CB 3.27Å; N185-Q187 PolarHBondContact OD1-N 2.84Å; N185-S188 PolarHBondContact OD1-N 3.08Å; N185-S188 PolarHBondContact OD1-OG 2.89Å
186L80.9Confident92.7Very high14 Ų1427.9 Ų27.97%0.07314%0.142CC..Hα-helixtrans-70.7-24.3176.4-165.378.2000112.5S188 L189 Y190 T261 I262 L265L186-S188 PolarHBondContact O-N 3.19Å; L186-L189 HydrophobicContact CD1-CB 4.02Å; L186-L189 HydrophobicContact CD1-CD1 4.3Å; L186-L189 CarbonylContact O-C 3.51Å; L186-L189 PolarHBondContact O-N 2.93Å; L186-Y190 WeakPolarHBondContact O-CB 3.39Å; L186-Y190 PolarHBondContact O-N 3.39Å; L186-T261 HydrophobicContact CB-CG2 4.19Å; L186-T261 HydrophobicContact CD2-CG2 3.17Å; L186-T261 HydrophobicContact CG-CG2 4.24Å; L186-I262 HydrophobicContact CD1-CD1 3.59Å; L186-I262 HydrophobicContact CD1-CG1 3.96Å; L186-L265 HydrophobicContact CD2-CD1 4.22Å; L186-L265 HydrophobicContact CD2-CD2 4.3Å; L186-L265 HydrophobicContact CD2-CG 4.46Å
187Q81.6Confident92.6Very high117 Ų11729.9 Ų29.955%0.54716%0.156SC..Hα-helixtrans-54.3-30.5-177.7-65.7-174.6-11.600112.9N185 P191N185-Q187 VanDerWaalsContact C-N 3.3Å; N185-Q187 PolarHBondContact O-N 3.24Å; N185-Q187 WeakPolarHBondContact OD1-CB 3.27Å; N185-Q187 PolarHBondContact OD1-N 2.84Å; Q187-P191 WeakPolarHBondContact O-CD 3.28Å; Q187-P191 WeakPolarHBondContact O-CG 3.27Å
188S81.6Confident92.5Very high2 Ų230 Ų301%0.01416%0.157CC..Hα-helixtrans-83.1-30.3177.4-46.80000112.8H93 R97 N185 L186H93-S188 WeakPolarHBondContact CB-OG 3.44Å; R97-S188 WeakPolarHBondContact CD-O 3.01Å; R97-S188 VanDerWaalsContact CG-O 3.29Å; R97-S188 WeakPolarHBondContact CG-O 3.1Å; N185-S188 PolarHBondContact OD1-N 3.08Å; N185-S188 PolarHBondContact OD1-OG 2.89Å; L186-S188 PolarHBondContact O-N 3.19Å
189L87.2Confident92.4Very high1 Ų131.8 Ų31.81%0.00517%0.166CC..Hα-helixtrans-84.9-34.4-178-63.6174.7000112.6L48 L50 F183 L186 L192 L193 I258L48-L189 HydrophobicContact CD2-CD2 3.46Å; L48-L189 VanDerWaalsContact CD2-CD2 3.46Å; L50-L189 HydrophobicContact CD2-CD1 3.59Å; F183-L189 HydrophobicContact CB-CD2 4.35Å; F183-L189 HydrophobicContact CD1-CD2 3.72Å; F183-L189 HydrophobicContact CD1-CG 4.16Å; F183-L189 HydrophobicContact CD2-CD2 4.14Å; F183-L189 HydrophobicContact CE1-CD2 3.94Å; F183-L189 HydrophobicContact CE2-CD2 4.34Å; F183-L189 HydrophobicContact CG-CD2 3.82Å; F183-L189 HydrophobicContact CG-CG 4.44Å; F183-L189 HydrophobicContact CZ-CD2 4.23Å; L186-L189 HydrophobicContact CD1-CB 4.02Å; L186-L189 HydrophobicContact CD1-CD1 4.3Å; L186-L189 CarbonylContact O-C 3.51Å; L186-L189 PolarHBondContact O-N 2.93Å; L189-L192 WeakPolarHBondContact O-CB 3.36Å; L189-L192 PolarHBondContact O-N 3.05Å; L189-L192 VanDerWaalsContact O-N 3.09Å; L189-L193 PolarHBondContact O-N 3.1Å; L189-I258 HydrophobicContact CD1-CD1 4.39Å; L189-I258 HydrophobicContact CD1-CG2 4.27Å
190Y91.8Very high92.4Very high78 Ų7831.7 Ų31.731%0.30617%0.166SC..Hα-helixtrans-59.5-43.5-175.9-178.3-105000113.4L186 L192 L193 K194 L265 L269L186-Y190 WeakPolarHBondContact O-CB 3.39Å; L186-Y190 PolarHBondContact O-N 3.39Å; Y190-L192 VanDerWaalsContact C-N 3.31Å; Y190-L192 PolarHBondContact O-N 3.31Å; Y190-L193 PolarHBondContact O-N 3.34Å; Y190-K194 HydrophobicContact CD1-CD 4.38Å; Y190-K194 HydrophobicContact CE1-CD 3.65Å; Y190-K194 HydrophobicContact CE1-CG 4.47Å; Y190-K194 HydrophobicContact CE2-CD 4.12Å; Y190-K194 HydrophobicContact CE2-CG 4.35Å; Y190-K194 PolarHBondContact O-N 2.93Å; Y190-K194 WeakPolarHBondContact OH-CD 3.43Å; Y190-K194 WeakPolarHBondContact OH-CE 3.43Å; Y190-K194 PolarHBondContact OH-NZ 3.47Å; Y190-L265 HydrophobicContact CD2-CD1 4.07Å; Y190-L265 HydrophobicContact CD2-CD2 3.86Å; Y190-L265 HydrophobicContact CE2-CD1 4.33Å; Y190-L265 HydrophobicContact CE2-CD2 3.63Å; Y190-L269 HydrophobicContact CE2-CD1 4.03Å
191P93.9Very high92.4Very high50 Ų5033.1 Ų33.133%0.32517%0.172SC..Hα-helixtrans-63.1-35.7174.2-21.733.4000112.9Q187 K194 D195Q187-P191 WeakPolarHBondContact O-CD 3.28Å; Q187-P191 WeakPolarHBondContact O-CG 3.27Å; P191-K194 PolarHBondContact O-N 3.12Å; P191-D195 PolarHBondContact O-N 2.92Å; P191-D195 VanDerWaalsContact O-N 3.14Å
192L95Very high92.5Very high2 Ų233.1 Ų33.11%0.0117%0.172CC..Hα-helixtrans-67.5-40.5177.3-57.9177.2000111.5R97 I100 R101 F183 L189 Y190 K194 D195 L198 L200R97-L192 HydrophobicContact CG-CD1 4.16Å; R97-L192 HydrophobicContact CG-CD2 3.72Å; R97-L192 HydrophobicContact CG-CG 3.82Å; I100-L192 HydrophobicContact CG2-CD1 4.05Å; R101-L192 HydrophobicContact CB-CD2 3.71Å; R101-L192 HydrophobicContact CG-CD2 4.13Å; F183-L192 HydrophobicContact CZ-CD1 4.21Å; L189-L192 WeakPolarHBondContact O-CB 3.36Å; L189-L192 PolarHBondContact O-N 3.05Å; L189-L192 VanDerWaalsContact O-N 3.09Å; Y190-L192 VanDerWaalsContact C-N 3.31Å; Y190-L192 PolarHBondContact O-N 3.31Å; L192-K194 VanDerWaalsContact C-N 3.26Å; L192-K194 PolarHBondContact O-N 2.92Å; L192-D195 PolarHBondContact O-N 3.47Å; L192-L198 HydrophobicContact CB-CD1 4.39Å; L192-L198 HydrophobicContact CD2-CD1 4.21Å; L192-L200 HydrophobicContact CB-CD2 3.6Å
193L94Very high92.6Very high0 Ų032.8 Ų32.80%017%0.171CC..Hα-helixtrans-64.3-29.7177.3-79.3169.5000113.2L189 Y190 L200 I202 I262 L265 L269 R272L189-L193 PolarHBondContact O-N 3.1Å; Y190-L193 PolarHBondContact O-N 3.34Å; L193-L200 HydrophobicContact CD2-CD2 4.23Å; L193-L200 HydrophobicContact CD2-CG 4.4Å; L193-L200 HydrophobicContact CG-CD2 4.36Å; L193-I202 HydrophobicContact CD1-CD1 3.93Å; L193-I202 HydrophobicContact CD2-CD1 3.79Å; L193-I202 HydrophobicContact CD2-CG1 4.12Å; L193-I202 HydrophobicContact CG-CD1 3.9Å; L193-I262 HydrophobicContact CD1-CD1 3.9Å; L193-L265 HydrophobicContact CD1-CD1 4.28Å; L193-L269 HydrophobicContact CB-CD2 4.36Å; L193-R272 HydrophobicContact CD2-CB 4.22Å; L193-R272 PolarHBondContact O-NH1 2.9Å
194K94.7Very high92.8Very high125 Ų12532.6 Ų32.654%0.54317%0.17SC..Hα-helixtrans-92.1-8.4179.1-73.3-166116.2172.20114.4Y190 P191 L192 P196 L269Y190-K194 HydrophobicContact CD1-CD 4.38Å; Y190-K194 HydrophobicContact CE1-CD 3.65Å; Y190-K194 HydrophobicContact CE1-CG 4.47Å; Y190-K194 HydrophobicContact CE2-CD 4.12Å; Y190-K194 HydrophobicContact CE2-CG 4.35Å; Y190-K194 PolarHBondContact O-N 2.93Å; Y190-K194 WeakPolarHBondContact OH-CD 3.43Å; Y190-K194 WeakPolarHBondContact OH-CE 3.43Å; Y190-K194 PolarHBondContact OH-NZ 3.47Å; P191-K194 PolarHBondContact O-N 3.12Å; L192-K194 VanDerWaalsContact C-N 3.26Å; L192-K194 PolarHBondContact O-N 2.92Å; K194-P196 WeakPolarHBondContact O-CD 3.42Å; K194-L269 HydrophobicContact CG-CD1 4.17Å
195D96Very high93.1Very high21 Ų2131.5 Ų31.511%0.11217%0.165CC..  trans-68118-175.5-168.9-24.9000110.2R101 P191 L192 S197 L198R101-D195 IonicContact CZ-OD2 3.57Å; R101-D195 IonicContact NE-OD2 2.79Å; R101-D195 PolarHBondContact NE-OD2 3.27Å; R101-D195 IonicContact NH2-OD1 2.72Å; R101-D195 IonicContact NH2-OD2 3.54Å; R101-D195 PolarHBondContact NH2-OD2 3.26Å; P191-D195 PolarHBondContact O-N 2.92Å; P191-D195 VanDerWaalsContact O-N 3.14Å; L192-D195 PolarHBondContact O-N 3.47Å; D195-S197 PolarHBondContact O-N 3.37Å; D195-S197 PolarHBondContact OD1-N 3.47Å; D195-S197 PolarHBondContact OD1-OG 3.23Å; D195-S197 PolarHBondContact OD2-OG 3.46Å; D195-L198 HydrophobicContact CB-CB 4.21Å; D195-L198 HydrophobicContact CB-CD1 4.04Å; D195-L198 HydrophobicContact CB-CG 4.04Å; D195-L198 PolarHBondContact O-N 3.11Å
196P95.2Very high93.8Very high123 Ų12330.9 Ų30.980%0.79916%0.162SC*.THydrogen-bonded Turntrans-66.6-17.8179.929.1-36.6000113.2K194 L198K194-P196 WeakPolarHBondContact O-CD 3.42Å; P196-L198 VanDerWaalsContact C-N 3.26Å
197S95.9Very high94.6Very high43 Ų4331.4 Ų31.430%0.30116%0.163SC..THydrogen-bonded Turntrans-79.5-8.4173.270.30000113.3R101 D195R101-S197 PolarHBondContact NH2-OG 2.96Å; R101-S197 VanDerWaalsContact NH2-OG 3.12Å; D195-S197 PolarHBondContact O-N 3.37Å; D195-S197 PolarHBondContact OD1-N 3.47Å; D195-S197 PolarHBondContact OD1-OG 3.23Å; D195-S197 PolarHBondContact OD2-OG 3.46Å
198L96.9Very high95.4Very high3 Ų326 Ų262%0.01614%0.138CC..  trans-115.5120.4-177.6-60.4-178.3000111.9R101 F104 L105 L192 D195 P196 L200R101-L198 HydrophobicContact CG-CD1 4.34Å; F104-L198 HydrophobicContact CB-CD2 3.78Å; F104-L198 HydrophobicContact CD2-CD1 4.46Å; L105-L198 HydrophobicContact CD2-CD2 3.78Å; L105-L198 HydrophobicContact CG-CD2 4.09Å; L192-L198 HydrophobicContact CB-CD1 4.39Å; L192-L198 HydrophobicContact CD2-CD1 4.21Å; D195-L198 HydrophobicContact CB-CB 4.21Å; D195-L198 HydrophobicContact CB-CD1 4.04Å; D195-L198 HydrophobicContact CB-CG 4.04Å; D195-L198 PolarHBondContact O-N 3.11Å; P196-L198 VanDerWaalsContact C-N 3.26Å; L198-L200 HydrophobicContact CB-CB 4.22Å; L198-L200 PolarHBondContact O-N 3.5Å; L198-L200 VanDerWaalsContact O-N 3.11Å
199N97.1Very high96.2Very high37 Ų3726.3 Ų26.320%0.19814%0.14CC..EExtended strand (participates in β ladder)trans-82.363.2161.1-168.612.8000111M43 H44 H46 H201M43-N199 HydrophobicContact CE-CB 3.82Å; H44-N199 VanDerWaalsContact O-CB 3.32Å; H44-N199 WeakPolarHBondContact O-CB 3.24Å; H46-N199 PolarHBondContact N-O 2.93Å; H46-N199 PolarHBondContact ND1-N 3.49Å; H46-N199 VanDerWaalsContact ND1-N 3.13Å; N199-H201 PolarHBondContact O-ND1 3.17Å; N199-H201 PolarHBondContact OD1-CE1 3.09Å
200L97.8Very high96.7Very high0 Ų026.3 Ų26.30%014%0.14CC..EExtended strand (participates in β ladder)trans-82.2126.6-170.4-178.762.8000113.1H46 L48 F104 L192 L193 L198 I202 R272H46-L200 HydrophobicContact CB-CD1 4.15Å; H46-L200 CarbonylContact O-C 3.58Å; H46-L200 WeakPolarHBondContact O-CA 3.43Å; L48-L200 HydrophobicContact CB-CD1 4.07Å; F104-L200 HydrophobicContact CE2-CD1 3.8Å; F104-L200 HydrophobicContact CZ-CD1 3.76Å; L192-L200 HydrophobicContact CB-CD2 3.6Å; L193-L200 HydrophobicContact CD2-CD2 4.23Å; L193-L200 HydrophobicContact CD2-CG 4.4Å; L193-L200 HydrophobicContact CG-CD2 4.36Å; L198-L200 HydrophobicContact CB-CB 4.22Å; L198-L200 PolarHBondContact O-N 3.5Å; L198-L200 VanDerWaalsContact O-N 3.11Å; L200-I202 HydrophobicContact CD2-CG1 4.39Å; L200-I202 HydrophobicContact CG-CG1 4.29Å; L200-R272 WeakPolarHBondContact O-CB 3.5Å; L200-R272 WeakPolarHBondContact O-CD 3.45Å
201H98.4Very high97Very high30 Ų3022.8 Ų22.814%0.13913%0.127CC..EExtended strand (participates in β ladder)trans-114.6138.7166.4-63.675.3000109.6H46 V47 L48 N199 R272 F295 V296H46-H201 PolarHBondContact O-N 2.89Å; V47-H201 CarbonylContact C-O 3.6Å; V47-H201 VanDerWaalsContact CA-O 3.31Å; V47-H201 WeakPolarHBondContact CA-O 3.43Å; L48-H201 PolarHBondContact N-O 3.01Å; N199-H201 PolarHBondContact O-ND1 3.17Å; N199-H201 PolarHBondContact OD1-CE1 3.09Å; H201-R272 CarbonylContact C-O 3.54Å; H201-R272 WeakPolarHBondContact CA-O 3.48Å; H201-F295 HydrophobicContact CB-CE1 3.8Å; H201-F295 HydrophobicContact CB-CZ 4.08Å; H201-F295 AromaticContact CD2-CZ 3.94Å; H201-V296 HydrophobicContact CB-CG1 4.07Å
202I98.3Very high97.2Very high0 Ų020.5 Ų20.50%011%0.112CC..EExtended strand (participates in β ladder)trans-112.2117.9178.7-58.5-179.2000109.1L48 L50 L193 L200 H204 R272 Y273 L274L48-I202 HydrophobicContact CB-CG1 4.33Å; L48-I202 WeakPolarHBondContact O-CA 3Å; L50-I202 HydrophobicContact CB-CG2 3.86Å; L50-I202 HydrophobicContact CD2-CG2 3.98Å; L193-I202 HydrophobicContact CD1-CD1 3.93Å; L193-I202 HydrophobicContact CD2-CD1 3.79Å; L193-I202 HydrophobicContact CD2-CG1 4.12Å; L193-I202 HydrophobicContact CG-CD1 3.9Å; L200-I202 HydrophobicContact CD2-CG1 4.39Å; L200-I202 HydrophobicContact CG-CG1 4.29Å; I202-H204 HydrophobicContact CG2-CB 4.34Å; I202-R272 PolarHBondContact N-O 3.19Å; I202-Y273 HydrophobicContact CB-CD2 3.94Å; I202-Y273 HydrophobicContact CG2-CD2 3.84Å; I202-Y273 HydrophobicContact CG2-CE2 4.15Å; I202-Y273 WeakPolarHBondContact O-CA 3.13Å; I202-L274 PolarHBondContact O-N 3.27Å
203V98.6Very high97.4Very high0 Ų020.6 Ų20.60%011%0.112CC..EExtended strand (participates in β ladder)trans-97.198.8167.2179.20000107.4V47 L48 V49 L50 F64 L205 L274 V276 M292 F295V47-V203 HydrophobicContact CG1-CG2 4.01Å; L48-V203 PolarHBondContact O-N 2.87Å; V49-V203 CarbonylContact C-O 3.57Å; V49-V203 WeakPolarHBondContact CA-O 3.39Å; L50-V203 PolarHBondContact N-O 2.62Å; F64-V203 HydrophobicContact CZ-CG2 4.2Å; V203-L205 PolarHBondContact O-N 3.15Å; V203-L274 CarbonylContact C-O 3.56Å; V203-L274 WeakPolarHBondContact CA-O 3.17Å; V203-V276 HydrophobicContact CG1-CG2 3.85Å; V203-M292 HydrophobicContact CG1-CG 4.26Å; V203-M292 HydrophobicContact CG1-SD 3.79Å; V203-F295 HydrophobicContact CG2-CD1 4.01Å; V203-F295 HydrophobicContact CG2-CE1 3.99Å
204H98Very high97.5Very high1 Ų121.7 Ų21.71%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-90.7103.9-178.6-172-177.5000110.6L50 I202 H255 Y273 L274 L275 V276L50-H204 HydrophobicContact CB-CB 4.5Å; L50-H204 HydrophobicContact CD2-CB 4.35Å; L50-H204 CarbonylContact O-C 3.59Å; L50-H204 WeakPolarHBondContact O-CA 3.3Å; L50-H204 PolarHBondContact O-CD2 2.98Å; I202-H204 HydrophobicContact CG2-CB 4.34Å; H204-H255 AromaticContact CD2-ND1 3.94Å; H204-H255 AromaticContact CE1-ND1 3.59Å; H204-H255 AromaticContact NE2-CE1 3.53Å; H204-H255 AromaticContact NE2-CG 3.95Å; H204-H255 AromaticContact NE2-ND1 2.82Å; H204-H255 PolarHBondContact NE2-ND1 3.34Å; H204-Y273 HydrophobicContact CB-CD2 4.39Å; H204-Y273 HydrophobicContact CB-CE2 3.44Å; H204-Y273 VanDerWaalsContact CB-CE2 3.44Å; H204-Y273 WeakPolarHBondContact CB-OH 3.3Å; H204-Y273 AromaticContact CG-CE2 3.97Å; H204-Y273 AromaticContact CG-CZ 3.99Å; H204-Y273 AromaticContact ND1-CE2 3.68Å; H204-Y273 AromaticContact ND1-CZ 3.57Å; H204-Y273 PolarHBondContact ND1-OH 3.32Å; H204-L274 PolarHBondContact N-O 3.34Å; H204-L275 HydrophobicContact CB-CD1 4.23Å; H204-V276 PolarHBondContact O-N 2.88Å
205L98.4Very high97.5Very high0 Ų016.2 Ų16.20%09%0.094CC..EExtended strand (participates in β ladder)trans-85122176.1-179.272.2000110.9L50 S51 S57 V60 V203 V276L50-L205 PolarHBondContact O-N 3.12Å; S51-L205 WeakPolarHBondContact CB-O 3.16Å; S51-L205 PolarHBondContact OG-O 3.33Å; S57-L205 VanDerWaalsContact CA-CD2 3.5Å; V60-L205 HydrophobicContact CB-CD2 4.35Å; V60-L205 HydrophobicContact CG2-CD1 4.02Å; V60-L205 HydrophobicContact CG2-CD2 3.65Å; V60-L205 HydrophobicContact CG2-CG 4.35Å; V203-L205 PolarHBondContact O-N 3.15Å; L205-V276 CarbonylContact C-O 3.53Å; L205-V276 WeakPolarHBondContact CA-O 3.26Å; L205-V276 HydrophobicContact CD1-CB 4.31Å; L205-V276 HydrophobicContact CD1-CG1 4.02Å
206V97.8Very high97.5Very high1 Ų116.3 Ų16.31%0.0069%0.093CC..EExtended strand (participates in β ladder)trans-110.4152.5167.7-62.70000110.7H255 L275 V276 R277 Y278 L359 W381V206-H255 HydrophobicContact CG1-CB 4.35Å; V206-L275 HydrophobicContact CG1-CD1 3.9Å; V206-L275 HydrophobicContact CG2-CD1 4.3Å; V206-V276 PolarHBondContact N-O 3.31Å; V206-R277 HydrophobicContact CG2-CB 4.46Å; V206-Y278 WeakPolarHBondContact O-CB 3.02Å; V206-Y278 PolarHBondContact O-N 3.31Å; V206-L359 HydrophobicContact CB-CD1 4.11Å; V206-L359 HydrophobicContact CG1-CD1 3.94Å; V206-L359 HydrophobicContact CG1-CD2 4.17Å; V206-L359 HydrophobicContact CG2-CD1 4.44Å; V206-L359 HydrophobicContact CG2-CD2 4.32Å; V206-W381 HydrophobicContact CG2-CH2 4.3Å; V206-W381 HydrophobicContact CG2-CZ2 4.38Å
207R97.9Very high97.5Very high25 Ų2514.3 Ų14.39%0.0947%0.073CC..  trans-139.1152.5178.3-175.3176.6-175.8176.79.4109.5R54 S55 P209 A211 V212 Y278 E279 Y361R54-R207 PolarHBondContact O-NH1 3.41Å; S55-R207 VanDerWaalsContact O-CD 3.27Å; S55-R207 WeakPolarHBondContact O-CD 3.32Å; R207-P209 VanDerWaalsContact O-N 3.13Å; R207-A211 HydrophobicContact CG-CB 4.35Å; R207-V212 HydrophobicContact CB-CG2 3.86Å; R207-V212 HydrophobicContact CG-CG2 4.02Å; R207-Y278 HydrophobicContact CB-CG 4.45Å; R207-Y278 HydrophobicContact CG-CD1 3.91Å; R207-Y278 HydrophobicContact CG-CG 4.04Å; R207-E279 VanDerWaalsContact CG-OE1 3.23Å; R207-E279 WeakPolarHBondContact CG-OE1 3.35Å; R207-Y361 WeakPolarHBondContact CA-OH 3.49Å; R207-Y361 PolarHBondContact N-OH 2.86Å
208D98.3Very high97.3Very high5 Ų519.6 Ų19.63%0.0279%0.086CC..  trans-51.7120.4175.9-172.9-38.7000109.8R210 A211 V212 E279 Y361D208-R210 PolarHBondContact O-N 3.15Å; D208-R210 VanDerWaalsContact O-N 3.1Å; D208-R210 WeakPolarHBondContact OD1-CB 3.31Å; D208-R210 WeakPolarHBondContact OD1-CG 3.26Å; D208-R210 IonicContact OD1-CZ 3.61Å; D208-R210 PolarHBondContact OD1-N 3.42Å; D208-R210 IonicContact OD1-NE 2.63Å; D208-R210 PolarHBondContact OD1-NE 3.22Å; D208-R210 IonicContact OD1-NH2 3.98Å; D208-R210 IonicContact OD2-CZ 3.13Å; D208-R210 IonicContact OD2-NE 2.64Å; D208-R210 PolarHBondContact OD2-NE 3.25Å; D208-R210 IonicContact OD2-NH2 2.81Å; D208-R210 PolarHBondContact OD2-NH2 2.83Å; D208-A211 HydrophobicContact CB-CB 4.2Å; D208-A211 WeakPolarHBondContact O-CA 3.36Å; D208-A211 WeakPolarHBondContact O-CB 3.21Å; D208-A211 PolarHBondContact O-N 2.87Å; D208-V212 PolarHBondContact O-N 3.41Å; D208-E279 WeakPolarHBondContact CB-OE1 3.25Å; D208-E279 PolarHBondContact N-OE1 2.91Å; D208-Y361 HydrophobicContact CB-CD1 3.86Å; D208-Y361 HydrophobicContact CB-CE1 3.67Å; D208-Y361 VanDerWaalsContact N-CZ 3.3Å; D208-Y361 PolarHBondContact N-OH 2.91Å; D208-Y361 VanDerWaalsContact N-OH 3.07Å
