A0A077ZGU2_TRITR Loading...

serine-type D-Ala-D-Ala carboxypeptidase

Removes C-terminal D-alanyl residues from sugar-peptide cell wall precursors.

AlphaFold DB , UniProt , Accession A0A077ZGU2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 430 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
1M42.2Very low58.7Low241 Ų241162.4 Ų162.4100%1.18778%0.782SS**  094.30-67.7160.774.600109.6
2K47.1Very low60Low215 Ų215156.3 Ų156.394%0.93576%0.762SS**  trans-87.1109.8178.1-78.1-175.3176.8179.30109.2K4K2-K4 PolarHBondContact O-N 3.15Å
3K52.1Low60.7Low206 Ų206148.8 Ų148.890%0.89674%0.741SS**  trans-59.3113.2173.4-75.2-178.6174.7-179.20108.9R5K3-R5 PolarHBondContact O-N 3.06Å
4K53.1Low61.3Low206 Ų206144.6 Ų144.690%0.89672%0.722SS**  trans-63.5114.4172.6-75.4-178.3175.8-179.30108.1K2 S6K2-K4 PolarHBondContact O-N 3.15Å; K4-S6 PolarHBondContact O-N 3.48Å
5R55.9Low61.8Low229 Ų229140.5 Ų140.586%0.86471%0.707SS**  trans-70.7109176.2-68.4177.6170177.9-4.7108K3 F7K3-R5 PolarHBondContact O-N 3.06Å; R5-F7 PolarHBondContact O-N 2.95Å; R5-F7 VanDerWaalsContact O-N 3.13Å
6S58.7Low61.9Low94 Ų94138.5 Ų138.566%0.65770%0.698SS**  trans-74.815.3175.651.60000114K4 P8 L9K4-S6 PolarHBondContact O-N 3.48Å; S6-P8 VanDerWaalsContact C-CD 3.41Å; S6-L9 PolarHBondContact O-N 3.48Å
7F60.4Low62.1Low164 Ų164138.8 Ų138.872%0.71969%0.694SS**Hα-helixtrans-59.1-36.1-176.2-143.7-97.9000115.5R5 L9R5-F7 PolarHBondContact O-N 2.95Å; R5-F7 VanDerWaalsContact O-N 3.13Å; F7-L9 VanDerWaalsContact C-N 3.32Å; F7-L9 PolarHBondContact O-N 3.34Å
8P66.5Low61.9Low90 Ų90138.9 Ų138.958%0.58469%0.69SS**Hα-helixtrans-72-24.2-177.625.6-31.3000113.3S6 V12S6-P8 VanDerWaalsContact C-CD 3.41Å; P8-V12 WeakPolarHBondContact O-CG2 3.29Å; P8-V12 PolarHBondContact O-N 2.98Å
9L66.5Low61.7Low140 Ų140138.5 Ų138.573%0.73369%0.686SS**Hα-helixtrans-75.3-36-177.5-125.890.1000112.6S6 F7 A13S6-L9 PolarHBondContact O-N 3.48Å; F7-L9 VanDerWaalsContact C-N 3.32Å; F7-L9 PolarHBondContact O-N 3.34Å; L9-A13 WeakPolarHBondContact O-CB 3.45Å; L9-A13 PolarHBondContact O-N 3.43Å; L9-A13 VanDerWaalsContact O-N 3.12Å
10V71.7Confident61.3Low91 Ų91136.1 Ų136.155%0.55268%0.683SS**Hα-helixtrans-69.9-37.1-179.8179.40000111A13 L14V10-A13 PolarHBondContact O-N 2.71Å; V10-L14 HydrophobicContact CG1-CD1 4.13Å; V10-L14 PolarHBondContact O-N 2.94Å
11L71.5Confident61.2Low110 Ų110135.2 Ų135.258%0.57668%0.68SS**Hα-helixtrans-68.3-40.8178.6-158.281.2000111.8L14 V15L11-L14 PolarHBondContact O-N 3.34Å; L11-V15 WeakPolarHBondContact O-CG2 3.36Å; L11-V15 PolarHBondContact O-N 3.26Å
12V74.4Confident62Low89 Ų89129.9 Ų129.954%0.53966%0.655SS.*Hα-helixtrans-66.1-40.4176.6174.90000111.2P8 L14 V15 L16P8-V12 WeakPolarHBondContact O-CG2 3.29Å; P8-V12 PolarHBondContact O-N 2.98Å; V12-L14 PolarHBondContact O-N 3.03Å; V12-V15 PolarHBondContact O-N 2.75Å; V12-L16 HydrophobicContact CG1-CD1 4.07Å; V12-L16 WeakPolarHBondContact O-CG 3.43Å; V12-L16 PolarHBondContact O-N 2.99Å
13A69.5Low62.5Low60 Ų60122.6 Ų122.650%0.49664%0.641SS.*Hα-helixtrans-63.7-39.1175.200000112.4L9 V10 L16 F17L9-A13 WeakPolarHBondContact O-CB 3.45Å; L9-A13 PolarHBondContact O-N 3.43Å; L9-A13 VanDerWaalsContact O-N 3.12Å; V10-A13 PolarHBondContact O-N 2.71Å; A13-L16 PolarHBondContact O-N 3.41Å; A13-F17 WeakPolarHBondContact O-CB 3.16Å; A13-F17 PolarHBondContact O-N 2.81Å
14L68.2Low62.9Low90 Ų90119.2 Ų119.247%0.47163%0.632SS.*Hα-helixtrans-66.5-40.8175.6-94.2156.1000112.7V10 L11 V12 F17 F18V10-L14 HydrophobicContact CG1-CD1 4.13Å; V10-L14 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 3.34Å; V12-L14 PolarHBondContact O-N 3.03Å; L14-F17 PolarHBondContact O-N 3.47Å; L14-F18 HydrophobicContact CD2-CD2 4.45Å; L14-F18 HydrophobicContact CD2-CE2 4.32Å; L14-F18 WeakPolarHBondContact O-CD2 3.35Å; L14-F18 PolarHBondContact O-N 3.33Å
15V68.6Low62.8Low83 Ų83114.3 Ų114.350%0.50362%0.621SS.*Hα-helixtrans-65.8-40.4177.1173.20000111.1L11 V12 F18 Q19L11-V15 WeakPolarHBondContact O-CG2 3.36Å; L11-V15 PolarHBondContact O-N 3.26Å; V12-V15 PolarHBondContact O-N 2.75Å; V15-F18 PolarHBondContact O-N 2.9Å; V15-Q19 PolarHBondContact O-N 3.42Å; V15-Q19 VanDerWaalsContact O-N 3.1Å
16L64.7Low62.5Low108 Ų108109.4 Ų109.457%0.56562%0.616SS**Hα-helixtrans-68.4-35.7175.7-71.7169.4000112.4V12 A13 Q19 S20V12-L16 HydrophobicContact CG1-CD1 4.07Å; V12-L16 WeakPolarHBondContact O-CG 3.43Å; V12-L16 PolarHBondContact O-N 2.99Å; A13-L16 PolarHBondContact O-N 3.41Å; L16-Q19 PolarHBondContact O-N 3.22Å; L16-S20 PolarHBondContact O-N 3.23Å
17F64.6Low62.2Low143 Ų143110.8 Ų110.863%0.62761%0.612SS**Hα-helixtrans-70.7-30.7175.8-153.5-92.6000112.7A13 L14 S20 L21A13-F17 WeakPolarHBondContact O-CB 3.16Å; A13-F17 PolarHBondContact O-N 2.81Å; L14-F17 PolarHBondContact O-N 3.47Å; F17-S20 PolarHBondContact O-OG 2.97Å; F17-L21 HydrophobicContact CD1-CD1 4.34Å; F17-L21 HydrophobicContact CE1-CD1 4.43Å
18F58.2Low61.7Low141 Ų141106.6 Ų106.662%0.61861%0.608SS**Hα-helixtrans-76.1-27.2173.6-97-84.3000113.2L14 V15 S20 L21L14-F18 HydrophobicContact CD2-CD2 4.45Å; L14-F18 HydrophobicContact CD2-CE2 4.32Å; L14-F18 WeakPolarHBondContact O-CD2 3.35Å; L14-F18 PolarHBondContact O-N 3.33Å; V15-F18 PolarHBondContact O-N 2.9Å; F18-S20 VanDerWaalsContact C-N 3.32Å; F18-L21 PolarHBondContact O-N 2.9Å
19Q57.9Low61.4Low132 Ų132106.2 Ų106.262%0.61761%0.612SS**Hα-helixtrans-71.4-25.6173.6-76.8-170.7-16.400113.1V15 L16 L21V15-Q19 PolarHBondContact O-N 3.42Å; V15-Q19 VanDerWaalsContact O-N 3.1Å; L16-Q19 PolarHBondContact O-N 3.22Å; Q19-L21 VanDerWaalsContact C-N 3.27Å; Q19-L21 PolarHBondContact O-N 3.38Å
20S54.3Low61.6Low89 Ų89102.4 Ų102.462%0.62259%0.592SS**THydrogen-bonded Turntrans-78.5-5.617559.90000114.6L16 F17 F18L16-S20 PolarHBondContact O-N 3.23Å; F17-S20 PolarHBondContact O-OG 2.97Å; F18-S20 VanDerWaalsContact C-N 3.32Å
21L58.4Low62.3Low118 Ų118106.7 Ų106.762%0.61861%0.606SS**THydrogen-bonded Turntrans-100.6-4.4-179.9-87.8151.6000113.8F17 F18 Q19 G23F17-L21 HydrophobicContact CD1-CD1 4.34Å; F17-L21 HydrophobicContact CE1-CD1 4.43Å; F18-L21 PolarHBondContact O-N 2.9Å; Q19-L21 VanDerWaalsContact C-N 3.27Å; Q19-L21 PolarHBondContact O-N 3.38Å; L21-G23 PolarHBondContact O-N 2.69Å
22I60Low63.5Low129 Ų129104.1 Ų104.166%0.66259%0.591SS**  trans-82.176.9168-50176.7000106.7I24I22-I24 PolarHBondContact O-N 2.77Å
23G58.3Low64.6Low63 Ų63103.6 Ų103.665%0.64959%0.591SS**  trans-58.7107.3161.800000106.9L21 P25L21-G23 PolarHBondContact O-N 2.69Å; G23-P25 VanDerWaalsContact O-CD 3.31Å; G23-P25 WeakPolarHBondContact O-CD 3.31Å
24I59.4Low66Low135 Ų135101.1 Ų101.169%0.69257%0.569SS**  trans-58.4121.6160.6-59.6175.1000103.8I22 V26I22-I24 PolarHBondContact O-N 2.77Å; I24-V26 PolarHBondContact O-N 3.21Å
25P51.8Low67.4Low103 Ų103100.4 Ų100.467%0.66957%0.566SS**  trans-61.894.8169.424.8-30.1000106.5G23 H27G23-P25 VanDerWaalsContact O-CD 3.31Å; G23-P25 WeakPolarHBondContact O-CD 3.31Å; P25-H27 PolarHBondContact O-N 2.88Å
26V48Very low68.8Low126 Ų12696.7 Ų96.776%0.76454%0.544SS*.  trans-71.589.1162.4177.10000103.4I24 A28I24-V26 PolarHBondContact O-N 3.21Å; V26-A28 PolarHBondContact O-N 2.85Å; V26-A28 VanDerWaalsContact O-N 3.1Å
27H53.1Low70.4Confident122 Ų12294.9 Ų94.957%0.56554%0.535SS*.  trans-58.1114.6156.1-81-82.6000104.8P25 A29P25-H27 PolarHBondContact O-N 2.88Å; H27-A29 PolarHBondContact O-N 3.31Å
28A51Low72Confident77 Ų7788 Ų8864%0.63651%0.505SS*.  trans-53.8115.8169.900000106V26V26-A28 PolarHBondContact O-N 2.85Å; V26-A28 VanDerWaalsContact O-N 3.1Å
29A58.3Low74Confident81 Ų8181.3 Ų81.367%0.66948%0.475SS*.  trans-56.4145.4170.900000107.5H27 E31H27-A29 PolarHBondContact O-N 3.31Å; A29-E31 WeakPolarHBondContact O-CG 3.47Å; A29-E31 PolarHBondContact O-N 2.85Å
30D71Confident75.9Confident61 Ų6175.3 Ų75.333%0.32645%0.447SS..  trans-59114.7172.5-176.45.8000109.4F32 Y301 R347D30-F32 VanDerWaalsContact C-N 3.28Å; D30-F32 WeakPolarHBondContact OD1-CB 3.5Å; D30-F32 PolarHBondContact OD1-N 2.85Å; D30-Y301 WeakPolarHBondContact OD2-CE2 3.45Å; D30-Y301 PolarHBondContact OD2-OH 3.5Å; D30-R347 IonicContact OD2-CZ 3.36Å; D30-R347 IonicContact OD2-NE 2.89Å; D30-R347 IonicContact OD2-NH1 3.41Å; D30-R347 PolarHBondContact OD2-NH1 3.32Å
31E86.7Confident78Confident180 Ų18071.1 Ų71.184%0.84142%0.418SS*.  trans-85.2-1.8-175.5-62.6-171.2164.200112.4A29 S33A29-E31 WeakPolarHBondContact O-CG 3.47Å; A29-E31 PolarHBondContact O-N 2.85Å; E31-S33 PolarHBondContact O-N 3.04Å
32F96.3Very high80Confident57 Ų5765.5 Ų65.525%0.2539%0.388CS..  trans-62.3132.7179.1-175.8-98.3000110.9D30 V34 F51 N297 L298 Y301D30-F32 VanDerWaalsContact C-N 3.28Å; D30-F32 WeakPolarHBondContact OD1-CB 3.5Å; D30-F32 PolarHBondContact OD1-N 2.85Å; F32-V34 HydrophobicContact CE1-CG1 3.95Å; F32-V34 HydrophobicContact CZ-CG1 4.06Å; F32-F51 AromaticContact CD1-CD2 3.82Å; F32-F51 HydrophobicContact CD1-CD2 3.82Å; F32-F51 AromaticContact CD1-CE2 3.54Å; F32-F51 HydrophobicContact CD1-CE2 3.54Å; F32-F51 HydrophobicContact CD1-CZ 4.15Å; F32-F51 HydrophobicContact CE1-CD2 4.28Å; F32-F51 HydrophobicContact CE1-CE2 4.07Å; F32-F51 HydrophobicContact CE1-CZ 4.3Å; F32-F51 WeakPolarHBondContact O-CE2 3.45Å; F32-N297 HydrophobicContact CE2-CB 4.33Å; F32-N297 HydrophobicContact CZ-CB 4.2Å; F32-L298 HydrophobicContact CE1-CD1 3.85Å; F32-L298 HydrophobicContact CZ-CB 4.48Å; F32-Y301 HydrophobicContact CB-CD2 3.69Å; F32-Y301 HydrophobicContact CB-CE2 3.89Å; F32-Y301 HydrophobicContact CB-CG 4.44Å; F32-Y301 AromaticContact CD1-CD1 3.97Å; F32-Y301 HydrophobicContact CD1-CD1 3.97Å; F32-Y301 AromaticContact CD1-CD2 3.72Å; F32-Y301 HydrophobicContact CD1-CD2 3.72Å; F32-Y301 HydrophobicContact CD1-CE1 4.48Å; F32-Y301 HydrophobicContact CD1-CE2 4.28Å; F32-Y301 AromaticContact CD1-CG 3.58Å; F32-Y301 HydrophobicContact CD1-CG 3.58Å; F32-Y301 HydrophobicContact CD2-CD2 4.01Å; F32-Y301 HydrophobicContact CD2-CG 4.2Å; F32-Y301 HydrophobicContact CE1-CD1 4.15Å; F32-Y301 HydrophobicContact CE1-CD2 4.4Å; F32-Y301 AromaticContact CE1-CG 3.84Å; F32-Y301 HydrophobicContact CE1-CG 3.84Å; F32-Y301 HydrophobicContact CE2-CG 4.41Å; F32-Y301 AromaticContact CG-CD2 3.5Å; F32-Y301 HydrophobicContact CG-CD2 3.5Å; F32-Y301 HydrophobicContact CG-CE2 4.14Å; F32-Y301 AromaticContact CG-CG 3.79Å; F32-Y301 HydrophobicContact CG-CG 3.79Å; F32-Y301 HydrophobicContact CZ-CG 4.26Å
33S97.9Very high81.8Confident78 Ų7859.4 Ų59.455%0.54536%0.357SS..  trans-145.5160.217554.20000109.6E31E31-S33 PolarHBondContact O-N 3.04Å
34V98.4Very high83.7Confident7 Ų756.5 Ų56.54%0.04233%0.327CS..  trans-112145.3173-650000110F32 A36 F51 Q53 I278 E294 L298F32-V34 HydrophobicContact CE1-CG1 3.95Å; F32-V34 HydrophobicContact CZ-CG1 4.06Å; V34-A36 HydrophobicContact CG2-CB 4.17Å; V34-A36 PolarHBondContact O-N 2.83Å; V34-F51 HydrophobicContact CG1-CE1 4.41Å; V34-F51 HydrophobicContact CG2-CE1 4.1Å; V34-F51 HydrophobicContact CG2-CZ 4.47Å; V34-Q53 PolarHBondContact O-NE2 2.89Å; V34-Q53 PolarHBondContact O-OE1 3.28Å; V34-I278 HydrophobicContact CB-CD1 4.14Å; V34-I278 HydrophobicContact CG1-CD1 4.1Å; V34-I278 HydrophobicContact CG2-CD1 4Å; V34-E294 VanDerWaalsContact CA-OE2 3.27Å; V34-E294 WeakPolarHBondContact CA-OE2 3.34Å; V34-E294 HydrophobicContact CB-CB 4.4Å; V34-E294 WeakPolarHBondContact CB-OE2 3.3Å; V34-L298 HydrophobicContact CG1-CB 4.13Å
35N98.3Very high85.4Confident75 Ų7555 Ų5540%0.40132%0.321SS..SBendtrans-81.262.9176-169.924.7000111.6L282 E294N35-L282 PolarHBondContact O-N 2.79Å; N35-E294 HydrophobicContact CB-CG 4.39Å; N35-E294 VanDerWaalsContact N-CD 3.31Å; N35-E294 PolarHBondContact N-OE2 3.39Å
36A98.6Very high87.5Confident5 Ų551.9 Ų51.94%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-143.8159.9-179.300000111.1V34 A38 Q53 I278 N280V34-A36 HydrophobicContact CG2-CB 4.17Å; V34-A36 PolarHBondContact O-N 2.83Å; A36-A38 VanDerWaalsContact C-N 3.26Å; A36-A38 PolarHBondContact O-N 3.24Å; A36-Q53 PolarHBondContact O-NE2 2.9Å; A36-Q53 VanDerWaalsContact O-NE2 3.09Å; A36-I278 HydrophobicContact CB-CG2 3.75Å; A36-N280 CarbonylContact C-O 3.59Å; A36-N280 WeakPolarHBondContact CA-O 3.48Å; A36-N280 WeakPolarHBondContact CB-O 3.33Å
37N98.2Very high89.8Confident70 Ų7045.9 Ų45.937%0.37427%0.265SS..EExtended strand (participates in β ladder)trans-63.1-34175-81.9-18.4000112.4K59 L279 N280 L282N37-K59 HydrophobicContact CB-CD 3.74Å; N37-K59 VanDerWaalsContact O-CE 3.3Å; N37-K59 WeakPolarHBondContact O-CE 3.47Å; N37-L279 PolarHBondContact N-O 3.09Å; N37-L279 VanDerWaalsContact N-O 3.16Å; N37-N280 HydrophobicContact CB-CB 4.05Å; N37-N280 PolarHBondContact N-O 3.15Å; N37-N280 PolarHBondContact ND2-ND2 2.66Å; N37-N280 VanDerWaalsContact ND2-ND2 3.11Å; N37-L282 WeakPolarHBondContact OD1-CD2 3.38Å
38A98.8Very high91.9Very high0 Ų040.1 Ų40.10%024%0.238CC..EExtended strand (participates in β ladder)trans-146.5151.416800000111.8A36 Q53 D54 K59 A193 L279A36-A38 VanDerWaalsContact C-N 3.26Å; A36-A38 PolarHBondContact O-N 3.24Å; A38-Q53 CarbonylContact C-O 3.51Å; A38-Q53 VanDerWaalsContact CA-O 3.23Å; A38-Q53 WeakPolarHBondContact CA-O 3.43Å; A38-Q53 WeakPolarHBondContact CB-O 3.26Å; A38-D54 HydrophobicContact CB-CB 4.35Å; A38-D54 WeakPolarHBondContact CB-O 3.48Å; A38-K59 HydrophobicContact CB-CD 3.97Å; A38-A193 HydrophobicContact CB-CB 4.03Å; A38-L279 HydrophobicContact CB-CB 4.32Å; A38-L279 PolarHBondContact N-O 2.85Å; A38-L279 VanDerWaalsContact N-O 3.15Å; A38-L279 PolarHBondContact O-N 3.47Å
39G98.8Very high94.2Very high0 Ų036.5 Ų36.50%021%0.208CC..EExtended strand (participates in β ladder)trans-138135.9173.400000110.5Q53 V277G39-Q53 PolarHBondContact N-O 2.81Å; G39-Q53 PolarHBondContact O-N 2.88Å; G39-V277 CarbonylContact C-O 3.58Å; G39-V277 VanDerWaalsContact CA-O 3.28Å; G39-V277 WeakPolarHBondContact CA-O 3.29Å
40Y98.9Very high96.1Very high6 Ų632.7 Ų32.72%0.02418%0.176CC..EExtended strand (participates in β ladder)trans-144.2144.2177.8-154.2-99.7000110.1I42 V49 F51 N52 R194 A197 T276 V277 V396Y40-I42 HydrophobicContact CD1-CG2 3.89Å; Y40-I42 HydrophobicContact CE1-CG2 3.5Å; Y40-I42 VanDerWaalsContact CE1-CG2 3.5Å; Y40-V49 HydrophobicContact CE1-CG1 4.22Å; Y40-V49 HydrophobicContact CE1-CG2 4.13Å; Y40-V49 HydrophobicContact CE2-CG1 4.14Å; Y40-V49 WeakPolarHBondContact OH-CG2 3.46Å; Y40-F51 WeakPolarHBondContact CA-O 3.23Å; Y40-N52 HydrophobicContact CD2-CB 3.82Å; Y40-N52 HydrophobicContact CE2-CB 3.66Å; Y40-N52 VanDerWaalsContact CE2-CG 3.44Å; Y40-R194 HydrophobicContact CD2-CB 4.36Å; Y40-R194 HydrophobicContact CE1-CB 4.2Å; Y40-R194 HydrophobicContact CE1-CG 4.2Å; Y40-R194 HydrophobicContact CE2-CB 3.94Å; Y40-R194 HydrophobicContact CE2-CG 4.35Å; Y40-A197 HydrophobicContact CD1-CB 3.78Å; Y40-A197 HydrophobicContact CE1-CB 4.22Å; Y40-T276 CarbonylContact O-C 3.6Å; Y40-T276 WeakPolarHBondContact O-CA 3.43Å; Y40-V277 PolarHBondContact N-O 3.15Å; Y40-V277 PolarHBondContact O-N 2.92Å; Y40-V396 HydrophobicContact CE1-CG2 3.97Å
41A98.9Very high97.4Very high0 Ų030.4 Ų30.40%016%0.163CC..EExtended strand (participates in β ladder)trans-146140.6174.700000112.3F50 F51 I275 T276 L298 C302A41-F50 HydrophobicContact CB-CB 4.38Å; A41-F50 PolarHBondContact O-N 3.34Å; A41-F51 HydrophobicContact CB-CB 4.05Å; A41-F51 PolarHBondContact N-O 2.87Å; A41-F51 PolarHBondContact O-N 2.75Å; A41-I275 CarbonylContact C-O 3.54Å; A41-I275 VanDerWaalsContact CA-O 3.23Å; A41-I275 WeakPolarHBondContact CA-O 3.37Å; A41-T276 HydrophobicContact CB-CG2 4.11Å; A41-L298 HydrophobicContact CB-CD1 3.99Å; A41-L298 HydrophobicContact CB-CD2 4.21Å; A41-L298 HydrophobicContact CB-CG 4.1Å; A41-C302 WeakPolarHBondContact CB-SG 3.24Å