209P98.4Very high97.1Very high8 Ų819.5 Ų19.55%0.0529%0.086CC..Hα-helixtrans-60.6-25.8-175.922.1-32.1000112.4R207 V212 F213 M248 C352 M356R207-P209 VanDerWaalsContact O-N 3.13Å; P209-V212 PolarHBondContact O-N 2.87Å; P209-F213 VanDerWaalsContact O-CB 3.26Å; P209-F213 WeakPolarHBondContact O-CB 3.38Å; P209-F213 PolarHBondContact O-N 3.2Å; P209-M248 HydrophobicContact CB-CE 3.66Å; P209-M248 WeakPolarHBondContact O-CE 3.26Å; P209-C352 HydrophobicContact CB-CB 4.09Å; P209-C352 HydrophobicContact CG-CB 3.98Å; P209-M356 HydrophobicContact CG-CG 3.43Å; P209-M356 VanDerWaalsContact CG-CG 3.43Å; P209-M356 HydrophobicContact CG-SD 3.77Å
210R98.6Very high96.8Very high0 Ų023.3 Ų23.30%010%0.1CC..Hα-helixtrans-67.4-39.2174.9-57167-69.3-1632.3111.3D208 R214 W336 V345 L348 M356 H362D208-R210 PolarHBondContact O-N 3.15Å; D208-R210 VanDerWaalsContact O-N 3.1Å; D208-R210 WeakPolarHBondContact OD1-CB 3.31Å; D208-R210 WeakPolarHBondContact OD1-CG 3.26Å; D208-R210 IonicContact OD1-CZ 3.61Å; D208-R210 PolarHBondContact OD1-N 3.42Å; D208-R210 IonicContact OD1-NE 2.63Å; D208-R210 PolarHBondContact OD1-NE 3.22Å; D208-R210 IonicContact OD1-NH2 3.98Å; D208-R210 IonicContact OD2-CZ 3.13Å; D208-R210 IonicContact OD2-NE 2.64Å; D208-R210 PolarHBondContact OD2-NE 3.25Å; D208-R210 IonicContact OD2-NH2 2.81Å; D208-R210 PolarHBondContact OD2-NH2 2.83Å; R210-R214 PolarHBondContact O-N 2.94Å; R210-R214 VanDerWaalsContact O-N 3.14Å; R210-W336 HydrophobicContact CB-CB 4.3Å; R210-W336 HydrophobicContact CB-CD2 3.52Å; R210-W336 HydrophobicContact CB-CE3 3.67Å; R210-W336 HydrophobicContact CB-CG 3.82Å; R210-W336 HydrophobicContact CB-CZ2 4.47Å; R210-W336 HydrophobicContact CB-CZ3 4.22Å; R210-W336 VanDerWaalsContact CD-CZ3 3.49Å; R210-W336 HydrophobicContact CG-CD2 4.49Å; R210-W336 HydrophobicContact CG-CE3 4.29Å; R210-W336 HydrophobicContact CG-CZ3 4.38Å; R210-W336 VanDerWaalsContact NE-CH2 3.29Å; R210-W336 VanDerWaalsContact NE-CZ2 3.3Å; R210-W336 WeakPolarHBondContact O-CB 3.4Å; R210-V345 HydrophobicContact CG-CG1 4.24Å; R210-L348 HydrophobicContact CB-CD2 4.23Å; R210-L348 HydrophobicContact CG-CD2 3.97Å; R210-M356 VanDerWaalsContact CZ-CE 3.44Å; R210-H362 PolarHBondContact NH1-O 3.35Å; R210-H362 PolarHBondContact NH2-O 3.49Å; R210-H362 VanDerWaalsContact NH2-O 3.14Å
211A97.9Very high96.6Very high4 Ų426.3 Ų26.33%0.03313%0.132CC..Hα-helixtrans-68-42.2173.400000111.9R207 D208 S215 W336R207-A211 HydrophobicContact CG-CB 4.35Å; D208-A211 HydrophobicContact CB-CB 4.2Å; D208-A211 WeakPolarHBondContact O-CA 3.36Å; D208-A211 WeakPolarHBondContact O-CB 3.21Å; D208-A211 PolarHBondContact O-N 2.87Å; A211-S215 PolarHBondContact O-N 2.92Å; A211-S215 VanDerWaalsContact O-N 3.15Å; A211-W336 HydrophobicContact CB-CG 4.5Å
212V98.1Very high96.4Very high3 Ų330 Ų302%0.01815%0.152CC..Hα-helixtrans-61.3-50.4176176.10000110.3R54 R207 D208 P209 R214 S215 R216 M248R54-V212 HydrophobicContact CB-CG1 4.37Å; R207-V212 HydrophobicContact CB-CG2 3.86Å; R207-V212 HydrophobicContact CG-CG2 4.02Å; D208-V212 PolarHBondContact O-N 3.41Å; P209-V212 PolarHBondContact O-N 2.87Å; V212-R214 PolarHBondContact O-N 3.4Å; V212-S215 CarbonylContact O-C 3.6Å; V212-S215 PolarHBondContact O-N 3.27Å; V212-R216 HydrophobicContact CG1-CG 4.26Å; V212-R216 WeakPolarHBondContact O-CG 3.46Å; V212-R216 PolarHBondContact O-N 2.95Å; V212-M248 HydrophobicContact CB-CE 4.02Å; V212-M248 HydrophobicContact CG1-CE 3.9Å; V212-M248 HydrophobicContact CG1-SD 3.89Å
213F98.3Very high96.3Very high4 Ų430.1 Ų30.12%0.01815%0.153CC..Hα-helixtrans-57.3-50.7-179.8-177.1-97.2000112.3P209 S215 R216 E217 P244 Y245 M248 L340 K344 L348P209-F213 VanDerWaalsContact O-CB 3.26Å; P209-F213 WeakPolarHBondContact O-CB 3.38Å; P209-F213 PolarHBondContact O-N 3.2Å; F213-S215 PolarHBondContact O-N 3.15Å; F213-R216 PolarHBondContact O-N 3.21Å; F213-E217 HydrophobicContact CD1-CG 4.38Å; F213-E217 HydrophobicContact CE1-CG 4.07Å; F213-E217 HydrophobicContact CZ-CG 4.45Å; F213-E217 PolarHBondContact O-N 2.86Å; F213-P244 HydrophobicContact CE2-CB 3.71Å; F213-P244 HydrophobicContact CZ-CB 4.29Å; F213-Y245 HydrophobicContact CE1-CE1 4.5Å; F213-Y245 HydrophobicContact CE2-CD1 4.1Å; F213-Y245 HydrophobicContact CE2-CE1 4Å; F213-Y245 HydrophobicContact CE2-CG 4.43Å; F213-Y245 HydrophobicContact CZ-CD1 4.31Å; F213-Y245 AromaticContact CZ-CE1 3.75Å; F213-Y245 HydrophobicContact CZ-CE1 3.75Å; F213-Y245 HydrophobicContact CZ-CE2 4.15Å; F213-Y245 AromaticContact CZ-CZ 3.66Å; F213-M248 HydrophobicContact CB-CG 4.3Å; F213-M248 HydrophobicContact CB-SD 4.37Å; F213-M248 HydrophobicContact CD2-CG 3.6Å; F213-M248 HydrophobicContact CE2-CG 4.45Å; F213-M248 HydrophobicContact CG-CG 4.44Å; F213-L340 HydrophobicContact CD1-CD1 4.07Å; F213-L340 HydrophobicContact CD1-CD2 4.47Å; F213-K344 HydrophobicContact CE1-CB 4.47Å; F213-K344 HydrophobicContact CE1-CD 4.3Å; F213-L348 HydrophobicContact CB-CD1 4.31Å; F213-L348 HydrophobicContact CB-CD2 3.38Å; F213-L348 HydrophobicContact CB-CG 4.47Å; F213-L348 HydrophobicContact CD1-CD2 4.18Å; F213-L348 HydrophobicContact CD2-CD1 4.04Å; F213-L348 HydrophobicContact CD2-CD2 4.29Å; F213-L348 HydrophobicContact CG-CD1 4.3Å; F213-L348 HydrophobicContact CG-CD2 3.71Å
214R97Very high96.1Very high22 Ų2236.2 Ų36.28%0.08318%0.183CC..Hα-helixtrans-51.4-45.3173.7178.8-158.9-179.8-102.18.5111.6R210 V212 R216 E217 R218 A335 W336 S339 L340R210-R214 PolarHBondContact O-N 2.94Å; R210-R214 VanDerWaalsContact O-N 3.14Å; V212-R214 PolarHBondContact O-N 3.4Å; R214-R216 VanDerWaalsContact C-N 3.34Å; R214-E217 PolarHBondContact O-N 3.5Å; R214-R218 VanDerWaalsContact NH2-CZ 3.3Å; R214-A335 VanDerWaalsContact CZ-CB 3.41Å; R214-A335 PolarHBondContact NE-O 2.8Å; R214-W336 HydrophobicContact CB-CB 4.17Å; R214-S339 WeakPolarHBondContact CD-OG 3.38Å; R214-S339 WeakPolarHBondContact CG-OG 3.34Å; R214-S339 PolarHBondContact NE-OG 3.44Å; R214-L340 HydrophobicContact CB-CD1 3.95Å; R214-L340 HydrophobicContact CB-CD2 4.06Å; R214-L340 HydrophobicContact CB-CG 4.02Å; R214-L340 HydrophobicContact CG-CD2 4.24Å; R214-L340 HydrophobicContact CG-CG 4.3Å
215S95.7Very high96Very high11 Ų1138.2 Ų38.28%0.07719%0.193CC..Hα-helixtrans-71.9-30.6-177.5-169.40000112.7R54 A211 V212 F213 R218 T219R54-S215 VanDerWaalsContact CZ-OG 3.26Å; R54-S215 PolarHBondContact NE-OG 3.19Å; R54-S215 PolarHBondContact NH2-OG 3.37Å; A211-S215 PolarHBondContact O-N 2.92Å; A211-S215 VanDerWaalsContact O-N 3.15Å; V212-S215 CarbonylContact O-C 3.6Å; V212-S215 PolarHBondContact O-N 3.27Å; F213-S215 PolarHBondContact O-N 3.15Å; S215-R218 PolarHBondContact O-N 3.46Å; S215-T219 PolarHBondContact O-OG1 3.35Å
216R96.1Very high96Very high23 Ų2338.6 Ų38.69%0.08720%0.195CC..Hα-helixtrans-70.2-36.3174.2-70.4-177.969.88210.2112R54 V212 F213 R214 R218 T219 K220 L223 S227R54-R216 HydrophobicContact CB-CG 4.21Å; R54-R216 HydrophobicContact CG-CG 3.71Å; V212-R216 HydrophobicContact CG1-CG 4.26Å; V212-R216 WeakPolarHBondContact O-CG 3.46Å; V212-R216 PolarHBondContact O-N 2.95Å; F213-R216 PolarHBondContact O-N 3.21Å; R214-R216 VanDerWaalsContact C-N 3.34Å; R216-R218 PolarHBondContact O-N 3.3Å; R216-T219 WeakPolarHBondContact CA-OG1 3.39Å; R216-T219 CarbonylContact O-C 3.54Å; R216-T219 PolarHBondContact O-N 3.37Å; R216-T219 PolarHBondContact O-OG1 3.46Å; R216-K220 PolarHBondContact O-N 2.88Å; R216-L223 HydrophobicContact CG-CD1 4.24Å; R216-S227 PolarHBondContact NH2-OG 2.94Å
217E93.8Very high95.9Very high80 Ų8039.5 Ų39.537%0.37420%0.202SC..Hα-helixtrans-57.1-33174.3-73.1-165.9120.300112.2F213 R214 L340 K344F213-E217 HydrophobicContact CD1-CG 4.38Å; F213-E217 HydrophobicContact CE1-CG 4.07Å; F213-E217 HydrophobicContact CZ-CG 4.45Å; F213-E217 PolarHBondContact O-N 2.86Å; R214-E217 PolarHBondContact O-N 3.5Å; E217-L340 WeakPolarHBondContact OE2-CD2 3.44Å; E217-K344 IonicContact OE1-NZ 2.69Å; E217-K344 PolarHBondContact OE1-NZ 3.31Å; E217-K344 IonicContact OE2-NZ 3.58Å
218R92.1Very high95.8Very high154 Ų15440.8 Ų40.858%0.58121%0.207SC*.THydrogen-bonded Turntrans-81.6-9.8176.6-63.1-177.5179.5-168.6-7.6114.8R214 S215 R216R214-R218 VanDerWaalsContact NH2-CZ 3.3Å; S215-R218 PolarHBondContact O-N 3.46Å; R216-R218 PolarHBondContact O-N 3.3Å
219T92.6Very high95.8Very high1 Ų140.6 Ų40.61%0.00621%0.205CC..THydrogen-bonded Turntrans-129.326.2-174.850.20000111.4S215 R216 G221 D222 L223 A321 F322S215-T219 PolarHBondContact O-OG1 3.35Å; R216-T219 WeakPolarHBondContact CA-OG1 3.39Å; R216-T219 CarbonylContact O-C 3.54Å; R216-T219 PolarHBondContact O-N 3.37Å; R216-T219 PolarHBondContact O-OG1 3.46Å; T219-G221 VanDerWaalsContact C-N 3.29Å; T219-G221 PolarHBondContact O-N 2.9Å; T219-D222 PolarHBondContact O-N 3.15Å; T219-L223 PolarHBondContact O-N 3.22Å; T219-A321 HydrophobicContact CG2-CB 3.44Å; T219-A321 VanDerWaalsContact CG2-CB 3.44Å; T219-F322 HydrophobicContact CG2-CD2 4.47Å; T219-F322 HydrophobicContact CG2-CE2 3.56Å; T219-F322 HydrophobicContact CG2-CZ 3.77Å
220K91.9Very high95.7Very high117 Ų11740.9 Ų40.951%0.50921%0.207SC..THydrogen-bonded Turntrans-56.5-43-178.2-176.2-177.7175.2-174.50111.5R216 M224 E240R216-K220 PolarHBondContact O-N 2.88Å; K220-M224 PolarHBondContact O-N 3.19Å; K220-E240 IonicContact NZ-OE1 3.34Å; K220-E240 PolarHBondContact NZ-OE1 2.79Å
221G92.6Very high95.5Very high64 Ų6441.3 Ų41.366%0.6621%0.209SC*.THydrogen-bonded Turntrans-65.8-47.3178.300000112.5T219 L223 M224T219-G221 VanDerWaalsContact C-N 3.29Å; T219-G221 PolarHBondContact O-N 2.9Å; G221-L223 VanDerWaalsContact C-N 3.27Å; G221-L223 PolarHBondContact O-N 2.76Å; G221-M224 WeakPolarHBondContact O-CB 3.29Å; G221-M224 PolarHBondContact O-N 3.05Å
222D94.3Very high95.4Very high106 Ų10641.9 Ų41.957%0.56722%0.216SC*.THydrogen-bonded Turntrans-63.6-33.1-178.8-52-65.2000112.7T219 F322T219-D222 PolarHBondContact O-N 3.15Å; D222-F322 HydrophobicContact CB-CE2 3.66Å; D222-F322 HydrophobicContact CB-CZ 3.75Å; D222-F322 WeakPolarHBondContact OD2-CE2 3.22Å
223L95.6Very high95Very high4 Ų449 Ų492%0.02125%0.249CC..THydrogen-bonded Turntrans-102.415.5-176.9-60.5176.8000113.1W53 R54 R216 T219 G221 D226 S227 F322W53-L223 HydrophobicContact CB-CD1 4.1Å; W53-L223 HydrophobicContact CB-CD2 4.18Å; W53-L223 HydrophobicContact CG-CD2 3.81Å; R54-L223 HydrophobicContact CG-CD1 3.88Å; R216-L223 HydrophobicContact CG-CD1 4.24Å; T219-L223 PolarHBondContact O-N 3.22Å; G221-L223 VanDerWaalsContact C-N 3.27Å; G221-L223 PolarHBondContact O-N 2.76Å; L223-D226 PolarHBondContact O-N 2.99Å; L223-S227 VanDerWaalsContact O-CB 3.25Å; L223-S227 WeakPolarHBondContact O-CB 3.21Å; L223-S227 PolarHBondContact O-N 2.79Å; L223-S227 PolarHBondContact O-OG 3.18Å; L223-F322 HydrophobicContact CD2-CZ 4.45Å
224M95.5Very high94.7Very high127 Ų12752.5 Ų52.563%0.62627%0.265SS*.Hα-helixtrans-60.5-49.4-175.7-178-179.467.500111.3K220 G221 S227 R228K220-M224 PolarHBondContact O-N 3.19Å; G221-M224 WeakPolarHBondContact O-CB 3.29Å; G221-M224 PolarHBondContact O-N 3.05Å; M224-S227 PolarHBondContact O-N 2.79Å; M224-R228 WeakPolarHBondContact O-CB 3.49Å; M224-R228 PolarHBondContact O-N 3.47Å
225I96.1Very high94.4Very high43 Ų4353.5 Ų53.522%0.22127%0.271CS..Hα-helixtrans-64-47.4179.7-64.5167.9000110.4M82 K85 S227 R228 I229M82-I225 HydrophobicContact CE-CB 4.33Å; M82-I225 HydrophobicContact CE-CG2 3.9Å; M82-I225 HydrophobicContact SD-CD1 4.02Å; M82-I225 HydrophobicContact SD-CG2 4.09Å; K85-I225 HydrophobicContact CB-CG2 4.21Å; K85-I225 HydrophobicContact CD-CD1 4.04Å; K85-I225 HydrophobicContact CG-CG2 4.17Å; I225-S227 VanDerWaalsContact C-N 3.34Å; I225-S227 PolarHBondContact O-N 2.72Å; I225-R228 WeakPolarHBondContact O-CB 3.23Å; I225-R228 PolarHBondContact O-N 3.48Å; I225-I229 HydrophobicContact CG2-CD1 3.84Å; I225-I229 HydrophobicContact CG2-CG1 4.45Å; I225-I229 WeakPolarHBondContact O-CG1 3.42Å; I225-I229 PolarHBondContact O-N 3.48Å
226D96.8Very high94.1Very high8 Ų861 Ų614%0.04330%0.304CS..Hα-helixtrans-61-44.2179.4-55.1-83.2000111.1W53 W81 R182 L223 R228 I229 V230W53-D226 HydrophobicContact CH2-CB 4.39Å; W53-D226 HydrophobicContact CZ2-CB 3.82Å; W53-D226 WeakPolarHBondContact CZ2-OD1 3.41Å; W81-D226 HydrophobicContact CE3-CB 4.3Å; W81-D226 HydrophobicContact CZ3-CB 4.03Å; R182-D226 IonicContact CZ-OD1 3.7Å; R182-D226 IonicContact NE-OD1 2.75Å; R182-D226 IonicContact NH2-OD1 3.38Å; R182-D226 PolarHBondContact NH2-OD1 2.7Å; L223-D226 PolarHBondContact O-N 2.99Å; D226-R228 VanDerWaalsContact C-N 3.31Å; D226-R228 PolarHBondContact O-N 3.46Å; D226-I229 PolarHBondContact O-N 2.98Å; D226-V230 VanDerWaalsContact O-CG2 3.25Å; D226-V230 WeakPolarHBondContact O-CG2 3.33Å; D226-V230 PolarHBondContact O-N 3.07Å
227S96.8Very high93.9Very high20 Ų2067.4 Ų67.414%0.1433%0.333CS..Hα-helixtrans-61.2-41.1178.1-570000111.5R216 L223 M224 I225 V230 M231R216-S227 PolarHBondContact NH2-OG 2.94Å; L223-S227 VanDerWaalsContact O-CB 3.25Å; L223-S227 WeakPolarHBondContact O-CB 3.21Å; L223-S227 PolarHBondContact O-N 2.79Å; L223-S227 PolarHBondContact O-OG 3.18Å; M224-S227 PolarHBondContact O-N 2.79Å; I225-S227 VanDerWaalsContact C-N 3.34Å; I225-S227 PolarHBondContact O-N 2.72Å; S227-V230 PolarHBondContact O-N 2.88Å; S227-M231 VanDerWaalsContact O-CG 3.31Å; S227-M231 WeakPolarHBondContact O-CG 3.44Å; S227-M231 PolarHBondContact O-N 3.3Å
228R96.3Very high94Very high53 Ų5365.6 Ų65.620%0.233%0.325CS..Hα-helixtrans-62-48.6175.3175.3170.178.8143.310.4112.4K85 Q86 M224 I225 D226 V230 M231 G232 E235K85-R228 PolarHBondContact O-NH2 3.33Å; Q86-R228 VanDerWaalsContact CD-NH2 3.3Å; Q86-R228 VanDerWaalsContact NE2-NH2 3.14Å; Q86-R228 VanDerWaalsContact OE1-CZ 3.3Å; M224-R228 WeakPolarHBondContact O-CB 3.49Å; M224-R228 PolarHBondContact O-N 3.47Å; I225-R228 WeakPolarHBondContact O-CB 3.23Å; I225-R228 PolarHBondContact O-N 3.48Å; D226-R228 VanDerWaalsContact C-N 3.31Å; D226-R228 PolarHBondContact O-N 3.46Å; R228-V230 PolarHBondContact O-N 3.28Å; R228-M231 PolarHBondContact O-N 3.24Å; R228-M231 VanDerWaalsContact O-N 3.15Å; R228-G232 PolarHBondContact O-N 3.43Å; R228-E235 VanDerWaalsContact CD-CD 3.49Å; R228-E235 WeakPolarHBondContact CD-OE1 3.3Å; R228-E235 WeakPolarHBondContact CD-OE2 3.3Å; R228-E235 VanDerWaalsContact CG-CD 3.42Å; R228-E235 VanDerWaalsContact CG-OE1 3.31Å; R228-E235 WeakPolarHBondContact CG-OE1 3.3Å; R228-E235 WeakPolarHBondContact CG-OE2 3.36Å
229I96.8Very high94.1Very high0 Ų064.8 Ų64.80%033%0.326CS..Hα-helixtrans-60-37.4178.2-68.1170000110.8W81 T88 A89 L92 I225 D226 G232W81-I229 HydrophobicContact CB-CD1 4.07Å; W81-I229 HydrophobicContact CD2-CD1 4.07Å; W81-I229 HydrophobicContact CD2-CG2 4.05Å; W81-I229 HydrophobicContact CE3-CB 4.12Å; W81-I229 HydrophobicContact CE3-CD1 3.75Å; W81-I229 HydrophobicContact CE3-CG2 3.88Å; W81-I229 HydrophobicContact CG-CD1 4.26Å; W81-I229 HydrophobicContact CH2-CB 4.44Å; W81-I229 HydrophobicContact CH2-CG2 3.81Å; W81-I229 HydrophobicContact CZ2-CG2 4.04Å; W81-I229 HydrophobicContact CZ3-CB 3.96Å; W81-I229 HydrophobicContact CZ3-CD1 4.44Å; W81-I229 HydrophobicContact CZ3-CG2 3.75Å; T88-I229 WeakPolarHBondContact CA-O 3.27Å; A89-I229 HydrophobicContact CB-CG2 4.24Å; A89-I229 PolarHBondContact N-O 2.93Å; A89-I229 VanDerWaalsContact N-O 3.08Å; L92-I229 HydrophobicContact CD1-CG2 4.23Å; I225-I229 HydrophobicContact CG2-CD1 3.84Å; I225-I229 HydrophobicContact CG2-CG1 4.45Å; I225-I229 WeakPolarHBondContact O-CG1 3.42Å; I225-I229 PolarHBondContact O-N 3.48Å; D226-I229 PolarHBondContact O-N 2.98Å; I229-G232 PolarHBondContact O-N 3.41Å
230V96.7Very high94.2Very high15 Ų1570.8 Ų70.89%0.09135%0.354CS..Hα-helixtrans-67.3-42.3175.4171.70000112.1W81 F184 D226 S227 R228 G232 V247 V250W81-V230 HydrophobicContact CH2-CG2 3.95Å; W81-V230 HydrophobicContact CZ3-CG2 4.23Å; F184-V230 HydrophobicContact CE1-CG1 4.24Å; F184-V230 HydrophobicContact CE1-CG2 3.85Å; F184-V230 HydrophobicContact CE2-CG2 4.15Å; F184-V230 HydrophobicContact CZ-CG2 3.34Å; D226-V230 VanDerWaalsContact O-CG2 3.25Å; D226-V230 WeakPolarHBondContact O-CG2 3.33Å; D226-V230 PolarHBondContact O-N 3.07Å; S227-V230 PolarHBondContact O-N 2.88Å; R228-V230 PolarHBondContact O-N 3.28Å; V230-G232 VanDerWaalsContact C-N 3.34Å; V230-V247 HydrophobicContact CG1-CG1 4.21Å; V230-V247 HydrophobicContact CG1-CG2 4.43Å; V230-V250 HydrophobicContact CG1-CB 3.89Å; V230-V250 HydrophobicContact CG1-CG1 3.76Å; V230-V250 HydrophobicContact CG1-CG2 4.37Å
231M95.8Very high94.3Very high8 Ų871.1 Ų71.14%0.03936%0.358CS..Hα-helixtrans-69.5-33.8176.2-70-173.8-68.100112.3S227 R228 Q233 H234 E235 L238 Q243 Y246 V247S227-M231 VanDerWaalsContact O-CG 3.31Å; S227-M231 WeakPolarHBondContact O-CG 3.44Å; S227-M231 PolarHBondContact O-N 3.3Å; R228-M231 PolarHBondContact O-N 3.24Å; R228-M231 VanDerWaalsContact O-N 3.15Å; M231-Q233 PolarHBondContact O-N 3.33Å; M231-H234 WeakPolarHBondContact O-CB 3.19Å; M231-H234 PolarHBondContact O-N 3.33Å; M231-H234 PolarHBondContact O-ND1 3.18Å; M231-E235 HydrophobicContact CB-CB 4.15Å; M231-E235 HydrophobicContact CE-CB 4.3Å; M231-E235 HydrophobicContact CE-CG 4.04Å; M231-L238 HydrophobicContact SD-CD1 4.24Å; M231-Q243 HydrophobicContact CE-CB 4.3Å; M231-Q243 HydrophobicContact CE-CG 4.25Å; M231-Q243 HydrophobicContact SD-CB 3.59Å; M231-Q243 VanDerWaalsContact SD-CB 3.59Å; M231-Q243 HydrophobicContact SD-CG 3.59Å; M231-Q243 VanDerWaalsContact SD-CG 3.59Å; M231-Y246 HydrophobicContact CG-CD1 3.93Å; M231-Y246 HydrophobicContact CG-CE1 4.39Å; M231-V247 HydrophobicContact CG-CG2 3.6Å; M231-V247 HydrophobicContact SD-CG2 4.01Å
232G94.2Very high94.5Very high17 Ų1770 Ų7018%0.17534%0.337CS..G310 helixtrans52-128.7-175.800000111.2R228 I229 V230 H234 E235R228-G232 PolarHBondContact O-N 3.43Å; I229-G232 PolarHBondContact O-N 3.41Å; V230-G232 VanDerWaalsContact C-N 3.34Å; G232-H234 PolarHBondContact O-N 3.45Å; G232-E235 WeakPolarHBondContact O-CB 3.49Å; G232-E235 PolarHBondContact O-N 2.85Å
233Q90.5Very high94.6Very high151 Ų15167 Ų6771%0.70632%0.319SS*.G310 helixtrans-62.7-13.6-179.6-61.2-178.5-3.900114.6M231M231-Q233 PolarHBondContact O-N 3.33Å
234H92.3Very high94.7Very high78 Ų7869 Ų6936%0.36133%0.332SS..G310 helixtrans-81.8-15.2179.7-6183.4000112.9M231 G232 H236 K237 L238 Y246M231-H234 WeakPolarHBondContact O-CB 3.19Å; M231-H234 PolarHBondContact O-N 3.33Å; M231-H234 PolarHBondContact O-ND1 3.18Å; G232-H234 PolarHBondContact O-N 3.45Å; H234-H236 VanDerWaalsContact C-N 3.33Å; H234-H236 PolarHBondContact O-N 3.11Å; H234-K237 PolarHBondContact O-N 3.47Å; H234-L238 HydrophobicContact CB-CD1 3.92Å; H234-L238 HydrophobicContact CB-CG 4.33Å; H234-L238 VanDerWaalsContact O-CG 3.28Å; H234-L238 WeakPolarHBondContact O-CG 3.4Å; H234-L238 PolarHBondContact O-N 2.68Å; H234-L238 VanDerWaalsContact O-N 3.09Å; H234-Y246 HydrophobicContact CB-CE1 4.11Å; H234-Y246 HydrophobicContact CB-CE2 4.48Å; H234-Y246 PolarHBondContact CE1-OH 2.98Å; H234-Y246 AromaticContact CG-CZ 3.75Å; H234-Y246 AromaticContact ND1-CZ 3.96Å; H234-Y246 PolarHBondContact ND1-OH 2.95Å; H234-Y246 VanDerWaalsContact ND1-OH 3.16Å
235E89.7Confident94.8Very high44 Ų4464.1 Ų64.121%0.20631%0.307CS..THydrogen-bonded Turntrans-51.7-50.3-177.9178.9-177.9-144.500112.1R228 M231 G232 K237 Q243R228-E235 VanDerWaalsContact CD-CD 3.49Å; R228-E235 WeakPolarHBondContact CD-OE1 3.3Å; R228-E235 WeakPolarHBondContact CD-OE2 3.3Å; R228-E235 VanDerWaalsContact CG-CD 3.42Å; R228-E235 VanDerWaalsContact CG-OE1 3.31Å; R228-E235 WeakPolarHBondContact CG-OE1 3.3Å; R228-E235 WeakPolarHBondContact CG-OE2 3.36Å; M231-E235 HydrophobicContact CB-CB 4.15Å; M231-E235 HydrophobicContact CE-CB 4.3Å; M231-E235 HydrophobicContact CE-CG 4.04Å; G232-E235 WeakPolarHBondContact O-CB 3.49Å; G232-E235 PolarHBondContact O-N 2.85Å; E235-K237 VanDerWaalsContact C-N 3.29Å; E235-K237 PolarHBondContact O-N 3.03Å; E235-Q243 PolarHBondContact O-NE2 3.3Å
236H89.3Confident94.9Very high169 Ų16964.6 Ų64.678%0.78231%0.306SS*.THydrogen-bonded Turntrans-77.3-11.8-178.5-57.8-53.6000114.3H234H234-H236 VanDerWaalsContact C-N 3.33Å; H234-H236 PolarHBondContact O-N 3.11Å
237K93.6Very high94.9Very high157 Ų15764.3 Ų64.368%0.68331%0.305SS*.THydrogen-bonded Turntrans-94.2-22.4-179.2-62.3-179.6-177.31760112.3H234 E235H234-K237 PolarHBondContact O-N 3.47Å; E235-K237 VanDerWaalsContact C-N 3.29Å; E235-K237 PolarHBondContact O-N 3.03Å
238L94.1Very high95Very high42 Ų4263.5 Ų63.522%0.2230%0.299CS..SBendtrans-91.7139.4-176.6-67.6166.9000110.5M231 H234 Q243 Y246M231-L238 HydrophobicContact SD-CD1 4.24Å; H234-L238 HydrophobicContact CB-CD1 3.92Å; H234-L238 HydrophobicContact CB-CG 4.33Å; H234-L238 VanDerWaalsContact O-CG 3.28Å; H234-L238 WeakPolarHBondContact O-CG 3.4Å; H234-L238 PolarHBondContact O-N 2.68Å; H234-L238 VanDerWaalsContact O-N 3.09Å; L238-Q243 HydrophobicContact CB-CG 3.88Å; L238-Y246 HydrophobicContact CD1-CD1 3.76Å; L238-Y246 HydrophobicContact CD1-CD2 3.87Å; L238-Y246 HydrophobicContact CD1-CE1 4.4Å; L238-Y246 HydrophobicContact CD1-CE2 4.49Å; L238-Y246 HydrophobicContact CD1-CG 3.46Å; L238-Y246 VanDerWaalsContact CD1-CG 3.46Å; L238-Y246 HydrophobicContact CD2-CD2 4.27Å
239K95.8Very high95.1Very high136 Ų13665.8 Ų65.859%0.59131%0.312SS*.  trans-64147.4166-59.1-179-179.4-179.90109.2E241 D242 Q243K239-E241 HydrophobicContact CB-CG 4.03Å; K239-E241 PolarHBondContact O-N 2.95Å; K239-E241 VanDerWaalsContact O-N 3.15Å; K239-D242 WeakPolarHBondContact O-CA 3.29Å; K239-D242 WeakPolarHBondContact O-CB 3.46Å; K239-D242 PolarHBondContact O-N 3.41Å; K239-Q243 PolarHBondContact O-N 2.71Å
240E93.4Very high95.1Very high127 Ų12767.6 Ų67.659%0.59332%0.323SS*.THydrogen-bonded Turntrans-55.6-37-177.9-167.2-175.3168.400112.6K220 D242 Q243 P244K220-E240 IonicContact NZ-OE1 3.34Å; K220-E240 PolarHBondContact NZ-OE1 2.79Å; E240-D242 PolarHBondContact O-N 2.69Å; E240-Q243 PolarHBondContact O-N 3.21Å; E240-P244 WeakPolarHBondContact O-CD 3.22Å
241E94.6Very high95.1Very high125 Ų12567.1 Ų67.158%0.58432%0.32SS*.THydrogen-bonded Turntrans-66.8-21.6176.967.3-166-164.200114.1K239 Y245K239-E241 HydrophobicContact CB-CG 4.03Å; K239-E241 PolarHBondContact O-N 2.95Å; K239-E241 VanDerWaalsContact O-N 3.15Å; E241-Y245 WeakPolarHBondContact O-CD2 3.37Å; E241-Y245 WeakPolarHBondContact O-CE2 3.26Å
242D96.6Very high95.2Very high41 Ų4167.1 Ų67.122%0.21932%0.32CS..THydrogen-bonded Turntrans-93-25.6-178.6-59.6-27.8000112.3K239 E240 Y245 Y246 R347K239-D242 WeakPolarHBondContact O-CA 3.29Å; K239-D242 WeakPolarHBondContact O-CB 3.46Å; K239-D242 PolarHBondContact O-N 3.41Å; E240-D242 PolarHBondContact O-N 2.69Å; D242-Y245 PolarHBondContact O-N 3.26Å; D242-Y245 VanDerWaalsContact O-N 3.1Å; D242-Y246 PolarHBondContact O-N 2.65Å; D242-R347 IonicContact OD1-CZ 3.71Å; D242-R347 IonicContact OD1-NH1 3.57Å; D242-R347 PolarHBondContact OD1-NH1 3.39Å; D242-R347 IonicContact OD1-NH2 3.36Å; D242-R347 PolarHBondContact OD1-NH2 3.38Å
243Q96.4Very high95.4Very high41 Ų4169.9 Ų69.919%0.19233%0.329CS..Hα-helixtrans-53.9-46.8-176.3-69.8177.70.400113.6M231 E235 L238 K239 E240 Y245 Y246 V247M231-Q243 HydrophobicContact CE-CB 4.3Å; M231-Q243 HydrophobicContact CE-CG 4.25Å; M231-Q243 HydrophobicContact SD-CB 3.59Å; M231-Q243 VanDerWaalsContact SD-CB 3.59Å; M231-Q243 HydrophobicContact SD-CG 3.59Å; M231-Q243 VanDerWaalsContact SD-CG 3.59Å; E235-Q243 PolarHBondContact O-NE2 3.3Å; L238-Q243 HydrophobicContact CB-CG 3.88Å; K239-Q243 PolarHBondContact O-N 2.71Å; E240-Q243 PolarHBondContact O-N 3.21Å; Q243-Y245 VanDerWaalsContact C-N 3.28Å; Q243-Y245 PolarHBondContact O-N 3Å; Q243-Y246 PolarHBondContact O-N 2.99Å; Q243-V247 WeakPolarHBondContact O-CG2 3.34Å; Q243-V247 PolarHBondContact O-N 3.47Å
244P96.9Very high95.6Very high47 Ų4763.1 Ų63.131%0.30530%0.298SS..Hα-helixtrans-62-34.4179.2-24.836.4000113.5F213 E240 M248F213-P244 HydrophobicContact CE2-CB 3.71Å; F213-P244 HydrophobicContact CZ-CB 4.29Å; E240-P244 WeakPolarHBondContact O-CD 3.22Å; P244-M248 WeakPolarHBondContact O-CG 3.41Å; P244-M248 PolarHBondContact O-N 2.8Å; P244-M248 VanDerWaalsContact O-N 3.1Å
245Y98.1Very high95.8Very high24 Ų2460 Ų609%0.09428%0.284CS..Hα-helixtrans-74.1-39.5178.6-62.4-84.9000111.4F213 E241 D242 Q243 M248 Q249 K344 R347 L348F213-Y245 HydrophobicContact CE1-CE1 4.5Å; F213-Y245 HydrophobicContact CE2-CD1 4.1Å; F213-Y245 HydrophobicContact CE2-CE1 4Å; F213-Y245 HydrophobicContact CE2-CG 4.43Å; F213-Y245 HydrophobicContact CZ-CD1 4.31Å; F213-Y245 AromaticContact CZ-CE1 3.75Å; F213-Y245 HydrophobicContact CZ-CE1 3.75Å; F213-Y245 HydrophobicContact CZ-CE2 4.15Å; F213-Y245 AromaticContact CZ-CZ 3.66Å; E241-Y245 WeakPolarHBondContact O-CD2 3.37Å; E241-Y245 WeakPolarHBondContact O-CE2 3.26Å; D242-Y245 PolarHBondContact O-N 3.26Å; D242-Y245 VanDerWaalsContact O-N 3.1Å; Q243-Y245 VanDerWaalsContact C-N 3.28Å; Q243-Y245 PolarHBondContact O-N 3Å; Y245-M248 PolarHBondContact O-N 2.92Å; Y245-Q249 WeakPolarHBondContact O-CB 3.35Å; Y245-Q249 PolarHBondContact O-N 2.88Å; Y245-K344 WeakPolarHBondContact OH-CB 3.48Å; Y245-K344 WeakPolarHBondContact OH-CG 3.43Å; Y245-R347 HydrophobicContact CD1-CB 4.34Å; Y245-R347 HydrophobicContact CD1-CG 3.75Å; Y245-R347 HydrophobicContact CE1-CB 3.79Å; Y245-R347 HydrophobicContact CE1-CG 3.59Å; Y245-R347 HydrophobicContact CG-CG 4.29Å; Y245-L348 HydrophobicContact CD1-CB 4.31Å; Y245-L348 HydrophobicContact CE1-CB 4.18Å
246Y97.9Very high96.1Very high53 Ų5358.2 Ų58.221%0.20828%0.275CS..Hα-helixtrans-61.8-45.5174.1-176-88.1000111.4M231 H234 L238 D242 Q243 M248 Q249 V250M231-Y246 HydrophobicContact CG-CD1 3.93Å; M231-Y246 HydrophobicContact CG-CE1 4.39Å; H234-Y246 HydrophobicContact CB-CE1 4.11Å; H234-Y246 HydrophobicContact CB-CE2 4.48Å; H234-Y246 PolarHBondContact CE1-OH 2.98Å; H234-Y246 AromaticContact CG-CZ 3.75Å; H234-Y246 AromaticContact ND1-CZ 3.96Å; H234-Y246 PolarHBondContact ND1-OH 2.95Å; H234-Y246 VanDerWaalsContact ND1-OH 3.16Å; L238-Y246 HydrophobicContact CD1-CD1 3.76Å; L238-Y246 HydrophobicContact CD1-CD2 3.87Å; L238-Y246 HydrophobicContact CD1-CE1 4.4Å; L238-Y246 HydrophobicContact CD1-CE2 4.49Å; L238-Y246 HydrophobicContact CD1-CG 3.46Å; L238-Y246 VanDerWaalsContact CD1-CG 3.46Å; L238-Y246 HydrophobicContact CD2-CD2 4.27Å; D242-Y246 PolarHBondContact O-N 2.65Å; Q243-Y246 PolarHBondContact O-N 2.99Å; Y246-M248 VanDerWaalsContact C-N 3.3Å; Y246-M248 PolarHBondContact O-N 2.55Å; Y246-Q249 WeakPolarHBondContact O-CB 3.42Å; Y246-Q249 PolarHBondContact O-N 3.23Å; Y246-Q249 VanDerWaalsContact O-N 3.13Å; Y246-V250 HydrophobicContact CD1-CG2 4.09Å; Y246-V250 HydrophobicContact CE1-CG2 3.66Å; Y246-V250 WeakPolarHBondContact O-CG2 3.43Å; Y246-V250 PolarHBondContact O-N 3.41Å
247V97.8Very high96.3Very high3 Ų354.1 Ų54.12%0.01826%0.257CS..Hα-helixtrans-59-43.1175.3171.10000111.2V230 M231 Q243 V250 I251V230-V247 HydrophobicContact CG1-CG1 4.21Å; V230-V247 HydrophobicContact CG1-CG2 4.43Å; M231-V247 HydrophobicContact CG-CG2 3.6Å; M231-V247 HydrophobicContact SD-CG2 4.01Å; Q243-V247 WeakPolarHBondContact O-CG2 3.34Å; Q243-V247 PolarHBondContact O-N 3.47Å; V247-V250 PolarHBondContact O-N 2.9Å; V247-I251 HydrophobicContact CG1-CD1 3.86Å; V247-I251 WeakPolarHBondContact O-CG1 3.28Å; V247-I251 PolarHBondContact O-N 3.06Å
248M98.3Very high96.3Very high2 Ų246.7 Ų46.71%0.0122%0.224CC..Hα-helixtrans-63.8-40175-75.3-53.4-58.500112.6P209 V212 F213 P244 Y245 Y246 V250 I251 C252 L348 C352P209-M248 HydrophobicContact CB-CE 3.66Å; P209-M248 WeakPolarHBondContact O-CE 3.26Å; V212-M248 HydrophobicContact CB-CE 4.02Å; V212-M248 HydrophobicContact CG1-CE 3.9Å; V212-M248 HydrophobicContact CG1-SD 3.89Å; F213-M248 HydrophobicContact CB-CG 4.3Å; F213-M248 HydrophobicContact CB-SD 4.37Å; F213-M248 HydrophobicContact CD2-CG 3.6Å; F213-M248 HydrophobicContact CE2-CG 4.45Å; F213-M248 HydrophobicContact CG-CG 4.44Å; P244-M248 WeakPolarHBondContact O-CG 3.41Å; P244-M248 PolarHBondContact O-N 2.8Å; P244-M248 VanDerWaalsContact O-N 3.1Å; Y245-M248 PolarHBondContact O-N 2.92Å; Y246-M248 VanDerWaalsContact C-N 3.3Å; Y246-M248 PolarHBondContact O-N 2.55Å; M248-V250 VanDerWaalsContact C-N 3.33Å; M248-V250 PolarHBondContact O-N 3.37Å; M248-I251 PolarHBondContact O-N 3.23Å; M248-I251 HydrophobicContact SD-CD1 4.42Å; M248-C252 VanDerWaalsContact O-CB 3.27Å; M248-C252 WeakPolarHBondContact O-CB 3.21Å; M248-C252 PolarHBondContact O-N 2.9Å; M248-C252 PolarHBondContact O-SG 3.24Å; M248-L348 HydrophobicContact CB-CD1 3.62Å; M248-L348 HydrophobicContact CE-CD1 4.4Å; M248-L348 HydrophobicContact CG-CD1 3.7Å; M248-C352 PolarHBondContact O-SG 3.22Å
249Q98.1Very high96.3Very high101 Ų10147.3 Ų47.347%0.47222%0.224SC..Hα-helixtrans-58-46.7175.7-175.9179.9-11.300110.9Y245 Y246 I251 C252 Q253 A351Y245-Q249 WeakPolarHBondContact O-CB 3.35Å; Y245-Q249 PolarHBondContact O-N 2.88Å; Y246-Q249 WeakPolarHBondContact O-CB 3.42Å; Y246-Q249 PolarHBondContact O-N 3.23Å; Y246-Q249 VanDerWaalsContact O-N 3.13Å; Q249-I251 PolarHBondContact O-N 2.94Å; Q249-C252 PolarHBondContact O-N 2.79Å; Q249-Q253 WeakPolarHBondContact O-CB 3.27Å; Q249-Q253 PolarHBondContact O-N 3.43Å; Q249-A351 HydrophobicContact CB-CB 4.4Å
250V97.3Very high96.2Very high38 Ų3846.3 Ų46.323%0.2322%0.22CC..Hα-helixtrans-62.1-43.1177178.10000111.7F184 V230 Y246 V247 M248 S254F184-V250 HydrophobicContact CD1-CG1 4.02Å; F184-V250 HydrophobicContact CE1-CG1 4.19Å; V230-V250 HydrophobicContact CG1-CB 3.89Å; V230-V250 HydrophobicContact CG1-CG1 3.76Å; V230-V250 HydrophobicContact CG1-CG2 4.37Å; Y246-V250 HydrophobicContact CD1-CG2 4.09Å; Y246-V250 HydrophobicContact CE1-CG2 3.66Å; Y246-V250 WeakPolarHBondContact O-CG2 3.43Å; Y246-V250 PolarHBondContact O-N 3.41Å; V247-V250 PolarHBondContact O-N 2.9Å; M248-V250 VanDerWaalsContact C-N 3.33Å; M248-V250 PolarHBondContact O-N 3.37Å; V250-S254 WeakPolarHBondContact O-CB 3.47Å; V250-S254 PolarHBondContact O-N 2.98Å
251I97.4Very high96.1Very high5 Ų542.9 Ų42.93%0.02621%0.208CC..Hα-helixtrans-63.8-48.2177.5-70.2168000111.3S52 F184 V247 M248 Q249 Q253 S254 H255S52-I251 WeakPolarHBondContact OG-CG2 2.94Å; F184-I251 HydrophobicContact CE1-CG1 4.17Å; V247-I251 HydrophobicContact CG1-CD1 3.86Å; V247-I251 WeakPolarHBondContact O-CG1 3.28Å; V247-I251 PolarHBondContact O-N 3.06Å; M248-I251 PolarHBondContact O-N 3.23Å; M248-I251 HydrophobicContact SD-CD1 4.42Å; Q249-I251 PolarHBondContact O-N 2.94Å; I251-Q253 PolarHBondContact O-N 3.29Å; I251-S254 WeakPolarHBondContact O-CB 3.23Å; I251-S254 PolarHBondContact O-N 3.06Å; I251-H255 PolarHBondContact O-CD2 2.82Å; I251-H255 PolarHBondContact O-N 3.08Å; I251-H255 VanDerWaalsContact O-N 3.1Å
252C98.1Very high96Very high8 Ų837 Ų375%0.05418%0.18CC..Hα-helixtrans-61.8-44.2179.6-72.10000111.4M248 Q249 H255 L256 C352 A355M248-C252 VanDerWaalsContact O-CB 3.27Å; M248-C252 WeakPolarHBondContact O-CB 3.21Å; M248-C252 PolarHBondContact O-N 2.9Å; M248-C252 PolarHBondContact O-SG 3.24Å; Q249-C252 PolarHBondContact O-N 2.79Å; C252-H255 PolarHBondContact O-N 2.83Å; C252-L256 WeakPolarHBondContact O-CB 3.46Å; C252-L256 PolarHBondContact O-N 3.26Å; C252-C352 HydrophobicContact CB-CB 3.77Å; C252-C352 WeakPolarHBondContact CB-SG 3.29Å; C252-C352 WeakPolarHBondContact SG-CB 3.46Å; C252-C352 CovalentContact SG-SG 2.04Å; C252-C352 PolarHBondContact SG-SG 3.27Å; C252-A355 HydrophobicContact CB-CB 3.76Å; C252-A355 WeakPolarHBondContact O-CB 3.37Å
253Q96.8Very high95.7Very high76 Ų7639.2 Ų39.236%0.35519%0.189SC..Hα-helixtrans-64.5-41.2177.4-173.662.119.700111.8Q249 I251 H255 L256 E257Q249-Q253 WeakPolarHBondContact O-CB 3.27Å; Q249-Q253 PolarHBondContact O-N 3.43Å; I251-Q253 PolarHBondContact O-N 3.29Å; Q253-H255 PolarHBondContact O-N 3.05Å; Q253-L256 WeakPolarHBondContact O-CB 3.4Å; Q253-L256 PolarHBondContact O-N 3.42Å; Q253-E257 HydrophobicContact CG-CG 4.32Å; Q253-E257 VanDerWaalsContact CG-OE1 3.28Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.45Å; Q253-E257 PolarHBondContact NE2-OE1 2.94Å; Q253-E257 WeakPolarHBondContact O-CB 2.98Å; Q253-E257 WeakPolarHBondContact O-CG 3.19Å; Q253-E257 PolarHBondContact O-N 3.36Å
254S96.2Very high95.5Very high8 Ų841.6 Ų41.66%0.05621%0.21CC..Hα-helixtrans-56.8-49.4173.7160.90000112.1F184 V250 I251 L256 E257 I258F184-S254 VanDerWaalsContact CA-OG 3.3Å; F184-S254 WeakPolarHBondContact CA-OG 3.32Å; F184-S254 WeakPolarHBondContact O-CB 3.07Å; F184-S254 PolarHBondContact O-OG 3.07Å; V250-S254 WeakPolarHBondContact O-CB 3.47Å; V250-S254 PolarHBondContact O-N 2.98Å; I251-S254 WeakPolarHBondContact O-CB 3.23Å; I251-S254 PolarHBondContact O-N 3.06Å; S254-L256 VanDerWaalsContact C-N 3.31Å; S254-L256 PolarHBondContact O-N 3.35Å; S254-E257 PolarHBondContact O-N 2.95Å; S254-I258 WeakPolarHBondContact O-CB 3.46Å; S254-I258 VanDerWaalsContact O-CG1 3.27Å; S254-I258 WeakPolarHBondContact O-CG1 3.46Å; S254-I258 PolarHBondContact O-N 3.32Å
255H96.2Very high95.2Very high14 Ų1440.2 Ų40.27%0.06520%0.2CC..Hα-helixtrans-59.8-42.7177.9-71.5-56.1000111.9S52 H204 V206 I251 C252 Q253 Y259 L359S52-H255 PolarHBondContact OG-NE2 3.4Å; H204-H255 AromaticContact CD2-ND1 3.94Å; H204-H255 AromaticContact CE1-ND1 3.59Å; H204-H255 AromaticContact NE2-CE1 3.53Å; H204-H255 AromaticContact NE2-CG 3.95Å; H204-H255 AromaticContact NE2-ND1 2.82Å; H204-H255 PolarHBondContact NE2-ND1 3.34Å; V206-H255 HydrophobicContact CG1-CB 4.35Å; I251-H255 PolarHBondContact O-CD2 2.82Å; I251-H255 PolarHBondContact O-N 3.08Å; I251-H255 VanDerWaalsContact O-N 3.1Å; C252-H255 PolarHBondContact O-N 2.83Å; Q253-H255 PolarHBondContact O-N 3.05Å; H255-Y259 WeakPolarHBondContact O-CB 3.47Å; H255-Y259 PolarHBondContact O-N 2.81Å; H255-Y259 VanDerWaalsContact O-N 3.11Å; H255-L359 HydrophobicContact CB-CD1 4.21Å