42I98.8Very high97.9Very high0 Ų024.6 Ų24.60%014%0.138CC..EExtended strand (participates in β ladder)trans-134.2154.4179.765.3169.8000111.9Y40 K48 V49 A197 Q201 V274 I275 V396Y40-I42 HydrophobicContact CD1-CG2 3.89Å; Y40-I42 HydrophobicContact CE1-CG2 3.5Å; Y40-I42 VanDerWaalsContact CE1-CG2 3.5Å; I42-K48 CarbonylContact C-O 3.56Å; I42-K48 WeakPolarHBondContact CA-O 3.49Å; I42-V49 HydrophobicContact CG2-CG2 4.2Å; I42-A197 HydrophobicContact CD1-CB 4.07Å; I42-A197 HydrophobicContact CG1-CB 4.34Å; I42-A197 HydrophobicContact CG2-CB 4.43Å; I42-Q201 HydrophobicContact CD1-CB 4Å; I42-Q201 HydrophobicContact CD1-CG 4.13Å; I42-V274 WeakPolarHBondContact O-CA 3.43Å; I42-I275 HydrophobicContact CD1-CB 4.49Å; I42-I275 HydrophobicContact CD1-CD1 4.23Å; I42-I275 HydrophobicContact CG1-CB 3.88Å; I42-I275 HydrophobicContact CG1-CD1 4.41Å; I42-I275 PolarHBondContact N-O 3.15Å; I42-I275 PolarHBondContact O-N 3.32Å; I42-V396 HydrophobicContact CD1-CG1 4.04Å; I42-V396 HydrophobicContact CG2-CB 3.96Å; I42-V396 HydrophobicContact CG2-CG1 4.47Å; I42-V396 HydrophobicContact CG2-CG2 4.25Å
43D98.1Very high98Very high2 Ų224.1 Ų24.11%0.01114%0.137CC..EExtended strand (participates in β ladder)trans-69.1123.3154.9-175.254.7000109D45 S46 G47 K48 F50 W345D43-D45 VanDerWaalsContact C-N 3.31Å; D43-D45 PolarHBondContact O-N 3.23Å; D43-S46 VanDerWaalsContact OD2-CB 3.31Å; D43-S46 WeakPolarHBondContact OD2-CB 3.38Å; D43-S46 PolarHBondContact OD2-N 2.91Å; D43-S46 PolarHBondContact OD2-OG 3.33Å; D43-G47 WeakPolarHBondContact O-CA 3.37Å; D43-G47 PolarHBondContact O-N 2.99Å; D43-K48 HydrophobicContact CB-CB 4.16Å; D43-K48 PolarHBondContact N-O 2.83Å; D43-F50 HydrophobicContact CB-CE1 4.3Å; D43-F50 HydrophobicContact CB-CE2 3.92Å; D43-F50 HydrophobicContact CB-CZ 3.61Å; D43-W345 WeakPolarHBondContact OD1-CZ2 3.47Å; D43-W345 PolarHBondContact OD2-NE1 3.22Å
44A97.9Very high98.1Very high2 Ų224 Ų242%0.01713%0.13CC..THydrogen-bonded Turntrans-62.2-42.7-17800000110.8Q201 K205 R273 I275A44-Q201 WeakPolarHBondContact O-CG 3.24Å; A44-Q201 PolarHBondContact O-NE2 3.06Å; A44-K205 WeakPolarHBondContact O-CE 3.22Å; A44-K205 PolarHBondContact O-NZ 3.18Å; A44-R273 HydrophobicContact CB-CB 3.86Å; A44-R273 HydrophobicContact CB-CG 3.73Å; A44-R273 WeakPolarHBondContact CB-O 3.45Å; A44-R273 PolarHBondContact N-O 2.92Å; A44-I275 HydrophobicContact CB-CD1 3.72Å; A44-I275 HydrophobicContact CB-CG1 4.03Å
45D95.5Very high98.1Very high104 Ų10423.7 Ų23.756%0.55613%0.128SC*.THydrogen-bonded Turntrans-70.9-51.2-172.9-68.5-25.2000112.5D43 K205D43-D45 VanDerWaalsContact C-N 3.31Å; D43-D45 PolarHBondContact O-N 3.23Å; D45-K205 VanDerWaalsContact O-CE 3.32Å; D45-K205 WeakPolarHBondContact O-CE 3.37Å; D45-K205 PolarHBondContact O-NZ 2.83Å
46S95.3Very high98Very high37 Ų3724.4 Ų24.426%0.25913%0.132SC..THydrogen-bonded Turntrans-92.4-15.2-17690.70000114.3D43 K48 Y395D43-S46 VanDerWaalsContact OD2-CB 3.31Å; D43-S46 WeakPolarHBondContact OD2-CB 3.38Å; D43-S46 PolarHBondContact OD2-N 2.91Å; D43-S46 PolarHBondContact OD2-OG 3.33Å; S46-K48 PolarHBondContact O-N 3.21Å; S46-K48 VanDerWaalsContact OG-CB 3.27Å; S46-K48 WeakPolarHBondContact OG-CB 3.43Å; S46-K48 PolarHBondContact OG-N 3.39Å; S46-K48 VanDerWaalsContact OG-N 3.11Å; S46-Y395 WeakPolarHBondContact O-CD1 3.46Å
47G97.3Very high98Very high0 Ų026.5 Ų26.50%015%0.146CC..  trans69.415.2-170.400000114.3D43 V49 Q201 Y395 V396 E400D43-G47 WeakPolarHBondContact O-CA 3.37Å; D43-G47 PolarHBondContact O-N 2.99Å; G47-V49 PolarHBondContact O-N 2.59Å; G47-Q201 VanDerWaalsContact CA-NE2 3.29Å; G47-Y395 CarbonylContact O-C 3.57Å; G47-Y395 VanDerWaalsContact O-CA 3.32Å; G47-Y395 WeakPolarHBondContact O-CA 3.4Å; G47-V396 PolarHBondContact O-N 2.98Å; G47-E400 WeakPolarHBondContact CA-OE1 3.48Å; G47-E400 WeakPolarHBondContact CA-OE2 3.42Å
48K97.7Very high98.1Very high1 Ų125.9 Ų25.90%0.00415%0.146CC..BIsolated β-bridgetrans-62.9128.8177.7175.176.7-173.186.70108.8I42 D43 S46 F50 W345 D391 G394 Y395I42-K48 CarbonylContact C-O 3.56Å; I42-K48 WeakPolarHBondContact CA-O 3.49Å; D43-K48 HydrophobicContact CB-CB 4.16Å; D43-K48 PolarHBondContact N-O 2.83Å; S46-K48 PolarHBondContact O-N 3.21Å; S46-K48 VanDerWaalsContact OG-CB 3.27Å; S46-K48 WeakPolarHBondContact OG-CB 3.43Å; S46-K48 PolarHBondContact OG-N 3.39Å; S46-K48 VanDerWaalsContact OG-N 3.11Å; K48-F50 HydrophobicContact CB-CE1 4.19Å; K48-F50 HydrophobicContact CG-CD1 3.97Å; K48-F50 HydrophobicContact CG-CE1 3.78Å; K48-F50 PolarHBondContact O-N 3.48Å; K48-W345 HydrophobicContact CB-CB 4.38Å; K48-W345 HydrophobicContact CB-CG 4.3Å; K48-W345 HydrophobicContact CD-CB 4.34Å; K48-W345 HydrophobicContact CG-CB 3.8Å; K48-W345 HydrophobicContact CG-CG 4.21Å; K48-D391 WeakPolarHBondContact CE-OD2 3.39Å; K48-D391 IonicContact NZ-OD1 2.79Å; K48-D391 PolarHBondContact NZ-OD1 3.1Å; K48-D391 IonicContact NZ-OD2 2.66Å; K48-D391 PolarHBondContact NZ-OD2 3.32Å; K48-G394 WeakPolarHBondContact CD-O 3.37Å; K48-G394 PolarHBondContact NZ-O 3.39Å; K48-Y395 HydrophobicContact CB-CD1 4.21Å; K48-Y395 HydrophobicContact CB-CE1 3.98Å; K48-Y395 HydrophobicContact CD-CD1 4.5Å; K48-Y395 HydrophobicContact CD-CE1 4.07Å; K48-Y395 HydrophobicContact CD-CE2 4.33Å
49V98.4Very high98Very high1 Ų127.7 Ų27.71%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-78.2122173.6-176.90000109.6Y40 I42 G47 N52 L393 G394 V396Y40-V49 HydrophobicContact CE1-CG1 4.22Å; Y40-V49 HydrophobicContact CE1-CG2 4.13Å; Y40-V49 HydrophobicContact CE2-CG1 4.14Å; Y40-V49 WeakPolarHBondContact OH-CG2 3.46Å; I42-V49 HydrophobicContact CG2-CG2 4.2Å; G47-V49 PolarHBondContact O-N 2.59Å; V49-N52 HydrophobicContact CG1-CB 4.3Å; V49-L393 HydrophobicContact CB-CB 3.99Å; V49-L393 HydrophobicContact CG1-CB 4.02Å; V49-L393 HydrophobicContact CG1-CD2 4.31Å; V49-G394 PolarHBondContact N-O 3.13Å; V49-V396 HydrophobicContact CG2-CB 4.28Å
50F98.1Very high98Very high0 Ų028 Ų280%016%0.157CC..EExtended strand (participates in β ladder)trans-94.7-29.3175.5-65.6-28.5000112.7A41 D43 K48 V274 Y301 C302 W306 W345 L393A41-F50 HydrophobicContact CB-CB 4.38Å; A41-F50 PolarHBondContact O-N 3.34Å; D43-F50 HydrophobicContact CB-CE1 4.3Å; D43-F50 HydrophobicContact CB-CE2 3.92Å; D43-F50 HydrophobicContact CB-CZ 3.61Å; K48-F50 HydrophobicContact CB-CE1 4.19Å; K48-F50 HydrophobicContact CG-CD1 3.97Å; K48-F50 HydrophobicContact CG-CE1 3.78Å; K48-F50 PolarHBondContact O-N 3.48Å; F50-V274 HydrophobicContact CD2-CG1 4.36Å; F50-V274 HydrophobicContact CE2-CG2 4.13Å; F50-Y301 WeakPolarHBondContact O-CE1 3.49Å; F50-Y301 PolarHBondContact O-OH 3.3Å; F50-C302 HydrophobicContact CB-CB 4.44Å; F50-C302 HydrophobicContact CD2-CB 3.83Å; F50-C302 HydrophobicContact CG-CB 4.49Å; F50-W306 HydrophobicContact CB-CD2 4.43Å; F50-W306 HydrophobicContact CB-CG 4.46Å; F50-W306 HydrophobicContact CB-CZ2 4.46Å; F50-W306 HydrophobicContact CD1-CB 4.17Å; F50-W306 AromaticContact CD1-CD2 3.39Å; F50-W306 HydrophobicContact CD1-CD2 3.39Å; F50-W306 AromaticContact CD1-CE2 3.74Å; F50-W306 AromaticContact CD1-CE3 3.7Å; F50-W306 HydrophobicContact CD1-CE3 3.7Å; F50-W306 AromaticContact CD1-CG 3.62Å; F50-W306 HydrophobicContact CD1-CG 3.62Å; F50-W306 HydrophobicContact CD1-CZ2 4.29Å; F50-W306 HydrophobicContact CD1-CZ3 4.26Å; F50-W306 HydrophobicContact CE1-CB 4.02Å; F50-W306 AromaticContact CE1-CD2 3.89Å; F50-W306 HydrophobicContact CE1-CD2 3.89Å; F50-W306 AromaticContact CE1-CE3 3.91Å; F50-W306 HydrophobicContact CE1-CE3 3.91Å; F50-W306 AromaticContact CE1-CG 3.96Å; F50-W306 HydrophobicContact CE1-CG 3.96Å; F50-W306 HydrophobicContact CG-CD2 4.15Å; F50-W306 HydrophobicContact CG-CG 4.07Å; F50-W306 HydrophobicContact CZ-CB 4.38Å; F50-W306 WeakPolarHBondContact O-CZ2 3.4Å; F50-W306 PolarHBondContact O-NE1 3.43Å; F50-W345 HydrophobicContact CE1-CB 3.88Å; F50-W345 AromaticContact CE1-CD2 3.71Å; F50-W345 HydrophobicContact CE1-CD2 3.71Å; F50-W345 HydrophobicContact CE1-CE3 4.05Å; F50-W345 AromaticContact CE1-CG 3.64Å; F50-W345 HydrophobicContact CE1-CG 3.64Å; F50-W345 AromaticContact CZ-CD2 3.57Å; F50-W345 HydrophobicContact CZ-CD2 3.57Å; F50-W345 AromaticContact CZ-CE2 3.74Å; F50-W345 AromaticContact CZ-CE3 3.85Å; F50-W345 HydrophobicContact CZ-CE3 3.85Å; F50-W345 AromaticContact CZ-CG 3.94Å; F50-W345 HydrophobicContact CZ-CG 3.94Å; F50-W345 HydrophobicContact CZ-CZ2 4.23Å; F50-W345 HydrophobicContact CZ-CZ3 4.33Å; F50-L393 WeakPolarHBondContact O-CD1 3.41Å
51F98.6Very high98Very high14 Ų1427.7 Ų27.76%0.06116%0.156CC..EExtended strand (participates in β ladder)trans-153.1140.4-177.6-175.8-103.4000110.8F32 V34 Y40 A41 Q53 L298 Y301F32-F51 AromaticContact CD1-CD2 3.82Å; F32-F51 HydrophobicContact CD1-CD2 3.82Å; F32-F51 AromaticContact CD1-CE2 3.54Å; F32-F51 HydrophobicContact CD1-CE2 3.54Å; F32-F51 HydrophobicContact CD1-CZ 4.15Å; F32-F51 HydrophobicContact CE1-CD2 4.28Å; F32-F51 HydrophobicContact CE1-CE2 4.07Å; F32-F51 HydrophobicContact CE1-CZ 4.3Å; F32-F51 WeakPolarHBondContact O-CE2 3.45Å; V34-F51 HydrophobicContact CG1-CE1 4.41Å; V34-F51 HydrophobicContact CG2-CE1 4.1Å; V34-F51 HydrophobicContact CG2-CZ 4.47Å; Y40-F51 WeakPolarHBondContact CA-O 3.23Å; A41-F51 HydrophobicContact CB-CB 4.05Å; A41-F51 PolarHBondContact N-O 2.87Å; A41-F51 PolarHBondContact O-N 2.75Å; F51-Q53 HydrophobicContact CE1-CB 3.51Å; F51-Q53 HydrophobicContact CZ-CB 3.57Å; F51-L298 HydrophobicContact CB-CD1 3.66Å; F51-L298 HydrophobicContact CD1-CD1 3.48Å; F51-L298 VanDerWaalsContact CD1-CD1 3.48Å; F51-L298 HydrophobicContact CD1-CD2 4.32Å; F51-L298 HydrophobicContact CD2-CD1 4.35Å; F51-L298 HydrophobicContact CE1-CD1 4.19Å; F51-L298 HydrophobicContact CG-CD1 3.56Å; F51-Y301 HydrophobicContact CB-CD1 4.45Å; F51-Y301 HydrophobicContact CB-CE1 4.05Å; F51-Y301 HydrophobicContact CD2-CE1 4.15Å
52N98.3Very high98Very high57 Ų5727.7 Ų27.731%0.30516%0.156SC..EExtended strand (participates in β ladder)trans-144.3113.3173-178.30.6000109.8Y40 V49 G55 D56 L393Y40-N52 HydrophobicContact CD2-CB 3.82Å; Y40-N52 HydrophobicContact CE2-CB 3.66Å; Y40-N52 VanDerWaalsContact CE2-CG 3.44Å; V49-N52 HydrophobicContact CG1-CB 4.3Å; N52-G55 VanDerWaalsContact OD1-CA 3.25Å; N52-G55 WeakPolarHBondContact OD1-CA 3.35Å; N52-G55 PolarHBondContact OD1-N 3.21Å; N52-D56 PolarHBondContact ND2-OD2 2.99Å; N52-L393 HydrophobicContact CB-CD2 3.97Å
53Q98.3Very high98Very high47 Ų4728.3 Ų28.322%0.2216%0.16CC..EExtended strand (participates in β ladder)trans-125.1107169.6175.5-178.4-50.700108V34 A36 A38 G39 F51 G55V34-Q53 PolarHBondContact O-NE2 2.89Å; V34-Q53 PolarHBondContact O-OE1 3.28Å; A36-Q53 PolarHBondContact O-NE2 2.9Å; A36-Q53 VanDerWaalsContact O-NE2 3.09Å; A38-Q53 CarbonylContact C-O 3.51Å; A38-Q53 VanDerWaalsContact CA-O 3.23Å; A38-Q53 WeakPolarHBondContact CA-O 3.43Å; A38-Q53 WeakPolarHBondContact CB-O 3.26Å; G39-Q53 PolarHBondContact N-O 2.81Å; G39-Q53 PolarHBondContact O-N 2.88Å; F51-Q53 HydrophobicContact CE1-CB 3.51Å; F51-Q53 HydrophobicContact CZ-CB 3.57Å; Q53-G55 PolarHBondContact O-N 2.61Å; Q53-G55 VanDerWaalsContact O-N 3.16Å
54D98.2Very high98.1Very high76 Ų7628.3 Ų28.341%0.40616%0.16SC..SBendtrans5036.6-177.3-165.531.9000113.3A38 D56 S57 K59A38-D54 HydrophobicContact CB-CB 4.35Å; A38-D54 WeakPolarHBondContact CB-O 3.48Å; D54-D56 VanDerWaalsContact C-N 3.26Å; D54-D56 PolarHBondContact O-N 3.42Å; D54-S57 VanDerWaalsContact OD1-CB 3.25Å; D54-S57 WeakPolarHBondContact OD1-CB 3.5Å; D54-S57 PolarHBondContact OD1-OG 3.23Å; D54-K59 WeakPolarHBondContact OD2-CE 3.34Å; D54-K59 IonicContact OD2-NZ 3.57Å; D54-K59 PolarHBondContact OD2-NZ 3.38Å
55G98.2Very high98.1Very high0 Ų028.2 Ų28.20%016%0.159CC..THydrogen-bonded Turntrans-74.1-13.3-17200000114.9N52 Q53 S192 A193 R194N52-G55 VanDerWaalsContact OD1-CA 3.25Å; N52-G55 WeakPolarHBondContact OD1-CA 3.35Å; N52-G55 PolarHBondContact OD1-N 3.21Å; Q53-G55 PolarHBondContact O-N 2.61Å; Q53-G55 VanDerWaalsContact O-N 3.16Å; G55-S192 WeakPolarHBondContact O-CB 3.42Å; G55-S192 PolarHBondContact O-OG 3.41Å; G55-A193 PolarHBondContact O-N 2.99Å; G55-R194 VanDerWaalsContact O-CB 3.25Å; G55-R194 WeakPolarHBondContact O-CB 3.38Å; G55-R194 PolarHBondContact O-N 3.48Å
56D98.3Very high98.3Very high90 Ų9023.2 Ų23.248%0.48113%0.133SC..THydrogen-bonded Turntrans-102.1-4.2-174.9-55.2-65.2000113N52 D54 R194N52-D56 PolarHBondContact ND2-OD2 2.99Å; D54-D56 VanDerWaalsContact C-N 3.26Å; D54-D56 PolarHBondContact O-N 3.42Å; D56-R194 WeakPolarHBondContact OD1-CD 3.45Å
57S98.4Very high98.4Very high49 Ų4921.7 Ų21.734%0.34312%0.122SC..SBendtrans-92.9122.7177.5-620000110.6D54D54-S57 VanDerWaalsContact OD1-CB 3.25Å; D54-S57 WeakPolarHBondContact OD1-CB 3.5Å; D54-S57 PolarHBondContact OD1-OG 3.23Å
58P98.6Very high98.5Very high58 Ų5821.7 Ų21.738%0.37712%0.122SC..  trans-60138176.3-2735.8000113.8D161 L190P58-D161 HydrophobicContact CG-CB 4.31Å; P58-L190 HydrophobicContact CB-CB 4.31Å
59K98.6Very high98.6Very high37 Ų3721.7 Ų21.716%0.16112%0.122CC..EExtended strand (participates in β ladder)trans-138.8162.9177-52.8-175.5-168.5-63.30110.5N37 A38 D54 I61 L190 M191 L279N37-K59 HydrophobicContact CB-CD 3.74Å; N37-K59 VanDerWaalsContact O-CE 3.3Å; N37-K59 WeakPolarHBondContact O-CE 3.47Å; A38-K59 HydrophobicContact CB-CD 3.97Å; D54-K59 WeakPolarHBondContact OD2-CE 3.34Å; D54-K59 IonicContact OD2-NZ 3.57Å; D54-K59 PolarHBondContact OD2-NZ 3.38Å; K59-I61 PolarHBondContact O-N 3.27Å; K59-L190 CarbonylContact O-C 3.6Å; K59-L190 VanDerWaalsContact O-CA 3.22Å; K59-L190 WeakPolarHBondContact O-CA 3.27Å; K59-M191 PolarHBondContact N-O 3.31Å; K59-M191 PolarHBondContact O-N 3.45Å; K59-L279 HydrophobicContact CB-CB 4.48Å; K59-L279 HydrophobicContact CB-CD1 4.06Å; K59-L279 HydrophobicContact CD-CB 3.99Å; K59-L279 HydrophobicContact CD-CD1 4.33Å; K59-L279 HydrophobicContact CG-CD1 4.42Å
60G98.7Very high98.6Very high6 Ų621.6 Ų21.66%0.06212%0.121CC..EExtended strand (participates in β ladder)trans-55.7128171.200000111A259G60-A259 VanDerWaalsContact C-CB 3.48Å; G60-A259 WeakPolarHBondContact O-CB 3.15Å
61I98.8Very high98.7Very high1 Ų122.4 Ų22.41%0.00512%0.124CC..  trans-108-12.3-18061.2164.9000113.4K59 S63 I64 T65 N189 M191 V196 L279K59-I61 PolarHBondContact O-N 3.27Å; I61-S63 PolarHBondContact O-N 2.88Å; I61-I64 HydrophobicContact CB-CB 4.15Å; I61-I64 HydrophobicContact CB-CG2 4.5Å; I61-I64 VanDerWaalsContact O-CB 3.27Å; I61-I64 WeakPolarHBondContact O-CB 3.46Å; I61-I64 PolarHBondContact O-N 3.02Å; I61-T65 WeakPolarHBondContact CD1-OG1 3.28Å; I61-N189 HydrophobicContact CD1-CB 4.28Å; I61-N189 HydrophobicContact CG1-CB 3.97Å; I61-N189 PolarHBondContact N-O 3.4Å; I61-N189 VanDerWaalsContact N-O 3.15Å; I61-M191 HydrophobicContact CD1-CB 4.29Å; I61-M191 HydrophobicContact CD1-CG 3.95Å; I61-M191 HydrophobicContact CD1-SD 3.68Å; I61-M191 HydrophobicContact CG2-CB 3.85Å; I61-V196 HydrophobicContact CG2-CG2 3.83Å; I61-L279 HydrophobicContact CG2-CD2 4.33Å
62A98.6Very high98.7Very high0 Ų022.1 Ų22.10%012%0.124CC..G310 helixtrans45.9-135.7-178.400000111.4I64 T65 G169 T255 T256 A259A62-I64 PolarHBondContact O-N 2.93Å; A62-T65 VanDerWaalsContact O-CB 3.26Å; A62-T65 WeakPolarHBondContact O-CB 3.31Å; A62-T65 PolarHBondContact O-N 2.88Å; A62-T65 PolarHBondContact O-OG1 2.86Å; A62-G169 CarbonylContact C-O 3.47Å; A62-G169 VanDerWaalsContact CA-O 3.29Å; A62-G169 WeakPolarHBondContact CA-O 3.37Å; A62-G169 WeakPolarHBondContact O-CA 3.44Å; A62-T255 VanDerWaalsContact CB-N 3.33Å; A62-T256 HydrophobicContact CB-CG2 3.77Å; A62-A259 HydrophobicContact CB-CB 3.76Å
63S98.8Very high98.7Very high13 Ų1319.4 Ų19.49%0.09111%0.109CC..G310 helixtrans-63-6-179.3-75.20000116.4I61 T65 K66 S127 K252 T253I61-S63 PolarHBondContact O-N 2.88Å; S63-T65 PolarHBondContact O-N 2.86Å; S63-K66 WeakPolarHBondContact O-CB 3.44Å; S63-K66 PolarHBondContact O-N 3.15Å; S63-K66 VanDerWaalsContact O-N 3.1Å; S63-K66 PolarHBondContact OG-NZ 3.38Å; S63-S127 WeakPolarHBondContact CB-OG 3.5Å; S63-S127 PolarHBondContact OG-OG 3.5Å; S63-K252 WeakPolarHBondContact O-CG 3.48Å; S63-T253 CarbonylContact C-O 3.57Å; S63-T253 WeakPolarHBondContact CB-O 3.17Å