256L94.4Very high95.1Very high5 Ų543 Ų433%0.02622%0.221CC..Hα-helixtrans-60.2-50.4176.8-17481.8000111.6C252 Q253 S254 K260 D354 A355 L358C252-L256 WeakPolarHBondContact O-CB 3.46Å; C252-L256 PolarHBondContact O-N 3.26Å; Q253-L256 WeakPolarHBondContact O-CB 3.4Å; Q253-L256 PolarHBondContact O-N 3.42Å; S254-L256 VanDerWaalsContact C-N 3.31Å; S254-L256 PolarHBondContact O-N 3.35Å; L256-K260 HydrophobicContact CG-CD 4.2Å; L256-K260 WeakPolarHBondContact O-CB 3.41Å; L256-K260 WeakPolarHBondContact O-CG 3.47Å; L256-K260 PolarHBondContact O-N 3Å; L256-D354 HydrophobicContact CD2-CB 4.2Å; L256-A355 HydrophobicContact CB-CB 4.43Å; L256-L358 HydrophobicContact CD1-CB 3.74Å; L256-L358 HydrophobicContact CD1-CD2 3.33Å; L256-L358 HydrophobicContact CD1-CG 4.17Å; L256-L358 HydrophobicContact CG-CD2 4.3Å
257E94.4Very high95Very high83 Ų8347.5 Ų47.539%0.38824%0.242SC..Hα-helixtrans-66.6-45.9-177.3-74.9176.3-173.200112Q253 S254 Y259 K260 T261Q253-E257 HydrophobicContact CG-CG 4.32Å; Q253-E257 VanDerWaalsContact CG-OE1 3.28Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.45Å; Q253-E257 PolarHBondContact NE2-OE1 2.94Å; Q253-E257 WeakPolarHBondContact O-CB 2.98Å; Q253-E257 WeakPolarHBondContact O-CG 3.19Å; Q253-E257 PolarHBondContact O-N 3.36Å; S254-E257 PolarHBondContact O-N 2.95Å; E257-Y259 PolarHBondContact O-N 3.06Å; E257-K260 PolarHBondContact O-N 2.82Å; E257-T261 VanDerWaalsContact O-CB 3.3Å; E257-T261 WeakPolarHBondContact O-CB 3.46Å; E257-T261 PolarHBondContact O-N 3.36Å; E257-T261 PolarHBondContact O-OG1 3.22Å
258I94.6Very high94.7Very high1 Ų150.3 Ų50.31%0.00527%0.265CS..Hα-helixtrans-58.4-50177.3-69.8168000109.7L50 L189 S254 T261 I262 Y273L50-I258 HydrophobicContact CD2-CD1 4.32Å; L50-I258 HydrophobicContact CD2-CG2 4.08Å; L189-I258 HydrophobicContact CD1-CD1 4.39Å; L189-I258 HydrophobicContact CD1-CG2 4.27Å; S254-I258 WeakPolarHBondContact O-CB 3.46Å; S254-I258 VanDerWaalsContact O-CG1 3.27Å; S254-I258 WeakPolarHBondContact O-CG1 3.46Å; S254-I258 PolarHBondContact O-N 3.32Å; I258-T261 PolarHBondContact O-N 2.9Å; I258-I262 VanDerWaalsContact O-CG1 3.32Å; I258-I262 WeakPolarHBondContact O-CG1 3.46Å; I258-I262 PolarHBondContact O-N 3.36Å; I258-Y273 HydrophobicContact CG2-CE2 4.44Å
259Y93.3Very high94.5Very high56 Ų5651 Ų5122%0.2227%0.269CS..Hα-helixtrans-62-50.9-179.5177.4-103.5000112H255 E257 T261 I262 Q263 Y273 L275 L358H255-Y259 WeakPolarHBondContact O-CB 3.47Å; H255-Y259 PolarHBondContact O-N 2.81Å; H255-Y259 VanDerWaalsContact O-N 3.11Å; E257-Y259 PolarHBondContact O-N 3.06Å; Y259-T261 VanDerWaalsContact C-N 3.26Å; Y259-T261 PolarHBondContact O-N 2.97Å; Y259-I262 PolarHBondContact O-N 3Å; Y259-Q263 HydrophobicContact CD1-CG 4.47Å; Y259-Q263 HydrophobicContact CE1-CG 4.12Å; Y259-Q263 HydrophobicContact CE2-CG 4.31Å; Y259-Q263 WeakPolarHBondContact O-CG 3.45Å; Y259-Q263 PolarHBondContact O-N 2.79Å; Y259-Q263 VanDerWaalsContact O-N 3.12Å; Y259-Y273 HydrophobicContact CD2-CE1 4.08Å; Y259-L275 HydrophobicContact CD2-CD1 4.25Å; Y259-L275 HydrophobicContact CD2-CD2 3.87Å; Y259-L275 HydrophobicContact CD2-CG 4.45Å; Y259-L275 HydrophobicContact CE2-CB 4.47Å; Y259-L275 HydrophobicContact CE2-CD2 3.73Å; Y259-L358 HydrophobicContact CD1-CD2 3.58Å; Y259-L358 HydrophobicContact CD1-CG 4.15Å; Y259-L358 HydrophobicContact CE1-CD1 4.38Å; Y259-L358 HydrophobicContact CE1-CD2 4.06Å; Y259-L358 HydrophobicContact CE1-CG 4.2Å
260K92.6Very high94.3Very high114 Ų11449 Ų4950%0.49626%0.26SS..Hα-helixtrans-57.6-40.3178.4-76.9179.9176.8177.70112.3L256 E257 Q263 S264 L358L256-K260 HydrophobicContact CG-CD 4.2Å; L256-K260 WeakPolarHBondContact O-CB 3.41Å; L256-K260 WeakPolarHBondContact O-CG 3.47Å; L256-K260 PolarHBondContact O-N 3Å; E257-K260 PolarHBondContact O-N 2.82Å; K260-Q263 PolarHBondContact O-N 2.57Å; K260-S264 PolarHBondContact O-N 2.72Å; K260-L358 HydrophobicContact CG-CD2 3.98Å
261T91.9Very high94.2Very high55 Ų5551.3 Ų51.334%0.33727%0.268SS..Hα-helixtrans-73.8-34.6-178.2-44.40000111.5L186 E257 I258 Y259 Q263 S264 L265L186-T261 HydrophobicContact CB-CG2 4.19Å; L186-T261 HydrophobicContact CD2-CG2 3.17Å; L186-T261 HydrophobicContact CG-CG2 4.24Å; E257-T261 VanDerWaalsContact O-CB 3.3Å; E257-T261 WeakPolarHBondContact O-CB 3.46Å; E257-T261 PolarHBondContact O-N 3.36Å; E257-T261 PolarHBondContact O-OG1 3.22Å; I258-T261 PolarHBondContact O-N 2.9Å; Y259-T261 VanDerWaalsContact C-N 3.26Å; Y259-T261 PolarHBondContact O-N 2.97Å; T261-Q263 VanDerWaalsContact C-N 3.3Å; T261-Q263 PolarHBondContact O-N 2.79Å; T261-S264 PolarHBondContact O-N 2.57Å; T261-S264 PolarHBondContact O-OG 3.02Å; T261-L265 WeakPolarHBondContact O-CG 3.45Å; T261-L265 PolarHBondContact O-N 3.07Å
262I92.6Very high94.2Very high1 Ų154.7 Ų54.71%0.00528%0.281CS..Hα-helixtrans-59.2-43.7170.7-70.7-69000110.8L186 L193 I258 Y259 S264 L265 Q270 Y273L186-I262 HydrophobicContact CD1-CD1 3.59Å; L186-I262 HydrophobicContact CD1-CG1 3.96Å; L193-I262 HydrophobicContact CD1-CD1 3.9Å; I258-I262 VanDerWaalsContact O-CG1 3.32Å; I258-I262 WeakPolarHBondContact O-CG1 3.46Å; I258-I262 PolarHBondContact O-N 3.36Å; Y259-I262 PolarHBondContact O-N 3Å; I262-S264 PolarHBondContact O-N 3.37Å; I262-S264 VanDerWaalsContact O-N 3.12Å; I262-L265 HydrophobicContact CD1-CD1 3.88Å; I262-L265 WeakPolarHBondContact O-CB 3.28Å; I262-L265 PolarHBondContact O-N 2.93Å; I262-Q270 WeakPolarHBondContact O-CG 3.44Å; I262-Y273 HydrophobicContact CB-CD1 4.47Å; I262-Y273 HydrophobicContact CB-CG 4.42Å; I262-Y273 HydrophobicContact CD1-CD2 3.97Å; I262-Y273 HydrophobicContact CD1-CE2 4.49Å; I262-Y273 HydrophobicContact CD1-CG 4.33Å; I262-Y273 HydrophobicContact CG1-CD2 3.76Å; I262-Y273 HydrophobicContact CG1-CE2 3.86Å; I262-Y273 HydrophobicContact CG1-CG 4.12Å; I262-Y273 HydrophobicContact CG2-CD1 3.67Å; I262-Y273 HydrophobicContact CG2-CD2 4.21Å; I262-Y273 HydrophobicContact CG2-CE1 4.18Å; I262-Y273 HydrophobicContact CG2-CG 3.67Å
263Q90.6Very high94.1Very high89 Ų8955 Ų5542%0.41628%0.281SS..Hα-helixtrans-62.2-20179.7-63.1-57.5-62.600113.6Y259 K260 T261 Q270Y259-Q263 HydrophobicContact CD1-CG 4.47Å; Y259-Q263 HydrophobicContact CE1-CG 4.12Å; Y259-Q263 HydrophobicContact CE2-CG 4.31Å; Y259-Q263 WeakPolarHBondContact O-CG 3.45Å; Y259-Q263 PolarHBondContact O-N 2.79Å; Y259-Q263 VanDerWaalsContact O-N 3.12Å; K260-Q263 PolarHBondContact O-N 2.57Å; T261-Q263 VanDerWaalsContact C-N 3.3Å; T261-Q263 PolarHBondContact O-N 2.79Å; Q263-Q270 PolarHBondContact O-NE2 3.34Å; Q263-Q270 VanDerWaalsContact O-NE2 3.08Å
264S91.3Very high94.1Very high90 Ų9052 Ų5263%0.62927%0.267SS*.THydrogen-bonded Turntrans-93.5-2.8175.868.30000114.2K260 T261 I262K260-S264 PolarHBondContact O-N 2.72Å; T261-S264 PolarHBondContact O-N 2.57Å; T261-S264 PolarHBondContact O-OG 3.02Å; I262-S264 PolarHBondContact O-N 3.37Å; I262-S264 VanDerWaalsContact O-N 3.12Å
265L92.4Very high94.2Very high19 Ų1952.6 Ų52.610%0.09927%0.27CS..SBendtrans-76.9163.3177.9-64.2-169.9000112.3L186 Y190 L193 T261 I262 L269 Q270L186-L265 HydrophobicContact CD2-CD1 4.22Å; L186-L265 HydrophobicContact CD2-CD2 4.3Å; L186-L265 HydrophobicContact CD2-CG 4.46Å; Y190-L265 HydrophobicContact CD2-CD1 4.07Å; Y190-L265 HydrophobicContact CD2-CD2 3.86Å; Y190-L265 HydrophobicContact CE2-CD1 4.33Å; Y190-L265 HydrophobicContact CE2-CD2 3.63Å; L193-L265 HydrophobicContact CD1-CD1 4.28Å; T261-L265 WeakPolarHBondContact O-CG 3.45Å; T261-L265 PolarHBondContact O-N 3.07Å; I262-L265 HydrophobicContact CD1-CD1 3.88Å; I262-L265 WeakPolarHBondContact O-CB 3.28Å; I262-L265 PolarHBondContact O-N 2.93Å; L265-L269 HydrophobicContact CB-CB 4.13Å; L265-L269 HydrophobicContact CD1-CB 4.06Å; L265-L269 HydrophobicContact CD1-CD1 4.1Å; L265-Q270 HydrophobicContact CB-CG 4.45Å; L265-Q270 PolarHBondContact O-NE2 3.49Å
266P94.7Very high94.2Very high81 Ų8152 Ų5253%0.52627%0.267SS..  trans-55.3146.3169.9-25.435000112.3A268 L269 Q270P266-A268 PolarHBondContact O-N 3.46Å; P266-A268 VanDerWaalsContact O-N 3.11Å; P266-L269 PolarHBondContact O-N 3.2Å; P266-Q270 PolarHBondContact O-N 3.04Å; P266-Q270 VanDerWaalsContact O-N 3.17Å
267K95.1Very high94.3Very high148 Ų14852.1 Ų52.164%0.64327%0.267SS*.Hα-helixtrans-49.2-43.1-176.1-166.6-175.9-179.1-163.10113.2L269 Q270 E271K267-L269 PolarHBondContact O-N 2.89Å; K267-Q270 WeakPolarHBondContact O-CB 3.41Å; K267-Q270 PolarHBondContact O-N 3.1Å; K267-E271 WeakPolarHBondContact CE-OE1 3.37Å; K267-E271 HydrophobicContact CG-CG 4.48Å; K267-E271 IonicContact NZ-OE1 2.7Å; K267-E271 WeakPolarHBondContact O-CG 3.26Å; K267-E271 PolarHBondContact O-N 3.48Å
268A93.4Very high94.5Very high62 Ų6248.7 Ų48.751%0.51225%0.251SS..Hα-helixtrans-59.8-27.3178.200000114.6P266P266-A268 PolarHBondContact O-N 3.46Å; P266-A268 VanDerWaalsContact O-N 3.11Å
269L93.4Very high94.6Very high18 Ų1849.2 Ų49.29%0.09425%0.253CS..Hα-helixtrans-87.8-29.7173.3-63.7-174.8000112Y190 L193 K194 L265 P266 K267 E271 R272Y190-L269 HydrophobicContact CE2-CD1 4.03Å; L193-L269 HydrophobicContact CB-CD2 4.36Å; K194-L269 HydrophobicContact CG-CD1 4.17Å; L265-L269 HydrophobicContact CB-CB 4.13Å; L265-L269 HydrophobicContact CD1-CB 4.06Å; L265-L269 HydrophobicContact CD1-CD1 4.1Å; P266-L269 PolarHBondContact O-N 3.2Å; K267-L269 PolarHBondContact O-N 2.89Å; L269-E271 VanDerWaalsContact C-N 3.32Å; L269-R272 PolarHBondContact O-N 2.87Å
270Q94.1Very high94.7Very high57 Ų5747.9 Ų47.927%0.26625%0.25SC..Hα-helixtrans-64.4-39.7173.5-59.8-171.622.300111.4I262 Q263 L265 P266 K267 R272 Y273I262-Q270 WeakPolarHBondContact O-CG 3.44Å; Q263-Q270 PolarHBondContact O-NE2 3.34Å; Q263-Q270 VanDerWaalsContact O-NE2 3.08Å; L265-Q270 HydrophobicContact CB-CG 4.45Å; L265-Q270 PolarHBondContact O-NE2 3.49Å; P266-Q270 PolarHBondContact O-N 3.04Å; P266-Q270 VanDerWaalsContact O-N 3.17Å; K267-Q270 WeakPolarHBondContact O-CB 3.41Å; K267-Q270 PolarHBondContact O-N 3.1Å; Q270-R272 PolarHBondContact O-N 2.9Å; Q270-R272 VanDerWaalsContact O-N 3.16Å; Q270-Y273 PolarHBondContact O-N 3.05Å
271E95.6Very high94.9Very high88 Ų8842.5 Ų42.541%0.41123%0.226SC..THydrogen-bonded Turntrans-63.4-16.3176.4-72.3167.3-179.500112.9K267 L269 Y273 F295K267-E271 WeakPolarHBondContact CE-OE1 3.37Å; K267-E271 HydrophobicContact CG-CG 4.48Å; K267-E271 IonicContact NZ-OE1 2.7Å; K267-E271 WeakPolarHBondContact O-CG 3.26Å; K267-E271 PolarHBondContact O-N 3.48Å; L269-E271 VanDerWaalsContact C-N 3.32Å; E271-Y273 VanDerWaalsContact C-N 3.32Å; E271-F295 WeakPolarHBondContact O-CE2 3.48Å
272R96.3Very high95.1Very high76 Ų7640.4 Ų40.429%0.28721%0.213SC..THydrogen-bonded Turntrans-90.710.3173.7-65.6178.4-178.9-156.9-5.8113.3L193 L200 H201 I202 L269 Q270L193-R272 HydrophobicContact CD2-CB 4.22Å; L193-R272 PolarHBondContact O-NH1 2.9Å; L200-R272 WeakPolarHBondContact O-CB 3.5Å; L200-R272 WeakPolarHBondContact O-CD 3.45Å; H201-R272 CarbonylContact C-O 3.54Å; H201-R272 WeakPolarHBondContact CA-O 3.48Å; I202-R272 PolarHBondContact N-O 3.19Å; L269-R272 PolarHBondContact O-N 2.87Å; Q270-R272 PolarHBondContact O-N 2.9Å; Q270-R272 VanDerWaalsContact O-N 3.16Å
273Y96.8Very high95.1Very high14 Ų1445.5 Ų45.56%0.05523%0.232CC..EExtended strand (participates in β ladder)trans-130.6126.8-178.1175.3-84.2000111.9I202 H204 I258 Y259 I262 Q270 E271 L275I202-Y273 HydrophobicContact CB-CD2 3.94Å; I202-Y273 HydrophobicContact CG2-CD2 3.84Å; I202-Y273 HydrophobicContact CG2-CE2 4.15Å; I202-Y273 WeakPolarHBondContact O-CA 3.13Å; H204-Y273 HydrophobicContact CB-CD2 4.39Å; H204-Y273 HydrophobicContact CB-CE2 3.44Å; H204-Y273 VanDerWaalsContact CB-CE2 3.44Å; H204-Y273 WeakPolarHBondContact CB-OH 3.3Å; H204-Y273 AromaticContact CG-CE2 3.97Å; H204-Y273 AromaticContact CG-CZ 3.99Å; H204-Y273 AromaticContact ND1-CE2 3.68Å; H204-Y273 AromaticContact ND1-CZ 3.57Å; H204-Y273 PolarHBondContact ND1-OH 3.32Å; I258-Y273 HydrophobicContact CG2-CE2 4.44Å; Y259-Y273 HydrophobicContact CD2-CE1 4.08Å; I262-Y273 HydrophobicContact CB-CD1 4.47Å; I262-Y273 HydrophobicContact CB-CG 4.42Å; I262-Y273 HydrophobicContact CD1-CD2 3.97Å; I262-Y273 HydrophobicContact CD1-CE2 4.49Å; I262-Y273 HydrophobicContact CD1-CG 4.33Å; I262-Y273 HydrophobicContact CG1-CD2 3.76Å; I262-Y273 HydrophobicContact CG1-CE2 3.86Å; I262-Y273 HydrophobicContact CG1-CG 4.12Å; I262-Y273 HydrophobicContact CG2-CD1 3.67Å; I262-Y273 HydrophobicContact CG2-CD2 4.21Å; I262-Y273 HydrophobicContact CG2-CE1 4.18Å; I262-Y273 HydrophobicContact CG2-CG 3.67Å; Q270-Y273 PolarHBondContact O-N 3.05Å; E271-Y273 VanDerWaalsContact C-N 3.32Å; Y273-L275 HydrophobicContact CE1-CB 3.93Å; Y273-L275 WeakPolarHBondContact OH-CD1 3.45Å
274L97Very high95.3Very high14 Ų1443.1 Ų43.17%0.07323%0.228CC..EExtended strand (participates in β ladder)trans-118.9117.6175.5178.764.9000109.8I202 V203 H204 V276 M292 F295I202-L274 PolarHBondContact O-N 3.27Å; V203-L274 CarbonylContact C-O 3.56Å; V203-L274 WeakPolarHBondContact CA-O 3.17Å; H204-L274 PolarHBondContact N-O 3.34Å; L274-V276 HydrophobicContact CD2-CG2 4.03Å; L274-V276 HydrophobicContact CG-CG2 3.93Å; L274-M292 HydrophobicContact CD2-CB 4.5Å; L274-M292 HydrophobicContact CD2-CG 3.92Å; L274-F295 HydrophobicContact CB-CD1 3.63Å; L274-F295 HydrophobicContact CB-CD2 4.01Å; L274-F295 HydrophobicContact CB-CE1 3.48Å; L274-F295 VanDerWaalsContact CB-CE1 3.48Å; L274-F295 HydrophobicContact CB-CE2 3.87Å; L274-F295 HydrophobicContact CB-CG 3.9Å; L274-F295 HydrophobicContact CB-CZ 3.61Å; L274-F295 HydrophobicContact CD2-CB 3.87Å; L274-F295 HydrophobicContact CD2-CD1 3.74Å; L274-F295 HydrophobicContact CD2-CE1 4.44Å; L274-F295 HydrophobicContact CD2-CG 3.79Å; L274-F295 HydrophobicContact CG-CD1 4.31Å; L274-F295 HydrophobicContact CG-CG 4.37Å
275L96.8Very high95.5Very high20 Ų2039.5 Ų39.511%0.10520%0.203CC..EExtended strand (participates in β ladder)trans-83.2131.4169.4-170.474.6000109.7H204 V206 Y259 Y273 L359 W381H204-L275 HydrophobicContact CB-CD1 4.23Å; V206-L275 HydrophobicContact CG1-CD1 3.9Å; V206-L275 HydrophobicContact CG2-CD1 4.3Å; Y259-L275 HydrophobicContact CD2-CD1 4.25Å; Y259-L275 HydrophobicContact CD2-CD2 3.87Å; Y259-L275 HydrophobicContact CD2-CG 4.45Å; Y259-L275 HydrophobicContact CE2-CB 4.47Å; Y259-L275 HydrophobicContact CE2-CD2 3.73Å; Y273-L275 HydrophobicContact CE1-CB 3.93Å; Y273-L275 WeakPolarHBondContact OH-CD1 3.45Å; L275-L359 HydrophobicContact CD2-CD2 4.14Å; L275-W381 HydrophobicContact CB-CH2 4.3Å; L275-W381 HydrophobicContact CB-CZ3 4.2Å; L275-W381 HydrophobicContact CD2-CH2 3.27Å; L275-W381 HydrophobicContact CD2-CZ2 3.82Å; L275-W381 HydrophobicContact CD2-CZ3 3.78Å; L275-W381 HydrophobicContact CG-CH2 3.49Å; L275-W381 VanDerWaalsContact CG-CH2 3.49Å; L275-W381 HydrophobicContact CG-CZ2 4.43Å; L275-W381 HydrophobicContact CG-CZ3 3.9Å
276V97.1Very high95.7Very high1 Ų140.6 Ų40.61%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-127.4130.1177.8-179.10000109.5V203 H204 L205 V206 L274 L281 M292V203-V276 HydrophobicContact CG1-CG2 3.85Å; H204-V276 PolarHBondContact O-N 2.88Å; L205-V276 CarbonylContact C-O 3.53Å; L205-V276 WeakPolarHBondContact CA-O 3.26Å; L205-V276 HydrophobicContact CD1-CB 4.31Å; L205-V276 HydrophobicContact CD1-CG1 4.02Å; V206-V276 PolarHBondContact N-O 3.31Å; L274-V276 HydrophobicContact CD2-CG2 4.03Å; L274-V276 HydrophobicContact CG-CG2 3.93Å; V276-L281 HydrophobicContact CG1-CB 4.43Å; V276-M292 HydrophobicContact CG1-SD 4.33Å; V276-M292 HydrophobicContact CG2-CG 4.01Å; V276-M292 HydrophobicContact CG2-SD 3.99Å
277R97.1Very high95.8Very high7 Ų739.6 Ų39.63%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-94.7124.7172.7-167.6161.758.5177.2-0.8110V206 E279 D280 L281 G360 Y361 S379 W381V206-R277 HydrophobicContact CG2-CB 4.46Å; R277-E279 HydrophobicContact CG-CB 4.41Å; R277-E279 VanDerWaalsContact CG-OE2 3.27Å; R277-E279 WeakPolarHBondContact CG-OE2 3.45Å; R277-E279 PolarHBondContact O-N 3.31Å; R277-D280 HydrophobicContact CB-CB 4.32Å; R277-D280 WeakPolarHBondContact CB-OD2 3.34Å; R277-D280 IonicContact CZ-OD1 2.62Å; R277-D280 IonicContact CZ-OD2 3.17Å; R277-D280 VanDerWaalsContact CZ-OD2 3.26Å; R277-D280 IonicContact NE-OD1 2.96Å; R277-D280 PolarHBondContact NE-OD1 3.38Å; R277-D280 IonicContact NE-OD2 3.78Å; R277-D280 PolarHBondContact NE-OD2 3.38Å; R277-D280 VanDerWaalsContact NH2-CG 3.32Å; R277-D280 IonicContact NH2-OD1 3.26Å; R277-D280 PolarHBondContact NH2-OD1 3.4Å; R277-D280 IonicContact NH2-OD2 3.79Å; R277-D280 PolarHBondContact NH2-OD2 3.01Å; R277-D280 PolarHBondContact O-N 3.13Å; R277-D280 VanDerWaalsContact O-N 3.1Å; R277-L281 PolarHBondContact O-N 3.35Å; R277-G360 PolarHBondContact NH1-O 3.36Å; R277-Y361 HydrophobicContact CG-CE1 4.16Å; R277-Y361 VanDerWaalsContact CG-OH 3.27Å; R277-Y361 WeakPolarHBondContact CG-OH 3.41Å; R277-S379 PolarHBondContact NH1-O 3.03Å; R277-S379 VanDerWaalsContact NH1-O 3.1Å; R277-S379 PolarHBondContact NH2-O 3.48Å; R277-W381 HydrophobicContact CB-CH2 3.63Å; R277-W381 HydrophobicContact CB-CZ2 3.63Å; R277-W381 HydrophobicContact CB-CZ3 4.3Å; R277-W381 HydrophobicContact CG-CZ2 4.16Å; R277-W381 VanDerWaalsContact NH1-NE1 3.19Å