64I98.9Very high98.7Very high1 Ų117.3 Ų17.31%0.00510%0.099CC..G310 helixtrans-59.1-27.2166.2-66.3179.6000110.3I61 A62 K66 T67 V196 C262 V264 L279I61-I64 HydrophobicContact CB-CB 4.15Å; I61-I64 HydrophobicContact CB-CG2 4.5Å; I61-I64 VanDerWaalsContact O-CB 3.27Å; I61-I64 WeakPolarHBondContact O-CB 3.46Å; I61-I64 PolarHBondContact O-N 3.02Å; A62-I64 PolarHBondContact O-N 2.93Å; I64-K66 PolarHBondContact O-N 2.92Å; I64-T67 WeakPolarHBondContact O-CB 3.25Å; I64-T67 WeakPolarHBondContact O-CG2 3.2Å; I64-T67 PolarHBondContact O-N 2.92Å; I64-T67 PolarHBondContact O-OG1 3.39Å; I64-V196 HydrophobicContact CG2-CG1 3.68Å; I64-V196 HydrophobicContact CG2-CG2 4.19Å; I64-C262 HydrophobicContact CD1-CB 3.64Å; I64-C262 HydrophobicContact CG1-CB 4.48Å; I64-V264 HydrophobicContact CD1-CB 4.45Å; I64-V264 HydrophobicContact CD1-CG1 4.32Å; I64-V264 HydrophobicContact CG1-CG1 4.2Å; I64-V264 HydrophobicContact CG2-CG1 3.94Å; I64-L279 HydrophobicContact CD1-CD2 4.06Å
65T98.9Very high98.8Very high0 Ų016.1 Ų16.10%09%0.091CC..G310 helixtrans-42.6-39.3169.4-62.60000113.1I61 A62 S63 T67 I68 T69 M150 G169 N189I61-T65 WeakPolarHBondContact CD1-OG1 3.28Å; A62-T65 VanDerWaalsContact O-CB 3.26Å; A62-T65 WeakPolarHBondContact O-CB 3.31Å; A62-T65 PolarHBondContact O-N 2.88Å; A62-T65 PolarHBondContact O-OG1 2.86Å; S63-T65 PolarHBondContact O-N 2.86Å; T65-T67 PolarHBondContact O-N 2.84Å; T65-I68 WeakPolarHBondContact O-CB 3.23Å; T65-I68 PolarHBondContact O-N 3.42Å; T65-T69 PolarHBondContact O-N 3.06Å; T65-M150 HydrophobicContact CG2-CE 3.66Å; T65-G169 VanDerWaalsContact OG1-CA 3.28Å; T65-G169 WeakPolarHBondContact OG1-CA 3.36Å; T65-N189 WeakPolarHBondContact CG2-ND2 3.35Å; T65-N189 PolarHBondContact OG1-ND2 3.1Å
66K98.9Very high98.8Very high0 Ų016.3 Ų16.30%09%0.093CC..Hα-helixtrans-62.5-14-176.9-65.2177.7172.774.10113.3S63 I64 T69 A70 M123 S127 A128 N129 A132 S168S63-K66 WeakPolarHBondContact O-CB 3.44Å; S63-K66 PolarHBondContact O-N 3.15Å; S63-K66 VanDerWaalsContact O-N 3.1Å; S63-K66 PolarHBondContact OG-NZ 3.38Å; I64-K66 PolarHBondContact O-N 2.92Å; K66-T69 PolarHBondContact O-N 2.91Å; K66-A70 WeakPolarHBondContact O-CB 3.37Å; K66-A70 PolarHBondContact O-N 2.8Å; K66-M123 HydrophobicContact CB-CG 4.15Å; K66-M123 HydrophobicContact CB-SD 4.34Å; K66-M123 HydrophobicContact CD-CG 3.68Å; K66-M123 HydrophobicContact CG-CG 4.06Å; K66-M123 HydrophobicContact CG-SD 4.44Å; K66-S127 WeakPolarHBondContact CE-O 3.44Å; K66-S127 PolarHBondContact NZ-O 2.69Å; K66-A128 WeakPolarHBondContact CE-O 3.43Å; K66-N129 PolarHBondContact NZ-OD1 3.47Å; K66-A132 HydrophobicContact CG-CB 4.45Å; K66-S168 PolarHBondContact NZ-O 3.42Å
67T98.9Very high98.8Very high5 Ų513.4 Ų13.43%0.0318%0.077CC..Hα-helixtrans-66.1-36169.358.90000112.5I64 T65 Y71 V199 L203 L251 K252 V264I64-T67 WeakPolarHBondContact O-CB 3.25Å; I64-T67 WeakPolarHBondContact O-CG2 3.2Å; I64-T67 PolarHBondContact O-N 2.92Å; I64-T67 PolarHBondContact O-OG1 3.39Å; T65-T67 PolarHBondContact O-N 2.84Å; T67-Y71 PolarHBondContact O-N 2.84Å; T67-V199 WeakPolarHBondContact OG1-CG1 3.38Å; T67-L203 HydrophobicContact CG2-CD2 4.4Å; T67-L251 HydrophobicContact CG2-CD2 3.72Å; T67-L251 HydrophobicContact CG2-CG 4.04Å; T67-K252 HydrophobicContact CG2-CB 3.83Å; T67-K252 HydrophobicContact CG2-CG 4.42Å; T67-V264 HydrophobicContact CG2-CG1 4.25Å
68I98.9Very high98.8Very high0 Ų017.8 Ų17.80%09%0.09CC..Hα-helixtrans-70.2-46.5173.5-52.9166000109.3T65 A70 Y71 L72 M150 L154 I164 M191 V199T65-I68 WeakPolarHBondContact O-CB 3.23Å; T65-I68 PolarHBondContact O-N 3.42Å; I68-A70 VanDerWaalsContact C-N 3.27Å; I68-A70 PolarHBondContact O-N 2.77Å; I68-Y71 WeakPolarHBondContact O-CB 3.3Å; I68-Y71 PolarHBondContact O-N 2.85Å; I68-Y71 VanDerWaalsContact O-N 3.14Å; I68-L72 PolarHBondContact O-N 3.4Å; I68-L72 VanDerWaalsContact O-N 3.08Å; I68-M150 HydrophobicContact CB-CE 3.79Å; I68-M150 HydrophobicContact CD1-CE 4.2Å; I68-M150 HydrophobicContact CG2-CB 3.92Å; I68-M150 HydrophobicContact CG2-CE 3.81Å; I68-M150 HydrophobicContact CG2-CG 3.88Å; I68-L154 HydrophobicContact CD1-CD1 4.1Å; I68-L154 HydrophobicContact CD1-CD2 4.06Å; I68-L154 HydrophobicContact CD1-CG 4.42Å; I68-L154 HydrophobicContact CG1-CD2 4.31Å; I68-I164 HydrophobicContact CD1-CD1 3.81Å; I68-M191 HydrophobicContact CD1-SD 3.87Å; I68-V199 HydrophobicContact CG1-CG1 3.81Å; I68-V199 HydrophobicContact CG1-CG2 4.25Å
69T98.9Very high98.8Very high0 Ų019.1 Ų19.10%09%0.091CC..Hα-helixtrans-58.3-42.5176.1-54.50000111.1T65 K66 Y71 L72 V73 M123 A132 F146 A167T65-T69 PolarHBondContact O-N 3.06Å; K66-T69 PolarHBondContact O-N 2.91Å; T69-Y71 PolarHBondContact O-N 2.74Å; T69-L72 PolarHBondContact O-N 2.97Å; T69-V73 VanDerWaalsContact O-CG2 3.24Å; T69-V73 WeakPolarHBondContact O-CG2 3.42Å; T69-V73 PolarHBondContact O-N 2.87Å; T69-M123 HydrophobicContact CG2-CE 4.24Å; T69-M123 HydrophobicContact CG2-SD 3.56Å; T69-M123 VanDerWaalsContact CG2-SD 3.56Å; T69-A132 HydrophobicContact CG2-CB 4.38Å; T69-F146 HydrophobicContact CG2-CE1 3.81Å; T69-F146 HydrophobicContact CG2-CZ 3.9Å; T69-A167 PolarHBondContact OG1-O 3.48Å
70A99Very high98.8Very high0 Ų025.7 Ų25.70%012%0.122CC..Hα-helixtrans-60.7-44.7175.800000112K66 I68 L72 V73 L74 F120 M123 I124 L203 I210K66-A70 WeakPolarHBondContact O-CB 3.37Å; K66-A70 PolarHBondContact O-N 2.8Å; I68-A70 VanDerWaalsContact C-N 3.27Å; I68-A70 PolarHBondContact O-N 2.77Å; A70-L72 PolarHBondContact O-N 2.93Å; A70-V73 PolarHBondContact O-N 2.78Å; A70-L74 WeakPolarHBondContact O-CB 3.49Å; A70-L74 WeakPolarHBondContact O-CD1 3.3Å; A70-L74 VanDerWaalsContact O-CG 3.27Å; A70-L74 WeakPolarHBondContact O-CG 3.44Å; A70-L74 PolarHBondContact O-N 3.25Å; A70-F120 HydrophobicContact CB-CE2 3.92Å; A70-F120 HydrophobicContact CB-CZ 3.83Å; A70-M123 HydrophobicContact CB-CE 4.01Å; A70-I124 HydrophobicContact CB-CD1 3.99Å; A70-L203 HydrophobicContact CB-CD1 4.35Å; A70-L203 HydrophobicContact CB-CD2 4.26Å; A70-I210 HydrophobicContact CB-CD1 4.37Å
71Y98.9Very high98.8Very high17 Ų1732.3 Ų32.37%0.06715%0.15CC..Hα-helixtrans-56.3-52.2176.6-172.1-83.3000111.5T67 I68 T69 V73 L74 E75 Q153 W157 H202 L203 D206 F207T67-Y71 PolarHBondContact O-N 2.84Å; I68-Y71 WeakPolarHBondContact O-CB 3.3Å; I68-Y71 PolarHBondContact O-N 2.85Å; I68-Y71 VanDerWaalsContact O-N 3.14Å; T69-Y71 PolarHBondContact O-N 2.74Å; Y71-V73 VanDerWaalsContact C-N 3.33Å; Y71-V73 PolarHBondContact O-N 2.96Å; Y71-L74 PolarHBondContact O-N 3.15Å; Y71-E75 HydrophobicContact CE1-CB 4.38Å; Y71-E75 WeakPolarHBondContact O-CB 3.34Å; Y71-E75 PolarHBondContact O-N 3.07Å; Y71-Q153 HydrophobicContact CD1-CG 4.28Å; Y71-Q153 HydrophobicContact CE1-CG 4.34Å; Y71-W157 AromaticContact CD1-CH2 3.75Å; Y71-W157 HydrophobicContact CD1-CH2 3.75Å; Y71-W157 AromaticContact CD1-CZ2 3.74Å; Y71-W157 HydrophobicContact CD1-CZ2 3.74Å; Y71-W157 AromaticContact CD2-CH2 3.66Å; Y71-W157 HydrophobicContact CD2-CH2 3.66Å; Y71-W157 AromaticContact CD2-CZ2 3.73Å; Y71-W157 HydrophobicContact CD2-CZ2 3.73Å; Y71-W157 HydrophobicContact CE1-CH2 4.04Å; Y71-W157 AromaticContact CE1-CZ2 3.52Å; Y71-W157 HydrophobicContact CE1-CZ2 3.52Å; Y71-W157 AromaticContact CE2-CH2 3.95Å; Y71-W157 HydrophobicContact CE2-CH2 3.95Å; Y71-W157 AromaticContact CE2-CZ2 3.49Å; Y71-W157 HydrophobicContact CE2-CZ2 3.49Å; Y71-W157 VanDerWaalsContact CE2-CZ2 3.49Å; Y71-W157 AromaticContact CG-CH2 3.57Å; Y71-W157 HydrophobicContact CG-CH2 3.57Å; Y71-W157 AromaticContact CG-CZ2 3.86Å; Y71-W157 HydrophobicContact CG-CZ2 3.86Å; Y71-W157 AromaticContact CZ-CZ2 3.41Å; Y71-W157 VanDerWaalsContact CZ-CZ2 3.41Å; Y71-H202 HydrophobicContact CD2-CB 4.48Å; Y71-H202 HydrophobicContact CE2-CB 4.06Å; Y71-L203 HydrophobicContact CD2-CB 4.37Å; Y71-L203 HydrophobicContact CD2-CD1 4.25Å; Y71-D206 HydrophobicContact CE2-CB 3.92Å; Y71-D206 VanDerWaalsContact CE2-OD2 3.32Å; Y71-D206 WeakPolarHBondContact CE2-OD2 3.07Å; Y71-D206 PolarHBondContact OH-OD2 2.99Å; Y71-F207 HydrophobicContact CD1-CE2 4.29Å; Y71-F207 AromaticContact CD2-CD2 3.9Å; Y71-F207 HydrophobicContact CD2-CD2 3.9Å; Y71-F207 AromaticContact CD2-CE2 3.72Å; Y71-F207 HydrophobicContact CD2-CE2 3.72Å; Y71-F207 HydrophobicContact CE1-CE2 4.09Å; Y71-F207 AromaticContact CE2-CD2 3.9Å; Y71-F207 HydrophobicContact CE2-CD2 3.9Å; Y71-F207 AromaticContact CE2-CE2 3.5Å; Y71-F207 HydrophobicContact CE2-CE2 3.5Å; Y71-F207 VanDerWaalsContact CE2-CE2 3.5Å; Y71-F207 HydrophobicContact CG-CE2 4.1Å; Y71-F207 AromaticContact CZ-CE2 3.68Å
72L98.9Very high98.8Very high8 Ų833 Ų334%0.04215%0.153CC..Hα-helixtrans-66-34.1-177.3-67179.4000112.8I68 T69 A70 A76 F146 Q149 M150 Q153I68-L72 PolarHBondContact O-N 3.4Å; I68-L72 VanDerWaalsContact O-N 3.08Å; T69-L72 PolarHBondContact O-N 2.97Å; A70-L72 PolarHBondContact O-N 2.93Å; L72-A76 WeakPolarHBondContact O-CB 3.36Å; L72-A76 PolarHBondContact O-N 3.03Å; L72-F146 HydrophobicContact CB-CE2 3.9Å; L72-F146 HydrophobicContact CB-CZ 3.72Å; L72-F146 HydrophobicContact CD1-CE1 4.03Å; L72-F146 HydrophobicContact CD1-CE2 3.96Å; L72-F146 HydrophobicContact CD1-CZ 3.68Å; L72-F146 HydrophobicContact CG-CZ 4.33Å; L72-Q149 HydrophobicContact CD1-CB 4.12Å; L72-M150 HydrophobicContact CD1-CB 4.32Å; L72-M150 HydrophobicContact CD1-CG 3.6Å; L72-Q153 HydrophobicContact CD2-CB 4.17Å; L72-Q153 HydrophobicContact CD2-CG 4.27Å
73V98.9Very high98.8Very high0 Ų035.8 Ų35.80%017%0.173CC..Hα-helixtrans-66.8-47.3174175.30000111T69 A70 Y71 E75 A76 I77 I82 V116 F120 L135 I139T69-V73 VanDerWaalsContact O-CG2 3.24Å; T69-V73 WeakPolarHBondContact O-CG2 3.42Å; T69-V73 PolarHBondContact O-N 2.87Å; A70-V73 PolarHBondContact O-N 2.78Å; Y71-V73 VanDerWaalsContact C-N 3.33Å; Y71-V73 PolarHBondContact O-N 2.96Å; V73-E75 VanDerWaalsContact C-N 3.29Å; V73-E75 PolarHBondContact O-N 2.89Å; V73-A76 PolarHBondContact O-N 3Å; V73-I77 HydrophobicContact CG1-CD1 4.05Å; V73-I77 WeakPolarHBondContact O-CG1 3.22Å; V73-I77 PolarHBondContact O-N 2.78Å; V73-I82 HydrophobicContact CG1-CD1 4.21Å; V73-V116 HydrophobicContact CG1-CG1 4.19Å; V73-F120 HydrophobicContact CB-CD2 3.94Å; V73-F120 HydrophobicContact CB-CE2 3.91Å; V73-F120 HydrophobicContact CG1-CD2 3.57Å; V73-F120 HydrophobicContact CG1-CE2 3.94Å; V73-F120 HydrophobicContact CG2-CD2 4.47Å; V73-L135 HydrophobicContact CG1-CD2 4.37Å; V73-L135 HydrophobicContact CG2-CB 3.96Å; V73-L135 HydrophobicContact CG2-CD1 4.24Å; V73-L135 HydrophobicContact CG2-CD2 4.43Å; V73-L135 HydrophobicContact CG2-CG 4.45Å; V73-I139 HydrophobicContact CB-CD1 4.06Å; V73-I139 HydrophobicContact CG2-CD1 3.51Å
74L98.9Very high98.8Very high3 Ų338.6 Ų38.62%0.01618%0.181CC..Hα-helixtrans-63.8-37.6178.1-70.6164.5000111.5A70 Y71 I77 K78 W84 F120 L203 F207 E209 I210A70-L74 WeakPolarHBondContact O-CB 3.49Å; A70-L74 WeakPolarHBondContact O-CD1 3.3Å; A70-L74 VanDerWaalsContact O-CG 3.27Å; A70-L74 WeakPolarHBondContact O-CG 3.44Å; A70-L74 PolarHBondContact O-N 3.25Å; Y71-L74 PolarHBondContact O-N 3.15Å; L74-I77 PolarHBondContact O-N 3.46Å; L74-K78 WeakPolarHBondContact O-CB 3.32Å; L74-K78 PolarHBondContact O-N 2.93Å; L74-W84 HydrophobicContact CD2-CH2 3.84Å; L74-W84 HydrophobicContact CD2-CZ2 3.68Å; L74-F120 HydrophobicContact CD1-CE2 4.33Å; L74-F120 HydrophobicContact CD1-CZ 3.75Å; L74-F120 HydrophobicContact CD2-CE2 4.38Å; L74-F120 HydrophobicContact CD2-CZ 4.03Å; L74-F120 HydrophobicContact CG-CE2 3.92Å; L74-F120 HydrophobicContact CG-CZ 3.74Å; L74-L203 HydrophobicContact CD1-CD1 3.75Å; L74-F207 HydrophobicContact CB-CB 4.22Å; L74-F207 HydrophobicContact CB-CD1 3.65Å; L74-F207 HydrophobicContact CB-CD2 3.86Å; L74-F207 HydrophobicContact CB-CE1 3.87Å; L74-F207 HydrophobicContact CB-CE2 4.08Å; L74-F207 HydrophobicContact CB-CG 3.64Å; L74-F207 HydrophobicContact CB-CZ 4.11Å; L74-F207 HydrophobicContact CD1-CB 3.68Å; L74-F207 HydrophobicContact CD1-CD2 4.27Å; L74-F207 HydrophobicContact CD1-CG 3.98Å; L74-F207 HydrophobicContact CG-CB 4.42Å; L74-F207 HydrophobicContact CG-CG 4.36Å; L74-E209 HydrophobicContact CD2-CG 4.25Å; L74-I210 HydrophobicContact CD1-CB 4.35Å; L74-I210 HydrophobicContact CD1-CD1 4.42Å
75E98.8Very high98.8Very high50 Ų5044.9 Ų44.923%0.23421%0.21CC..Hα-helixtrans-62.9-47173.3-169.2-173.2-149.200111.8Y71 V73 I77 K78 Q79 F207Y71-E75 HydrophobicContact CE1-CB 4.38Å; Y71-E75 WeakPolarHBondContact O-CB 3.34Å; Y71-E75 PolarHBondContact O-N 3.07Å; V73-E75 VanDerWaalsContact C-N 3.29Å; V73-E75 PolarHBondContact O-N 2.89Å; E75-I77 VanDerWaalsContact C-N 3.25Å; E75-I77 PolarHBondContact O-N 2.71Å; E75-K78 PolarHBondContact O-N 3.32Å; E75-K78 VanDerWaalsContact O-N 3.17Å; E75-Q79 HydrophobicContact CG-CG 4.26Å; E75-Q79 VanDerWaalsContact CG-NE2 3.3Å; E75-Q79 WeakPolarHBondContact O-CB 3.24Å; E75-Q79 VanDerWaalsContact O-CG 3.28Å; E75-Q79 WeakPolarHBondContact O-CG 3.33Å; E75-Q79 PolarHBondContact O-N 3.08Å; E75-Q79 PolarHBondContact OE1-NE2 2.97Å; E75-F207 VanDerWaalsContact CA-CZ 3.48Å; E75-F207 HydrophobicContact CB-CE2 4.36Å; E75-F207 HydrophobicContact CB-CZ 3.82Å; E75-F207 HydrophobicContact CG-CZ 4.39Å
76A98.8Very high98.7Very high4 Ų448 Ų483%0.03323%0.225CC..Hα-helixtrans-59.9-36.6176.900000112.2L72 V73 Q80 K81 I82 I139L72-A76 WeakPolarHBondContact O-CB 3.36Å; L72-A76 PolarHBondContact O-N 3.03Å; V73-A76 PolarHBondContact O-N 3Å; A76-Q80 PolarHBondContact O-N 3.25Å; A76-K81 HydrophobicContact CB-CB 4.36Å; A76-K81 WeakPolarHBondContact O-CB 3.31Å; A76-K81 PolarHBondContact O-N 2.88Å; A76-I82 HydrophobicContact CB-CD1 4.02Å; A76-I82 HydrophobicContact CB-CG1 3.89Å; A76-I82 PolarHBondContact O-N 3.27Å; A76-I139 HydrophobicContact CB-CD1 4.14Å; A76-I139 HydrophobicContact CB-CG1 4.26Å
77I98.8Very high98.7Very high30 Ų3052.7 Ų52.715%0.15425%0.247CC..Hα-helixtrans-66.3-48.8173.6-67.5166.8000110.9V73 L74 E75 Q79 Q80 I82 W84 V116V73-I77 HydrophobicContact CG1-CD1 4.05Å; V73-I77 WeakPolarHBondContact O-CG1 3.22Å; V73-I77 PolarHBondContact O-N 2.78Å; L74-I77 PolarHBondContact O-N 3.46Å; E75-I77 VanDerWaalsContact C-N 3.25Å; E75-I77 PolarHBondContact O-N 2.71Å; I77-Q79 VanDerWaalsContact C-N 3.25Å; I77-Q79 PolarHBondContact O-N 2.95Å; I77-Q80 WeakPolarHBondContact O-CA 3.44Å; I77-Q80 PolarHBondContact O-N 3.15Å; I77-I82 HydrophobicContact CG1-CD1 4.02Å; I77-I82 HydrophobicContact CG1-CG1 3.72Å; I77-W84 HydrophobicContact CD1-CD2 3.71Å; I77-W84 HydrophobicContact CD1-CE3 3.83Å; I77-W84 HydrophobicContact CD1-CG 4.41Å; I77-W84 HydrophobicContact CD1-CH2 3.74Å; I77-W84 HydrophobicContact CD1-CZ2 3.61Å; I77-W84 HydrophobicContact CD1-CZ3 3.84Å; I77-V116 HydrophobicContact CD1-CG1 4.14Å
78K98.6Very high98.6Very high141 Ų14152.7 Ų52.761%0.61325%0.247SC*.Hα-helixtrans-60.2-36.4178.1178.8174.8177.4179.40112.2L74 E75 Q80 F207L74-K78 WeakPolarHBondContact O-CB 3.32Å; L74-K78 PolarHBondContact O-N 2.93Å; E75-K78 PolarHBondContact O-N 3.32Å; E75-K78 VanDerWaalsContact O-N 3.17Å; K78-Q80 PolarHBondContact O-N 3.22Å; K78-F207 HydrophobicContact CB-CE1 3.96Å; K78-F207 HydrophobicContact CD-CD1 4.47Å; K78-F207 HydrophobicContact CD-CE1 3.55Å; K78-F207 HydrophobicContact CD-CZ 4.15Å; K78-F207 HydrophobicContact CG-CE1 4.43Å
79Q98.5Very high98.6Very high86 Ų8657.3 Ų57.340%0.40228%0.277SS..THydrogen-bonded Turntrans-79.51.8174.7-65.8176.35.500113.4E75 I77 K81E75-Q79 HydrophobicContact CG-CG 4.26Å; E75-Q79 VanDerWaalsContact CG-NE2 3.3Å; E75-Q79 WeakPolarHBondContact O-CB 3.24Å; E75-Q79 VanDerWaalsContact O-CG 3.28Å; E75-Q79 WeakPolarHBondContact O-CG 3.33Å; E75-Q79 PolarHBondContact O-N 3.08Å; E75-Q79 PolarHBondContact OE1-NE2 2.97Å; I77-Q79 VanDerWaalsContact C-N 3.25Å; I77-Q79 PolarHBondContact O-N 2.95Å; Q79-K81 HydrophobicContact CB-CD 4.37Å; Q79-K81 HydrophobicContact CB-CG 4.23Å; Q79-K81 PolarHBondContact O-N 2.92Å
80Q98.5Very high98.5Very high175 Ų17558.2 Ų58.282%0.81828%0.281SS*.THydrogen-bonded Turntrans5924.3-179.8-53.4176.53.900114.1A76 I77 K78A76-Q80 PolarHBondContact O-N 3.25Å; I77-Q80 WeakPolarHBondContact O-CA 3.44Å; I77-Q80 PolarHBondContact O-N 3.15Å; K78-Q80 PolarHBondContact O-N 3.22Å