278Y97.8Very high95.9Very high12 Ų1234.3 Ų34.35%0.04719%0.186CC..Hα-helixtrans-55.4-38.6-179178.1-96.3000112.1S55 F59 V206 R207 L281 V282S55-Y278 WeakPolarHBondContact O-CD2 3.48Å; F59-Y278 HydrophobicContact CD1-CE2 4.33Å; V206-Y278 WeakPolarHBondContact O-CB 3.02Å; V206-Y278 PolarHBondContact O-N 3.31Å; R207-Y278 HydrophobicContact CB-CG 4.45Å; R207-Y278 HydrophobicContact CG-CD1 3.91Å; R207-Y278 HydrophobicContact CG-CG 4.04Å; Y278-L281 WeakPolarHBondContact O-CB 3.39Å; Y278-L281 PolarHBondContact O-N 3.32Å; Y278-V282 HydrophobicContact CD1-CG1 4.2Å; Y278-V282 HydrophobicContact CD2-CG1 4.37Å; Y278-V282 HydrophobicContact CE1-CG1 3.63Å; Y278-V282 HydrophobicContact CE1-CG2 4.34Å; Y278-V282 HydrophobicContact CE2-CG1 3.84Å; Y278-V282 VanDerWaalsContact CZ-CG1 3.43Å; Y278-V282 PolarHBondContact O-N 3.37Å
279E96.8Very high96.1Very high11 Ų1131.3 Ų31.35%0.05116%0.161CC..Hα-helixtrans-66.6-36.6-179.5-65.170.5-154.200112.6R207 D208 R277 V282 R283 Y361 L378R207-E279 VanDerWaalsContact CG-OE1 3.23Å; R207-E279 WeakPolarHBondContact CG-OE1 3.35Å; D208-E279 WeakPolarHBondContact CB-OE1 3.25Å; D208-E279 PolarHBondContact N-OE1 2.91Å; R277-E279 HydrophobicContact CG-CB 4.41Å; R277-E279 VanDerWaalsContact CG-OE2 3.27Å; R277-E279 WeakPolarHBondContact CG-OE2 3.45Å; R277-E279 PolarHBondContact O-N 3.31Å; E279-V282 WeakPolarHBondContact O-CG2 3.03Å; E279-R283 WeakPolarHBondContact O-CB 3.42Å; E279-R283 VanDerWaalsContact O-CG 3.23Å; E279-R283 WeakPolarHBondContact O-CG 3.05Å; E279-R283 PolarHBondContact O-N 3.13Å; E279-R283 VanDerWaalsContact O-N 3.1Å; E279-Y361 HydrophobicContact CG-CE1 4.44Å; E279-Y361 VanDerWaalsContact OE2-CE1 3.26Å; E279-Y361 WeakPolarHBondContact OE2-CE1 3.34Å; E279-Y361 PolarHBondContact OE2-OH 3.26Å; E279-L378 HydrophobicContact CB-CD1 3.49Å; E279-L378 VanDerWaalsContact CB-CD1 3.49Å; E279-L378 HydrophobicContact CB-CD2 4.11Å; E279-L378 HydrophobicContact CB-CG 4.41Å; E279-L378 HydrophobicContact CG-CD1 4.36Å; E279-L378 HydrophobicContact CG-CD2 4.2Å
280D95.9Very high96.3Very high29 Ų2931.9 Ų31.916%0.15517%0.167CC..Hα-helixtrans-70.5-39.6173.8-62.4-31.5000110.7R277 V282 R283 A284R277-D280 HydrophobicContact CB-CB 4.32Å; R277-D280 WeakPolarHBondContact CB-OD2 3.34Å; R277-D280 IonicContact CZ-OD1 2.62Å; R277-D280 IonicContact CZ-OD2 3.17Å; R277-D280 VanDerWaalsContact CZ-OD2 3.26Å; R277-D280 IonicContact NE-OD1 2.96Å; R277-D280 PolarHBondContact NE-OD1 3.38Å; R277-D280 IonicContact NE-OD2 3.78Å; R277-D280 PolarHBondContact NE-OD2 3.38Å; R277-D280 VanDerWaalsContact NH2-CG 3.32Å; R277-D280 IonicContact NH2-OD1 3.26Å; R277-D280 PolarHBondContact NH2-OD1 3.4Å; R277-D280 IonicContact NH2-OD2 3.79Å; R277-D280 PolarHBondContact NH2-OD2 3.01Å; R277-D280 PolarHBondContact O-N 3.13Å; R277-D280 VanDerWaalsContact O-N 3.1Å; D280-V282 PolarHBondContact O-N 3.21Å; D280-R283 PolarHBondContact O-N 2.98Å; D280-A284 PolarHBondContact O-N 3.18Å
281L96.3Very high96.5Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-57-48.8174.3174.663.4000111.4F59 V60 L63 V276 R277 Y278 R283 A284 P285 Q288 M292F59-L281 HydrophobicContact CD1-CD2 3.98Å; F59-L281 HydrophobicContact CE1-CD1 4.45Å; F59-L281 HydrophobicContact CE1-CD2 3.7Å; F59-L281 HydrophobicContact CE1-CG 3.95Å; V60-L281 HydrophobicContact CG2-CD2 3.48Å; V60-L281 VanDerWaalsContact CG2-CD2 3.48Å; L63-L281 HydrophobicContact CD1-CD1 4.07Å; L63-L281 HydrophobicContact CD1-CD2 4.25Å; V276-L281 HydrophobicContact CG1-CB 4.43Å; R277-L281 PolarHBondContact O-N 3.35Å; Y278-L281 WeakPolarHBondContact O-CB 3.39Å; Y278-L281 PolarHBondContact O-N 3.32Å; L281-R283 PolarHBondContact O-N 3.08Å; L281-A284 CarbonylContact O-C 3.4Å; L281-A284 PolarHBondContact O-N 3.23Å; L281-P285 WeakPolarHBondContact O-CA 3.39Å; L281-P285 WeakPolarHBondContact O-CB 3.48Å; L281-Q288 HydrophobicContact CB-CB 4.39Å; L281-Q288 HydrophobicContact CD1-CB 3.67Å; L281-M292 HydrophobicContact CD1-CE 3.88Å
282V95.4Very high96.6Very high11 Ų1128.2 Ų28.27%0.06715%0.147CC..Hα-helixtrans-76.6-21.5-178.9-57.90000113.6Y278 E279 D280 A329 L330Y278-V282 HydrophobicContact CD1-CG1 4.2Å; Y278-V282 HydrophobicContact CD2-CG1 4.37Å; Y278-V282 HydrophobicContact CE1-CG1 3.63Å; Y278-V282 HydrophobicContact CE1-CG2 4.34Å; Y278-V282 HydrophobicContact CE2-CG1 3.84Å; Y278-V282 VanDerWaalsContact CZ-CG1 3.43Å; Y278-V282 PolarHBondContact O-N 3.37Å; E279-V282 WeakPolarHBondContact O-CG2 3.03Å; D280-V282 PolarHBondContact O-N 3.21Å; V282-A329 HydrophobicContact CB-CB 3.88Å; V282-A329 HydrophobicContact CG1-CB 3.67Å; V282-L330 HydrophobicContact CG2-CD1 4.48Å
283R94.2Very high96.7Very high108 Ų10824.7 Ų24.741%0.40813%0.133SC..Hα-helixtrans-72.1-39.6171.6-78.1175.8-177.6-165.32.4111.8E279 D280 L281 L330 D376E279-R283 WeakPolarHBondContact O-CB 3.42Å; E279-R283 VanDerWaalsContact O-CG 3.23Å; E279-R283 WeakPolarHBondContact O-CG 3.05Å; E279-R283 PolarHBondContact O-N 3.13Å; E279-R283 VanDerWaalsContact O-N 3.1Å; D280-R283 PolarHBondContact O-N 2.98Å; L281-R283 PolarHBondContact O-N 3.08Å; R283-L330 HydrophobicContact CG-CD1 3.89Å; R283-D376 IonicContact CZ-OD1 3.34Å; R283-D376 IonicContact CZ-OD2 2.81Å; R283-D376 IonicContact NH1-OD1 2.79Å; R283-D376 PolarHBondContact NH1-OD1 2.86Å; R283-D376 IonicContact NH1-OD2 2.94Å; R283-D376 PolarHBondContact NH1-OD2 3.42Å; R283-D376 IonicContact NH2-OD1 3.11Å; R283-D376 PolarHBondContact NH2-OD1 3.43Å; R283-D376 IonicContact NH2-OD2 3.24Å
284A94.9Very high96.8Very high40 Ų4030.2 Ų30.233%0.33116%0.16SC..SBendtrans-134.565.6-177.100000112.2D280 L281 V286 A287 Q288D280-A284 PolarHBondContact O-N 3.18Å; L281-A284 CarbonylContact O-C 3.4Å; L281-A284 PolarHBondContact O-N 3.23Å; A284-V286 PolarHBondContact O-N 3.41Å; A284-A287 HydrophobicContact CB-CB 4.28Å; A284-A287 PolarHBondContact O-N 3.41Å; A284-Q288 HydrophobicContact CB-CG 4.42Å; A284-Q288 WeakPolarHBondContact O-CB 3.47Å; A284-Q288 WeakPolarHBondContact O-CG 3.32Å; A284-Q288 PolarHBondContact O-N 3.08Å
285P95.4Very high96.9Very high14 Ų1431.4 Ų31.49%0.09116%0.164CC..Hα-helixtrans-64.5-41.6-165.523.9-34.7000114.2L281 T289 V308 T312L281-P285 WeakPolarHBondContact O-CA 3.39Å; L281-P285 WeakPolarHBondContact O-CB 3.48Å; P285-T289 VanDerWaalsContact O-CB 3.27Å; P285-T289 WeakPolarHBondContact O-CB 3.22Å; P285-T289 PolarHBondContact O-N 2.94Å; P285-T289 PolarHBondContact O-OG1 2.93Å; P285-V308 HydrophobicContact CB-CG1 3.89Å; P285-T312 HydrophobicContact CB-CG2 3.82Å; P285-T312 HydrophobicContact CG-CG2 4.28Å; P285-T312 WeakPolarHBondContact CG-OG1 3.37Å
286V96Very high96.9Very high42 Ų4230.7 Ų30.726%0.25516%0.161SC..Hα-helixtrans-64.9-49.6176.8-179.50000110.5A284 Q288 T289 S290 F300 H305 V308 H309A284-V286 PolarHBondContact O-N 3.41Å; V286-Q288 PolarHBondContact O-N 3.23Å; V286-T289 PolarHBondContact O-N 2.77Å; V286-S290 PolarHBondContact O-N 2.91Å; V286-F300 HydrophobicContact CG1-CE1 3.93Å; V286-F300 HydrophobicContact CG1-CZ 4.39Å; V286-F300 WeakPolarHBondContact O-CE1 3.32Å; V286-H305 VanDerWaalsContact CG1-ND1 3.3Å; V286-H305 WeakPolarHBondContact CG1-ND1 3.39Å; V286-V308 HydrophobicContact CG2-CG1 4.29Å; V286-H309 HydrophobicContact CG2-CB 4.36Å
287A96.5Very high96.9Very high59 Ų5933.5 Ų33.549%0.48819%0.19SC..Hα-helixtrans-63.6-43.8-178.400000112.7A284 T289 S290 R291A284-A287 HydrophobicContact CB-CB 4.28Å; A284-A287 PolarHBondContact O-N 3.41Å; A287-T289 VanDerWaalsContact C-N 3.32Å; A287-T289 PolarHBondContact O-N 3.46Å; A287-S290 WeakPolarHBondContact O-CB 3.33Å; A287-S290 PolarHBondContact O-N 3.24Å; A287-R291 PolarHBondContact O-N 3.23Å
288Q97Very high96.9Very high37 Ų3733.8 Ų33.817%0.17319%0.192CC..Hα-helixtrans-69.7-30.5178.5-65.9-63.6-32.100112.1L281 A284 V286 M292L281-Q288 HydrophobicContact CB-CB 4.39Å; L281-Q288 HydrophobicContact CD1-CB 3.67Å; A284-Q288 HydrophobicContact CB-CG 4.42Å; A284-Q288 WeakPolarHBondContact O-CB 3.47Å; A284-Q288 WeakPolarHBondContact O-CG 3.32Å; A284-Q288 PolarHBondContact O-N 3.08Å; V286-Q288 PolarHBondContact O-N 3.23Å; Q288-M292 WeakPolarHBondContact O-CG 3.35Å; Q288-M292 PolarHBondContact O-N 3.26Å; Q288-M292 VanDerWaalsContact O-N 3.11Å
289T97.6Very high96.9Very high0 Ų039.7 Ų39.70%022%0.22CC..Hα-helixtrans-69-43.7172.4-550000111.3L63 P285 V286 A287 R291 M292 Y293 F300 V308L63-T289 HydrophobicContact CB-CG2 4.45Å; L63-T289 HydrophobicContact CD1-CG2 4.48Å; L63-T289 HydrophobicContact CD2-CG2 4.47Å; P285-T289 VanDerWaalsContact O-CB 3.27Å; P285-T289 WeakPolarHBondContact O-CB 3.22Å; P285-T289 PolarHBondContact O-N 2.94Å; P285-T289 PolarHBondContact O-OG1 2.93Å; V286-T289 PolarHBondContact O-N 2.77Å; A287-T289 VanDerWaalsContact C-N 3.32Å; A287-T289 PolarHBondContact O-N 3.46Å; T289-R291 VanDerWaalsContact C-N 3.31Å; T289-R291 PolarHBondContact O-N 3.05Å; T289-M292 PolarHBondContact O-N 3.26Å; T289-M292 VanDerWaalsContact O-N 3.12Å; T289-Y293 HydrophobicContact CG2-CD1 4.08Å; T289-Y293 HydrophobicContact CG2-CE1 3.82Å; T289-Y293 HydrophobicContact CG2-CE2 4.49Å; T289-Y293 PolarHBondContact O-N 2.93Å; T289-F300 HydrophobicContact CG2-CE1 4.09Å; T289-F300 HydrophobicContact CG2-CE2 4.13Å; T289-F300 HydrophobicContact CG2-CZ 3.73Å; T289-V308 HydrophobicContact CG2-CG2 4.22Å
290S97.9Very high96.9Very high30 Ų3040.4 Ų40.421%0.2122%0.223CC..Hα-helixtrans-53.1-50.5173.2-159.60000110.9V286 A287 M292 Y293 E294V286-S290 PolarHBondContact O-N 2.91Å; A287-S290 WeakPolarHBondContact O-CB 3.33Å; A287-S290 PolarHBondContact O-N 3.24Å; S290-M292 VanDerWaalsContact C-N 3.32Å; S290-M292 PolarHBondContact O-N 3.46Å; S290-Y293 PolarHBondContact O-N 3.23Å; S290-Y293 VanDerWaalsContact O-N 3.1Å; S290-E294 WeakPolarHBondContact O-CB 3.41Å; S290-E294 VanDerWaalsContact O-CG 3.31Å; S290-E294 WeakPolarHBondContact O-CG 3.08Å; S290-E294 PolarHBondContact O-N 3.35Å; S290-E294 PolarHBondContact OG-OE1 3.46Å
291R97.9Very high96.8Very high67 Ų6740.4 Ų40.425%0.25322%0.223SC..Hα-helixtrans-57.7-41.6177.5-177.7-178.7175.1-151-2113.1A287 T289 F295A287-R291 PolarHBondContact O-N 3.23Å; T289-R291 VanDerWaalsContact C-N 3.31Å; T289-R291 PolarHBondContact O-N 3.05Å; R291-F295 VanDerWaalsContact O-CB 3.28Å; R291-F295 WeakPolarHBondContact O-CB 3.13Å; R291-F295 PolarHBondContact O-N 3.41Å; R291-F295 VanDerWaalsContact O-N 3.11Å
292M98.5Very high96.6Very high1 Ų145 Ų451%0.00525%0.253CS..Hα-helixtrans-68.6-37177.4-75.4-174.8-66.500112.3V60 L63 F64 V203 L274 V276 L281 Q288 T289 S290 V296V60-M292 HydrophobicContact CG1-SD 4.11Å; L63-M292 HydrophobicContact CD1-CE 3.49Å; L63-M292 VanDerWaalsContact CD1-CE 3.49Å; F64-M292 HydrophobicContact CZ-CB 4.09Å; V203-M292 HydrophobicContact CG1-CG 4.26Å; V203-M292 HydrophobicContact CG1-SD 3.79Å; L274-M292 HydrophobicContact CD2-CB 4.5Å; L274-M292 HydrophobicContact CD2-CG 3.92Å; V276-M292 HydrophobicContact CG1-SD 4.33Å; V276-M292 HydrophobicContact CG2-CG 4.01Å; V276-M292 HydrophobicContact CG2-SD 3.99Å; L281-M292 HydrophobicContact CD1-CE 3.88Å; Q288-M292 WeakPolarHBondContact O-CG 3.35Å; Q288-M292 PolarHBondContact O-N 3.26Å; Q288-M292 VanDerWaalsContact O-N 3.11Å; T289-M292 PolarHBondContact O-N 3.26Å; T289-M292 VanDerWaalsContact O-N 3.12Å; S290-M292 VanDerWaalsContact C-N 3.32Å; S290-M292 PolarHBondContact O-N 3.46Å; M292-V296 PolarHBondContact O-N 3.1Å
293Y98.4Very high96.3Very high1 Ų149.7 Ų49.70%0.00427%0.274CS..Hα-helixtrans-70.4-47.2177.7-8220.2000111.6L63 F64 H67 T289 S290 F295 V296 G297 L298 F300 L304L63-Y293 PolarHBondContact O-OH 3.22Å; F64-Y293 HydrophobicContact CD1-CD1 4.41Å; F64-Y293 HydrophobicContact CD1-CE1 4.13Å; F64-Y293 HydrophobicContact CE1-CD1 4.06Å; F64-Y293 HydrophobicContact CE1-CE1 4.2Å; H67-Y293 AromaticContact CD2-CE2 3.76Å; T289-Y293 HydrophobicContact CG2-CD1 4.08Å; T289-Y293 HydrophobicContact CG2-CE1 3.82Å; T289-Y293 HydrophobicContact CG2-CE2 4.49Å; T289-Y293 PolarHBondContact O-N 2.93Å; S290-Y293 PolarHBondContact O-N 3.23Å; S290-Y293 VanDerWaalsContact O-N 3.1Å; Y293-F295 VanDerWaalsContact C-N 3.27Å; Y293-F295 PolarHBondContact O-N 3.22Å; Y293-V296 CarbonylContact O-C 3.57Å; Y293-V296 WeakPolarHBondContact O-CG2 3.41Å; Y293-V296 PolarHBondContact O-N 3.39Å; Y293-V296 VanDerWaalsContact O-N 3.08Å; Y293-G297 PolarHBondContact O-N 2.87Å; Y293-L298 HydrophobicContact CD1-CB 4.47Å; Y293-L298 HydrophobicContact CD1-CD1 4.29Å; Y293-L298 HydrophobicContact CD2-CB 4.09Å; Y293-L298 HydrophobicContact CE1-CD1 4.45Å; Y293-L298 HydrophobicContact CG-CB 3.93Å; Y293-L298 PolarHBondContact O-N 3.26Å; Y293-F300 HydrophobicContact CD2-CB 3.85Å; Y293-F300 AromaticContact CD2-CD2 3.91Å; Y293-F300 HydrophobicContact CD2-CD2 3.91Å; Y293-F300 AromaticContact CD2-CG 3.91Å; Y293-F300 HydrophobicContact CD2-CG 3.91Å; Y293-F300 HydrophobicContact CE2-CB 4.43Å; Y293-F300 AromaticContact CE2-CD2 3.66Å; Y293-F300 HydrophobicContact CE2-CD2 3.66Å; Y293-F300 HydrophobicContact CE2-CE2 4.19Å; Y293-F300 HydrophobicContact CE2-CG 4.16Å; Y293-L304 HydrophobicContact CE2-CD1 4.16Å
294E98.3Very high96.2Very high131 Ų13144.7 Ų44.761%0.61226%0.256SS*.Hα-helixtrans-54.7-44.5174.1-73.2160.5-147.500111.3S290 V296 G297S290-E294 WeakPolarHBondContact O-CB 3.41Å; S290-E294 VanDerWaalsContact O-CG 3.31Å; S290-E294 WeakPolarHBondContact O-CG 3.08Å; S290-E294 PolarHBondContact O-N 3.35Å; S290-E294 PolarHBondContact OG-OE1 3.46Å; E294-V296 PolarHBondContact O-N 3.08Å; E294-G297 PolarHBondContact O-N 3.23Å
295F98.4Very high96Very high38 Ų3845.9 Ų45.917%0.16725%0.254CS..Hα-helixtrans-58.7-31.4178.2170.2-109.8000113.9H201 V203 E271 L274 R291 Y293H201-F295 HydrophobicContact CB-CE1 3.8Å; H201-F295 HydrophobicContact CB-CZ 4.08Å; H201-F295 AromaticContact CD2-CZ 3.94Å; V203-F295 HydrophobicContact CG2-CD1 4.01Å; V203-F295 HydrophobicContact CG2-CE1 3.99Å; E271-F295 WeakPolarHBondContact O-CE2 3.48Å; L274-F295 HydrophobicContact CB-CD1 3.63Å; L274-F295 HydrophobicContact CB-CD2 4.01Å; L274-F295 HydrophobicContact CB-CE1 3.48Å; L274-F295 VanDerWaalsContact CB-CE1 3.48Å; L274-F295 HydrophobicContact CB-CE2 3.87Å; L274-F295 HydrophobicContact CB-CG 3.9Å; L274-F295 HydrophobicContact CB-CZ 3.61Å; L274-F295 HydrophobicContact CD2-CB 3.87Å; L274-F295 HydrophobicContact CD2-CD1 3.74Å; L274-F295 HydrophobicContact CD2-CE1 4.44Å; L274-F295 HydrophobicContact CD2-CG 3.79Å; L274-F295 HydrophobicContact CG-CD1 4.31Å; L274-F295 HydrophobicContact CG-CG 4.37Å; R291-F295 VanDerWaalsContact O-CB 3.28Å; R291-F295 WeakPolarHBondContact O-CB 3.13Å; R291-F295 PolarHBondContact O-N 3.41Å; R291-F295 VanDerWaalsContact O-N 3.11Å; Y293-F295 VanDerWaalsContact C-N 3.27Å; Y293-F295 PolarHBondContact O-N 3.22Å
296V97.9Very high95.8Very high5 Ų549.2 Ų49.23%0.0327%0.274CS..Hα-helixtrans-1062.6179.7-54.70000113.4V45 V47 F64 H175 H201 M292 Y293 E294 L298V45-V296 HydrophobicContact CG1-CB 4.45Å; V47-V296 HydrophobicContact CG1-CG1 4.09Å; V47-V296 HydrophobicContact CG2-CB 3.97Å; V47-V296 HydrophobicContact CG2-CG1 3.72Å; V47-V296 HydrophobicContact CG2-CG2 4.41Å; F64-V296 HydrophobicContact CE1-CG2 3.93Å; H175-V296 PolarHBondContact NE2-O 3.21Å; H201-V296 HydrophobicContact CB-CG1 4.07Å; M292-V296 PolarHBondContact O-N 3.1Å; Y293-V296 CarbonylContact O-C 3.57Å; Y293-V296 WeakPolarHBondContact O-CG2 3.41Å; Y293-V296 PolarHBondContact O-N 3.39Å; Y293-V296 VanDerWaalsContact O-N 3.08Å; E294-V296 PolarHBondContact O-N 3.08Å; V296-L298 HydrophobicContact CG2-CB 4.18Å; V296-L298 HydrophobicContact CG2-CD1 3.68Å; V296-L298 HydrophobicContact CG2-CG 3.8Å
297G97.4Very high95.5Very high61 Ų6149 Ų4963%0.62927%0.269SS*.THydrogen-bonded Turntrans75.428.8-179.400000115Y293 E294Y293-G297 PolarHBondContact O-N 2.87Å; E294-G297 PolarHBondContact O-N 3.23Å
298L97.4Very high95.3Very high13 Ų1346.2 Ų46.27%0.06825%0.246CC..  trans-92142.9172.6-77171.5000111.7F64 D69 V70 H175 Y293 V296F64-L298 HydrophobicContact CD1-CD1 3.8Å; F64-L298 HydrophobicContact CE1-CD1 4.05Å; D69-L298 HydrophobicContact CB-CD2 4.48Å; V70-L298 HydrophobicContact CG2-CD1 3.92Å; V70-L298 HydrophobicContact CG2-CD2 4.19Å; H175-L298 WeakPolarHBondContact CE1-CD2 3.49Å; H175-L298 WeakPolarHBondContact ND1-CD2 3.44Å; Y293-L298 HydrophobicContact CD1-CB 4.47Å; Y293-L298 HydrophobicContact CD1-CD1 4.29Å; Y293-L298 HydrophobicContact CD2-CB 4.09Å; Y293-L298 HydrophobicContact CE1-CD1 4.45Å; Y293-L298 HydrophobicContact CG-CB 3.93Å; Y293-L298 PolarHBondContact O-N 3.26Å; V296-L298 HydrophobicContact CG2-CB 4.18Å; V296-L298 HydrophobicContact CG2-CD1 3.68Å; V296-L298 HydrophobicContact CG2-CG 3.8Å
299E96.4Very high95Very high136 Ų13647.5 Ų47.564%0.63625%0.252SS*.  trans-79.4134.6171.3-173.3-179.2168.400110.4H67 L301H67-E299 PolarHBondContact NE2-O 2.93Å; E299-L301 HydrophobicContact CB-CD2 4.35Å; E299-L301 HydrophobicContact CG-CD2 4Å; E299-L301 PolarHBondContact O-N 3.23Å
300F96.3Very high94.6Very high25 Ų2552 Ų5211%0.1128%0.276CS..  trans-88.694.7175.9-158.6179.9000111.5V286 T289 Y293 L304 H305 V308V286-F300 HydrophobicContact CG1-CE1 3.93Å; V286-F300 HydrophobicContact CG1-CZ 4.39Å; V286-F300 WeakPolarHBondContact O-CE1 3.32Å; T289-F300 HydrophobicContact CG2-CE1 4.09Å; T289-F300 HydrophobicContact CG2-CE2 4.13Å; T289-F300 HydrophobicContact CG2-CZ 3.73Å; Y293-F300 HydrophobicContact CD2-CB 3.85Å; Y293-F300 AromaticContact CD2-CD2 3.91Å; Y293-F300 HydrophobicContact CD2-CD2 3.91Å; Y293-F300 AromaticContact CD2-CG 3.91Å; Y293-F300 HydrophobicContact CD2-CG 3.91Å; Y293-F300 HydrophobicContact CE2-CB 4.43Å; Y293-F300 AromaticContact CE2-CD2 3.66Å; Y293-F300 HydrophobicContact CE2-CD2 3.66Å; Y293-F300 HydrophobicContact CE2-CE2 4.19Å; Y293-F300 HydrophobicContact CE2-CG 4.16Å; F300-L304 HydrophobicContact CD2-CB 4Å; F300-L304 HydrophobicContact CE2-CB 3.72Å; F300-H305 AromaticContact CD1-CD2 3.89Å; F300-H305 AromaticContact CD1-CE1 3.23Å; F300-H305 WeakPolarHBondContact CD1-CE1 3.36Å; F300-H305 AromaticContact CD1-ND1 3.81Å; F300-H305 AromaticContact CD1-NE2 3.29Å; F300-H305 VanDerWaalsContact CD1-NE2 3.29Å; F300-H305 WeakPolarHBondContact CD1-NE2 3.49Å; F300-H305 AromaticContact CD2-CD2 3.57Å; F300-H305 AromaticContact CD2-NE2 3.73Å; F300-H305 AromaticContact CE1-CE1 3.49Å; F300-H305 VanDerWaalsContact CE1-CE1 3.49Å; F300-H305 WeakPolarHBondContact CE1-CE1 3.23Å; F300-H305 AromaticContact CE1-CG 3.99Å; F300-H305 AromaticContact CE1-ND1 3.58Å; F300-H305 AromaticContact CE1-NE2 3.86Å; F300-H305 HydrophobicContact CE2-CB 4.44Å; F300-H305 AromaticContact CE2-CD2 3.87Å; F300-H305 AromaticContact CE2-CG 3.96Å; F300-H305 AromaticContact CG-CD2 3.59Å; F300-H305 AromaticContact CG-CE1 3.69Å; F300-H305 AromaticContact CG-NE2 3.21Å; F300-H305 WeakPolarHBondContact CG-NE2 3.14Å; F300-H305 HydrophobicContact CZ-CB 4.43Å; F300-H305 AromaticContact CZ-CG 3.88Å; F300-H305 AromaticContact CZ-ND1 3.9Å; F300-H305 PolarHBondContact O-CD2 2.03Å; F300-H305 PolarHBondContact O-NE2 3.26Å; F300-V308 HydrophobicContact CE2-CG2 4.33Å; F300-V308 HydrophobicContact CZ-CB 4.47Å; F300-V308 HydrophobicContact CZ-CG2 4.12Å
301L94.5Very high94.1Very high30 Ų3051.5 Ų51.516%0.15727%0.271CS..  trans-69.5141.8-174.8-54.8175.4000112.6P68 E299 H303 L304 H305P68-L301 HydrophobicContact CG-CD1 3.41Å; P68-L301 VanDerWaalsContact CG-CD1 3.41Å; E299-L301 HydrophobicContact CB-CD2 4.35Å; E299-L301 HydrophobicContact CG-CD2 4Å; E299-L301 PolarHBondContact O-N 3.23Å; L301-H303 VanDerWaalsContact C-N 3.29Å; L301-H303 VanDerWaalsContact CD1-CE1 3.47Å; L301-H303 WeakPolarHBondContact CD1-CE1 3.4Å; L301-H303 PolarHBondContact O-N 3.24Å; L301-H303 VanDerWaalsContact O-N 3.13Å; L301-L304 HydrophobicContact CB-CD1 4.16Å; L301-L304 HydrophobicContact CB-CG 4.3Å; L301-L304 HydrophobicContact CD1-CD1 4.34Å; L301-L304 HydrophobicContact CG-CD1 4.41Å; L301-L304 WeakPolarHBondContact O-CA 3.44Å; L301-L304 WeakPolarHBondContact O-CB 3.25Å; L301-L304 PolarHBondContact O-N 2.86Å; L301-H305 PolarHBondContact O-CD2 3.16Å; L301-H305 PolarHBondContact O-N 2.66Å; L301-H305 VanDerWaalsContact O-N 3.13Å
302P92.9Very high93.5Very high97 Ų9748.8 Ų48.863%0.6326%0.261SS*.Hα-helixtrans-54.7-36.3-175.8-29.635.2000115.6L304 H305 T306P302-L304 VanDerWaalsContact C-N 3.33Å; P302-H305 WeakPolarHBondContact O-CB 3.24Å; P302-H305 PolarHBondContact O-N 2.86Å; P302-T306 PolarHBondContact O-N 3.42Å; P302-T306 PolarHBondContact O-OG1 2.64Å
303H89Confident93Very high108 Ų10856.9 Ų56.950%0.529%0.292SS..Hα-helixtrans-68.5-33.9177.366.1-91.1000111.9L301 T306 W307L301-H303 VanDerWaalsContact C-N 3.29Å; L301-H303 VanDerWaalsContact CD1-CE1 3.47Å; L301-H303 WeakPolarHBondContact CD1-CE1 3.4Å; L301-H303 PolarHBondContact O-N 3.24Å; L301-H303 VanDerWaalsContact O-N 3.13Å; H303-T306 PolarHBondContact O-N 3.27Å; H303-W307 PolarHBondContact O-N 3.34Å
304L91.4Very high92.2Very high4 Ų457.6 Ų57.62%0.02130%0.3CS..Hα-helixtrans-70.5-37.7175.2-62.7175.4000111.2Q66 H67 Y293 F300 L301 P302 T306 W307 V308Q66-L304 HydrophobicContact CB-CD2 3.96Å; H67-L304 HydrophobicContact CB-CD1 4.21Å; H67-L304 VanDerWaalsContact CD2-CD1 3.48Å; H67-L304 WeakPolarHBondContact CD2-CD1 3.36Å; Y293-L304 HydrophobicContact CE2-CD1 4.16Å; F300-L304 HydrophobicContact CD2-CB 4Å; F300-L304 HydrophobicContact CE2-CB 3.72Å; L301-L304 HydrophobicContact CB-CD1 4.16Å; L301-L304 HydrophobicContact CB-CG 4.3Å; L301-L304 HydrophobicContact CD1-CD1 4.34Å; L301-L304 HydrophobicContact CG-CD1 4.41Å; L301-L304 WeakPolarHBondContact O-CA 3.44Å; L301-L304 WeakPolarHBondContact O-CB 3.25Å; L301-L304 PolarHBondContact O-N 2.86Å; P302-L304 VanDerWaalsContact C-N 3.33Å; L304-T306 VanDerWaalsContact C-N 3.26Å; L304-T306 PolarHBondContact O-N 3.19Å; L304-W307 PolarHBondContact O-N 3.3Å; L304-V308 WeakPolarHBondContact O-CB 3.18Å; L304-V308 VanDerWaalsContact O-CG2 3.28Å; L304-V308 WeakPolarHBondContact O-CG2 3.46Å; L304-V308 PolarHBondContact O-N 2.67Å
305H91.8Very high91Very high65 Ų6561.2 Ų61.230%0.30131%0.313SS..Hα-helixtrans-53.1-47.2171.6-79.8-97.7000111.4V286 F300 L301 P302 H309V286-H305 VanDerWaalsContact CG1-ND1 3.3Å; V286-H305 WeakPolarHBondContact CG1-ND1 3.39Å; F300-H305 AromaticContact CD1-CD2 3.89Å; F300-H305 AromaticContact CD1-CE1 3.23Å; F300-H305 WeakPolarHBondContact CD1-CE1 3.36Å; F300-H305 AromaticContact CD1-ND1 3.81Å; F300-H305 AromaticContact CD1-NE2 3.29Å; F300-H305 VanDerWaalsContact CD1-NE2 3.29Å; F300-H305 WeakPolarHBondContact CD1-NE2 3.49Å; F300-H305 AromaticContact CD2-CD2 3.57Å; F300-H305 AromaticContact CD2-NE2 3.73Å; F300-H305 AromaticContact CE1-CE1 3.49Å; F300-H305 VanDerWaalsContact CE1-CE1 3.49Å; F300-H305 WeakPolarHBondContact CE1-CE1 3.23Å; F300-H305 AromaticContact CE1-CG 3.99Å; F300-H305 AromaticContact CE1-ND1 3.58Å; F300-H305 AromaticContact CE1-NE2 3.86Å; F300-H305 HydrophobicContact CE2-CB 4.44Å; F300-H305 AromaticContact CE2-CD2 3.87Å; F300-H305 AromaticContact CE2-CG 3.96Å; F300-H305 AromaticContact CG-CD2 3.59Å; F300-H305 AromaticContact CG-CE1 3.69Å; F300-H305 AromaticContact CG-NE2 3.21Å; F300-H305 WeakPolarHBondContact CG-NE2 3.14Å; F300-H305 HydrophobicContact CZ-CB 4.43Å; F300-H305 AromaticContact CZ-CG 3.88Å; F300-H305 AromaticContact CZ-ND1 3.9Å; F300-H305 PolarHBondContact O-CD2 2.03Å; F300-H305 PolarHBondContact O-NE2 3.26Å; L301-H305 PolarHBondContact O-CD2 3.16Å; L301-H305 PolarHBondContact O-N 2.66Å; L301-H305 VanDerWaalsContact O-N 3.13Å; P302-H305 WeakPolarHBondContact O-CB 3.24Å; P302-H305 PolarHBondContact O-N 2.86Å; H305-H309 WeakPolarHBondContact O-CB 3.3Å; H305-H309 PolarHBondContact O-N 3.03Å; H305-H309 VanDerWaalsContact O-N 3.08Å
306T90.6Very high89.8Confident84 Ų8461.6 Ų61.652%0.51533%0.328SS..Hα-helixtrans-65.5-44.7179.5-57.50000111.3P302 H303 L304 H309 N310P302-T306 PolarHBondContact O-N 3.42Å; P302-T306 PolarHBondContact O-OG1 2.64Å; H303-T306 PolarHBondContact O-N 3.27Å; L304-T306 VanDerWaalsContact C-N 3.26Å; L304-T306 PolarHBondContact O-N 3.19Å; T306-H309 PolarHBondContact O-N 2.84Å; T306-N310 WeakPolarHBondContact O-CB 3.49Å; T306-N310 VanDerWaalsContact O-CG 3.23Å; T306-N310 PolarHBondContact O-N 3.24Å; T306-N310 PolarHBondContact O-ND2 3.23Å
307W90.3Very high88.4Confident37 Ų3765 Ų6514%0.1434%0.344CS..Hα-helixtrans-61.4-46.2177.6175.782.8000112.5Q62 L63 Q66 I148 H303 L304 H309 N310 I311Q62-W307 HydrophobicContact CB-CH2 3.96Å; Q62-W307 HydrophobicContact CB-CZ2 4.4Å; Q62-W307 WeakPolarHBondContact O-CH2 3.35Å; L63-W307 HydrophobicContact CD2-CH2 4.33Å; L63-W307 HydrophobicContact CD2-CZ3 3.75Å; Q66-W307 HydrophobicContact CG-CD2 4.42Å; Q66-W307 HydrophobicContact CG-CE3 4.48Å; Q66-W307 HydrophobicContact CG-CH2 3.74Å; Q66-W307 HydrophobicContact CG-CZ2 3.62Å; Q66-W307 HydrophobicContact CG-CZ3 4.16Å; I148-W307 VanDerWaalsContact CD1-CD1 3.45Å; I148-W307 HydrophobicContact CD1-CG 4.17Å; H303-W307 PolarHBondContact O-N 3.34Å; L304-W307 PolarHBondContact O-N 3.3Å; W307-H309 VanDerWaalsContact C-N 3.32Å; W307-H309 PolarHBondContact O-N 2.93Å; W307-N310 PolarHBondContact O-N 3.08Å; W307-I311 HydrophobicContact CH2-CD1 3.98Å; W307-I311 HydrophobicContact CZ2-CD1 3.33Å; W307-I311 WeakPolarHBondContact O-CG2 3.41Å; W307-I311 PolarHBondContact O-N 2.68Å
308V92.5Very high86.9Confident0 Ų063.3 Ų63.30%033%0.328CS..Hα-helixtrans-60.1-41.6177170.80000111.6L63 P285 V286 T289 F300 L304 I311 T312L63-V308 HydrophobicContact CD2-CG1 4.34Å; L63-V308 HydrophobicContact CD2-CG2 3.66Å; P285-V308 HydrophobicContact CB-CG1 3.89Å; V286-V308 HydrophobicContact CG2-CG1 4.29Å; T289-V308 HydrophobicContact CG2-CG2 4.22Å; F300-V308 HydrophobicContact CE2-CG2 4.33Å; F300-V308 HydrophobicContact CZ-CB 4.47Å; F300-V308 HydrophobicContact CZ-CG2 4.12Å; L304-V308 WeakPolarHBondContact O-CB 3.18Å; L304-V308 VanDerWaalsContact O-CG2 3.28Å; L304-V308 WeakPolarHBondContact O-CG2 3.46Å; L304-V308 PolarHBondContact O-N 2.67Å; V308-I311 WeakPolarHBondContact O-CG2 3.04Å; V308-T312 PolarHBondContact O-OG1 3.01Å
309H90.1Very high85.2Confident65 Ų6569 Ų6930%0.30136%0.358SS..Hα-helixtrans-62-44.5176.1-170.192.6000111.9V286 H305 T306 W307 T312 R313V286-H309 HydrophobicContact CG2-CB 4.36Å; H305-H309 WeakPolarHBondContact O-CB 3.3Å; H305-H309 PolarHBondContact O-N 3.03Å; H305-H309 VanDerWaalsContact O-N 3.08Å; T306-H309 PolarHBondContact O-N 2.84Å; W307-H309 VanDerWaalsContact C-N 3.32Å; W307-H309 PolarHBondContact O-N 2.93Å; H309-T312 PolarHBondContact O-OG1 2.89Å; H309-R313 PolarHBondContact CE1-NE 3.46Å; H309-R313 PolarHBondContact CE1-NH1 2.84Å; H309-R313 WeakPolarHBondContact NE2-CD 3.36Å; H309-R313 PolarHBondContact NE2-NH1 2.74Å; H309-R313 WeakPolarHBondContact O-CG 3.33Å
310N89.1Confident83.9Confident94 Ų9468.1 Ų68.150%0.50335%0.354SS..Hα-helixtrans-74.3-42.2-174.9-70.3-15.6000112.6T306 W307 T312 R313 G314T306-N310 WeakPolarHBondContact O-CB 3.49Å; T306-N310 VanDerWaalsContact O-CG 3.23Å; T306-N310 PolarHBondContact O-N 3.24Å; T306-N310 PolarHBondContact O-ND2 3.23Å; W307-N310 PolarHBondContact O-N 3.08Å; N310-T312 PolarHBondContact O-N 3.03Å; N310-R313 PolarHBondContact O-N 2.91Å; N310-G314 PolarHBondContact O-N 3.2Å
311I87.2Confident82.4Confident20 Ų2068.7 Ų68.710%0.10336%0.363CS..Hα-helixtrans-66.3-24.3-177.2-163.3168.6000112.9F59 W307 V308 A326 R327F59-I311 HydrophobicContact CD2-CG2 4.49Å; F59-I311 HydrophobicContact CE2-CG2 3.67Å; F59-I311 HydrophobicContact CZ-CG2 4.45Å; W307-I311 HydrophobicContact CH2-CD1 3.98Å; W307-I311 HydrophobicContact CZ2-CD1 3.33Å; W307-I311 WeakPolarHBondContact O-CG2 3.41Å; W307-I311 PolarHBondContact O-N 2.68Å; V308-I311 WeakPolarHBondContact O-CG2 3.04Å; I311-A326 VanDerWaalsContact O-CA 3.26Å; I311-A326 WeakPolarHBondContact O-CA 3.36Å; I311-R327 PolarHBondContact O-N 3.25Å
312T85.8Confident81.2Confident9 Ų971.5 Ų71.56%0.05537%0.374CS..THydrogen-bonded Turntrans-93-8.7179.753.70000114.3F59 P285 V308 H309 N310 R327 A329F59-T312 HydrophobicContact CE1-CG2 4.01Å; F59-T312 HydrophobicContact CE2-CG2 3.95Å; F59-T312 HydrophobicContact CZ-CG2 3.34Å; P285-T312 HydrophobicContact CB-CG2 3.82Å; P285-T312 HydrophobicContact CG-CG2 4.28Å; P285-T312 WeakPolarHBondContact CG-OG1 3.37Å; V308-T312 PolarHBondContact O-OG1 3.01Å; H309-T312 PolarHBondContact O-OG1 2.89Å; N310-T312 PolarHBondContact O-N 3.03Å; T312-R327 CarbonylContact C-O 3.48Å; T312-A329 HydrophobicContact CG2-CB 4.37Å; T312-A329 PolarHBondContact O-N 3.47Å
313R87.1Confident80.3Confident171 Ų17171 Ų7165%0.64536%0.364SS*.BIsolated β-bridgetrans-118.923-177.8-65.4-177.6173.9-160.5-4112.9H309 N310H309-R313 PolarHBondContact CE1-NE 3.46Å; H309-R313 PolarHBondContact CE1-NH1 2.84Å; H309-R313 WeakPolarHBondContact NE2-CD 3.36Å; H309-R313 PolarHBondContact NE2-NH1 2.74Å; H309-R313 WeakPolarHBondContact O-CG 3.33Å; N310-R313 PolarHBondContact O-N 2.91Å
314G81.1Confident79.7Confident17 Ų1767.2 Ų67.218%0.17535%0.348CS..  trans-64.9170.7172.700000112.1N310 R327 D328N310-G314 PolarHBondContact O-N 3.2Å; G314-R327 PolarHBondContact N-O 2.64Å; G314-R327 CarbonylContact O-C 3.59Å; G314-R327 VanDerWaalsContact O-C 3.27Å; G314-D328 PolarHBondContact O-N 3.18Å
315K73.3Confident79Confident206 Ų20669.2 Ų69.290%0.89636%0.358SS*.SBendtrans-89143.5176.8-66-176.6-179.9179.20111
316G74.2Confident78.5Confident46 Ų4668.3 Ų68.347%0.47436%0.363SS..SBendtrans78.3-170.1172.800000114.8D328G316-D328 PolarHBondContact O-N 3.31Å; G316-D328 VanDerWaalsContact O-N 3.1Å
317M68.1Low78.2Confident76 Ų7666.2 Ų66.237%0.37435%0.345SS..SBendtrans-94.1-4.6-175.9-62.9-167-176.700114.1V332 W338M317-V332 HydrophobicContact CB-CG2 4.09Å; M317-V332 HydrophobicContact CG-CG2 4.28Å; M317-W338 HydrophobicContact CE-CZ2 4.14Å
318G66.2Low78.1Confident27 Ų2767.3 Ų67.328%0.27835%0.354SS..  trans84.1148-168.600000112.9
319D61Low77.8Confident131 Ų13167.5 Ų67.570%0.70136%0.355SS*.SBendtrans-81-36.3-170.3-52.8-47.1000113.2
320H68.7Low77.8Confident119 Ų11967.8 Ų67.855%0.55136%0.359SS*.SBendtrans-130.1142.2-179.9-64.1-73.2000112.6F322 Q323H320-F322 VanDerWaalsContact C-N 3.28Å; H320-F322 PolarHBondContact O-N 3.2Å; H320-Q323 HydrophobicContact CB-CB 4.39Å; H320-Q323 HydrophobicContact CB-CG 3.9Å; H320-Q323 PolarHBondContact CD2-NE2 3.26Å; H320-Q323 VanDerWaalsContact CD2-NE2 3.34Å; H320-Q323 PolarHBondContact O-N 3.11Å
321A64.9Low77.9Confident37 Ų3766.1 Ų66.131%0.30635%0.35SS..THydrogen-bonded Turntrans-59.1-35.7-171.700000113.4R54 T219R54-A321 PolarHBondContact NH1-O 3.32Å; R54-A321 PolarHBondContact NH2-O 2.89Å; T219-A321 HydrophobicContact CG2-CB 3.44Å; T219-A321 VanDerWaalsContact CG2-CB 3.44Å
322F69.4Low78Confident88 Ų8866.1 Ų66.139%0.38635%0.351SS..THydrogen-bonded Turntrans-97.3-4.5-175.1-63.7-81000114.6R54 T219 D222 L223 H320R54-F322 VanDerWaalsContact NH1-CD1 3.35Å; T219-F322 HydrophobicContact CG2-CD2 4.47Å; T219-F322 HydrophobicContact CG2-CE2 3.56Å; T219-F322 HydrophobicContact CG2-CZ 3.77Å; D222-F322 HydrophobicContact CB-CE2 3.66Å; D222-F322 HydrophobicContact CB-CZ 3.75Å; D222-F322 WeakPolarHBondContact OD2-CE2 3.22Å; L223-F322 HydrophobicContact CD2-CZ 4.45Å; H320-F322 VanDerWaalsContact C-N 3.28Å; H320-F322 PolarHBondContact O-N 3.2Å
323Q74Confident78.4Confident88 Ų8865.9 Ų65.941%0.41135%0.349SS..  trans-77.7146.4176.3-72.5177.4-9.800110.8H320 R327H320-Q323 HydrophobicContact CB-CB 4.39Å; H320-Q323 HydrophobicContact CB-CG 3.9Å; H320-Q323 PolarHBondContact CD2-NE2 3.26Å; H320-Q323 VanDerWaalsContact CD2-NE2 3.34Å; H320-Q323 PolarHBondContact O-N 3.11Å; Q323-R327 PolarHBondContact O-NH2 3.23Å
324T76.4Confident78.8Confident27 Ų2759.7 Ų59.717%0.16633%0.328CS..  trans-104.249173.651.70000110.9Q62Q62-T324 HydrophobicContact CG-CG2 4.1Å
325N78.2Confident79.5Confident46 Ų4658.9 Ų58.925%0.24632%0.319CS..  trans-80.9163.8173.561.7-15.6000111.6R327N325-R327 PolarHBondContact O-N 2.98Å; N325-R327 PolarHBondContact O-NE 2.92Å
326A79.6Confident80.7Confident47 Ų4749.3 Ų49.339%0.38828%0.278SS..  trans-62.3130.1176.300000110.4I311I311-A326 VanDerWaalsContact O-CA 3.26Å; I311-A326 WeakPolarHBondContact O-CA 3.36Å
327R84.4Confident81.8Confident40 Ų4047.5 Ų47.515%0.15126%0.256CS..  trans-152.4168.8179.875.1-167.9100-167.811.6110.9I311 T312 G314 Q323 N325 A329 V332I311-R327 PolarHBondContact O-N 3.25Å; T312-R327 CarbonylContact C-O 3.48Å; G314-R327 PolarHBondContact N-O 2.64Å; G314-R327 CarbonylContact O-C 3.59Å; G314-R327 VanDerWaalsContact O-C 3.27Å; Q323-R327 PolarHBondContact O-NH2 3.23Å; N325-R327 PolarHBondContact O-N 2.98Å; N325-R327 PolarHBondContact O-NE 2.92Å; R327-A329 VanDerWaalsContact C-N 3.33Å; R327-A329 PolarHBondContact O-N 3.44Å; R327-V332 HydrophobicContact CG-CG2 4.31Å
328D88.1Confident83.1Confident60 Ų6047.7 Ų47.732%0.32125%0.253SS..BIsolated β-bridgetrans-75.189171.7-176.2-18.4000109.1G314 G316 L330 N331 V332G314-D328 PolarHBondContact O-N 3.18Å; G316-D328 PolarHBondContact O-N 3.31Å; G316-D328 VanDerWaalsContact O-N 3.1Å; D328-L330 VanDerWaalsContact C-N 3.27Å; D328-L330 PolarHBondContact O-N 2.84Å; D328-L330 PolarHBondContact OD1-N 3.48Å; D328-N331 HydrophobicContact CB-CB 3.99Å; D328-N331 PolarHBondContact O-N 3.34Å; D328-N331 VanDerWaalsContact OD1-CB 3.3Å; D328-N331 WeakPolarHBondContact OD1-CB 3.36Å; D328-N331 PolarHBondContact OD1-N 3.14Å; D328-N331 WeakPolarHBondContact OD2-CB 3.03Å; D328-V332 WeakPolarHBondContact O-CB 3.09Å; D328-V332 VanDerWaalsContact O-CG2 3.22Å; D328-V332 WeakPolarHBondContact O-CG2 3.37Å; D328-V332 PolarHBondContact O-N 2.98Å
329A87.9Confident84.5Confident4 Ų448.6 Ų48.63%0.03326%0.255CS..Hα-helixtrans-66-32.4-171.200000112.3V282 T312 R327 S333V282-A329 HydrophobicContact CB-CB 3.88Å; V282-A329 HydrophobicContact CG1-CB 3.67Å; T312-A329 HydrophobicContact CG2-CB 4.37Å; T312-A329 PolarHBondContact O-N 3.47Å; R327-A329 VanDerWaalsContact C-N 3.33Å; R327-A329 PolarHBondContact O-N 3.44Å; A329-S333 WeakPolarHBondContact O-CB 3.36Å; A329-S333 PolarHBondContact O-N 3.09Å
330L89.8Confident86.3Confident71 Ų7142.5 Ų42.537%0.37222%0.222SC..Hα-helixtrans-68.6-50.8177.2-178.662.8000110.6V282 R283 D328 V332 S333 Q334V282-L330 HydrophobicContact CG2-CD1 4.48Å; R283-L330 HydrophobicContact CG-CD1 3.89Å; D328-L330 VanDerWaalsContact C-N 3.27Å; D328-L330 PolarHBondContact O-N 2.84Å; D328-L330 PolarHBondContact OD1-N 3.48Å; L330-V332 VanDerWaalsContact C-N 3.33Å; L330-V332 PolarHBondContact O-N 2.94Å; L330-S333 WeakPolarHBondContact O-CB 2.99Å; L330-S333 PolarHBondContact O-N 3.45Å; L330-S333 VanDerWaalsContact O-N 3.12Å; L330-S333 PolarHBondContact O-OG 2.93Å; L330-Q334 PolarHBondContact O-N 2.62Å