81K98.5Very high98.5Very high145 Ų14559.7 Ų59.763%0.6329%0.292SS*.SBendtrans-75.3-33.7174.5-69.3174.6173.4165.40111.7A76 Q79A76-K81 HydrophobicContact CB-CB 4.36Å; A76-K81 WeakPolarHBondContact O-CB 3.31Å; A76-K81 PolarHBondContact O-N 2.88Å; Q79-K81 HydrophobicContact CB-CD 4.37Å; Q79-K81 HydrophobicContact CB-CG 4.23Å; Q79-K81 PolarHBondContact O-N 2.92Å
82I98.6Very high98.4Very high15 Ų1563.6 Ų63.68%0.07731%0.311CS..SBendtrans-134.9171.1172.762.9173.8000109.6V73 A76 I77 Q86 V116 L138 I139V73-I82 HydrophobicContact CG1-CD1 4.21Å; A76-I82 HydrophobicContact CB-CD1 4.02Å; A76-I82 HydrophobicContact CB-CG1 3.89Å; A76-I82 PolarHBondContact O-N 3.27Å; I77-I82 HydrophobicContact CG1-CD1 4.02Å; I77-I82 HydrophobicContact CG1-CG1 3.72Å; I82-Q86 VanDerWaalsContact CA-OE1 3.23Å; I82-V116 HydrophobicContact CD1-CG1 4.19Å; I82-V116 HydrophobicContact CD1-CG2 4.37Å; I82-L138 HydrophobicContact CD1-CD2 4.26Å; I82-L138 HydrophobicContact CG2-CD2 4.12Å; I82-L138 HydrophobicContact CG2-CG 4.25Å; I82-I139 HydrophobicContact CD1-CD1 4.13Å; I82-I139 HydrophobicContact CD1-CG1 4.03Å
83S98.7Very high98.4Very high59 Ų5964 Ų6441%0.41331%0.312SS..  trans-134.3158.3174.170.70000112E85 Q86 V116S83-E85 PolarHBondContact O-N 3.36Å; S83-Q86 VanDerWaalsContact O-CB 3.23Å; S83-Q86 WeakPolarHBondContact O-CB 3.5Å; S83-Q86 PolarHBondContact O-N 3.02Å; S83-Q86 VanDerWaalsContact O-N 3.1Å; S83-V116 WeakPolarHBondContact O-CB 3.24Å; S83-V116 WeakPolarHBondContact O-CG2 3.43Å
84W98.5Very high98.4Very high71 Ų7164 Ų6427%0.26931%0.312SS..THydrogen-bonded Turntrans-55.6-36.9-179.9-74.4117.7000114.1L74 I77 Q86 T115 V116 K117 F120 I213L74-W84 HydrophobicContact CD2-CH2 3.84Å; L74-W84 HydrophobicContact CD2-CZ2 3.68Å; I77-W84 HydrophobicContact CD1-CD2 3.71Å; I77-W84 HydrophobicContact CD1-CE3 3.83Å; I77-W84 HydrophobicContact CD1-CG 4.41Å; I77-W84 HydrophobicContact CD1-CH2 3.74Å; I77-W84 HydrophobicContact CD1-CZ2 3.61Å; I77-W84 HydrophobicContact CD1-CZ3 3.84Å; W84-Q86 VanDerWaalsContact C-N 3.35Å; W84-T115 WeakPolarHBondContact O-CB 3.49Å; W84-V116 HydrophobicContact CE3-CG1 4.09Å; W84-V116 HydrophobicContact CZ3-CG1 4.34Å; W84-V116 PolarHBondContact O-N 3.34Å; W84-K117 HydrophobicContact CB-CB 4.39Å; W84-K117 HydrophobicContact CE3-CB 3.83Å; W84-K117 HydrophobicContact CE3-CG 4.21Å; W84-K117 PolarHBondContact O-N 3.38Å; W84-F120 HydrophobicContact CH2-CB 4.43Å; W84-F120 AromaticContact CH2-CD1 3.87Å; W84-F120 HydrophobicContact CH2-CD1 3.87Å; W84-F120 HydrophobicContact CH2-CD2 4.33Å; W84-F120 HydrophobicContact CH2-CE1 4.17Å; W84-F120 AromaticContact CH2-CG 3.95Å; W84-F120 HydrophobicContact CH2-CG 3.95Å; W84-F120 HydrophobicContact CH2-CZ 4.49Å; W84-F120 HydrophobicContact CZ3-CB 3.77Å; W84-F120 HydrophobicContact CZ3-CD1 4.01Å; W84-F120 HydrophobicContact CZ3-CD2 4.35Å; W84-F120 AromaticContact CZ3-CG 3.79Å; W84-F120 HydrophobicContact CZ3-CG 3.79Å; W84-I213 HydrophobicContact CH2-CD1 4.36Å
85E98.2Very high98.3Very high133 Ų13365.9 Ų65.962%0.62132%0.32SS*.THydrogen-bonded Turntrans-89.9-0.3-176.9-54.8-57.115000113S83 E87S83-E85 PolarHBondContact O-N 3.36Å; E85-E87 PolarHBondContact O-N 3.13Å
86Q98.4Very high98.3Very high65 Ų6568.2 Ų68.230%0.30433%0.331SS..  trans-65.2128.8177.7179.1172.5-16.200109.9I82 S83 W84 T115 V116I82-Q86 VanDerWaalsContact CA-OE1 3.23Å; S83-Q86 VanDerWaalsContact O-CB 3.23Å; S83-Q86 WeakPolarHBondContact O-CB 3.5Å; S83-Q86 PolarHBondContact O-N 3.02Å; S83-Q86 VanDerWaalsContact O-N 3.1Å; W84-Q86 VanDerWaalsContact C-N 3.35Å; Q86-T115 CarbonylContact O-C 3.5Å; Q86-T115 WeakPolarHBondContact O-CA 2.92Å; Q86-V116 HydrophobicContact CB-CG2 4.1Å; Q86-V116 PolarHBondContact O-N 3.44Å
87E97.7Very high98.2Very high100 Ų10068.3 Ų68.347%0.46733%0.331SS..EExtended strand (participates in β ladder)trans-68.8135.3172-65.2179.9179.600110E85 K113 Y114E85-E87 PolarHBondContact O-N 3.13Å; E87-K113 HydrophobicContact CG-CB 4.41Å; E87-K113 VanDerWaalsContact OE1-CD 3.28Å; E87-K113 WeakPolarHBondContact OE1-CD 3.37Å; E87-K113 WeakPolarHBondContact OE1-CE 3.32Å; E87-K113 IonicContact OE1-NZ 2.75Å; E87-K113 PolarHBondContact OE1-NZ 2.92Å; E87-K113 WeakPolarHBondContact OE2-CE 3.32Å; E87-K113 IonicContact OE2-NZ 3.83Å; E87-K113 PolarHBondContact OE2-NZ 3.45Å; E87-Y114 WeakPolarHBondContact CA-O 3.07Å
88V98.3Very high98.2Very high5 Ų567.1 Ų67.13%0.0333%0.326CS..EExtended strand (participates in β ladder)trans-105.8120.8-177.9-174.30000109.6I90 Y114 V116 L119 A134 L138V88-I90 PolarHBondContact O-N 3.2Å; V88-Y114 PolarHBondContact N-O 3.26Å; V88-V116 HydrophobicContact CG2-CB 4.45Å; V88-V116 HydrophobicContact CG2-CG2 3.66Å; V88-L119 HydrophobicContact CB-CD1 3.61Å; V88-L119 HydrophobicContact CG1-CD1 3.63Å; V88-L119 HydrophobicContact CG2-CD1 3.77Å; V88-A134 HydrophobicContact CG1-CB 4.3Å; V88-L138 HydrophobicContact CG1-CB 4.17Å; V88-L138 HydrophobicContact CG1-CD1 4.39Å; V88-L138 HydrophobicContact CG1-CD2 4.33Å; V88-L138 HydrophobicContact CG2-CD2 3.78Å
89P97.4Very high98.1Very high97 Ų9764.6 Ų64.663%0.6332%0.322SS*.PPolyproline II helixtrans-67.4126.5173.228.3-32.2000109.7
90I98.4Very high98Very high18 Ų1862.4 Ų62.49%0.09232%0.315CS..PPolyproline II helixtrans-87.8124.5176.9-55.2-50.3000108.9V88 A94 E95 L108 R110 Y114 L119 A134V88-I90 PolarHBondContact O-N 3.2Å; I90-A94 HydrophobicContact CG2-CB 4.1Å; I90-E95 HydrophobicContact CG2-CB 4.19Å; I90-L108 HydrophobicContact CD1-CD1 4.22Å; I90-L108 HydrophobicContact CG2-CB 3.96Å; I90-L108 HydrophobicContact CG2-CD1 4.5Å; I90-R110 WeakPolarHBondContact O-CG 3.31Å; I90-Y114 HydrophobicContact CD1-CD2 3.97Å; I90-Y114 HydrophobicContact CG1-CD2 3.7Å; I90-Y114 HydrophobicContact CG1-CE2 4.03Å; I90-L119 HydrophobicContact CD1-CD1 4.31Å; I90-A134 HydrophobicContact CD1-CB 4.07Å
91S98.1Very high97.8Very high31 Ų3159.8 Ų59.822%0.21731%0.313CS..PPolyproline II helixtrans-76.6161.4173.464.50000111.4Y93 A94 E95 E137S91-Y93 PolarHBondContact O-N 3.18Å; S91-A94 PolarHBondContact O-N 2.91Å; S91-A94 WeakPolarHBondContact OG-CB 3.27Å; S91-A94 PolarHBondContact OG-N 3.41Å; S91-A94 VanDerWaalsContact OG-N 3.08Å; S91-E95 PolarHBondContact O-N 3.23Å; S91-E137 WeakPolarHBondContact CB-OE2 3.35Å; S91-E137 PolarHBondContact OG-OE1 2.82Å; S91-E137 PolarHBondContact OG-OE2 3.44Å
92E97.8Very high97.5Very high99 Ų9959.6 Ų59.646%0.46331%0.314SS..Hα-helixtrans-60.6-36.2172.1-179.8161.4175.500111.9E95 Q96 R110E92-E95 PolarHBondContact O-N 2.93Å; E92-Q96 HydrophobicContact CG-CG 4.34Å; E92-Q96 WeakPolarHBondContact O-CB 3.48Å; E92-Q96 VanDerWaalsContact O-CG 3.24Å; E92-Q96 WeakPolarHBondContact O-CG 3.48Å; E92-Q96 PolarHBondContact O-N 2.98Å; E92-Q96 PolarHBondContact OE1-NE2 3.33Å; E92-Q96 VanDerWaalsContact OE1-NE2 3.11Å; E92-R110 IonicContact OE2-CZ 3.97Å; E92-R110 IonicContact OE2-NH1 2.7Å; E92-R110 PolarHBondContact OE2-NH1 2.88Å; E92-R110 IonicContact OE2-NH2 2.73Å
93Y98.1Very high97.4Very high18 Ų1860 Ų607%0.07132%0.316CS..Hα-helixtrans-59.9-51.4174170.4-143.7000111.7S91 E95 Q96 L97 V133 E143 H178S91-Y93 PolarHBondContact O-N 3.18Å; Y93-E95 PolarHBondContact O-N 2.94Å; Y93-Q96 PolarHBondContact O-N 2.7Å; Y93-L97 HydrophobicContact CE2-CB 4.49Å; Y93-L97 HydrophobicContact CE2-CD2 4.32Å; Y93-L97 WeakPolarHBondContact O-CB 3.23Å; Y93-L97 PolarHBondContact O-N 2.85Å; Y93-V133 HydrophobicContact CD1-CG1 3.57Å; Y93-V133 HydrophobicContact CE1-CB 4.42Å; Y93-V133 HydrophobicContact CE1-CG1 3.39Å; Y93-V133 HydrophobicContact CE1-CG2 4.13Å; Y93-V133 HydrophobicContact CG-CG1 4.48Å; Y93-E143 WeakPolarHBondContact CE1-OE2 3.47Å; Y93-E143 PolarHBondContact OH-OE2 3.4Å; Y93-H178 HydrophobicContact CD1-CB 4.25Å; Y93-H178 AromaticContact CD1-CG 3.77Å; Y93-H178 AromaticContact CD1-ND1 3.75Å; Y93-H178 HydrophobicContact CD2-CB 4.3Å; Y93-H178 AromaticContact CD2-CD2 3.17Å; Y93-H178 WeakPolarHBondContact CD2-CD2 3.42Å; Y93-H178 AromaticContact CD2-CG 3.64Å; Y93-H178 AromaticContact CD2-NE2 3.53Å; Y93-H178 HydrophobicContact CE1-CB 3.75Å; Y93-H178 AromaticContact CE1-CG 3.79Å; Y93-H178 HydrophobicContact CE2-CB 3.83Å; Y93-H178 AromaticContact CE2-CD2 3.47Å; Y93-H178 VanDerWaalsContact CE2-CD2 3.47Å; Y93-H178 WeakPolarHBondContact CE2-CD2 3.32Å; Y93-H178 AromaticContact CE2-CG 3.68Å; Y93-H178 AromaticContact CG-CD2 3.55Å; Y93-H178 AromaticContact CG-CE1 3.68Å; Y93-H178 AromaticContact CG-CG 3.69Å; Y93-H178 AromaticContact CG-ND1 3.77Å; Y93-H178 AromaticContact CG-NE2 3.55Å; Y93-H178 AromaticContact CZ-CG 3.76Å
94A98.3Very high97.3Very high0 Ų059 Ų590%031%0.31CS..Hα-helixtrans-63.3-41.7178.400000112.2I90 S91 S98 A130 V133 A134I90-A94 HydrophobicContact CG2-CB 4.1Å; S91-A94 PolarHBondContact O-N 2.91Å; S91-A94 WeakPolarHBondContact OG-CB 3.27Å; S91-A94 PolarHBondContact OG-N 3.41Å; S91-A94 VanDerWaalsContact OG-N 3.08Å; A94-S98 WeakPolarHBondContact O-CB 3.45Å; A94-S98 PolarHBondContact O-N 3.18Å; A94-A130 VanDerWaalsContact O-CB 3.23Å; A94-A130 WeakPolarHBondContact O-CB 3.37Å; A94-V133 HydrophobicContact CB-CG1 4.3Å; A94-A134 HydrophobicContact CB-CB 4.36Å
95E98Very high97.3Very high41 Ų4156.6 Ų56.619%0.19230%0.302CS..Hα-helixtrans-58.6-52.4174.6172.6172-107.600111.3I90 S91 E92 Y93 L97 S98 V109 R110I90-E95 HydrophobicContact CG2-CB 4.19Å; S91-E95 PolarHBondContact O-N 3.23Å; E92-E95 PolarHBondContact O-N 2.93Å; Y93-E95 PolarHBondContact O-N 2.94Å; E95-L97 PolarHBondContact O-N 3.2Å; E95-S98 WeakPolarHBondContact O-CB 3.38Å; E95-S98 PolarHBondContact O-N 3.11Å; E95-S98 PolarHBondContact O-OG 2.9Å; E95-V109 WeakPolarHBondContact OE1-CA 3.29Å; E95-R110 HydrophobicContact CB-CG 4.28Å; E95-R110 PolarHBondContact OE1-N 3.04Å; E95-R110 IonicContact OE2-CZ 3.98Å; E95-R110 IonicContact OE2-NE 2.65Å; E95-R110 PolarHBondContact OE2-NE 2.91Å; E95-R110 IonicContact OE2-NH2 3.57Å; E95-R110 PolarHBondContact OE2-NH2 3.06Å; E95-R110 VanDerWaalsContact OE2-NH2 3.13Å
96Q97.9Very high97.2Very high99 Ų9950.3 Ų50.346%0.46327%0.273SS..Hα-helixtrans-59.8-49179.8-72.8175.64.800111.6E92 Y93 S98 T99E92-Q96 HydrophobicContact CG-CG 4.34Å; E92-Q96 WeakPolarHBondContact O-CB 3.48Å; E92-Q96 VanDerWaalsContact O-CG 3.24Å; E92-Q96 WeakPolarHBondContact O-CG 3.48Å; E92-Q96 PolarHBondContact O-N 2.98Å; E92-Q96 PolarHBondContact OE1-NE2 3.33Å; E92-Q96 VanDerWaalsContact OE1-NE2 3.11Å; Y93-Q96 PolarHBondContact O-N 2.7Å; Q96-S98 PolarHBondContact O-N 3.37Å; Q96-T99 PolarHBondContact O-N 2.95Å; Q96-T99 VanDerWaalsContact O-N 3.09Å; Q96-T99 PolarHBondContact O-OG1 2.77Å
97L98.1Very high97.2Very high6 Ų649.6 Ų49.63%0.03127%0.273CS..Hα-helixtrans-59.3-33.7178.6-174.964.6000112.1Y93 E95 T99 V100 L103 N105 N129 A130 V133 L170Y93-L97 HydrophobicContact CE2-CB 4.49Å; Y93-L97 HydrophobicContact CE2-CD2 4.32Å; Y93-L97 WeakPolarHBondContact O-CB 3.23Å; Y93-L97 PolarHBondContact O-N 2.85Å; E95-L97 PolarHBondContact O-N 3.2Å; L97-T99 PolarHBondContact O-N 3.02Å; L97-V100 HydrophobicContact CD1-CG2 4.42Å; L97-V100 PolarHBondContact O-N 2.89Å; L97-L103 HydrophobicContact CD1-CD1 3.63Å; L97-N105 PolarHBondContact O-ND2 3.34Å; L97-N129 HydrophobicContact CD2-CB 4.32Å; L97-A130 HydrophobicContact CB-CB 4.4Å; L97-V133 HydrophobicContact CD2-CG2 3.84Å; L97-L170 HydrophobicContact CD1-CD1 3.99Å; L97-L170 HydrophobicContact CD2-CD1 4.15Å
98S98Very high97.2Very high6 Ų644.9 Ų44.94%0.04225%0.251CS..Hα-helixtrans-66.2-15.9-179.883.40000114.1A94 E95 Q96 N105 V106 L108A94-S98 WeakPolarHBondContact O-CB 3.45Å; A94-S98 PolarHBondContact O-N 3.18Å; E95-S98 WeakPolarHBondContact O-CB 3.38Å; E95-S98 PolarHBondContact O-N 3.11Å; E95-S98 PolarHBondContact O-OG 2.9Å; Q96-S98 PolarHBondContact O-N 3.37Å; S98-N105 WeakPolarHBondContact O-CB 3.36Å; S98-V106 WeakPolarHBondContact CB-O 3.36Å; S98-L108 PolarHBondContact OG-N 2.85Å; S98-L108 PolarHBondContact OG-O 3.29Å
99T96.7Very high97.2Very high88 Ų8846.7 Ų46.754%0.5426%0.262SS..THydrogen-bonded Turntrans-104.40.2-175.965.60000114.1Q96 L97 P101Q96-T99 PolarHBondContact O-N 2.95Å; Q96-T99 VanDerWaalsContact O-N 3.09Å; Q96-T99 PolarHBondContact O-OG1 2.77Å; L97-T99 PolarHBondContact O-N 3.02Å; T99-P101 VanDerWaalsContact O-CD 3.27Å; T99-P101 WeakPolarHBondContact O-CD 3.25Å
100V97.1Very high97.1Very high40 Ų4046.9 Ų46.924%0.24225%0.25CC..  trans-71.5114.2178.7-177.60000109.8L97 E102 L103 Y174L97-V100 HydrophobicContact CD1-CG2 4.42Å; L97-V100 PolarHBondContact O-N 2.89Å; V100-E102 VanDerWaalsContact C-N 3.29Å; V100-E102 VanDerWaalsContact CG1-OE2 3.29Å; V100-E102 WeakPolarHBondContact CG1-OE2 3.32Å; V100-E102 PolarHBondContact O-N 3.47Å; V100-L103 HydrophobicContact CB-CB 4.4Å; V100-L103 HydrophobicContact CB-CD1 3.92Å; V100-L103 HydrophobicContact CB-CG 4.05Å; V100-L103 HydrophobicContact CG1-CB 4.49Å; V100-L103 HydrophobicContact CG1-CD1 3.88Å; V100-L103 HydrophobicContact CG1-CG 3.75Å; V100-L103 HydrophobicContact CG2-CD1 4.4Å; V100-L103 PolarHBondContact O-N 3.25Å; V100-Y174 HydrophobicContact CG1-CD1 4.48Å
101P92.6Very high96.9Very high120 Ų12054.2 Ų54.278%0.77929%0.289SS*.THydrogen-bonded Turntrans-62.8-28.9-170.6-25.235.5000115.2T99 L103T99-P101 VanDerWaalsContact O-CD 3.27Å; T99-P101 WeakPolarHBondContact O-CD 3.25Å; P101-L103 VanDerWaalsContact C-N 3.26Å; P101-L103 PolarHBondContact O-N 3.39Å
102E93Very high96.7Very high141 Ų14155 Ų5566%0.65929%0.29SS*.THydrogen-bonded Turntrans-77.1-11.9-177.5-6078.4-17200113V100V100-E102 VanDerWaalsContact C-N 3.29Å; V100-E102 VanDerWaalsContact CG1-OE2 3.29Å; V100-E102 WeakPolarHBondContact CG1-OE2 3.32Å; V100-E102 PolarHBondContact O-N 3.47Å
103L96.1Very high96.5Very high22 Ų2256.7 Ų56.712%0.11530%0.295CS..SBendtrans-108141.8-171.4-57.9-174.3000112.1L97 V100 P101 N105 L170 Y174L97-L103 HydrophobicContact CD1-CD1 3.63Å; V100-L103 HydrophobicContact CB-CB 4.4Å; V100-L103 HydrophobicContact CB-CD1 3.92Å; V100-L103 HydrophobicContact CB-CG 4.05Å; V100-L103 HydrophobicContact CG1-CB 4.49Å; V100-L103 HydrophobicContact CG1-CD1 3.88Å; V100-L103 HydrophobicContact CG1-CG 3.75Å; V100-L103 HydrophobicContact CG2-CD1 4.4Å; V100-L103 PolarHBondContact O-N 3.25Å; P101-L103 VanDerWaalsContact C-N 3.26Å; P101-L103 PolarHBondContact O-N 3.39Å; L103-N105 PolarHBondContact O-N 3.34Å; L103-N105 VanDerWaalsContact O-N 3.14Å; L103-L170 HydrophobicContact CD1-CD1 3.87Å; L103-L170 HydrophobicContact CD1-CD2 4.08Å; L103-L170 HydrophobicContact CD2-CD2 3.61Å; L103-L170 HydrophobicContact CG-CD2 4.39Å; L103-Y174 HydrophobicContact CD1-CD1 3.97Å; L103-Y174 HydrophobicContact CD1-CG 4.02Å; L103-Y174 HydrophobicContact CD2-CD1 3.84Å; L103-Y174 HydrophobicContact CD2-CD2 4.05Å; L103-Y174 HydrophobicContact CD2-CE1 3.83Å; L103-Y174 HydrophobicContact CD2-CE2 4.04Å; L103-Y174 HydrophobicContact CD2-CG 3.95Å; L103-Y174 HydrophobicContact CG-CD1 4.14Å; L103-Y174 HydrophobicContact CG-CE1 4.39Å; L103-Y174 HydrophobicContact CG-CG 4.46Å
104S96.8Very high96.5Very high39 Ų3955.8 Ų55.827%0.27329%0.292SS..  trans-64115.7170.4-49.90000110.4Q126 A128 N129S104-Q126 WeakPolarHBondContact CB-O 3.46Å; S104-A128 WeakPolarHBondContact O-CA 3.45Å; S104-N129 PolarHBondContact O-N 3.38Å; S104-N129 PolarHBondContact O-ND2 3.12Å
105N97.8Very high96.5Very high20 Ų2057 Ų5711%0.10730%0.299CS..  trans-151.6167-178.5-85.1-53.7000111.6L97 S98 L103 N129 A130L97-N105 PolarHBondContact O-ND2 3.34Å; S98-N105 WeakPolarHBondContact O-CB 3.36Å; L103-N105 PolarHBondContact O-N 3.34Å; L103-N105 VanDerWaalsContact O-N 3.14Å; N105-N129 PolarHBondContact OD1-N 3.49Å; N105-A130 WeakPolarHBondContact OD1-CB 3.24Å; N105-A130 PolarHBondContact OD1-N 3.37Å
106V97.5Very high96.5Very high2 Ų255 Ų551%0.01229%0.29CS..  trans-114149.5154.7-64.20000106.5S98 L108 A122 Q126 A128 C131 F221 T229 M231S98-V106 WeakPolarHBondContact CB-O 3.36Å; V106-L108 HydrophobicContact CG2-CD2 4.14Å; V106-L108 PolarHBondContact O-N 2.78Å; V106-A122 HydrophobicContact CG1-CB 4.16Å; V106-A122 HydrophobicContact CG2-CB 3.95Å; V106-Q126 HydrophobicContact CG1-CB 4.28Å; V106-Q126 HydrophobicContact CG1-CG 4.06Å; V106-A128 HydrophobicContact CG2-CB 4.14Å; V106-C131 VanDerWaalsContact CG2-SG 3.56Å; V106-F221 HydrophobicContact CB-CB 4.41Å; V106-F221 HydrophobicContact CB-CD1 3.58Å; V106-F221 HydrophobicContact CB-CE1 3.89Å; V106-F221 HydrophobicContact CB-CG 3.93Å; V106-F221 HydrophobicContact CB-CZ 4.49Å; V106-F221 HydrophobicContact CG1-CB 3.94Å; V106-F221 HydrophobicContact CG1-CD1 4.07Å; V106-F221 HydrophobicContact CG1-CG 3.92Å; V106-F221 HydrophobicContact CG2-CD1 3.6Å; V106-F221 HydrophobicContact CG2-CD2 3.99Å; V106-F221 HydrophobicContact CG2-CE1 3.46Å; V106-F221 VanDerWaalsContact CG2-CE1 3.46Å; V106-F221 HydrophobicContact CG2-CE2 3.86Å; V106-F221 HydrophobicContact CG2-CG 3.86Å; V106-F221 HydrophobicContact CG2-CZ 3.6Å; V106-T229 HydrophobicContact CB-CG2 4.38Å; V106-T229 HydrophobicContact CG1-CG2 3.98Å; V106-M231 HydrophobicContact CG1-CG 3.91Å; V106-M231 HydrophobicContact CG1-SD 3.81Å
107T97.2Very high96.5Very high50 Ų5054.1 Ų54.131%0.30729%0.285SS..  trans-70.8124.2-179.3-56.90000110.6V109 Y114 Q227T107-V109 HydrophobicContact CG2-CG2 4.31Å; T107-Y114 PolarHBondContact O-OH 2.98Å; T107-Q227 HydrophobicContact CG2-CB 4.42Å; T107-Q227 HydrophobicContact CG2-CG 4.33Å
108L98.1Very high96.6Very high1 Ų155.5 Ų55.51%0.00529%0.292CS..  trans-106136.6172.9-57.7-176.5000109.2I90 S98 V106 Y114 L119 A130 F221I90-L108 HydrophobicContact CD1-CD1 4.22Å; I90-L108 HydrophobicContact CG2-CB 3.96Å; I90-L108 HydrophobicContact CG2-CD1 4.5Å; S98-L108 PolarHBondContact OG-N 2.85Å; S98-L108 PolarHBondContact OG-O 3.29Å; V106-L108 HydrophobicContact CG2-CD2 4.14Å; V106-L108 PolarHBondContact O-N 2.78Å; L108-Y114 HydrophobicContact CB-CE2 4.46Å; L108-Y114 HydrophobicContact CD2-CD2 4.35Å; L108-Y114 HydrophobicContact CD2-CE1 4.46Å; L108-Y114 HydrophobicContact CD2-CE2 4.14Å; L108-L119 HydrophobicContact CD1-CD2 4.37Å; L108-L119 HydrophobicContact CD2-CD2 3.74Å; L108-A130 HydrophobicContact CD1-CB 3.69Å; L108-A130 HydrophobicContact CG-CB 4.38Å; L108-F221 HydrophobicContact CD2-CE1 3.97Å; L108-F221 HydrophobicContact CD2-CZ 3.58Å
109V97.4Very high96.6Very high42 Ų4255.2 Ų55.226%0.25529%0.29SS..  trans-121.7134.5178.7-173.10000109.1E95 T107 Q112 Y114 Q227E95-V109 WeakPolarHBondContact OE1-CA 3.29Å; T107-V109 HydrophobicContact CG2-CG2 4.31Å; V109-Q112 HydrophobicContact CB-CB 4.16Å; V109-Q112 WeakPolarHBondContact O-CB 3.28Å; V109-Q112 PolarHBondContact O-N 2.89Å; V109-Y114 PolarHBondContact N-OH 3.17Å; V109-Q227 HydrophobicContact CG2-CG 3.95Å
110R96.6Very high96.7Very high101 Ų10151 Ų5138%0.38126%0.264SS..THydrogen-bonded Turntrans-59.4150.2170.7-74.7-171.8-71.9-176.2-9.8110.6I90 E92 E95 Q112I90-R110 WeakPolarHBondContact O-CG 3.31Å; E92-R110 IonicContact OE2-CZ 3.97Å; E92-R110 IonicContact OE2-NH1 2.7Å; E92-R110 PolarHBondContact OE2-NH1 2.88Å; E92-R110 IonicContact OE2-NH2 2.73Å; E95-R110 HydrophobicContact CB-CG 4.28Å; E95-R110 PolarHBondContact OE1-N 3.04Å; E95-R110 IonicContact OE2-CZ 3.98Å; E95-R110 IonicContact OE2-NE 2.65Å; E95-R110 PolarHBondContact OE2-NE 2.91Å; E95-R110 IonicContact OE2-NH2 3.57Å; E95-R110 PolarHBondContact OE2-NH2 3.06Å; E95-R110 VanDerWaalsContact OE2-NH2 3.13Å; R110-Q112 PolarHBondContact O-N 3.24Å
111D93Very high96.8Very high173 Ų17349.9 Ų49.993%0.92526%0.256SS*.THydrogen-bonded Turntrans64.7-5.2-175.4-50.4-44.4000116.1
112Q95.1Very high97.1Very high48 Ų4844.1 Ų44.122%0.22422%0.219CC..  trans-79.6138.1169.2-178.565.765.500110.3V109 R110 Y114 S226V109-Q112 HydrophobicContact CB-CB 4.16Å; V109-Q112 WeakPolarHBondContact O-CB 3.28Å; V109-Q112 PolarHBondContact O-N 2.89Å; R110-Q112 PolarHBondContact O-N 3.24Å; Q112-Y114 HydrophobicContact CB-CD2 4.27Å; Q112-Y114 HydrophobicContact CB-CE2 3.57Å; Q112-Y114 HydrophobicContact CG-CD1 4.37Å; Q112-Y114 HydrophobicContact CG-CD2 4.16Å; Q112-Y114 HydrophobicContact CG-CE1 3.78Å; Q112-Y114 HydrophobicContact CG-CE2 3.54Å; Q112-Y114 PolarHBondContact O-N 3.16Å; Q112-S226 PolarHBondContact OE1-OG 3.36Å
113K93.4Very high97.3Very high133 Ų13337.4 Ų37.458%0.57819%0.188SC*.  trans-84.5105179.1-66.2170.4164.1-114.40110.1E87E87-K113 HydrophobicContact CG-CB 4.41Å; E87-K113 VanDerWaalsContact OE1-CD 3.28Å; E87-K113 WeakPolarHBondContact OE1-CD 3.37Å; E87-K113 WeakPolarHBondContact OE1-CE 3.32Å; E87-K113 IonicContact OE1-NZ 2.75Å; E87-K113 PolarHBondContact OE1-NZ 2.92Å; E87-K113 WeakPolarHBondContact OE2-CE 3.32Å; E87-K113 IonicContact OE2-NZ 3.83Å; E87-K113 PolarHBondContact OE2-NZ 3.45Å
114Y98Very high97.5Very high0 Ų036.7 Ų36.70%018%0.184CC..EExtended strand (participates in β ladder)trans-111.1138.6168.9-55.6-76.6000109.2E87 V88 I90 T107 L108 V109 Q112 L119 F221 A222E87-Y114 WeakPolarHBondContact CA-O 3.07Å; V88-Y114 PolarHBondContact N-O 3.26Å; I90-Y114 HydrophobicContact CD1-CD2 3.97Å; I90-Y114 HydrophobicContact CG1-CD2 3.7Å; I90-Y114 HydrophobicContact CG1-CE2 4.03Å; T107-Y114 PolarHBondContact O-OH 2.98Å; L108-Y114 HydrophobicContact CB-CE2 4.46Å; L108-Y114 HydrophobicContact CD2-CD2 4.35Å; L108-Y114 HydrophobicContact CD2-CE1 4.46Å; L108-Y114 HydrophobicContact CD2-CE2 4.14Å; V109-Y114 PolarHBondContact N-OH 3.17Å; Q112-Y114 HydrophobicContact CB-CD2 4.27Å; Q112-Y114 HydrophobicContact CB-CE2 3.57Å; Q112-Y114 HydrophobicContact CG-CD1 4.37Å; Q112-Y114 HydrophobicContact CG-CD2 4.16Å; Q112-Y114 HydrophobicContact CG-CE1 3.78Å; Q112-Y114 HydrophobicContact CG-CE2 3.54Å; Q112-Y114 PolarHBondContact O-N 3.16Å; Y114-L119 HydrophobicContact CG-CD2 4.42Å; Y114-F221 AromaticContact CD1-CE1 3.89Å; Y114-F221 HydrophobicContact CD1-CE1 3.89Å; Y114-F221 HydrophobicContact CD1-CE2 4.37Å; Y114-F221 AromaticContact CD1-CZ 3.49Å; Y114-F221 HydrophobicContact CD1-CZ 3.49Å; Y114-F221 VanDerWaalsContact CD1-CZ 3.49Å; Y114-F221 AromaticContact CE1-CE1 3.51Å; Y114-F221 HydrophobicContact CE1-CE1 3.51Å; Y114-F221 AromaticContact CE1-CZ 3.61Å; Y114-F221 HydrophobicContact CE1-CZ 3.61Å; Y114-F221 HydrophobicContact CG-CZ 4.27Å; Y114-A222 HydrophobicContact CD1-CB 3.66Å; Y114-A222 HydrophobicContact CE1-CB 3.69Å
115T98Very high97.5Very high24 Ų2434.9 Ų34.915%0.14717%0.171CC..EExtended strand (participates in β ladder)trans-87160.8176.564.10000111.5W84 Q86 K117 D118 L119W84-T115 WeakPolarHBondContact O-CB 3.49Å; Q86-T115 CarbonylContact O-C 3.5Å; Q86-T115 WeakPolarHBondContact O-CA 2.92Å; T115-K117 PolarHBondContact O-N 3.25Å; T115-D118 WeakPolarHBondContact CB-OD2 3.43Å; T115-D118 PolarHBondContact N-OD2 3.49Å; T115-D118 PolarHBondContact O-N 2.64Å; T115-D118 VanDerWaalsContact O-N 3.14Å; T115-D118 PolarHBondContact OG1-N 3.46Å; T115-D118 VanDerWaalsContact OG1-N 3.12Å; T115-D118 PolarHBondContact OG1-OD2 3.25Å; T115-L119 PolarHBondContact O-N 3.14Å; T115-L119 VanDerWaalsContact O-N 3.17Å
116V98.7Very high97.6Very high0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-51.6-39.4169.1171.30000110.7V73 I77 I82 S83 W84 Q86 V88 L119 F120 L135 L138V73-V116 HydrophobicContact CG1-CG1 4.19Å; I77-V116 HydrophobicContact CD1-CG1 4.14Å; I82-V116 HydrophobicContact CD1-CG1 4.19Å; I82-V116 HydrophobicContact CD1-CG2 4.37Å; S83-V116 WeakPolarHBondContact O-CB 3.24Å; S83-V116 WeakPolarHBondContact O-CG2 3.43Å; W84-V116 HydrophobicContact CE3-CG1 4.09Å; W84-V116 HydrophobicContact CZ3-CG1 4.34Å; W84-V116 PolarHBondContact O-N 3.34Å; Q86-V116 HydrophobicContact CB-CG2 4.1Å; Q86-V116 PolarHBondContact O-N 3.44Å; V88-V116 HydrophobicContact CG2-CB 4.45Å; V88-V116 HydrophobicContact CG2-CG2 3.66Å; V116-L119 PolarHBondContact O-N 3.24Å; V116-F120 WeakPolarHBondContact O-CB 3.32Å; V116-F120 PolarHBondContact O-N 2.9Å; V116-L135 HydrophobicContact CG1-CD2 4Å; V116-L138 HydrophobicContact CG2-CD2 3.51Å
117K98.4Very high97.6Very high81 Ų8135.4 Ų35.435%0.35217%0.173SC..Hα-helixtrans-62.4-47.8177.5-171.9-178.4178.7-171.20112.9W84 T115 L119 F120 E121W84-K117 HydrophobicContact CB-CB 4.39Å; W84-K117 HydrophobicContact CE3-CB 3.83Å; W84-K117 HydrophobicContact CE3-CG 4.21Å; W84-K117 PolarHBondContact O-N 3.38Å; T115-K117 PolarHBondContact O-N 3.25Å; K117-L119 VanDerWaalsContact C-N 3.31Å; K117-L119 PolarHBondContact O-N 3.43Å; K117-F120 PolarHBondContact O-N 3.01Å; K117-E121 WeakPolarHBondContact CE-OE1 3.31Å; K117-E121 HydrophobicContact CG-CG 4.34Å; K117-E121 WeakPolarHBondContact O-CB 3.27Å; K117-E121 WeakPolarHBondContact O-CG 3.35Å; K117-E121 PolarHBondContact O-N 3.44Å
118D98.2Very high97.7Very high35 Ų3533 Ų3319%0.18716%0.158CC..Hα-helixtrans-57.1-48.3178.7-63.5-53.1000110.6T115 A122 F221T115-D118 WeakPolarHBondContact CB-OD2 3.43Å; T115-D118 PolarHBondContact N-OD2 3.49Å; T115-D118 PolarHBondContact O-N 2.64Å; T115-D118 VanDerWaalsContact O-N 3.14Å; T115-D118 PolarHBondContact OG1-N 3.46Å; T115-D118 VanDerWaalsContact OG1-N 3.12Å; T115-D118 PolarHBondContact OG1-OD2 3.25Å; D118-A122 WeakPolarHBondContact O-CB 3.24Å; D118-A122 PolarHBondContact O-N 3.13Å; D118-A122 VanDerWaalsContact O-N 3.07Å; D118-F221 HydrophobicContact CB-CD2 4.21Å; D118-F221 HydrophobicContact CB-CE2 3.75Å; D118-F221 WeakPolarHBondContact O-CE2 3.35Å
119L98.8Very high97.7Very high0 Ų033.1 Ų33.10%016%0.159CC..Hα-helixtrans-68.4-41.4-178.1-60.3-176.3000112.1V88 I90 L108 Y114 T115 V116 K117 A122 M123 C131 A134 L135 F221V88-L119 HydrophobicContact CB-CD1 3.61Å; V88-L119 HydrophobicContact CG1-CD1 3.63Å; V88-L119 HydrophobicContact CG2-CD1 3.77Å; I90-L119 HydrophobicContact CD1-CD1 4.31Å; L108-L119 HydrophobicContact CD1-CD2 4.37Å; L108-L119 HydrophobicContact CD2-CD2 3.74Å; Y114-L119 HydrophobicContact CG-CD2 4.42Å; T115-L119 PolarHBondContact O-N 3.14Å; T115-L119 VanDerWaalsContact O-N 3.17Å; V116-L119 PolarHBondContact O-N 3.24Å; K117-L119 VanDerWaalsContact C-N 3.31Å; K117-L119 PolarHBondContact O-N 3.43Å; L119-A122 PolarHBondContact O-N 2.94Å; L119-M123 VanDerWaalsContact O-CB 3.3Å; L119-M123 WeakPolarHBondContact O-CB 3.06Å; L119-M123 PolarHBondContact O-N 2.86Å; L119-C131 HydrophobicContact CB-CB 4.12Å; L119-C131 HydrophobicContact CD2-CB 4.31Å; L119-C131 WeakPolarHBondContact O-CB 3.38Å; L119-A134 HydrophobicContact CD1-CB 3.87Å; L119-L135 HydrophobicContact CB-CD1 4.14Å; L119-L135 HydrophobicContact CB-CD2 4.11Å; L119-L135 HydrophobicContact CB-CG 3.98Å; L119-L135 HydrophobicContact CD1-CD2 4.5Å; L119-L135 HydrophobicContact CD1-CG 4.49Å; L119-F221 HydrophobicContact CD2-CE2 4.18Å; L119-F221 HydrophobicContact CD2-CZ 4.1Å
120F98.9Very high97.8Very high0 Ų031.1 Ų31.10%015%0.147CC..Hα-helixtrans-66.1-45.9-179.7-172.6-83.7000111.6A70 V73 L74 W84 V116 K117 A122 M123 I124 L135 I210 I213A70-F120 HydrophobicContact CB-CE2 3.92Å; A70-F120 HydrophobicContact CB-CZ 3.83Å; V73-F120 HydrophobicContact CB-CD2 3.94Å; V73-F120 HydrophobicContact CB-CE2 3.91Å; V73-F120 HydrophobicContact CG1-CD2 3.57Å; V73-F120 HydrophobicContact CG1-CE2 3.94Å; V73-F120 HydrophobicContact CG2-CD2 4.47Å; L74-F120 HydrophobicContact CD1-CE2 4.33Å; L74-F120 HydrophobicContact CD1-CZ 3.75Å; L74-F120 HydrophobicContact CD2-CE2 4.38Å; L74-F120 HydrophobicContact CD2-CZ 4.03Å; L74-F120 HydrophobicContact CG-CE2 3.92Å; L74-F120 HydrophobicContact CG-CZ 3.74Å; W84-F120 HydrophobicContact CH2-CB 4.43Å; W84-F120 AromaticContact CH2-CD1 3.87Å; W84-F120 HydrophobicContact CH2-CD1 3.87Å; W84-F120 HydrophobicContact CH2-CD2 4.33Å; W84-F120 HydrophobicContact CH2-CE1 4.17Å; W84-F120 AromaticContact CH2-CG 3.95Å; W84-F120 HydrophobicContact CH2-CG 3.95Å; W84-F120 HydrophobicContact CH2-CZ 4.49Å; W84-F120 HydrophobicContact CZ3-CB 3.77Å; W84-F120 HydrophobicContact CZ3-CD1 4.01Å; W84-F120 HydrophobicContact CZ3-CD2 4.35Å; W84-F120 AromaticContact CZ3-CG 3.79Å; W84-F120 HydrophobicContact CZ3-CG 3.79Å; V116-F120 WeakPolarHBondContact O-CB 3.32Å; V116-F120 PolarHBondContact O-N 2.9Å; K117-F120 PolarHBondContact O-N 3.01Å; F120-A122 VanDerWaalsContact C-N 3.33Å; F120-A122 PolarHBondContact O-N 3.42Å; F120-M123 HydrophobicContact CD2-CE 3.92Å; F120-M123 HydrophobicContact CE2-CE 4.03Å; F120-M123 WeakPolarHBondContact O-CB 3.4Å; F120-M123 PolarHBondContact O-N 3Å; F120-I124 HydrophobicContact CD1-CG1 4.17Å; F120-I124 HydrophobicContact CE1-CG1 3.85Å; F120-I124 HydrophobicContact CZ-CG1 4.36Å; F120-I124 WeakPolarHBondContact O-CG1 3.48Å; F120-I124 PolarHBondContact O-N 3.39Å; F120-I124 VanDerWaalsContact O-N 3.08Å; F120-L135 HydrophobicContact CB-CD1 4.24Å; F120-L135 HydrophobicContact CD2-CD1 4.41Å; F120-I210 HydrophobicContact CE1-CD1 3.79Å; F120-I210 HydrophobicContact CZ-CD1 3.78Å; F120-I213 HydrophobicContact CD1-CD1 3.69Å; F120-I213 HydrophobicContact CD1-CG2 4.39Å; F120-I213 HydrophobicContact CE1-CD1 3.52Å; F120-I213 HydrophobicContact CE1-CG2 4.37Å
121E98.6Very high97.9Very high15 Ų1526.3 Ų26.37%0.0713%0.129CC..Hα-helixtrans-63-41.1177.1-69.1176.3156.200111K117 I124 V125 I213 K219K117-E121 WeakPolarHBondContact CE-OE1 3.31Å; K117-E121 HydrophobicContact CG-CG 4.34Å; K117-E121 WeakPolarHBondContact O-CB 3.27Å; K117-E121 WeakPolarHBondContact O-CG 3.35Å; K117-E121 PolarHBondContact O-N 3.44Å; E121-I124 PolarHBondContact O-N 3.4Å; E121-V125 WeakPolarHBondContact O-CB 2.93Å; E121-V125 VanDerWaalsContact O-CG2 3.31Å; E121-V125 WeakPolarHBondContact O-CG2 3.42Å; E121-V125 PolarHBondContact O-N 3Å; E121-I213 HydrophobicContact CB-CG2 4.49Å; E121-I213 HydrophobicContact CG-CG2 4.13Å; E121-K219 IonicContact OE1-NZ 3.56Å; E121-K219 PolarHBondContact OE1-NZ 3.4Å; E121-K219 WeakPolarHBondContact OE2-CE 3.44Å; E121-K219 IonicContact OE2-NZ 3.34Å; E121-K219 PolarHBondContact OE2-NZ 3.05Å
122A98.7Very high98.2Very high0 Ų018.1 Ų18.10%09%0.085CC..Hα-helixtrans-65.9-37.7175.200000113.7V106 D118 L119 F120 I124 Q126 S127 A128 F221 M231V106-A122 HydrophobicContact CG1-CB 4.16Å; V106-A122 HydrophobicContact CG2-CB 3.95Å; D118-A122 WeakPolarHBondContact O-CB 3.24Å; D118-A122 PolarHBondContact O-N 3.13Å; D118-A122 VanDerWaalsContact O-N 3.07Å; L119-A122 PolarHBondContact O-N 2.94Å; F120-A122 VanDerWaalsContact C-N 3.33Å; F120-A122 PolarHBondContact O-N 3.42Å; A122-I124 VanDerWaalsContact C-N 3.28Å; A122-I124 PolarHBondContact O-N 2.97Å; A122-Q126 WeakPolarHBondContact O-CB 3.46Å; A122-Q126 PolarHBondContact O-N 3.36Å; A122-Q126 VanDerWaalsContact O-N 3.07Å; A122-S127 PolarHBondContact O-N 3.38Å; A122-A128 HydrophobicContact CB-CB 4.1Å; A122-A128 WeakPolarHBondContact O-CB 3.48Å; A122-A128 PolarHBondContact O-N 3.1Å; A122-A128 VanDerWaalsContact O-N 3.08Å; A122-F221 HydrophobicContact CB-CD2 3.65Å; A122-F221 HydrophobicContact CB-CE2 3.96Å; A122-F221 HydrophobicContact CB-CG 4.44Å; A122-M231 WeakPolarHBondContact CA-SD 3.37Å; A122-M231 HydrophobicContact CB-CE 4.4Å; A122-M231 HydrophobicContact CB-SD 3.52Å; A122-M231 VanDerWaalsContact CB-SD 3.52Å
123M98.8Very high98.3Very high0 Ų015.8 Ų15.80%07%0.074CC..Hα-helixtrans-60.7-38.9174.5179.6-175.470.100111.5K66 T69 A70 L119 F120 S127 C131 A132 L135K66-M123 HydrophobicContact CB-CG 4.15Å; K66-M123 HydrophobicContact CB-SD 4.34Å; K66-M123 HydrophobicContact CD-CG 3.68Å; K66-M123 HydrophobicContact CG-CG 4.06Å; K66-M123 HydrophobicContact CG-SD 4.44Å; T69-M123 HydrophobicContact CG2-CE 4.24Å; T69-M123 HydrophobicContact CG2-SD 3.56Å; T69-M123 VanDerWaalsContact CG2-SD 3.56Å; A70-M123 HydrophobicContact CB-CE 4.01Å; L119-M123 VanDerWaalsContact O-CB 3.3Å; L119-M123 WeakPolarHBondContact O-CB 3.06Å; L119-M123 PolarHBondContact O-N 2.86Å; F120-M123 HydrophobicContact CD2-CE 3.92Å; F120-M123 HydrophobicContact CE2-CE 4.03Å; F120-M123 WeakPolarHBondContact O-CB 3.4Å; F120-M123 PolarHBondContact O-N 3Å; M123-S127 VanDerWaalsContact O-CA 3.24Å; M123-S127 WeakPolarHBondContact O-CA 3.31Å; M123-C131 HydrophobicContact CB-CB 4.17Å; M123-A132 HydrophobicContact CG-CB 4.08Å; M123-A132 HydrophobicContact SD-CB 3.77Å; M123-L135 HydrophobicContact CE-CD1 4.22Å; M123-L135 HydrophobicContact SD-CD1 4.05Å