331N90.6Very high87.7Confident58 Ų5839.5 Ų39.531%0.3121%0.214SC..Hα-helixtrans-61.7-42.1177.5-170.625.4000111.3D328 S333 Q334 A335 W338D328-N331 HydrophobicContact CB-CB 3.99Å; D328-N331 PolarHBondContact O-N 3.34Å; D328-N331 VanDerWaalsContact OD1-CB 3.3Å; D328-N331 WeakPolarHBondContact OD1-CB 3.36Å; D328-N331 PolarHBondContact OD1-N 3.14Å; D328-N331 WeakPolarHBondContact OD2-CB 3.03Å; N331-S333 VanDerWaalsContact C-N 3.28Å; N331-S333 PolarHBondContact O-N 3.11Å; N331-Q334 PolarHBondContact O-N 3.34Å; N331-Q334 VanDerWaalsContact O-N 3.15Å; N331-A335 PolarHBondContact O-N 3.18Å; N331-A335 VanDerWaalsContact O-N 3.15Å; N331-W338 VanDerWaalsContact O-CH2 3.27Å; N331-W338 WeakPolarHBondContact O-CH2 3Å; N331-W338 WeakPolarHBondContact OD1-CH2 3.44Å; N331-W338 VanDerWaalsContact OD1-CZ2 3.26Å; N331-W338 WeakPolarHBondContact OD1-CZ2 3.42Å
332V90.3Very high89.3Confident20 Ų2039.9 Ų39.912%0.12121%0.208CC..Hα-helixtrans-61.6-35.3175.2169.20000112.3M317 R327 D328 L330 Q334 A335M317-V332 HydrophobicContact CB-CG2 4.09Å; M317-V332 HydrophobicContact CG-CG2 4.28Å; R327-V332 HydrophobicContact CG-CG2 4.31Å; D328-V332 WeakPolarHBondContact O-CB 3.09Å; D328-V332 VanDerWaalsContact O-CG2 3.22Å; D328-V332 WeakPolarHBondContact O-CG2 3.37Å; D328-V332 PolarHBondContact O-N 2.98Å; L330-V332 VanDerWaalsContact C-N 3.33Å; L330-V332 PolarHBondContact O-N 2.94Å; V332-Q334 VanDerWaalsContact C-N 3.27Å; V332-Q334 PolarHBondContact O-N 3.28Å; V332-A335 PolarHBondContact O-N 3.04Å
333S93.7Very high90.7Very high4 Ų442 Ų423%0.02822%0.218CC..Hα-helixtrans-63.3-33.9176.978.40000112.6A329 L330 N331A329-S333 WeakPolarHBondContact O-CB 3.36Å; A329-S333 PolarHBondContact O-N 3.09Å; L330-S333 WeakPolarHBondContact O-CB 2.99Å; L330-S333 PolarHBondContact O-N 3.45Å; L330-S333 VanDerWaalsContact O-N 3.12Å; L330-S333 PolarHBondContact O-OG 2.93Å; N331-S333 VanDerWaalsContact C-N 3.28Å; N331-S333 PolarHBondContact O-N 3.11Å
334Q95.6Very high91.8Very high41 Ų4141.1 Ų41.119%0.19221%0.214CC..Hα-helixtrans-94.4-3.5-176.8-58.5-168.528.100113.6L330 N331 V332 W336 R337 W338L330-Q334 PolarHBondContact O-N 2.62Å; N331-Q334 PolarHBondContact O-N 3.34Å; N331-Q334 VanDerWaalsContact O-N 3.15Å; V332-Q334 VanDerWaalsContact C-N 3.27Å; V332-Q334 PolarHBondContact O-N 3.28Å; Q334-W336 PolarHBondContact O-N 2.73Å; Q334-R337 WeakPolarHBondContact O-CB 3.42Å; Q334-R337 VanDerWaalsContact O-CG 3.28Å; Q334-R337 WeakPolarHBondContact O-CG 3.41Å; Q334-R337 PolarHBondContact O-N 3.11Å; Q334-W338 HydrophobicContact CB-CH2 4.07Å; Q334-W338 HydrophobicContact CB-CZ3 3.74Å; Q334-W338 WeakPolarHBondContact O-CZ3 3.32Å
335A95.6Very high92.9Very high0 Ų039.9 Ų39.90%021%0.206CC..THydrogen-bonded Turntrans-61.6-16.7-169.200000116.3R214 N331 V332 R337 W338 S339R214-A335 VanDerWaalsContact CZ-CB 3.41Å; R214-A335 PolarHBondContact NE-O 2.8Å; N331-A335 PolarHBondContact O-N 3.18Å; N331-A335 VanDerWaalsContact O-N 3.15Å; V332-A335 PolarHBondContact O-N 3.04Å; A335-R337 PolarHBondContact O-N 3.27Å; A335-W338 HydrophobicContact CB-CH2 3.97Å; A335-W338 HydrophobicContact CB-CZ2 3.55Å; A335-S339 VanDerWaalsContact O-CB 3.28Å; A335-S339 WeakPolarHBondContact O-CB 3.25Å; A335-S339 PolarHBondContact O-N 3.04Å; A335-S339 VanDerWaalsContact O-N 3.15Å; A335-S339 PolarHBondContact O-OG 2.97Å
336W97.8Very high93.9Very high6 Ų639 Ų392%0.02320%0.204CC..Hα-helixtrans-64.5-30.2171.568-94.2000112.5R210 A211 R214 Q334 W338 S339 L340 V345 V364 Q370 L377R210-W336 HydrophobicContact CB-CB 4.3Å; R210-W336 HydrophobicContact CB-CD2 3.52Å; R210-W336 HydrophobicContact CB-CE3 3.67Å; R210-W336 HydrophobicContact CB-CG 3.82Å; R210-W336 HydrophobicContact CB-CZ2 4.47Å; R210-W336 HydrophobicContact CB-CZ3 4.22Å; R210-W336 VanDerWaalsContact CD-CZ3 3.49Å; R210-W336 HydrophobicContact CG-CD2 4.49Å; R210-W336 HydrophobicContact CG-CE3 4.29Å; R210-W336 HydrophobicContact CG-CZ3 4.38Å; R210-W336 VanDerWaalsContact NE-CH2 3.29Å; R210-W336 VanDerWaalsContact NE-CZ2 3.3Å; R210-W336 WeakPolarHBondContact O-CB 3.4Å; A211-W336 HydrophobicContact CB-CG 4.5Å; R214-W336 HydrophobicContact CB-CB 4.17Å; Q334-W336 PolarHBondContact O-N 2.73Å; W336-W338 VanDerWaalsContact C-N 3.29Å; W336-W338 PolarHBondContact O-N 3.28Å; W336-S339 PolarHBondContact O-N 3.18Å; W336-L340 HydrophobicContact CB-CD1 4.03Å; W336-L340 HydrophobicContact CB-CG 4.39Å; W336-L340 PolarHBondContact O-N 3.28Å; W336-V345 HydrophobicContact CE3-CG1 4.47Å; W336-V345 HydrophobicContact CE3-CG2 4.16Å; W336-V345 HydrophobicContact CZ3-CG1 3.99Å; W336-V345 HydrophobicContact CZ3-CG2 4.4Å; W336-V364 HydrophobicContact CH2-CG1 4.23Å; W336-V364 HydrophobicContact CH2-CG2 4.39Å; W336-V364 HydrophobicContact CZ3-CG2 4.3Å; W336-Q370 HydrophobicContact CE3-CG 4.41Å; W336-Q370 HydrophobicContact CZ3-CG 3.85Å; W336-L377 HydrophobicContact CH2-CD1 3.6Å; W336-L377 HydrophobicContact CZ2-CD1 3.66Å
337R97.8Very high94.8Very high7 Ų741.1 Ų41.13%0.02620%0.201CC..Hα-helixtrans-58.6-40-178.3-67.3-168.877.1160.715.2111.8Q334 A335 E369 Q370 R371 N372 L373 L375Q334-R337 WeakPolarHBondContact O-CB 3.42Å; Q334-R337 VanDerWaalsContact O-CG 3.28Å; Q334-R337 WeakPolarHBondContact O-CG 3.41Å; Q334-R337 PolarHBondContact O-N 3.11Å; A335-R337 PolarHBondContact O-N 3.27Å; R337-E369 PolarHBondContact NH2-O 2.95Å; R337-Q370 VanDerWaalsContact CB-O 3.27Å; R337-Q370 WeakPolarHBondContact CB-O 3.38Å; R337-Q370 PolarHBondContact NE-O 2.7Å; R337-Q370 PolarHBondContact NH2-O 3.07Å; R337-Q370 VanDerWaalsContact O-CG 3.3Å; R337-Q370 WeakPolarHBondContact O-CG 3.46Å; R337-Q370 PolarHBondContact O-NE2 3.44Å; R337-R371 WeakPolarHBondContact O-CD 3.29Å; R337-N372 PolarHBondContact NH1-O 2.94Å; R337-N372 VanDerWaalsContact NH1-O 3.1Å; R337-N372 PolarHBondContact NH2-O 2.96Å; R337-L373 HydrophobicContact CB-CD2 3.93Å; R337-L373 HydrophobicContact CG-CD2 4.37Å; R337-L375 PolarHBondContact NH1-O 3Å
338W95.4Very high95.4Very high80 Ų8039.2 Ų39.230%0.30319%0.194SC..Hα-helixtrans-108-9.9179.961.492.7000115.4M317 N331 Q334 A335 W336 R371 L373M317-W338 HydrophobicContact CE-CZ2 4.14Å; N331-W338 VanDerWaalsContact O-CH2 3.27Å; N331-W338 WeakPolarHBondContact O-CH2 3Å; N331-W338 WeakPolarHBondContact OD1-CH2 3.44Å; N331-W338 VanDerWaalsContact OD1-CZ2 3.26Å; N331-W338 WeakPolarHBondContact OD1-CZ2 3.42Å; Q334-W338 HydrophobicContact CB-CH2 4.07Å; Q334-W338 HydrophobicContact CB-CZ3 3.74Å; Q334-W338 WeakPolarHBondContact O-CZ3 3.32Å; A335-W338 HydrophobicContact CB-CH2 3.97Å; A335-W338 HydrophobicContact CB-CZ2 3.55Å; W336-W338 VanDerWaalsContact C-N 3.29Å; W336-W338 PolarHBondContact O-N 3.28Å; W338-R371 PolarHBondContact O-NH1 3.34Å; W338-L373 HydrophobicContact CE3-CD1 4.36Å; W338-L373 HydrophobicContact CE3-CD2 3.81Å; W338-L373 HydrophobicContact CZ3-CD1 4.08Å; W338-L373 HydrophobicContact CZ3-CD2 3.68Å
339S96.2Very high95.9Very high46 Ų4636.9 Ų36.932%0.32218%0.181SC..Hα-helixtrans-101.4-22.2-17876.60000114.3R214 A335 W336R214-S339 WeakPolarHBondContact CD-OG 3.38Å; R214-S339 WeakPolarHBondContact CG-OG 3.34Å; R214-S339 PolarHBondContact NE-OG 3.44Å; A335-S339 VanDerWaalsContact O-CB 3.28Å; A335-S339 WeakPolarHBondContact O-CB 3.25Å; A335-S339 PolarHBondContact O-N 3.04Å; A335-S339 VanDerWaalsContact O-N 3.15Å; A335-S339 PolarHBondContact O-OG 2.97Å; W336-S339 PolarHBondContact O-N 3.18Å
340L97.9Very high96.4Very high3 Ų344.9 Ų44.92%0.01622%0.215CC..SBendtrans-94.9138.5179.8-67.5-176.6000110.7F213 R214 E217 W336 V345 Q370F213-L340 HydrophobicContact CD1-CD1 4.07Å; F213-L340 HydrophobicContact CD1-CD2 4.47Å; R214-L340 HydrophobicContact CB-CD1 3.95Å; R214-L340 HydrophobicContact CB-CD2 4.06Å; R214-L340 HydrophobicContact CB-CG 4.02Å; R214-L340 HydrophobicContact CG-CD2 4.24Å; R214-L340 HydrophobicContact CG-CG 4.3Å; E217-L340 WeakPolarHBondContact OE2-CD2 3.44Å; W336-L340 HydrophobicContact CB-CD1 4.03Å; W336-L340 HydrophobicContact CB-CG 4.39Å; W336-L340 PolarHBondContact O-N 3.28Å; L340-V345 HydrophobicContact CB-CG2 3.71Å; L340-V345 HydrophobicContact CD1-CG2 3.95Å; L340-Q370 PolarHBondContact O-NE2 3.29Å
341P98.2Very high96.8Very high57 Ų5742.8 Ų42.837%0.3721%0.209SC..  trans-60143.9164.8-21.433.2000111.1E343 K344 V345P341-E343 PolarHBondContact O-N 3.04Å; P341-K344 HydrophobicContact CB-CG 4.46Å; P341-K344 HydrophobicContact CG-CG 4.47Å; P341-K344 PolarHBondContact O-N 3.38Å; P341-V345 PolarHBondContact O-N 2.97Å
342Y98.6Very high97.2Very high45 Ų4540.2 Ų40.218%0.17620%0.195CC..Hα-helixtrans-62.1-32.8-177.4174.3-108.3000112.4K344 V345 S346 V364 R365 S366 E367 Q370Y342-K344 VanDerWaalsContact C-N 3.33Å; Y342-K344 PolarHBondContact O-N 3.09Å; Y342-V345 PolarHBondContact O-N 2.84Å; Y342-V345 VanDerWaalsContact O-N 3.16Å; Y342-S346 WeakPolarHBondContact O-CB 3.27Å; Y342-S346 PolarHBondContact O-N 3.3Å; Y342-V364 HydrophobicContact CE2-CG2 4.26Å; Y342-R365 WeakPolarHBondContact OH-CA 3.17Å; Y342-R365 PolarHBondContact OH-O 3.23Å; Y342-S366 VanDerWaalsContact CE2-C 3.49Å; Y342-S366 PolarHBondContact OH-N 3.33Å; Y342-E367 HydrophobicContact CG-CB 4.19Å; Y342-Q370 VanDerWaalsContact CA-OE1 3.29Å; Y342-Q370 HydrophobicContact CD2-CB 4.38Å
343E98.3Very high97.5Very high131 Ų13139.8 Ų39.861%0.61219%0.194SC*.Hα-helixtrans-61.3-42.5178.2-61.969.5-150.500111.2P341 R347P341-E343 PolarHBondContact O-N 3.04Å; E343-R347 WeakPolarHBondContact O-CB 3.23Å; E343-R347 PolarHBondContact O-N 2.97Å
344K98.2Very high97.7Very high71 Ų7145.1 Ų45.131%0.30922%0.223SC..Hα-helixtrans-65.7-42.7175.5-63.9-160-174.3-172.60111.1F213 E217 Y245 P341 Y342 R347 L348F213-K344 HydrophobicContact CE1-CB 4.47Å; F213-K344 HydrophobicContact CE1-CD 4.3Å; E217-K344 IonicContact OE1-NZ 2.69Å; E217-K344 PolarHBondContact OE1-NZ 3.31Å; E217-K344 IonicContact OE2-NZ 3.58Å; Y245-K344 WeakPolarHBondContact OH-CB 3.48Å; Y245-K344 WeakPolarHBondContact OH-CG 3.43Å; P341-K344 HydrophobicContact CB-CG 4.46Å; P341-K344 HydrophobicContact CG-CG 4.47Å; P341-K344 PolarHBondContact O-N 3.38Å; Y342-K344 VanDerWaalsContact C-N 3.33Å; Y342-K344 PolarHBondContact O-N 3.09Å; K344-R347 PolarHBondContact O-N 2.98Å; K344-L348 WeakPolarHBondContact O-CB 3.26Å; K344-L348 PolarHBondContact O-N 2.91Å
345V98.7Very high97.7Very high0 Ų043.4 Ų43.40%022%0.215CC..Hα-helixtrans-62.7-47.8177.5172.40000110.8R210 W336 L340 P341 Y342 R347 L348 Q349 V364R210-V345 HydrophobicContact CG-CG1 4.24Å; W336-V345 HydrophobicContact CE3-CG1 4.47Å; W336-V345 HydrophobicContact CE3-CG2 4.16Å; W336-V345 HydrophobicContact CZ3-CG1 3.99Å; W336-V345 HydrophobicContact CZ3-CG2 4.4Å; L340-V345 HydrophobicContact CB-CG2 3.71Å; L340-V345 HydrophobicContact CD1-CG2 3.95Å; P341-V345 PolarHBondContact O-N 2.97Å; Y342-V345 PolarHBondContact O-N 2.84Å; Y342-V345 VanDerWaalsContact O-N 3.16Å; V345-R347 VanDerWaalsContact C-N 3.33Å; V345-R347 PolarHBondContact O-N 2.68Å; V345-L348 PolarHBondContact O-N 3.06Å; V345-Q349 HydrophobicContact CG1-CG 4.29Å; V345-Q349 WeakPolarHBondContact O-CB 3.21Å; V345-Q349 VanDerWaalsContact O-CG 3.3Å; V345-Q349 WeakPolarHBondContact O-CG 3.47Å; V345-Q349 PolarHBondContact O-N 3.12Å; V345-V364 HydrophobicContact CG1-CG2 3.78Å
346S98.6Very high97.8Very high29 Ų2943.4 Ų43.420%0.20322%0.216CC..Hα-helixtrans-58.9-45177.8-178.90000111.3Y342 Q349 K350Y342-S346 WeakPolarHBondContact O-CB 3.27Å; Y342-S346 PolarHBondContact O-N 3.3Å; S346-Q349 PolarHBondContact O-N 3.07Å; S346-K350 WeakPolarHBondContact O-CG 3.2Å; S346-K350 PolarHBondContact O-N 3.05Å; S346-K350 VanDerWaalsContact O-N 3.13Å
347R98.4Very high97.7Very high90 Ų9048.1 Ų48.134%0.3424%0.241SC..Hα-helixtrans-62.2-44.3175.7-176.1175.7170.8-178.31.5112.5D242 Y245 E343 K344 V345 K350 A351D242-R347 IonicContact OD1-CZ 3.71Å; D242-R347 IonicContact OD1-NH1 3.57Å; D242-R347 PolarHBondContact OD1-NH1 3.39Å; D242-R347 IonicContact OD1-NH2 3.36Å; D242-R347 PolarHBondContact OD1-NH2 3.38Å; Y245-R347 HydrophobicContact CD1-CB 4.34Å; Y245-R347 HydrophobicContact CD1-CG 3.75Å; Y245-R347 HydrophobicContact CE1-CB 3.79Å; Y245-R347 HydrophobicContact CE1-CG 3.59Å; Y245-R347 HydrophobicContact CG-CG 4.29Å; E343-R347 WeakPolarHBondContact O-CB 3.23Å; E343-R347 PolarHBondContact O-N 2.97Å; K344-R347 PolarHBondContact O-N 2.98Å; V345-R347 VanDerWaalsContact C-N 3.33Å; V345-R347 PolarHBondContact O-N 2.68Å; R347-K350 WeakPolarHBondContact O-CB 3.39Å; R347-K350 PolarHBondContact O-N 2.88Å; R347-A351 PolarHBondContact O-N 2.02Å
348L98.6Very high97.5Very high0 Ų051.2 Ų51.20%026%0.258CS..Hα-helixtrans-65-40.9177177.566.6000112.4R210 F213 Y245 M248 K344 V345 K350 A351 C352R210-L348 HydrophobicContact CB-CD2 4.23Å; R210-L348 HydrophobicContact CG-CD2 3.97Å; F213-L348 HydrophobicContact CB-CD1 4.31Å; F213-L348 HydrophobicContact CB-CD2 3.38Å; F213-L348 HydrophobicContact CB-CG 4.47Å; F213-L348 HydrophobicContact CD1-CD2 4.18Å; F213-L348 HydrophobicContact CD2-CD1 4.04Å; F213-L348 HydrophobicContact CD2-CD2 4.29Å; F213-L348 HydrophobicContact CG-CD1 4.3Å; F213-L348 HydrophobicContact CG-CD2 3.71Å; Y245-L348 HydrophobicContact CD1-CB 4.31Å; Y245-L348 HydrophobicContact CE1-CB 4.18Å; M248-L348 HydrophobicContact CB-CD1 3.62Å; M248-L348 HydrophobicContact CE-CD1 4.4Å; M248-L348 HydrophobicContact CG-CD1 3.7Å; K344-L348 WeakPolarHBondContact O-CB 3.26Å; K344-L348 PolarHBondContact O-N 2.91Å; V345-L348 PolarHBondContact O-N 3.06Å; L348-K350 PolarHBondContact O-N 3.19Å; L348-A351 WeakPolarHBondContact O-CB 3.43Å; L348-A351 PolarHBondContact O-N 3.06Å; L348-C352 PolarHBondContact O-N 3.44Å
349Q98.5Very high97.5Very high11 Ų1147.8 Ų47.85%0.05125%0.246CC..Hα-helixtrans-59.9-33.2175.2-78.2-176162.600112V345 S346 G353 M356 H363 V364V345-Q349 HydrophobicContact CG1-CG 4.29Å; V345-Q349 WeakPolarHBondContact O-CB 3.21Å; V345-Q349 VanDerWaalsContact O-CG 3.3Å; V345-Q349 WeakPolarHBondContact O-CG 3.47Å; V345-Q349 PolarHBondContact O-N 3.12Å; S346-Q349 PolarHBondContact O-N 3.07Å; Q349-G353 WeakPolarHBondContact O-CA 3.07Å; Q349-G353 PolarHBondContact O-N 2.96Å; Q349-M356 HydrophobicContact CB-SD 4.42Å; Q349-M356 HydrophobicContact CG-CE 4.05Å; Q349-M356 HydrophobicContact CG-SD 3.91Å; Q349-H363 PolarHBondContact O-CE1 2.94Å; Q349-V364 PolarHBondContact NE2-O 3.17Å; Q349-V364 VanDerWaalsContact OE1-CG2 3.29Å
350K98.2Very high97.4Very high172 Ų17245.8 Ų45.875%0.74823%0.232SC*.Hα-helixtrans-67.2-39.8171.8-66.8172.2-175.3-178.70111.8S346 R347 L348S346-K350 WeakPolarHBondContact O-CG 3.2Å; S346-K350 PolarHBondContact O-N 3.05Å; S346-K350 VanDerWaalsContact O-N 3.13Å; R347-K350 WeakPolarHBondContact O-CB 3.39Å; R347-K350 PolarHBondContact O-N 2.88Å; L348-K350 PolarHBondContact O-N 3.19Å
351A97.8Very high97.4Very high28 Ų2845.8 Ų45.823%0.23123%0.232CC..Hα-helixtrans-72.1-31.7-179.900000113.7Q249 R347 L348Q249-A351 HydrophobicContact CB-CB 4.4Å; R347-A351 PolarHBondContact O-N 2.02Å; L348-A351 WeakPolarHBondContact O-CB 3.43Å; L348-A351 PolarHBondContact O-N 3.06Å
352C98.5Very high97.4Very high3 Ų347.5 Ų47.52%0.0224%0.235CC..Hα-helixtrans-114.710.2-174.4-74.40000114.2P209 M248 C252 L348 D354 A355 M356P209-C352 HydrophobicContact CB-CB 4.09Å; P209-C352 HydrophobicContact CG-CB 3.98Å; M248-C352 PolarHBondContact O-SG 3.22Å; C252-C352 HydrophobicContact CB-CB 3.77Å; C252-C352 WeakPolarHBondContact CB-SG 3.29Å; C252-C352 WeakPolarHBondContact SG-CB 3.46Å; C252-C352 CovalentContact SG-SG 2.04Å; C252-C352 PolarHBondContact SG-SG 3.27Å; L348-C352 PolarHBondContact O-N 3.44Å; C352-D354 PolarHBondContact O-N 2.81Å; C352-A355 PolarHBondContact O-N 2.88Å; C352-A355 VanDerWaalsContact O-N 3.16Å; C352-M356 HydrophobicContact CB-CG 4.35Å; C352-M356 HydrophobicContact CB-SD 4.5Å; C352-M356 WeakPolarHBondContact O-CG 3.47Å; C352-M356 PolarHBondContact O-N 3.3Å
353G97.8Very high97.3Very high11 Ų1148 Ų4811%0.11324%0.239CC..Hα-helixtrans-56.7-44.2-167.900000114.3Q349 A355 M356 N357Q349-G353 WeakPolarHBondContact O-CA 3.07Å; Q349-G353 PolarHBondContact O-N 2.96Å; G353-A355 PolarHBondContact O-N 3.05Å; G353-M356 WeakPolarHBondContact O-CB 3.4Å; G353-M356 PolarHBondContact O-N 3.25Å; G353-N357 WeakPolarHBondContact O-CB 3.4Å; G353-N357 VanDerWaalsContact O-CG 3.24Å; G353-N357 PolarHBondContact O-N 2.61Å; G353-N357 PolarHBondContact O-ND2 3.25Å; G353-N357 VanDerWaalsContact O-ND2 3.15Å
354D96.5Very high97.3Very high116 Ų11641.9 Ų41.962%0.6221%0.21SC*.Hα-helixtrans-64-42179.6-65.9-20.8000112.4L256 C352 N357 L358L256-D354 HydrophobicContact CD2-CB 4.2Å; C352-D354 PolarHBondContact O-N 2.81Å; D354-N357 PolarHBondContact O-N 3.34Å; D354-L358 PolarHBondContact O-N 2.93Å
355A96.3Very high97.3Very high5 Ų548.2 Ų48.24%0.04123%0.232CC..Hα-helixtrans-66.4-40.8175.300000111.3C252 L256 C352 G353 L358 L359C252-A355 HydrophobicContact CB-CB 3.76Å; C252-A355 WeakPolarHBondContact O-CB 3.37Å; L256-A355 HydrophobicContact CB-CB 4.43Å; C352-A355 PolarHBondContact O-N 2.88Å; C352-A355 VanDerWaalsContact O-N 3.16Å; G353-A355 PolarHBondContact O-N 3.05Å; A355-L358 PolarHBondContact O-N 3.44Å; A355-L359 HydrophobicContact CB-CD1 4.49Å; A355-L359 VanDerWaalsContact O-CB 3.23Å; A355-L359 WeakPolarHBondContact O-CB 3.13Å; A355-L359 WeakPolarHBondContact O-CG 3.26Å; A355-L359 PolarHBondContact O-N 2.84Å