124I98.8Very high98.6Very high7 Ų79.5 Ų9.54%0.0365%0.046CC..Hα-helixtrans-81.3-52.3-179.2-62.4-57.9000111.7A70 F120 E121 A122 I210 I213A70-I124 HydrophobicContact CB-CD1 3.99Å; F120-I124 HydrophobicContact CD1-CG1 4.17Å; F120-I124 HydrophobicContact CE1-CG1 3.85Å; F120-I124 HydrophobicContact CZ-CG1 4.36Å; F120-I124 WeakPolarHBondContact O-CG1 3.48Å; F120-I124 PolarHBondContact O-N 3.39Å; F120-I124 VanDerWaalsContact O-N 3.08Å; E121-I124 PolarHBondContact O-N 3.4Å; A122-I124 VanDerWaalsContact C-N 3.28Å; A122-I124 PolarHBondContact O-N 2.97Å; I124-I210 HydrophobicContact CD1-CD1 4.05Å; I124-I210 HydrophobicContact CG1-CD1 4.1Å; I124-I213 HydrophobicContact CB-CG2 3.85Å; I124-I213 HydrophobicContact CG1-CG2 4.17Å; I124-I213 HydrophobicContact CG2-CG2 3.89Å
125V98.6Very high98.6Very high0 Ų09.5 Ų9.50%05%0.046CC..Hα-helixtrans-74.6-60.1-172.2178.90000111.1E121 S127 I216 M231 N233E121-V125 WeakPolarHBondContact O-CB 2.93Å; E121-V125 VanDerWaalsContact O-CG2 3.31Å; E121-V125 WeakPolarHBondContact O-CG2 3.42Å; E121-V125 PolarHBondContact O-N 3Å; V125-S127 VanDerWaalsContact C-N 3.26Å; V125-S127 PolarHBondContact O-N 2.91Å; V125-I216 HydrophobicContact CG2-CB 3.86Å; V125-I216 HydrophobicContact CG2-CD1 4.41Å; V125-I216 HydrophobicContact CG2-CG2 4.06Å; V125-M231 HydrophobicContact CG1-CB 4.05Å; V125-N233 HydrophobicContact CG1-CB 4.18Å
126Q98.2Very high98.7Very high31 Ų318.3 Ų8.315%0.1454%0.039CC..THydrogen-bonded Turntrans-82-5.9-177.9-167.354.429.400112.8S104 V106 A122 A128 M231 E232 W234S104-Q126 WeakPolarHBondContact CB-O 3.46Å; V106-Q126 HydrophobicContact CG1-CB 4.28Å; V106-Q126 HydrophobicContact CG1-CG 4.06Å; A122-Q126 WeakPolarHBondContact O-CB 3.46Å; A122-Q126 PolarHBondContact O-N 3.36Å; A122-Q126 VanDerWaalsContact O-N 3.07Å; Q126-A128 PolarHBondContact O-N 3.05Å; Q126-M231 HydrophobicContact CB-CB 3.97Å; Q126-M231 HydrophobicContact CB-CG 3.81Å; Q126-M231 HydrophobicContact CB-SD 3.72Å; Q126-M231 HydrophobicContact CG-CB 4.45Å; Q126-M231 HydrophobicContact CG-CG 4.21Å; Q126-M231 VanDerWaalsContact OE1-CA 3.31Å; Q126-E232 VanDerWaalsContact OE1-N 3.1Å; Q126-E232 PolarHBondContact OE1-O 3.48Å; Q126-W234 PolarHBondContact O-NE1 2.96Å
127S98.4Very high98.7Very high3 Ų310.2 Ų10.22%0.0215%0.048CC..  trans60.929.7-170.7-160.80000113.2S63 K66 A122 M123 V125 N129 K252S63-S127 WeakPolarHBondContact CB-OG 3.5Å; S63-S127 PolarHBondContact OG-OG 3.5Å; K66-S127 WeakPolarHBondContact CE-O 3.44Å; K66-S127 PolarHBondContact NZ-O 2.69Å; A122-S127 PolarHBondContact O-N 3.38Å; M123-S127 VanDerWaalsContact O-CA 3.24Å; M123-S127 WeakPolarHBondContact O-CA 3.31Å; V125-S127 VanDerWaalsContact C-N 3.26Å; V125-S127 PolarHBondContact O-N 2.91Å; S127-N129 PolarHBondContact O-N 3.02Å; S127-K252 VanDerWaalsContact CB-NZ 3.33Å; S127-K252 WeakPolarHBondContact OG-CE 3.39Å; S127-K252 PolarHBondContact OG-NZ 2.98Å
128A98.6Very high98.7Very high0 Ų08 Ų80%04%0.04CC..  trans-61.3118.3-17200000112.5K66 S104 V106 A122 Q126 C131 A132K66-A128 WeakPolarHBondContact CE-O 3.43Å; S104-A128 WeakPolarHBondContact O-CA 3.45Å; V106-A128 HydrophobicContact CG2-CB 4.14Å; A122-A128 HydrophobicContact CB-CB 4.1Å; A122-A128 WeakPolarHBondContact O-CB 3.48Å; A122-A128 PolarHBondContact O-N 3.1Å; A122-A128 VanDerWaalsContact O-N 3.08Å; Q126-A128 PolarHBondContact O-N 3.05Å; A128-C131 HydrophobicContact CB-CB 3.98Å; A128-C131 VanDerWaalsContact CB-SG 3.58Å; A128-A132 PolarHBondContact O-N 2.9Å
129N98.8Very high98.7Very high3 Ų38 Ų82%0.0164%0.04CC..Hα-helixtrans-73.6-45.6-174.7-67-65.8000112.5K66 L97 S104 N105 S127 C131 A132 V133 L170K66-N129 PolarHBondContact NZ-OD1 3.47Å; L97-N129 HydrophobicContact CD2-CB 4.32Å; S104-N129 PolarHBondContact O-N 3.38Å; S104-N129 PolarHBondContact O-ND2 3.12Å; N105-N129 PolarHBondContact OD1-N 3.49Å; S127-N129 PolarHBondContact O-N 3.02Å; N129-C131 PolarHBondContact O-N 3.35Å; N129-A132 WeakPolarHBondContact O-CB 3.47Å; N129-A132 PolarHBondContact O-N 3.08Å; N129-V133 PolarHBondContact O-N 2.82Å; N129-L170 HydrophobicContact CB-CD1 3.75Å; N129-L170 HydrophobicContact CB-CG 4.29Å
130A98.6Very high98.7Very high0 Ų09 Ų90%05%0.047CC..Hα-helixtrans-62.7-30.9178.700000112.7A94 L97 N105 L108 V133 A134A94-A130 VanDerWaalsContact O-CB 3.23Å; A94-A130 WeakPolarHBondContact O-CB 3.37Å; L97-A130 HydrophobicContact CB-CB 4.4Å; N105-A130 WeakPolarHBondContact OD1-CB 3.24Å; N105-A130 PolarHBondContact OD1-N 3.37Å; L108-A130 HydrophobicContact CD1-CB 3.69Å; L108-A130 HydrophobicContact CG-CB 4.38Å; A130-V133 PolarHBondContact O-N 3.49Å; A130-A134 WeakPolarHBondContact O-CB 3.32Å; A130-A134 PolarHBondContact O-N 3.31Å
131C98.8Very high98.7Very high0 Ų011.9 Ų11.90%08%0.077CC..Hα-helixtrans-66-37.8173-61.80000112.2V106 L119 M123 A128 N129 V133 A134 L135V106-C131 VanDerWaalsContact CG2-SG 3.56Å; L119-C131 HydrophobicContact CB-CB 4.12Å; L119-C131 HydrophobicContact CD2-CB 4.31Å; L119-C131 WeakPolarHBondContact O-CB 3.38Å; M123-C131 HydrophobicContact CB-CB 4.17Å; A128-C131 HydrophobicContact CB-CB 3.98Å; A128-C131 VanDerWaalsContact CB-SG 3.58Å; N129-C131 PolarHBondContact O-N 3.35Å; C131-V133 VanDerWaalsContact C-N 3.34Å; C131-A134 PolarHBondContact O-N 3.17Å; C131-L135 WeakPolarHBondContact O-CB 3.46Å; C131-L135 WeakPolarHBondContact O-CD1 3.5Å; C131-L135 VanDerWaalsContact O-CG 3.24Å; C131-L135 WeakPolarHBondContact O-CG 3.47Å; C131-L135 PolarHBondContact O-N 3.01Å
132A98.9Very high98.7Very high0 Ų014.4 Ų14.40%09%0.091CC..Hα-helixtrans-63.7-41.9174.700000111.3K66 T69 M123 A128 N129 A136K66-A132 HydrophobicContact CG-CB 4.45Å; T69-A132 HydrophobicContact CG2-CB 4.38Å; M123-A132 HydrophobicContact CG-CB 4.08Å; M123-A132 HydrophobicContact SD-CB 3.77Å; A128-A132 PolarHBondContact O-N 2.9Å; N129-A132 WeakPolarHBondContact O-CB 3.47Å; N129-A132 PolarHBondContact O-N 3.08Å; A132-A136 VanDerWaalsContact O-CB 3.31Å; A132-A136 WeakPolarHBondContact O-CB 3.37Å; A132-A136 PolarHBondContact O-N 3.24Å
133V98.8Very high98.7Very high0 Ų014.8 Ų14.80%09%0.093CC..Hα-helixtrans-61.9-51.9174.6173.50000111.1Y93 A94 L97 N129 A130 C131 L135 A136 E137Y93-V133 HydrophobicContact CD1-CG1 3.57Å; Y93-V133 HydrophobicContact CE1-CB 4.42Å; Y93-V133 HydrophobicContact CE1-CG1 3.39Å; Y93-V133 HydrophobicContact CE1-CG2 4.13Å; Y93-V133 HydrophobicContact CG-CG1 4.48Å; A94-V133 HydrophobicContact CB-CG1 4.3Å; L97-V133 HydrophobicContact CD2-CG2 3.84Å; N129-V133 PolarHBondContact O-N 2.82Å; A130-V133 PolarHBondContact O-N 3.49Å; C131-V133 VanDerWaalsContact C-N 3.34Å; V133-L135 VanDerWaalsContact C-N 3.32Å; V133-L135 PolarHBondContact O-N 3.34Å; V133-A136 WeakPolarHBondContact O-CB 3.34Å; V133-A136 PolarHBondContact O-N 2.88Å; V133-A136 VanDerWaalsContact O-N 3.1Å; V133-E137 HydrophobicContact CG1-CG 4.27Å; V133-E137 WeakPolarHBondContact O-CG 3.26Å; V133-E137 PolarHBondContact O-N 2.95Å
134A98.9Very high98.7Very high0 Ų017.6 Ų17.60%011%0.106CC..Hα-helixtrans-61-38.5-178.900000112.8V88 I90 A94 L119 A130 C131 L138V88-A134 HydrophobicContact CG1-CB 4.3Å; I90-A134 HydrophobicContact CD1-CB 4.07Å; A94-A134 HydrophobicContact CB-CB 4.36Å; L119-A134 HydrophobicContact CD1-CB 3.87Å; A130-A134 WeakPolarHBondContact O-CB 3.32Å; A130-A134 PolarHBondContact O-N 3.31Å; C131-A134 PolarHBondContact O-N 3.17Å; A134-L138 WeakPolarHBondContact O-CB 3.29Å; A134-L138 PolarHBondContact O-N 3.27Å
135L98.9Very high98.7Very high0 Ų019.8 Ų19.80%012%0.12CC..Hα-helixtrans-67-40174.1-72.4168.6000112.1V73 V116 L119 F120 M123 C131 V133 L138 I139V73-L135 HydrophobicContact CG1-CD2 4.37Å; V73-L135 HydrophobicContact CG2-CB 3.96Å; V73-L135 HydrophobicContact CG2-CD1 4.24Å; V73-L135 HydrophobicContact CG2-CD2 4.43Å; V73-L135 HydrophobicContact CG2-CG 4.45Å; V116-L135 HydrophobicContact CG1-CD2 4Å; L119-L135 HydrophobicContact CB-CD1 4.14Å; L119-L135 HydrophobicContact CB-CD2 4.11Å; L119-L135 HydrophobicContact CB-CG 3.98Å; L119-L135 HydrophobicContact CD1-CD2 4.5Å; L119-L135 HydrophobicContact CD1-CG 4.49Å; F120-L135 HydrophobicContact CB-CD1 4.24Å; F120-L135 HydrophobicContact CD2-CD1 4.41Å; M123-L135 HydrophobicContact CE-CD1 4.22Å; M123-L135 HydrophobicContact SD-CD1 4.05Å; C131-L135 WeakPolarHBondContact O-CB 3.46Å; C131-L135 WeakPolarHBondContact O-CD1 3.5Å; C131-L135 VanDerWaalsContact O-CG 3.24Å; C131-L135 WeakPolarHBondContact O-CG 3.47Å; C131-L135 PolarHBondContact O-N 3.01Å; V133-L135 VanDerWaalsContact C-N 3.32Å; V133-L135 PolarHBondContact O-N 3.34Å; L135-L138 PolarHBondContact O-N 3.39Å; L135-I139 WeakPolarHBondContact O-CG1 3.33Å; L135-I139 PolarHBondContact O-N 3.34Å
136A98.9Very high98.7Very high0 Ų019.8 Ų19.80%012%0.12CC..Hα-helixtrans-62.8-45.8175.300000111.9A132 V133 L138 I139 A140 F146 A167A132-A136 VanDerWaalsContact O-CB 3.31Å; A132-A136 WeakPolarHBondContact O-CB 3.37Å; A132-A136 PolarHBondContact O-N 3.24Å; V133-A136 WeakPolarHBondContact O-CB 3.34Å; V133-A136 PolarHBondContact O-N 2.88Å; V133-A136 VanDerWaalsContact O-N 3.1Å; A136-L138 VanDerWaalsContact C-N 3.35Å; A136-L138 PolarHBondContact O-N 2.86Å; A136-I139 PolarHBondContact O-N 2.95Å; A136-A140 PolarHBondContact O-N 2.92Å; A136-F146 HydrophobicContact CB-CB 3.63Å; A136-F146 HydrophobicContact CB-CD1 3.46Å; A136-F146 VanDerWaalsContact CB-CD1 3.46Å; A136-F146 HydrophobicContact CB-CD2 3.93Å; A136-F146 HydrophobicContact CB-CE1 4.02Å; A136-F146 HydrophobicContact CB-CE2 4.43Å; A136-F146 HydrophobicContact CB-CG 3.39Å; A136-F146 HydrophobicContact CB-CZ 4.45Å; A136-A167 HydrophobicContact CB-CB 3.89Å
137E98.8Very high98.7Very high39 Ų3918.3 Ų18.318%0.18211%0.113CC..Hα-helixtrans-62.6-39.5176.2-69.1179.2153.800112.1S91 V133 I139 G141S91-E137 WeakPolarHBondContact CB-OE2 3.35Å; S91-E137 PolarHBondContact OG-OE1 2.82Å; S91-E137 PolarHBondContact OG-OE2 3.44Å; V133-E137 HydrophobicContact CG1-CG 4.27Å; V133-E137 WeakPolarHBondContact O-CG 3.26Å; V133-E137 PolarHBondContact O-N 2.95Å; E137-I139 VanDerWaalsContact C-N 3.35Å; E137-I139 PolarHBondContact O-N 3.49Å; E137-G141 CarbonylContact O-C 3.59Å; E137-G141 WeakPolarHBondContact O-CA 3.47Å; E137-G141 PolarHBondContact O-N 3.48Å
138L98.8Very high98.7Very high35 Ų3521.7 Ų21.718%0.18313%0.131CC..Hα-helixtrans-59.9-44.1175.4-178.169.2000112.5I82 V88 V116 A134 L135 A136I82-L138 HydrophobicContact CD1-CD2 4.26Å; I82-L138 HydrophobicContact CG2-CD2 4.12Å; I82-L138 HydrophobicContact CG2-CG 4.25Å; V88-L138 HydrophobicContact CG1-CB 4.17Å; V88-L138 HydrophobicContact CG1-CD1 4.39Å; V88-L138 HydrophobicContact CG1-CD2 4.33Å; V88-L138 HydrophobicContact CG2-CD2 3.78Å; V116-L138 HydrophobicContact CG2-CD2 3.51Å; A134-L138 WeakPolarHBondContact O-CB 3.29Å; A134-L138 PolarHBondContact O-N 3.27Å; L135-L138 PolarHBondContact O-N 3.39Å; A136-L138 VanDerWaalsContact C-N 3.35Å; A136-L138 PolarHBondContact O-N 2.86Å
139I98.7Very high98.7Very high36 Ų3624.8 Ų24.819%0.18515%0.145CC..Hα-helixtrans-79.3-41.2-172.6-70.4168.8000111.7V73 A76 I82 L135 A136 E137 F146V73-I139 HydrophobicContact CB-CD1 4.06Å; V73-I139 HydrophobicContact CG2-CD1 3.51Å; A76-I139 HydrophobicContact CB-CD1 4.14Å; A76-I139 HydrophobicContact CB-CG1 4.26Å; I82-I139 HydrophobicContact CD1-CD1 4.13Å; I82-I139 HydrophobicContact CD1-CG1 4.03Å; L135-I139 WeakPolarHBondContact O-CG1 3.33Å; L135-I139 PolarHBondContact O-N 3.34Å; A136-I139 PolarHBondContact O-N 2.95Å; E137-I139 VanDerWaalsContact C-N 3.35Å; E137-I139 PolarHBondContact O-N 3.49Å; I139-F146 HydrophobicContact CB-CD2 4.1Å; I139-F146 HydrophobicContact CB-CE2 4.06Å; I139-F146 HydrophobicContact CD1-CE2 3.88Å; I139-F146 HydrophobicContact CG2-CD2 4.09Å; I139-F146 HydrophobicContact CG2-CE2 4.03Å
140A98.6Very high98.7Very high19 Ų1924.6 Ų24.616%0.15715%0.145CC..Hα-helixtrans-116.5-2-169.500000114.1A136 N142 T145 F146A136-A140 PolarHBondContact O-N 2.92Å; A140-N142 PolarHBondContact O-N 3.4Å; A140-T145 HydrophobicContact CB-CG2 3.93Å; A140-F146 HydrophobicContact CB-CB 3.77Å; A140-F146 HydrophobicContact CB-CD2 4.2Å
141G98.4Very high98.8Very high61 Ų6128.6 Ų28.663%0.62916%0.16SC*.SBendtrans83.7-27.8-176.400000114.4E137E137-G141 CarbonylContact O-C 3.59Å; E137-G141 WeakPolarHBondContact O-CA 3.47Å; E137-G141 PolarHBondContact O-N 3.48Å
142N98.3Very high98.7Very high68 Ų6835.4 Ų35.436%0.36419%0.191SC..SBendtrans-156.5159.2171.859.677.3000110.8A140 H144 T145 F146A140-N142 PolarHBondContact O-N 3.4Å; N142-H144 VanDerWaalsContact C-N 3.34Å; N142-H144 PolarHBondContact O-N 2.85Å; N142-H144 PolarHBondContact OD1-N 2.97Å; N142-T145 VanDerWaalsContact CG-OG1 3.31Å; N142-T145 PolarHBondContact ND2-OG1 2.96Å; N142-T145 VanDerWaalsContact ND2-OG1 3.09Å; N142-T145 PolarHBondContact O-N 3.39Å; N142-T145 WeakPolarHBondContact OD1-CB 3.19Å; N142-T145 PolarHBondContact OD1-N 3.08Å; N142-T145 PolarHBondContact OD1-OG1 3.4Å; N142-F146 PolarHBondContact O-N 2.9Å
143E98.6Very high98.7Very high9 Ų935.9 Ų35.94%0.04219%0.194CC..Hα-helixtrans-60.8-37.4-178.1-174171.8-152.200113Y93 T145 F146 V147 N166 A167Y93-E143 WeakPolarHBondContact CE1-OE2 3.47Å; Y93-E143 PolarHBondContact OH-OE2 3.4Å; E143-T145 VanDerWaalsContact C-N 3.33Å; E143-T145 PolarHBondContact O-N 3.35Å; E143-F146 CarbonylContact O-C 3.45Å; E143-F146 WeakPolarHBondContact O-CB 3.5Å; E143-F146 PolarHBondContact O-N 3.22Å; E143-F146 VanDerWaalsContact O-N 3.14Å; E143-V147 HydrophobicContact CG-CG2 4.37Å; E143-V147 WeakPolarHBondContact O-CG2 3.24Å; E143-V147 PolarHBondContact O-N 3.48Å; E143-N166 WeakPolarHBondContact OE1-CB 3.19Å; E143-A167 HydrophobicContact CG-CB 4.21Å; E143-A167 WeakPolarHBondContact OE1-CB 3.47Å; E143-A167 PolarHBondContact OE1-N 2.86Å
144H98.5Very high98.7Very high58 Ų5836.1 Ų36.127%0.26920%0.195SC..Hα-helixtrans-63-40.1179.5-59.5166.9000112.3N142 F146 V147 N148 H178 I179 Y180N142-H144 VanDerWaalsContact C-N 3.34Å; N142-H144 PolarHBondContact O-N 2.85Å; N142-H144 PolarHBondContact OD1-N 2.97Å; H144-F146 VanDerWaalsContact C-N 3.31Å; H144-V147 PolarHBondContact O-N 2.89Å; H144-N148 PolarHBondContact O-N 2.81Å; H144-N148 VanDerWaalsContact O-N 3.13Å; H144-N148 PolarHBondContact O-ND2 3.03Å; H144-H178 PolarHBondContact NE2-O 3.14Å; H144-I179 PolarHBondContact CE1-O 2.98Å; H144-I179 PolarHBondContact NE2-O 2.92Å; H144-I179 VanDerWaalsContact NE2-O 3.15Å; H144-Y180 HydrophobicContact CB-CD2 4.23Å; H144-Y180 HydrophobicContact CB-CE2 4.15Å
145T98.7Very high98.7Very high54 Ų5440 Ų4033%0.33122%0.219SC..Hα-helixtrans-68.2-36.3176.7-53.30000110.6A140 N142 E143 N148 Q149A140-T145 HydrophobicContact CB-CG2 3.93Å; N142-T145 VanDerWaalsContact CG-OG1 3.31Å; N142-T145 PolarHBondContact ND2-OG1 2.96Å; N142-T145 VanDerWaalsContact ND2-OG1 3.09Å; N142-T145 PolarHBondContact O-N 3.39Å; N142-T145 WeakPolarHBondContact OD1-CB 3.19Å; N142-T145 PolarHBondContact OD1-N 3.08Å; N142-T145 PolarHBondContact OD1-OG1 3.4Å; E143-T145 VanDerWaalsContact C-N 3.33Å; E143-T145 PolarHBondContact O-N 3.35Å; T145-N148 WeakPolarHBondContact O-CB 3.16Å; T145-N148 PolarHBondContact O-N 3.41Å; T145-Q149 PolarHBondContact O-N 2.74Å
146F98.9Very high98.7Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-66-40.9173.4-168.6-97.7000112.1T69 L72 A136 I139 A140 N142 E143 H144 N148 Q149 M150 A167T69-F146 HydrophobicContact CG2-CE1 3.81Å; T69-F146 HydrophobicContact CG2-CZ 3.9Å; L72-F146 HydrophobicContact CB-CE2 3.9Å; L72-F146 HydrophobicContact CB-CZ 3.72Å; L72-F146 HydrophobicContact CD1-CE1 4.03Å; L72-F146 HydrophobicContact CD1-CE2 3.96Å; L72-F146 HydrophobicContact CD1-CZ 3.68Å; L72-F146 HydrophobicContact CG-CZ 4.33Å; A136-F146 HydrophobicContact CB-CB 3.63Å; A136-F146 HydrophobicContact CB-CD1 3.46Å; A136-F146 VanDerWaalsContact CB-CD1 3.46Å; A136-F146 HydrophobicContact CB-CD2 3.93Å; A136-F146 HydrophobicContact CB-CE1 4.02Å; A136-F146 HydrophobicContact CB-CE2 4.43Å; A136-F146 HydrophobicContact CB-CG 3.39Å; A136-F146 HydrophobicContact CB-CZ 4.45Å; I139-F146 HydrophobicContact CB-CD2 4.1Å; I139-F146 HydrophobicContact CB-CE2 4.06Å; I139-F146 HydrophobicContact CD1-CE2 3.88Å; I139-F146 HydrophobicContact CG2-CD2 4.09Å; I139-F146 HydrophobicContact CG2-CE2 4.03Å; A140-F146 HydrophobicContact CB-CB 3.77Å; A140-F146 HydrophobicContact CB-CD2 4.2Å; N142-F146 PolarHBondContact O-N 2.9Å; E143-F146 CarbonylContact O-C 3.45Å; E143-F146 WeakPolarHBondContact O-CB 3.5Å; E143-F146 PolarHBondContact O-N 3.22Å; E143-F146 VanDerWaalsContact O-N 3.14Å; H144-F146 VanDerWaalsContact C-N 3.31Å; F146-N148 PolarHBondContact O-N 2.88Å; F146-Q149 CarbonylContact O-C 3.56Å; F146-Q149 WeakPolarHBondContact O-CA 3.4Å; F146-Q149 WeakPolarHBondContact O-CB 3.33Å; F146-Q149 PolarHBondContact O-N 3.46Å; F146-M150 HydrophobicContact CD1-CG 3.88Å; F146-M150 HydrophobicContact CD1-SD 3.68Å; F146-M150 HydrophobicContact CE1-CG 3.8Å; F146-M150 HydrophobicContact CE1-SD 3.75Å; F146-M150 WeakPolarHBondContact O-CG 3.38Å; F146-M150 PolarHBondContact O-N 3.46Å; F146-A167 HydrophobicContact CD1-CB 3.85Å; F146-A167 HydrophobicContact CE1-CB 4.05Å
147V98.9Very high98.7Very high0 Ų047.7 Ų47.70%025%0.254CS..Hα-helixtrans-59.2-36.4174.2167.90000111.6E143 H144 M150 R151 I164 Y180E143-V147 HydrophobicContact CG-CG2 4.37Å; E143-V147 WeakPolarHBondContact O-CG2 3.24Å; E143-V147 PolarHBondContact O-N 3.48Å; H144-V147 PolarHBondContact O-N 2.89Å; V147-M150 HydrophobicContact CG2-SD 4.35Å; V147-M150 WeakPolarHBondContact O-CB 3.3Å; V147-M150 PolarHBondContact O-N 3Å; V147-R151 WeakPolarHBondContact O-CG 3.41Å; V147-R151 PolarHBondContact O-N 2.88Å; V147-I164 HydrophobicContact CG1-CG2 4.25Å; V147-I164 WeakPolarHBondContact CG1-O 3.45Å; V147-Y180 HydrophobicContact CB-CD2 3.9Å; V147-Y180 HydrophobicContact CB-CE2 3.78Å; V147-Y180 HydrophobicContact CG1-CD2 3.59Å; V147-Y180 HydrophobicContact CG1-CE2 3.47Å; V147-Y180 VanDerWaalsContact CG1-CE2 3.47Å; V147-Y180 HydrophobicContact CG1-CG 4.48Å; V147-Y180 HydrophobicContact CG2-CD2 4.34Å
148N98.8Very high98.6Very high74 Ų7448 Ų4840%0.39627%0.268SS..Hα-helixtrans-62.4-42.4172.1-73.2-44.9000112.2H144 T145 F146 M150 R151 E152 Y180H144-N148 PolarHBondContact O-N 2.81Å; H144-N148 VanDerWaalsContact O-N 3.13Å; H144-N148 PolarHBondContact O-ND2 3.03Å; T145-N148 WeakPolarHBondContact O-CB 3.16Å; T145-N148 PolarHBondContact O-N 3.41Å; F146-N148 PolarHBondContact O-N 2.88Å; N148-M150 VanDerWaalsContact C-N 3.35Å; N148-R151 PolarHBondContact O-N 3Å; N148-E152 WeakPolarHBondContact O-CB 3.42Å; N148-E152 PolarHBondContact O-N 3.48Å; N148-Y180 PolarHBondContact OD1-OH 2.88Å
149Q98.9Very high98.6Very high64 Ų6446.5 Ų46.530%0.29926%0.26SS..Hα-helixtrans-64.1-39.3174.8-64.9176.10.800111.7L72 T145 F146 R151 E152 Q153L72-Q149 HydrophobicContact CD1-CB 4.12Å; T145-Q149 PolarHBondContact O-N 2.74Å; F146-Q149 CarbonylContact O-C 3.56Å; F146-Q149 WeakPolarHBondContact O-CA 3.4Å; F146-Q149 WeakPolarHBondContact O-CB 3.33Å; F146-Q149 PolarHBondContact O-N 3.46Å; Q149-R151 PolarHBondContact O-N 2.73Å; Q149-E152 PolarHBondContact O-N 3.26Å; Q149-Q153 WeakPolarHBondContact O-CB 3.46Å; Q149-Q153 PolarHBondContact O-N 3.16Å
150M98.9Very high98.5Very high0 Ų053 Ų530%029%0.287CS..Hα-helixtrans-58.5-47.9173.7-64.9171.879.500111.3T65 I68 L72 F146 V147 N148 Q153 L154 I164 A167T65-M150 HydrophobicContact CG2-CE 3.66Å; I68-M150 HydrophobicContact CB-CE 3.79Å; I68-M150 HydrophobicContact CD1-CE 4.2Å; I68-M150 HydrophobicContact CG2-CB 3.92Å; I68-M150 HydrophobicContact CG2-CE 3.81Å; I68-M150 HydrophobicContact CG2-CG 3.88Å; L72-M150 HydrophobicContact CD1-CB 4.32Å; L72-M150 HydrophobicContact CD1-CG 3.6Å; F146-M150 HydrophobicContact CD1-CG 3.88Å; F146-M150 HydrophobicContact CD1-SD 3.68Å; F146-M150 HydrophobicContact CE1-CG 3.8Å; F146-M150 HydrophobicContact CE1-SD 3.75Å; F146-M150 WeakPolarHBondContact O-CG 3.38Å; F146-M150 PolarHBondContact O-N 3.46Å; V147-M150 HydrophobicContact CG2-SD 4.35Å; V147-M150 WeakPolarHBondContact O-CB 3.3Å; V147-M150 PolarHBondContact O-N 3Å; N148-M150 VanDerWaalsContact C-N 3.35Å; M150-Q153 PolarHBondContact O-N 2.97Å; M150-L154 WeakPolarHBondContact O-CG 3.36Å; M150-L154 PolarHBondContact O-N 3.31Å; M150-I164 HydrophobicContact CB-CG2 4.09Å; M150-I164 HydrophobicContact CE-CG2 3.75Å; M150-I164 HydrophobicContact SD-CG2 3.95Å; M150-A167 HydrophobicContact SD-CB 4.26Å
151R98.8Very high98.5Very high84 Ų8455.6 Ų55.632%0.31730%0.298SS..Hα-helixtrans-65.2-40179-68.7172.3-179.6-1750.8112.6V147 N148 Q149 L154 T155 I164 Y180V147-R151 WeakPolarHBondContact O-CG 3.41Å; V147-R151 PolarHBondContact O-N 2.88Å; N148-R151 PolarHBondContact O-N 3Å; Q149-R151 PolarHBondContact O-N 2.73Å; R151-L154 PolarHBondContact O-N 3.11Å; R151-T155 WeakPolarHBondContact O-CB 3.45Å; R151-T155 PolarHBondContact O-N 3.31Å; R151-T155 PolarHBondContact O-OG1 3.48Å; R151-I164 HydrophobicContact CG-CB 4.17Å; R151-I164 PolarHBondContact NE-O 3.37Å; R151-I164 PolarHBondContact NH2-O 3.22Å; R151-Y180 PolarHBondContact NH1-OH 2.78Å
152E98.7Very high98.5Very high142 Ų14254 Ų5466%0.66428%0.279SS*.Hα-helixtrans-61-47.4175.1-176.2172.3-165.600110.7N148 Q149 L154 T155 E156N148-E152 WeakPolarHBondContact O-CB 3.42Å; N148-E152 PolarHBondContact O-N 3.48Å; Q149-E152 PolarHBondContact O-N 3.26Å; E152-L154 PolarHBondContact O-N 2.94Å; E152-T155 WeakPolarHBondContact O-CB 3.33Å; E152-T155 PolarHBondContact O-N 3.42Å; E152-T155 VanDerWaalsContact O-N 3.16Å; E152-E156 PolarHBondContact O-N 3.39Å
153Q98.8Very high98.5Very high11 Ų1153.6 Ų53.65%0.05128%0.279CS..Hα-helixtrans-61.1-44.5178-174.362.281.500112.5Y71 L72 Q149 M150 T155 E156 W157Y71-Q153 HydrophobicContact CD1-CG 4.28Å; Y71-Q153 HydrophobicContact CE1-CG 4.34Å; L72-Q153 HydrophobicContact CD2-CB 4.17Å; L72-Q153 HydrophobicContact CD2-CG 4.27Å; Q149-Q153 WeakPolarHBondContact O-CB 3.46Å; Q149-Q153 PolarHBondContact O-N 3.16Å; M150-Q153 PolarHBondContact O-N 2.97Å; Q153-T155 VanDerWaalsContact C-N 3.3Å; Q153-T155 PolarHBondContact O-N 3.2Å; Q153-E156 PolarHBondContact NE2-OE2 3.25Å; Q153-E156 WeakPolarHBondContact O-CB 3.45Å; Q153-E156 PolarHBondContact O-N 2.96Å; Q153-W157 HydrophobicContact CG-CD2 4.2Å; Q153-W157 HydrophobicContact CG-CE3 4.24Å; Q153-W157 HydrophobicContact CG-CH2 3.57Å; Q153-W157 HydrophobicContact CG-CZ2 3.49Å; Q153-W157 VanDerWaalsContact CG-CZ2 3.49Å; Q153-W157 HydrophobicContact CG-CZ3 3.93Å; Q153-W157 VanDerWaalsContact NE2-NE1 3.16Å; Q153-W157 PolarHBondContact O-N 3.32Å; Q153-W157 VanDerWaalsContact O-N 3.14Å
154L98.8Very high98.5Very high4 Ų453.2 Ų53.22%0.02128%0.277CS..Hα-helixtrans-60.7-41.2175.8-69.7-175000111.6I68 M150 R151 E152 E156 W157 G158 I159 A162 I164 M191 V199I68-L154 HydrophobicContact CD1-CD1 4.1Å; I68-L154 HydrophobicContact CD1-CD2 4.06Å; I68-L154 HydrophobicContact CD1-CG 4.42Å; I68-L154 HydrophobicContact CG1-CD2 4.31Å; M150-L154 WeakPolarHBondContact O-CG 3.36Å; M150-L154 PolarHBondContact O-N 3.31Å; R151-L154 PolarHBondContact O-N 3.11Å; E152-L154 PolarHBondContact O-N 2.94Å; L154-E156 VanDerWaalsContact C-N 3.32Å; L154-E156 PolarHBondContact O-N 2.83Å; L154-W157 HydrophobicContact CD2-CE3 4Å; L154-W157 HydrophobicContact CD2-CZ3 4.14Å; L154-W157 CarbonylContact O-C 3.58Å; L154-W157 PolarHBondContact O-N 3.13Å; L154-G158 PolarHBondContact O-N 3.09Å; L154-I159 CarbonylContact C-O 3.56Å; L154-I159 HydrophobicContact CB-CB 4.09Å; L154-I159 HydrophobicContact CB-CG2 4.3Å; L154-I159 HydrophobicContact CD2-CD1 3.7Å; L154-I159 WeakPolarHBondContact O-CB 3.44Å; L154-I159 PolarHBondContact O-N 3.46Å; L154-A162 HydrophobicContact CD1-CB 3.76Å; L154-I164 HydrophobicContact CD1-CD1 3.98Å; L154-I164 HydrophobicContact CD1-CG1 3.51Å; L154-M191 HydrophobicContact CD1-SD 4.35Å; L154-M191 HydrophobicContact CD2-CE 4.26Å; L154-V199 HydrophobicContact CD2-CG2 3.61Å
155T98.5Very high98.5Very high83 Ų8350.7 Ų50.751%0.50927%0.265SS..Hα-helixtrans-63.1-39.3177.3-58.70000111.6R151 E152 Q153 W157 G158R151-T155 WeakPolarHBondContact O-CB 3.45Å; R151-T155 PolarHBondContact O-N 3.31Å; R151-T155 PolarHBondContact O-OG1 3.48Å; E152-T155 WeakPolarHBondContact O-CB 3.33Å; E152-T155 PolarHBondContact O-N 3.42Å; E152-T155 VanDerWaalsContact O-N 3.16Å; Q153-T155 VanDerWaalsContact C-N 3.3Å; Q153-T155 PolarHBondContact O-N 3.2Å; T155-W157 VanDerWaalsContact C-N 3.3Å; T155-W157 PolarHBondContact O-N 3.35Å; T155-G158 PolarHBondContact O-N 3Å
156E98.2Very high98.5Very high147 Ų14748.1 Ų48.169%0.68725%0.25SC*.Hα-helixtrans-61.5-37.8174.9-174.7179.1-16900112E152 Q153 L154 G158E152-E156 PolarHBondContact O-N 3.39Å; Q153-E156 PolarHBondContact NE2-OE2 3.25Å; Q153-E156 WeakPolarHBondContact O-CB 3.45Å; Q153-E156 PolarHBondContact O-N 2.96Å; L154-E156 VanDerWaalsContact C-N 3.32Å; L154-E156 PolarHBondContact O-N 2.83Å; E156-G158 PolarHBondContact O-N 3.09Å
157W98.3Very high98.5Very high14 Ų1448.1 Ų48.15%0.05325%0.25CC..THydrogen-bonded Turntrans-785.8172.9-60.5-23.9000114.2Y71 Q153 L154 T155 I159 I198 V199 H202Y71-W157 AromaticContact CD1-CH2 3.75Å; Y71-W157 HydrophobicContact CD1-CH2 3.75Å; Y71-W157 AromaticContact CD1-CZ2 3.74Å; Y71-W157 HydrophobicContact CD1-CZ2 3.74Å; Y71-W157 AromaticContact CD2-CH2 3.66Å; Y71-W157 HydrophobicContact CD2-CH2 3.66Å; Y71-W157 AromaticContact CD2-CZ2 3.73Å; Y71-W157 HydrophobicContact CD2-CZ2 3.73Å; Y71-W157 HydrophobicContact CE1-CH2 4.04Å; Y71-W157 AromaticContact CE1-CZ2 3.52Å; Y71-W157 HydrophobicContact CE1-CZ2 3.52Å; Y71-W157 AromaticContact CE2-CH2 3.95Å; Y71-W157 HydrophobicContact CE2-CH2 3.95Å; Y71-W157 AromaticContact CE2-CZ2 3.49Å; Y71-W157 HydrophobicContact CE2-CZ2 3.49Å; Y71-W157 VanDerWaalsContact CE2-CZ2 3.49Å; Y71-W157 AromaticContact CG-CH2 3.57Å; Y71-W157 HydrophobicContact CG-CH2 3.57Å; Y71-W157 AromaticContact CG-CZ2 3.86Å; Y71-W157 HydrophobicContact CG-CZ2 3.86Å; Y71-W157 AromaticContact CZ-CZ2 3.41Å; Y71-W157 VanDerWaalsContact CZ-CZ2 3.41Å; Q153-W157 HydrophobicContact CG-CD2 4.2Å; Q153-W157 HydrophobicContact CG-CE3 4.24Å; Q153-W157 HydrophobicContact CG-CH2 3.57Å; Q153-W157 HydrophobicContact CG-CZ2 3.49Å; Q153-W157 VanDerWaalsContact CG-CZ2 3.49Å; Q153-W157 HydrophobicContact CG-CZ3 3.93Å; Q153-W157 VanDerWaalsContact NE2-NE1 3.16Å; Q153-W157 PolarHBondContact O-N 3.32Å; Q153-W157 VanDerWaalsContact O-N 3.14Å; L154-W157 HydrophobicContact CD2-CE3 4Å; L154-W157 HydrophobicContact CD2-CZ3 4.14Å; L154-W157 CarbonylContact O-C 3.58Å; L154-W157 PolarHBondContact O-N 3.13Å; T155-W157 VanDerWaalsContact C-N 3.3Å; T155-W157 PolarHBondContact O-N 3.35Å; W157-I159 VanDerWaalsContact C-N 3.3Å; W157-I159 HydrophobicContact CB-CD1 4.29Å; W157-I159 HydrophobicContact CE3-CD1 4.36Å; W157-I159 PolarHBondContact O-N 3.27Å; W157-I198 HydrophobicContact CB-CG2 4.06Å; W157-V199 HydrophobicContact CE3-CG2 3.99Å; W157-V199 HydrophobicContact CZ3-CB 4.25Å; W157-V199 HydrophobicContact CZ3-CG1 4.15Å; W157-V199 HydrophobicContact CZ3-CG2 3.79Å; W157-H202 AromaticContact CD1-CD2 3.75Å; W157-H202 AromaticContact CD1-CE1 3.56Å; W157-H202 AromaticContact CD1-ND1 3.91Å; W157-H202 AromaticContact CD1-NE2 3.48Å; W157-H202 HydrophobicContact CD2-CB 4.36Å; W157-H202 AromaticContact CD2-CD2 3.79Å; W157-H202 AromaticContact CD2-CG 3.98Å; W157-H202 AromaticContact CE2-CD2 3.86Å; W157-H202 AromaticContact CE2-CG 3.58Å; W157-H202 AromaticContact CE2-ND1 3.89Å; W157-H202 AromaticContact CG-CD2 3.72Å; W157-H202 AromaticContact CG-NE2 3.77Å; W157-H202 HydrophobicContact CH2-CB 4.1Å; W157-H202 HydrophobicContact CZ2-CB 3.72Å; W157-H202 AromaticContact CZ2-CG 3.97Å; W157-H202 AromaticContact NE1-CD2 3.84Å; W157-H202 AromaticContact NE1-CE1 3.59Å; W157-H202 AromaticContact NE1-CG 3.62Å; W157-H202 AromaticContact NE1-ND1 3.47Å; W157-H202 PolarHBondContact NE1-ND1 3.31Å; W157-H202 AromaticContact NE1-NE2 3.85Å
158G98.1Very high98.5Very high45 Ų4548.1 Ų48.146%0.46425%0.25SC..THydrogen-bonded Turntrans78.68.6178.500000114.9L154 T155 E156L154-G158 PolarHBondContact O-N 3.09Å; T155-G158 PolarHBondContact O-N 3Å; E156-G158 PolarHBondContact O-N 3.09Å
159I98.5Very high98.5Very high3 Ų344.7 Ų44.72%0.01523%0.232CC..  trans-83.5116.4175.4-59.4163.6000108.1L154 W157 A162 M191 D195 I198 V199L154-I159 CarbonylContact C-O 3.56Å; L154-I159 HydrophobicContact CB-CB 4.09Å; L154-I159 HydrophobicContact CB-CG2 4.3Å; L154-I159 HydrophobicContact CD2-CD1 3.7Å; L154-I159 WeakPolarHBondContact O-CB 3.44Å; L154-I159 PolarHBondContact O-N 3.46Å; W157-I159 VanDerWaalsContact C-N 3.3Å; W157-I159 HydrophobicContact CB-CD1 4.29Å; W157-I159 HydrophobicContact CE3-CD1 4.36Å; W157-I159 PolarHBondContact O-N 3.27Å; I159-A162 HydrophobicContact CG2-CB 3.69Å; I159-M191 HydrophobicContact CD1-CE 4.17Å; I159-M191 HydrophobicContact CG2-CE 4.46Å; I159-D195 HydrophobicContact CD1-CB 3.95Å; I159-D195 HydrophobicContact CG1-CB 3.92Å; I159-D195 HydrophobicContact CG2-CB 3.82Å; I159-I198 HydrophobicContact CD1-CB 4.11Å; I159-I198 HydrophobicContact CD1-CG2 3.9Å; I159-I198 HydrophobicContact CG1-CD1 4.27Å; I159-I198 HydrophobicContact CG1-CG2 4.36Å; I159-V199 HydrophobicContact CD1-CG2 3.88Å
160K96.7Very high98.4Very high174 Ų17442 Ų4276%0.75722%0.22SC*.  trans-126.9-8.1-168.6-65.7179.3-175.7174.40114.7
161D97.3Very high98.4Very high72 Ų7242.5 Ų42.539%0.38522%0.223SC..SBendtrans-111.73-176.260.6-31.4000112.5P58P58-D161 HydrophobicContact CG-CB 4.31Å
162A98.6Very high98.3Very high28 Ų2838.6 Ų38.623%0.23121%0.208CC..  trans-72141173.800000112.5L154 I159 L190 M191L154-A162 HydrophobicContact CD1-CB 3.76Å; I159-A162 HydrophobicContact CG2-CB 3.69Å; A162-L190 CarbonylContact C-O 3.54Å; A162-L190 VanDerWaalsContact CA-O 3.32Å; A162-L190 WeakPolarHBondContact CA-O 3.46Å; A162-M191 HydrophobicContact CB-CG 3.66Å
163T98.7Very high98.2Very high59 Ų5934.9 Ų34.936%0.36220%0.195SC..BIsolated β-bridgetrans-105.8116.1166.2-63.70000108.2I165 N189 L190T163-I165 HydrophobicContact CG2-CG2 3.93Å; T163-N189 CarbonylContact O-C 3.59Å; T163-N189 WeakPolarHBondContact O-CA 3.34Å; T163-L190 PolarHBondContact N-O 2.6Å; T163-L190 PolarHBondContact O-N 3.43Å
164I98.8Very high98.1Very high2 Ų238.7 Ų38.71%0.0121%0.21CC..  trans-124.4121.3175.1-55-63.3000108.8I68 V147 M150 R151 L154 N189 M191I68-I164 HydrophobicContact CD1-CD1 3.81Å; V147-I164 HydrophobicContact CG1-CG2 4.25Å; V147-I164 WeakPolarHBondContact CG1-O 3.45Å; M150-I164 HydrophobicContact CB-CG2 4.09Å; M150-I164 HydrophobicContact CE-CG2 3.75Å; M150-I164 HydrophobicContact SD-CG2 3.95Å; R151-I164 HydrophobicContact CG-CB 4.17Å; R151-I164 PolarHBondContact NE-O 3.37Å; R151-I164 PolarHBondContact NH2-O 3.22Å; L154-I164 HydrophobicContact CD1-CD1 3.98Å; L154-I164 HydrophobicContact CD1-CG1 3.51Å; I164-N189 WeakPolarHBondContact CA-OD1 3.45Å; I164-N189 HydrophobicContact CD1-CB 4.2Å; I164-M191 HydrophobicContact CD1-CG 4.36Å; I164-M191 HydrophobicContact CD1-SD 4.21Å
165I98.7Very high98Very high4 Ų438.7 Ų38.72%0.02121%0.21CC..  trans-124.3-17.5-174.865.4173.1000112.6T163 N172 Y180 T183 D187 N189T163-I165 HydrophobicContact CG2-CG2 3.93Å; I165-N172 WeakPolarHBondContact CD1-OD1 3.19Å; I165-Y180 VanDerWaalsContact O-CB 3.31Å; I165-Y180 WeakPolarHBondContact O-CB 3.38Å; I165-T183 HydrophobicContact CB-CG2 4.05Å; I165-T183 HydrophobicContact CG2-CG2 3.54Å; I165-D187 VanDerWaalsContact CD1-C 3.43Å; I165-D187 HydrophobicContact CD1-CB 3.61Å; I165-D187 WeakPolarHBondContact CD1-O 3.48Å; I165-N189 VanDerWaalsContact CG1-OD1 3.25Å; I165-N189 WeakPolarHBondContact CG1-OD1 3.44Å; I165-N189 PolarHBondContact N-OD1 2.9Å