356M97.8Very high97.3Very high1 Ų150 Ų501%0.00525%0.245CC..Hα-helixtrans-59.7-49.4175.5-74.1-177.367.300111.4P209 R210 Q349 C352 G353 L358 L359 G360 Y361P209-M356 HydrophobicContact CG-CG 3.43Å; P209-M356 VanDerWaalsContact CG-CG 3.43Å; P209-M356 HydrophobicContact CG-SD 3.77Å; R210-M356 VanDerWaalsContact CZ-CE 3.44Å; Q349-M356 HydrophobicContact CB-SD 4.42Å; Q349-M356 HydrophobicContact CG-CE 4.05Å; Q349-M356 HydrophobicContact CG-SD 3.91Å; C352-M356 HydrophobicContact CB-CG 4.35Å; C352-M356 HydrophobicContact CB-SD 4.5Å; C352-M356 WeakPolarHBondContact O-CG 3.47Å; C352-M356 PolarHBondContact O-N 3.3Å; G353-M356 WeakPolarHBondContact O-CB 3.4Å; G353-M356 PolarHBondContact O-N 3.25Å; M356-L358 PolarHBondContact O-N 2.78Å; M356-L359 PolarHBondContact O-N 3.43Å; M356-G360 PolarHBondContact O-N 3.39Å; M356-Y361 PolarHBondContact O-N 2.85Å
357N95.8Very high97.3Very high104 Ų10453.1 Ų53.156%0.55626%0.256SS*.Hα-helixtrans-60.4-45.4179.3-70.2-32.7000111.9G353 D354G353-N357 WeakPolarHBondContact O-CB 3.4Å; G353-N357 VanDerWaalsContact O-CG 3.24Å; G353-N357 PolarHBondContact O-N 2.61Å; G353-N357 PolarHBondContact O-ND2 3.25Å; G353-N357 VanDerWaalsContact O-ND2 3.15Å; D354-N357 PolarHBondContact O-N 3.34Å
358L94.2Very high97.2Very high73 Ų7356.7 Ų56.738%0.38228%0.277SS..Hα-helixtrans-69.5-39.5-178.9-171.167000112.8L256 Y259 K260 D354 A355 M356 G360L256-L358 HydrophobicContact CD1-CB 3.74Å; L256-L358 HydrophobicContact CD1-CD2 3.33Å; L256-L358 HydrophobicContact CD1-CG 4.17Å; L256-L358 HydrophobicContact CG-CD2 4.3Å; Y259-L358 HydrophobicContact CD1-CD2 3.58Å; Y259-L358 HydrophobicContact CD1-CG 4.15Å; Y259-L358 HydrophobicContact CE1-CD1 4.38Å; Y259-L358 HydrophobicContact CE1-CD2 4.06Å; Y259-L358 HydrophobicContact CE1-CG 4.2Å; K260-L358 HydrophobicContact CG-CD2 3.98Å; D354-L358 PolarHBondContact O-N 2.93Å; A355-L358 PolarHBondContact O-N 3.44Å; M356-L358 PolarHBondContact O-N 2.78Å; L358-G360 VanDerWaalsContact C-N 3.26Å; L358-G360 PolarHBondContact O-N 3.49Å
359L94Very high97.2Very high8 Ų859.8 Ų59.84%0.04229%0.291CS..Hα-helixtrans-86.92.8-175.8-59.1172000112.7V206 H255 L275 A355 M356 Y361 W381V206-L359 HydrophobicContact CB-CD1 4.11Å; V206-L359 HydrophobicContact CG1-CD1 3.94Å; V206-L359 HydrophobicContact CG1-CD2 4.17Å; V206-L359 HydrophobicContact CG2-CD1 4.44Å; V206-L359 HydrophobicContact CG2-CD2 4.32Å; H255-L359 HydrophobicContact CB-CD1 4.21Å; L275-L359 HydrophobicContact CD2-CD2 4.14Å; A355-L359 HydrophobicContact CB-CD1 4.49Å; A355-L359 VanDerWaalsContact O-CB 3.23Å; A355-L359 WeakPolarHBondContact O-CB 3.13Å; A355-L359 WeakPolarHBondContact O-CG 3.26Å; A355-L359 PolarHBondContact O-N 2.84Å; M356-L359 PolarHBondContact O-N 3.43Å; L359-Y361 HydrophobicContact CB-CD2 3.84Å; L359-Y361 HydrophobicContact CB-CE2 3.67Å; L359-W381 PolarHBondContact O-NE1 3.48Å; L359-W381 VanDerWaalsContact O-NE1 3.1Å
360G95.2Very high97.2Very high4 Ų459.2 Ų59.24%0.04129%0.289CS..THydrogen-bonded Turntrans82.137172.100000114.6R277 M356 L358 L378 S379R277-G360 PolarHBondContact NH1-O 3.36Å; M356-G360 PolarHBondContact O-N 3.39Å; L358-G360 VanDerWaalsContact C-N 3.26Å; L358-G360 PolarHBondContact O-N 3.49Å; G360-L378 WeakPolarHBondContact O-CA 3.43Å; G360-S379 WeakPolarHBondContact CA-OG 3.48Å; G360-S379 PolarHBondContact O-N 3.33Å
361Y97.1Very high97.2Very high2 Ų255.6 Ų55.61%0.00827%0.27CS..BIsolated β-bridgetrans-107.3112174.9-60.4-69.6000110.7R207 D208 R277 E279 M356 L359 L378R207-Y361 WeakPolarHBondContact CA-OH 3.49Å; R207-Y361 PolarHBondContact N-OH 2.86Å; D208-Y361 HydrophobicContact CB-CD1 3.86Å; D208-Y361 HydrophobicContact CB-CE1 3.67Å; D208-Y361 VanDerWaalsContact N-CZ 3.3Å; D208-Y361 PolarHBondContact N-OH 2.91Å; D208-Y361 VanDerWaalsContact N-OH 3.07Å; R277-Y361 HydrophobicContact CG-CE1 4.16Å; R277-Y361 VanDerWaalsContact CG-OH 3.27Å; R277-Y361 WeakPolarHBondContact CG-OH 3.41Å; E279-Y361 HydrophobicContact CG-CE1 4.44Å; E279-Y361 VanDerWaalsContact OE2-CE1 3.26Å; E279-Y361 WeakPolarHBondContact OE2-CE1 3.34Å; E279-Y361 PolarHBondContact OE2-OH 3.26Å; M356-Y361 PolarHBondContact O-N 2.85Å; L359-Y361 HydrophobicContact CB-CD2 3.84Å; L359-Y361 HydrophobicContact CB-CE2 3.67Å; Y361-L378 HydrophobicContact CD1-CD2 3.65Å; Y361-L378 HydrophobicContact CE1-CD2 3.77Å
362H97.7Very high97.1Very high93 Ų9357.7 Ų57.743%0.43128%0.278SS..PPolyproline II helixtrans-72.4139.1176.5-64.3-52.9000111.8R210 L377R210-H362 PolarHBondContact NH1-O 3.35Å; R210-H362 PolarHBondContact NH2-O 3.49Å; R210-H362 VanDerWaalsContact NH2-O 3.14Å; H362-L377 HydrophobicContact CB-CD2 4.27Å; H362-L377 PolarHBondContact N-O 2.03Å
363H98.1Very high96.9Very high56 Ų5661.6 Ų61.626%0.25930%0.298SS..PPolyproline II helixtrans-73.9141.7175.6-71.9-110.3000110.9Q349Q349-H363 PolarHBondContact O-CE1 2.94Å
364V98.3Very high96.8Very high2 Ų268.9 Ų68.91%0.01233%0.333CS..PPolyproline II helixtrans-93137.9165.5-66.30000109.4W336 Y342 V345 Q349 E369 Q370 L377W336-V364 HydrophobicContact CH2-CG1 4.23Å; W336-V364 HydrophobicContact CH2-CG2 4.39Å; W336-V364 HydrophobicContact CZ3-CG2 4.3Å; Y342-V364 HydrophobicContact CE2-CG2 4.26Å; V345-V364 HydrophobicContact CG1-CG2 3.78Å; Q349-V364 PolarHBondContact NE2-O 3.17Å; Q349-V364 VanDerWaalsContact OE1-CG2 3.29Å; V364-E369 HydrophobicContact CB-CB 4.16Å; V364-E369 HydrophobicContact CG1-CB 4.29Å; V364-Q370 HydrophobicContact CB-CB 4.33Å; V364-Q370 HydrophobicContact CG2-CB 4.02Å; V364-Q370 HydrophobicContact CG2-CG 4.48Å; V364-L377 HydrophobicContact CG1-CD1 3.55Å; V364-L377 HydrophobicContact CG1-CD2 3.71Å; V364-L377 HydrophobicContact CG1-CG 4.3Å
365R97.4Very high96.7Very high204 Ų20466.3 Ų66.377%0.7732%0.319SS*.  trans-107.4-7.5-174-58.5177.9177.6178.2-0.3113.9Y342 E369Y342-R365 WeakPolarHBondContact OH-CA 3.17Å; Y342-R365 PolarHBondContact OH-O 3.23Å; R365-E369 WeakPolarHBondContact CB-OE2 3.42Å; R365-E369 PolarHBondContact N-OE2 3.39Å
366S98.3Very high96.6Very high39 Ų3969.9 Ų69.927%0.27334%0.338SS..SBendtrans-150.3163.4176.764.20000110.9Y342 Q368 E369 Q370Y342-S366 VanDerWaalsContact CE2-C 3.49Å; Y342-S366 PolarHBondContact OH-N 3.33Å; S366-Q368 PolarHBondContact O-N 2.91Å; S366-E369 PolarHBondContact O-N 2.91Å; S366-E369 PolarHBondContact OG-N 3.45Å; S366-E369 VanDerWaalsContact OG-N 3.1Å; S366-Q370 PolarHBondContact O-N 3.49Å
367E98.1Very high96.6Very high94 Ų9470.4 Ų70.444%0.43934%0.34SS..Hα-helixtrans-59.4-37.1169.8-178.3165.9-154.400111.1Y342 E369 Q370 R371Y342-E367 HydrophobicContact CG-CB 4.19Å; E367-E369 PolarHBondContact O-N 3.39Å; E367-Q370 WeakPolarHBondContact O-CB 3.35Å; E367-Q370 PolarHBondContact O-N 2.99Å; E367-Q370 VanDerWaalsContact O-N 3.15Å; E367-R371 HydrophobicContact CG-CG 3.89Å; E367-R371 WeakPolarHBondContact O-CG 3.31Å; E367-R371 PolarHBondContact O-N 3.01Å; E367-R371 IonicContact OE1-CZ 2.87Å; E367-R371 IonicContact OE1-NE 3.44Å; E367-R371 PolarHBondContact OE1-NE 3.44Å; E367-R371 VanDerWaalsContact OE1-NE 3.11Å; E367-R371 IonicContact OE1-NH2 3.58Å; E367-R371 PolarHBondContact OE1-NH2 3.32Å
368Q98.1Very high96.5Very high165 Ų16566.3 Ų66.377%0.77132%0.318SS*.Hα-helixtrans-62-45.1178.3-172.2166.7300112.3S366 Q370 R371 N372S366-Q368 PolarHBondContact O-N 2.91Å; Q368-Q370 VanDerWaalsContact C-N 3.34Å; Q368-R371 PolarHBondContact O-N 3.42Å; Q368-N372 WeakPolarHBondContact O-CB 3.43Å; Q368-N372 PolarHBondContact O-N 3Å; Q368-N372 VanDerWaalsContact O-N 3.09Å
369E98.1Very high96.4Very high64 Ų6464.4 Ų64.430%0.29931%0.311SS..Hα-helixtrans-62.3-42.3172.5-75.5177.6-154.600111.6R337 V364 R365 S366 E367 R371 N372 L375R337-E369 PolarHBondContact NH2-O 2.95Å; V364-E369 HydrophobicContact CB-CB 4.16Å; V364-E369 HydrophobicContact CG1-CB 4.29Å; R365-E369 WeakPolarHBondContact CB-OE2 3.42Å; R365-E369 PolarHBondContact N-OE2 3.39Å; S366-E369 PolarHBondContact O-N 2.91Å; S366-E369 PolarHBondContact OG-N 3.45Å; S366-E369 VanDerWaalsContact OG-N 3.1Å; E367-E369 PolarHBondContact O-N 3.39Å; E369-R371 VanDerWaalsContact C-N 3.33Å; E369-R371 PolarHBondContact O-N 3.23Å; E369-N372 PolarHBondContact O-N 2.85Å; E369-L375 HydrophobicContact CB-CD2 4.07Å; E369-L375 HydrophobicContact CG-CD2 4.25Å
370Q97.9Very high95.7Very high0 Ų070.4 Ų70.40%035%0.348CS..Hα-helixtrans-56.8-47176.4179.9-177.8-40.800111.5W336 R337 L340 Y342 V364 S366 E367 Q368W336-Q370 HydrophobicContact CE3-CG 4.41Å; W336-Q370 HydrophobicContact CZ3-CG 3.85Å; R337-Q370 VanDerWaalsContact CB-O 3.27Å; R337-Q370 WeakPolarHBondContact CB-O 3.38Å; R337-Q370 PolarHBondContact NE-O 2.7Å; R337-Q370 PolarHBondContact NH2-O 3.07Å; R337-Q370 VanDerWaalsContact O-CG 3.3Å; R337-Q370 WeakPolarHBondContact O-CG 3.46Å; R337-Q370 PolarHBondContact O-NE2 3.44Å; L340-Q370 PolarHBondContact O-NE2 3.29Å; Y342-Q370 VanDerWaalsContact CA-OE1 3.29Å; Y342-Q370 HydrophobicContact CD2-CB 4.38Å; V364-Q370 HydrophobicContact CB-CB 4.33Å; V364-Q370 HydrophobicContact CG2-CB 4.02Å; V364-Q370 HydrophobicContact CG2-CG 4.48Å; S366-Q370 PolarHBondContact O-N 3.49Å; E367-Q370 WeakPolarHBondContact O-CB 3.35Å; E367-Q370 PolarHBondContact O-N 2.99Å; E367-Q370 VanDerWaalsContact O-N 3.15Å; Q368-Q370 VanDerWaalsContact C-N 3.34Å
371R97.7Very high94.2Very high96 Ų9673.1 Ų73.136%0.36236%0.357SS..Hα-helixtrans-78-18.9-175-58.4-72.3178173.6-6.3113.4R337 W338 E367 Q368 E369 L373R337-R371 WeakPolarHBondContact O-CD 3.29Å; W338-R371 PolarHBondContact O-NH1 3.34Å; E367-R371 HydrophobicContact CG-CG 3.89Å; E367-R371 WeakPolarHBondContact O-CG 3.31Å; E367-R371 PolarHBondContact O-N 3.01Å; E367-R371 IonicContact OE1-CZ 2.87Å; E367-R371 IonicContact OE1-NE 3.44Å; E367-R371 PolarHBondContact OE1-NE 3.44Å; E367-R371 VanDerWaalsContact OE1-NE 3.11Å; E367-R371 IonicContact OE1-NH2 3.58Å; E367-R371 PolarHBondContact OE1-NH2 3.32Å; Q368-R371 PolarHBondContact O-N 3.42Å; E369-R371 VanDerWaalsContact C-N 3.33Å; E369-R371 PolarHBondContact O-N 3.23Å; R371-L373 PolarHBondContact O-N 3.36Å
372N97.1Very high91.8Very high72 Ų7279.1 Ų79.139%0.38540%0.395SS..  trans-75.188.6-176.6-178.63.5000113.2R337 Q368 E369 L374 L375R337-N372 PolarHBondContact NH1-O 2.94Å; R337-N372 VanDerWaalsContact NH1-O 3.1Å; R337-N372 PolarHBondContact NH2-O 2.96Å; Q368-N372 WeakPolarHBondContact O-CB 3.43Å; Q368-N372 PolarHBondContact O-N 3Å; Q368-N372 VanDerWaalsContact O-N 3.09Å; E369-N372 PolarHBondContact O-N 2.85Å; N372-L374 PolarHBondContact O-N 3.02Å; N372-L374 WeakPolarHBondContact OD1-CB 3.33Å; N372-L374 PolarHBondContact OD1-N 2.99Å; N372-L374 VanDerWaalsContact OD1-N 3.13Å; N372-L375 HydrophobicContact CB-CB 4.35Å; N372-L375 WeakPolarHBondContact O-CB 3.43Å; N372-L375 PolarHBondContact O-N 3.34Å
373L94.3Very high89.3Confident84 Ų8477.7 Ų77.744%0.4439%0.392SS..THydrogen-bonded Turntrans-60.1-15.7-178.9-57.8-173.6000115.3R337 W338 R371R337-L373 HydrophobicContact CB-CD2 3.93Å; R337-L373 HydrophobicContact CG-CD2 4.37Å; W338-L373 HydrophobicContact CE3-CD1 4.36Å; W338-L373 HydrophobicContact CE3-CD2 3.81Å; W338-L373 HydrophobicContact CZ3-CD1 4.08Å; W338-L373 HydrophobicContact CZ3-CD2 3.68Å; R371-L373 PolarHBondContact O-N 3.36Å
374L94.5Very high86.4Confident165 Ų16580 Ų8086%0.86441%0.412SS*.THydrogen-bonded Turntrans-80.1-19.1175.5-57.3176.6000112.8N372 D376N372-L374 PolarHBondContact O-N 3.02Å; N372-L374 WeakPolarHBondContact OD1-CB 3.33Å; N372-L374 PolarHBondContact OD1-N 2.99Å; N372-L374 VanDerWaalsContact OD1-N 3.13Å; L374-D376 PolarHBondContact O-N 3.29Å
375L95.5Very high83.3Confident62 Ų6287.7 Ų87.733%0.32545%0.448SS..SBendtrans-73.6115.7175.4179.665.9000109.3R337 E369 N372 L377R337-L375 PolarHBondContact NH1-O 3Å; E369-L375 HydrophobicContact CB-CD2 4.07Å; E369-L375 HydrophobicContact CG-CD2 4.25Å; N372-L375 HydrophobicContact CB-CB 4.35Å; N372-L375 WeakPolarHBondContact O-CB 3.43Å; N372-L375 PolarHBondContact O-N 3.34Å; L375-L377 HydrophobicContact CD2-CD2 3.73Å; L375-L377 HydrophobicContact CG-CD2 3.9Å; L375-L377 HydrophobicContact CG-CG 4.47Å; L375-L377 PolarHBondContact O-N 3.05Å
376D94.4Very high80.6Confident80 Ų8084.7 Ų84.743%0.42844%0.443SS..  trans-73.1125171.3-159.9-7.7000109.8R283 L374 L378R283-D376 IonicContact CZ-OD1 3.34Å; R283-D376 IonicContact CZ-OD2 2.81Å; R283-D376 IonicContact NH1-OD1 2.79Å; R283-D376 PolarHBondContact NH1-OD1 2.86Å; R283-D376 IonicContact NH1-OD2 2.94Å; R283-D376 PolarHBondContact NH1-OD2 3.42Å; R283-D376 IonicContact NH2-OD1 3.11Å; R283-D376 PolarHBondContact NH2-OD1 3.43Å; R283-D376 IonicContact NH2-OD2 3.24Å; L374-D376 PolarHBondContact O-N 3.29Å; D376-L378 PolarHBondContact OD1-N 3.03Å
377L96.1Very high77.3Confident12 Ų1289 Ų896%0.06346%0.463CS..  trans-107.412.9-179.1-63.9177.2000112.1W336 H362 V364 L375W336-L377 HydrophobicContact CH2-CD1 3.6Å; W336-L377 HydrophobicContact CZ2-CD1 3.66Å; H362-L377 HydrophobicContact CB-CD2 4.27Å; H362-L377 PolarHBondContact N-O 2.03Å; V364-L377 HydrophobicContact CG1-CD1 3.55Å; V364-L377 HydrophobicContact CG1-CD2 3.71Å; V364-L377 HydrophobicContact CG1-CG 4.3Å; L375-L377 HydrophobicContact CD2-CD2 3.73Å; L375-L377 HydrophobicContact CG-CD2 3.9Å; L375-L377 HydrophobicContact CG-CG 4.47Å; L375-L377 PolarHBondContact O-N 3.05Å
378L95.1Very high74.3Confident17 Ų1797.2 Ų97.29%0.08950%0.5CS..BIsolated β-bridgetrans-108.5132.8176-58-174.3000110E279 G360 Y361 D376E279-L378 HydrophobicContact CB-CD1 3.49Å; E279-L378 VanDerWaalsContact CB-CD1 3.49Å; E279-L378 HydrophobicContact CB-CD2 4.11Å; E279-L378 HydrophobicContact CB-CG 4.41Å; E279-L378 HydrophobicContact CG-CD1 4.36Å; E279-L378 HydrophobicContact CG-CD2 4.2Å; G360-L378 WeakPolarHBondContact O-CA 3.43Å; Y361-L378 HydrophobicContact CD1-CD2 3.65Å; Y361-L378 HydrophobicContact CE1-CD2 3.77Å; D376-L378 PolarHBondContact OD1-N 3.03Å
379S90.4Very high73.1Confident33 Ų3393.8 Ų93.823%0.23149%0.487CS..  trans-72.5152.7165.474.90000110.1R277 G360 W381R277-S379 PolarHBondContact NH1-O 3.03Å; R277-S379 VanDerWaalsContact NH1-O 3.1Å; R277-S379 PolarHBondContact NH2-O 3.48Å; G360-S379 WeakPolarHBondContact CA-OG 3.48Å; G360-S379 PolarHBondContact O-N 3.33Å; S379-W381 PolarHBondContact O-N 2.82Å
380T79.6Confident71.8Confident135 Ų13595.4 Ų95.483%0.82850%0.497SS*.  trans-64.8121.8165.846.70000108.6T382T380-T382 PolarHBondContact O-N 3.04Å
381W65.1Low70.3Confident60 Ų60100.7 Ų100.723%0.22752%0.524CS..  trans-80105.9167.5-7921.8000107.3V206 L275 R277 L359 S379 V383V206-W381 HydrophobicContact CG2-CH2 4.3Å; V206-W381 HydrophobicContact CG2-CZ2 4.38Å; L275-W381 HydrophobicContact CB-CH2 4.3Å; L275-W381 HydrophobicContact CB-CZ3 4.2Å; L275-W381 HydrophobicContact CD2-CH2 3.27Å; L275-W381 HydrophobicContact CD2-CZ2 3.82Å; L275-W381 HydrophobicContact CD2-CZ3 3.78Å; L275-W381 HydrophobicContact CG-CH2 3.49Å; L275-W381 VanDerWaalsContact CG-CH2 3.49Å; L275-W381 HydrophobicContact CG-CZ2 4.43Å; L275-W381 HydrophobicContact CG-CZ3 3.9Å; R277-W381 HydrophobicContact CB-CH2 3.63Å; R277-W381 HydrophobicContact CB-CZ2 3.63Å; R277-W381 HydrophobicContact CB-CZ3 4.3Å; R277-W381 HydrophobicContact CG-CZ2 4.16Å; R277-W381 VanDerWaalsContact NH1-NE1 3.19Å; L359-W381 PolarHBondContact O-NE1 3.48Å; L359-W381 VanDerWaalsContact O-NE1 3.1Å; S379-W381 PolarHBondContact O-N 2.82Å; W381-V383 PolarHBondContact O-N 3.12Å
382T45.6Very low68.7Low129 Ų129100.9 Ų100.979%0.79153%0.534SS*.  trans-73.191.2150.549.20000105.6T380 P384T380-T382 PolarHBondContact O-N 3.04Å; T382-P384 VanDerWaalsContact O-CD 3.31Å; T382-P384 WeakPolarHBondContact O-CD 3.48Å; T382-P384 VanDerWaalsContact O-N 3.16Å
383V45.8Very low66.9Low63 Ų63102.8 Ų102.838%0.38254%0.543SS..  trans-54.8118.2155.6-179.30000103.5W381 E385W381-V383 PolarHBondContact O-N 3.12Å; V383-E385 PolarHBondContact O-N 3.41Å
384P37.9Very low65.1Low104 Ų104104 Ų10468%0.67555%0.55SS**  trans-53.3117.1172.2-18.129.3000105.2T382 Q386T382-P384 VanDerWaalsContact O-CD 3.31Å; T382-P384 WeakPolarHBondContact O-CD 3.48Å; T382-P384 VanDerWaalsContact O-N 3.16Å; P384-Q386 PolarHBondContact O-N 3.23Å
385E32.9Very low63Low164 Ų16499.6 Ų99.677%0.76653%0.528SS*.  trans-49.3111.8173.4-75.1175.9159.900105.7V383 N387V383-E385 PolarHBondContact O-N 3.41Å; E385-N387 PolarHBondContact O-N 3.35Å
386Q40.9Very low60.5Low140 Ų140102.5 Ų102.565%0.65454%0.543SS*.  trans-70.683.9168.4-73.1-174-16.600104.2P384 H388P384-Q386 PolarHBondContact O-N 3.23Å; Q386-H388 PolarHBondContact O-N 3.45Å
387N28.7Very low57.7Low131 Ų131104.4 Ų104.470%0.70155%0.553SS**  trans-55.4124.9176.6-80.3-26.5000108.2E385E385-N387 PolarHBondContact O-N 3.35Å
388H34Very low54.2Low265 Ų265112.8 Ų112.8100%1.22760%0.597SS**  trans-46.60-177.6-70.1-68.9000114.6Q386Q386-H388 PolarHBondContact O-N 3.45Å

Retrieved 388 of 388 residues in 269.2 ms (Link to these results)

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