166N98.8Very high97.8Very high1 Ų137.4 Ų37.41%0.00521%0.212CC..  trans-151.9167.5174.563.365.2000111.4E143 S168 G169 L170 L175 N189E143-N166 WeakPolarHBondContact OE1-CB 3.19Å; N166-S168 PolarHBondContact OD1-N 2.78Å; N166-S168 PolarHBondContact OD1-OG 2.98Å; N166-G169 WeakPolarHBondContact OD1-CA 3.16Å; N166-G169 PolarHBondContact OD1-N 3.3Å; N166-L170 PolarHBondContact ND2-O 2.72Å; N166-L170 PolarHBondContact OD1-N 2.78Å; N166-L175 HydrophobicContact CB-CD1 3.84Å; N166-N189 PolarHBondContact N-OD1 3.19Å; N166-N189 PolarHBondContact O-ND2 3.36Å
167A98.8Very high97.6Very high0 Ų039.5 Ų39.50%022%0.222CC..SBendtrans-83.6-12-174.600000113.7T69 A136 E143 F146 M150T69-A167 PolarHBondContact OG1-O 3.48Å; A136-A167 HydrophobicContact CB-CB 3.89Å; E143-A167 HydrophobicContact CG-CB 4.21Å; E143-A167 WeakPolarHBondContact OE1-CB 3.47Å; E143-A167 PolarHBondContact OE1-N 2.86Å; F146-A167 HydrophobicContact CD1-CB 3.85Å; F146-A167 HydrophobicContact CE1-CB 4.05Å; M150-A167 HydrophobicContact SD-CB 4.26Å
168S98.7Very high97.6Very high0 Ų042.4 Ų42.40%024%0.236CC..SBendtrans-103.8-26.6-171.864.80000113.4K66 N166 L170K66-S168 PolarHBondContact NZ-O 3.42Å; N166-S168 PolarHBondContact OD1-N 2.78Å; N166-S168 PolarHBondContact OD1-OG 2.98Å; S168-L170 WeakPolarHBondContact OG-CG 3.25Å; S168-L170 PolarHBondContact OG-N 2.98Å
169G98.6Very high97.6Very high1 Ų142.8 Ų42.81%0.0123%0.227CC..  trans81.818-169.400000114.2A62 T65 N166A62-G169 CarbonylContact C-O 3.47Å; A62-G169 VanDerWaalsContact CA-O 3.29Å; A62-G169 WeakPolarHBondContact CA-O 3.37Å; A62-G169 WeakPolarHBondContact O-CA 3.44Å; T65-G169 VanDerWaalsContact OG1-CA 3.28Å; T65-G169 WeakPolarHBondContact OG1-CA 3.36Å; N166-G169 WeakPolarHBondContact OD1-CA 3.16Å; N166-G169 PolarHBondContact OD1-N 3.3Å
170L97.9Very high97.6Very high9 Ų944.1 Ų44.15%0.04723%0.232CC..  trans-71.5157.4173-74.2174.2000111.5L97 L103 N129 N166 S168 Y174 L175L97-L170 HydrophobicContact CD1-CD1 3.99Å; L97-L170 HydrophobicContact CD2-CD1 4.15Å; L103-L170 HydrophobicContact CD1-CD1 3.87Å; L103-L170 HydrophobicContact CD1-CD2 4.08Å; L103-L170 HydrophobicContact CD2-CD2 3.61Å; L103-L170 HydrophobicContact CG-CD2 4.39Å; N129-L170 HydrophobicContact CB-CD1 3.75Å; N129-L170 HydrophobicContact CB-CG 4.29Å; N166-L170 PolarHBondContact ND2-O 2.72Å; N166-L170 PolarHBondContact OD1-N 2.78Å; S168-L170 WeakPolarHBondContact OG-CG 3.25Å; S168-L170 PolarHBondContact OG-N 2.98Å; L170-Y174 HydrophobicContact CD2-CD2 4.39Å; L170-L175 HydrophobicContact CB-CD2 4.07Å; L170-L175 HydrophobicContact CD1-CD2 3.93Å
171S97.3Very high97.6Very high9 Ų940.1 Ų40.16%0.06322%0.224CC..  trans-71.2143.3163-178.50000110.4V173 Y174S171-V173 PolarHBondContact O-N 3.08Å; S171-V173 VanDerWaalsContact O-N 3.08Å; S171-Y174 PolarHBondContact O-N 3.03Å; S171-Y174 VanDerWaalsContact O-N 3.08Å
172N97.7Very high97.6Very high3 Ų340.6 Ų40.62%0.01625%0.246CC..G310 helixtrans-55.1-25.6-179.7-89.5-5.5000114I165 Y174 L175 I179 T183 E184 E185 D187I165-N172 WeakPolarHBondContact CD1-OD1 3.19Å; N172-Y174 PolarHBondContact O-N 3.1Å; N172-L175 PolarHBondContact O-N 3.23Å; N172-I179 HydrophobicContact CB-CG2 3.65Å; N172-T183 WeakPolarHBondContact ND2-CB 2.92Å; N172-T183 PolarHBondContact ND2-OG1 3.37Å; N172-E184 WeakPolarHBondContact CB-O 3.23Å; N172-E184 PolarHBondContact ND2-O 3.49Å; N172-E185 CarbonylContact C-O 3.33Å; N172-E185 WeakPolarHBondContact CB-O 3.38Å; N172-D187 PolarHBondContact N-O 3.06Å; N172-D187 VanDerWaalsContact N-O 3.15Å
173V96.5Very high97.6Very high64 Ų6440.1 Ų40.139%0.38824%0.24SC..G310 helixtrans-54.6-26.1175.3-60.10000113.4S171 E185 N186S171-V173 PolarHBondContact O-N 3.08Å; S171-V173 VanDerWaalsContact O-N 3.08Å; V173-E185 HydrophobicContact CG1-CG 3.74Å; V173-E185 VanDerWaalsContact CG1-O 3.26Å; V173-E185 WeakPolarHBondContact CG1-O 3.45Å; V173-E185 PolarHBondContact N-O 3.07Å; V173-N186 VanDerWaalsContact CG1-OD1 3.32Å; V173-N186 WeakPolarHBondContact CG1-OD1 3.33Å
174Y96.4Very high97.5Very high91 Ų9144 Ų4436%0.35725%0.254SS..G310 helixtrans-91.7-7.3180-63.3-70.7000113.8V100 L103 L170 S171 N172V100-Y174 HydrophobicContact CG1-CD1 4.48Å; L103-Y174 HydrophobicContact CD1-CD1 3.97Å; L103-Y174 HydrophobicContact CD1-CG 4.02Å; L103-Y174 HydrophobicContact CD2-CD1 3.84Å; L103-Y174 HydrophobicContact CD2-CD2 4.05Å; L103-Y174 HydrophobicContact CD2-CE1 3.83Å; L103-Y174 HydrophobicContact CD2-CE2 4.04Å; L103-Y174 HydrophobicContact CD2-CG 3.95Å; L103-Y174 HydrophobicContact CG-CD1 4.14Å; L103-Y174 HydrophobicContact CG-CE1 4.39Å; L103-Y174 HydrophobicContact CG-CG 4.46Å; L170-Y174 HydrophobicContact CD2-CD2 4.39Å; S171-Y174 PolarHBondContact O-N 3.03Å; S171-Y174 VanDerWaalsContact O-N 3.08Å; N172-Y174 PolarHBondContact O-N 3.1Å
175L96.6Very high97.3Very high4 Ų450.3 Ų50.32%0.02128%0.284CS..THydrogen-bonded Turntrans-100.2-7.2-170.3-50.1-173000113.3N166 L170 N172 E177 H178 I179N166-L175 HydrophobicContact CB-CD1 3.84Å; L170-L175 HydrophobicContact CB-CD2 4.07Å; L170-L175 HydrophobicContact CD1-CD2 3.93Å; N172-L175 PolarHBondContact O-N 3.23Å; L175-E177 PolarHBondContact O-N 3.01Å; L175-H178 VanDerWaalsContact O-CB 3.26Å; L175-H178 WeakPolarHBondContact O-CB 3.32Å; L175-H178 PolarHBondContact O-CD2 2.75Å; L175-H178 VanDerWaalsContact O-CD2 3.31Å; L175-H178 PolarHBondContact O-N 3.17Å; L175-I179 HydrophobicContact CB-CG2 3.99Å
176G93.9Very high97.1Very high55 Ų5555.4 Ų55.457%0.56731%0.311SS*.G310 helixtrans55.1-126.5178.700000112.3H178G176-H178 PolarHBondContact O-N 3Å
177E95.2Very high97.1Very high192 Ų19258.3 Ų58.390%0.89733%0.327SS*.G310 helixtrans-76.1-2.8178.6-59.9-172.9168.800113.7L175L175-E177 PolarHBondContact O-N 3.01Å
178H97.6Very high97.1Very high75 Ų7558.9 Ų58.935%0.34733%0.329SS..G310 helixtrans-90.94.3-175.9-55.5-77.8000113.9Y93 H144 L175 G176Y93-H178 HydrophobicContact CD1-CB 4.25Å; Y93-H178 AromaticContact CD1-CG 3.77Å; Y93-H178 AromaticContact CD1-ND1 3.75Å; Y93-H178 HydrophobicContact CD2-CB 4.3Å; Y93-H178 AromaticContact CD2-CD2 3.17Å; Y93-H178 WeakPolarHBondContact CD2-CD2 3.42Å; Y93-H178 AromaticContact CD2-CG 3.64Å; Y93-H178 AromaticContact CD2-NE2 3.53Å; Y93-H178 HydrophobicContact CE1-CB 3.75Å; Y93-H178 AromaticContact CE1-CG 3.79Å; Y93-H178 HydrophobicContact CE2-CB 3.83Å; Y93-H178 AromaticContact CE2-CD2 3.47Å; Y93-H178 VanDerWaalsContact CE2-CD2 3.47Å; Y93-H178 WeakPolarHBondContact CE2-CD2 3.32Å; Y93-H178 AromaticContact CE2-CG 3.68Å; Y93-H178 AromaticContact CG-CD2 3.55Å; Y93-H178 AromaticContact CG-CE1 3.68Å; Y93-H178 AromaticContact CG-CG 3.69Å; Y93-H178 AromaticContact CG-ND1 3.77Å; Y93-H178 AromaticContact CG-NE2 3.55Å; Y93-H178 AromaticContact CZ-CG 3.76Å; H144-H178 PolarHBondContact NE2-O 3.14Å; L175-H178 VanDerWaalsContact O-CB 3.26Å; L175-H178 WeakPolarHBondContact O-CB 3.32Å; L175-H178 PolarHBondContact O-CD2 2.75Å; L175-H178 VanDerWaalsContact O-CD2 3.31Å; L175-H178 PolarHBondContact O-N 3.17Å; G176-H178 PolarHBondContact O-N 3Å
179I98Very high97.1Very high53 Ų5358.9 Ų58.927%0.27233%0.329SS..SBendtrans-56.2147.4175.663.2165.8000111.6H144 N172 L175H144-I179 PolarHBondContact CE1-O 2.98Å; H144-I179 PolarHBondContact NE2-O 2.92Å; H144-I179 VanDerWaalsContact NE2-O 3.15Å; N172-I179 HydrophobicContact CB-CG2 3.65Å; L175-I179 HydrophobicContact CB-CG2 3.99Å
180Y98.2Very high97.1Very high31 Ų3161.2 Ų61.212%0.12234%0.341CS..PPolyproline II helixtrans-65.9138.9179.3-166.7-86.1000110.8H144 V147 N148 R151 I165 G182 T183H144-Y180 HydrophobicContact CB-CD2 4.23Å; H144-Y180 HydrophobicContact CB-CE2 4.15Å; V147-Y180 HydrophobicContact CB-CD2 3.9Å; V147-Y180 HydrophobicContact CB-CE2 3.78Å; V147-Y180 HydrophobicContact CG1-CD2 3.59Å; V147-Y180 HydrophobicContact CG1-CE2 3.47Å; V147-Y180 VanDerWaalsContact CG1-CE2 3.47Å; V147-Y180 HydrophobicContact CG1-CG 4.48Å; V147-Y180 HydrophobicContact CG2-CD2 4.34Å; N148-Y180 PolarHBondContact OD1-OH 2.88Å; R151-Y180 PolarHBondContact NH1-OH 2.78Å; I165-Y180 VanDerWaalsContact O-CB 3.31Å; I165-Y180 WeakPolarHBondContact O-CB 3.38Å; Y180-G182 PolarHBondContact O-N 3.11Å; Y180-T183 HydrophobicContact CD1-CG2 4.36Å; Y180-T183 PolarHBondContact O-N 2.97Å; Y180-T183 PolarHBondContact O-OG1 2.98Å
181P97.8Very high97.2Very high89 Ų8960.9 Ų60.958%0.57834%0.34SS*.THydrogen-bonded Turntrans-56129.4-177.1-28.135.5000113.4
182G97.1Very high97.2Very high83 Ų8360.5 Ų60.586%0.85634%0.337SS*.THydrogen-bonded Turntrans8412.3177.700000115.4Y180Y180-G182 PolarHBondContact O-N 3.11Å
183T97.8Very high97.3Very high18 Ų1860.4 Ų60.411%0.1134%0.336CS..  trans-100.8156.7172.163.20000111.7I165 N172 Y180 D187I165-T183 HydrophobicContact CB-CG2 4.05Å; I165-T183 HydrophobicContact CG2-CG2 3.54Å; N172-T183 WeakPolarHBondContact ND2-CB 2.92Å; N172-T183 PolarHBondContact ND2-OG1 3.37Å; Y180-T183 HydrophobicContact CD1-CG2 4.36Å; Y180-T183 PolarHBondContact O-N 2.97Å; Y180-T183 PolarHBondContact O-OG1 2.98Å; T183-D187 WeakPolarHBondContact CA-OD2 3.15Å; T183-D187 WeakPolarHBondContact CB-OD2 3.46Å
184E97.1Very high97.4Very high139 Ų13960.4 Ų60.465%0.6533%0.329SS*.  trans-93.6164.1179.1-58.8-60.8147.500112.1N172 N186 D187N172-E184 WeakPolarHBondContact CB-O 3.23Å; N172-E184 PolarHBondContact ND2-O 3.49Å; E184-N186 PolarHBondContact O-N 3.01Å; E184-N186 VanDerWaalsContact O-N 3.14Å; E184-D187 PolarHBondContact N-OD2 3.41Å; E184-D187 PolarHBondContact O-N 2.96Å; E184-D187 VanDerWaalsContact O-N 3.13Å
185E94.9Very high97.5Very high135 Ų13556.1 Ų56.163%0.63131%0.313SS*.THydrogen-bonded Turntrans-54.5-34.2-175.1174.2174.2-158.900114.1N172 V173N172-E185 CarbonylContact C-O 3.33Å; N172-E185 WeakPolarHBondContact CB-O 3.38Å; V173-E185 HydrophobicContact CG1-CG 3.74Å; V173-E185 VanDerWaalsContact CG1-O 3.26Å; V173-E185 WeakPolarHBondContact CG1-O 3.45Å; V173-E185 PolarHBondContact N-O 3.07Å
186N95Very high97.6Very high112 Ų11256 Ų5660%0.59931%0.312SS*.THydrogen-bonded Turntrans-104.910.5-177.2-64.3-64.9000113.9V173 E184V173-N186 VanDerWaalsContact CG1-OD1 3.32Å; V173-N186 WeakPolarHBondContact CG1-OD1 3.33Å; E184-N186 PolarHBondContact O-N 3.01Å; E184-N186 VanDerWaalsContact O-N 3.14Å
187D98.2Very high97.9Very high62 Ų6253.4 Ų53.433%0.33229%0.285SS..  trans-66.3148.7177.2-72.6-16.2000111I165 N172 T183 E184I165-D187 VanDerWaalsContact CD1-C 3.43Å; I165-D187 HydrophobicContact CD1-CB 3.61Å; I165-D187 WeakPolarHBondContact CD1-O 3.48Å; N172-D187 PolarHBondContact N-O 3.06Å; N172-D187 VanDerWaalsContact N-O 3.15Å; T183-D187 WeakPolarHBondContact CA-OD2 3.15Å; T183-D187 WeakPolarHBondContact CB-OD2 3.46Å; E184-D187 PolarHBondContact N-OD2 3.41Å; E184-D187 PolarHBondContact O-N 2.96Å; E184-D187 VanDerWaalsContact O-N 3.13Å
188E98.6Very high98Very high11 Ų1144.3 Ų44.35%0.05124%0.243CC..  trans-138.5166.5176.3-75-171.9-159.500110.5T256 L258E188-T256 VanDerWaalsContact CD-OG1 3.27Å; E188-T256 VanDerWaalsContact OE1-CB 3.28Å; E188-T256 WeakPolarHBondContact OE1-CB 3.42Å; E188-T256 PolarHBondContact OE1-OG1 3Å; E188-T256 WeakPolarHBondContact OE2-CB 3.4Å; E188-T256 PolarHBondContact OE2-OG1 3.35Å; E188-L258 HydrophobicContact CB-CD2 3.77Å; E188-L258 HydrophobicContact CG-CD2 4.01Å; E188-L258 WeakPolarHBondContact OE1-CB 3.41Å
189N98.9Very high98.1Very high0 Ų040.8 Ų40.80%023%0.227CC..  trans-69.3132.3171.2-68.2-6.3000111.3I61 T65 T163 I164 I165 N166I61-N189 HydrophobicContact CD1-CB 4.28Å; I61-N189 HydrophobicContact CG1-CB 3.97Å; I61-N189 PolarHBondContact N-O 3.4Å; I61-N189 VanDerWaalsContact N-O 3.15Å; T65-N189 WeakPolarHBondContact CG2-ND2 3.35Å; T65-N189 PolarHBondContact OG1-ND2 3.1Å; T163-N189 CarbonylContact O-C 3.59Å; T163-N189 WeakPolarHBondContact O-CA 3.34Å; I164-N189 WeakPolarHBondContact CA-OD1 3.45Å; I164-N189 HydrophobicContact CD1-CB 4.2Å; I165-N189 VanDerWaalsContact CG1-OD1 3.25Å; I165-N189 WeakPolarHBondContact CG1-OD1 3.44Å; I165-N189 PolarHBondContact N-OD1 2.9Å; N166-N189 PolarHBondContact N-OD1 3.19Å; N166-N189 PolarHBondContact O-ND2 3.36Å
190L98.9Very high98.2Very high51 Ų5138.3 Ų38.327%0.26721%0.214SC..EExtended strand (participates in β ladder)trans-124.4134.5-179.8-48.2178.4000111.1P58 K59 A162 T163 L258P58-L190 HydrophobicContact CB-CB 4.31Å; K59-L190 CarbonylContact O-C 3.6Å; K59-L190 VanDerWaalsContact O-CA 3.22Å; K59-L190 WeakPolarHBondContact O-CA 3.27Å; A162-L190 CarbonylContact C-O 3.54Å; A162-L190 VanDerWaalsContact CA-O 3.32Å; A162-L190 WeakPolarHBondContact CA-O 3.46Å; T163-L190 PolarHBondContact N-O 2.6Å; T163-L190 PolarHBondContact O-N 3.43Å; L190-L258 HydrophobicContact CD2-CD2 4.16Å
191M98.8Very high98.2Very high2 Ų237 Ų371%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-149154.9170.5-70.4178.161.200110.4K59 I61 I68 L154 I159 A162 I164 D195 V196 V199K59-M191 PolarHBondContact N-O 3.31Å; K59-M191 PolarHBondContact O-N 3.45Å; I61-M191 HydrophobicContact CD1-CB 4.29Å; I61-M191 HydrophobicContact CD1-CG 3.95Å; I61-M191 HydrophobicContact CD1-SD 3.68Å; I61-M191 HydrophobicContact CG2-CB 3.85Å; I68-M191 HydrophobicContact CD1-SD 3.87Å; L154-M191 HydrophobicContact CD1-SD 4.35Å; L154-M191 HydrophobicContact CD2-CE 4.26Å; I159-M191 HydrophobicContact CD1-CE 4.17Å; I159-M191 HydrophobicContact CG2-CE 4.46Å; A162-M191 HydrophobicContact CB-CG 3.66Å; I164-M191 HydrophobicContact CD1-CG 4.36Å; I164-M191 HydrophobicContact CD1-SD 4.21Å; M191-D195 HydrophobicContact CB-CB 4.39Å; M191-D195 VanDerWaalsContact CE-C 3.44Å; M191-D195 HydrophobicContact CE-CB 3.39Å; M191-V196 HydrophobicContact CB-CG2 4.06Å; M191-V196 HydrophobicContact CE-CG2 4.38Å; M191-V199 HydrophobicContact CE-CG2 3.65Å
192S98.9Very high98.2Very high1 Ų134.4 Ų34.41%0.00719%0.189CC..  trans-73.4159.5171.480.40000110.7G55 R194 D195 V196G55-S192 WeakPolarHBondContact O-CB 3.42Å; G55-S192 PolarHBondContact O-OG 3.41Å; S192-R194 PolarHBondContact O-N 3.04Å; S192-D195 WeakPolarHBondContact CB-OD2 3.45Å; S192-D195 PolarHBondContact N-OD2 2.67Å; S192-D195 PolarHBondContact O-N 3.05Å; S192-D195 PolarHBondContact OG-N 3.36Å; S192-D195 VanDerWaalsContact OG-N 3.11Å; S192-D195 PolarHBondContact OG-OD2 2.96Å; S192-V196 WeakPolarHBondContact O-CG2 3.45Å; S192-V196 PolarHBondContact O-N 2.94Å
193A98.9Very high98.3Very high0 Ų030.5 Ų30.50%015%0.149CC..Hα-helixtrans-66.1-30.117800000111.9A38 G55 A197 V277 L279A38-A193 HydrophobicContact CB-CB 4.03Å; G55-A193 PolarHBondContact O-N 2.99Å; A193-A197 PolarHBondContact O-N 3.36Å; A193-V277 HydrophobicContact CB-CB 4.23Å; A193-V277 HydrophobicContact CB-CG1 3.84Å; A193-L279 HydrophobicContact CB-CD1 3.83Å; A193-L279 HydrophobicContact CB-CG 4.1Å
194R98.9Very high98.4Very high64 Ų6430.2 Ų30.224%0.24215%0.146CC..Hα-helixtrans-60.9-48.4171176.8174.4176.4-945.2110.9Y40 G55 D56 S192 V196 A197 I198 V396Y40-R194 HydrophobicContact CD2-CB 4.36Å; Y40-R194 HydrophobicContact CE1-CB 4.2Å; Y40-R194 HydrophobicContact CE1-CG 4.2Å; Y40-R194 HydrophobicContact CE2-CB 3.94Å; Y40-R194 HydrophobicContact CE2-CG 4.35Å; G55-R194 VanDerWaalsContact O-CB 3.25Å; G55-R194 WeakPolarHBondContact O-CB 3.38Å; G55-R194 PolarHBondContact O-N 3.48Å; D56-R194 WeakPolarHBondContact OD1-CD 3.45Å; S192-R194 PolarHBondContact O-N 3.04Å; R194-V196 VanDerWaalsContact C-N 3.34Å; R194-V196 PolarHBondContact O-N 3.49Å; R194-A197 WeakPolarHBondContact O-CA 3.28Å; R194-A197 WeakPolarHBondContact O-CB 3.46Å; R194-A197 PolarHBondContact O-N 3.14Å; R194-A197 VanDerWaalsContact O-N 3.09Å; R194-I198 HydrophobicContact CG-CD1 4.38Å; R194-I198 WeakPolarHBondContact O-CG1 3.45Å; R194-I198 PolarHBondContact O-N 3.37Å; R194-V396 HydrophobicContact CG-CG2 3.98Å; R194-V396 PolarHBondContact NE-O 2.75Å; R194-V396 VanDerWaalsContact NE-O 3.13Å; R194-V396 PolarHBondContact NH2-O 2.67Å
195D98.9Very high98.4Very high2 Ų227.8 Ų27.81%0.01113%0.134CC..Hα-helixtrans-67.8-36.7-178.7-56.1-38.4000111.9I159 M191 S192 A197 I198 V199I159-D195 HydrophobicContact CD1-CB 3.95Å; I159-D195 HydrophobicContact CG1-CB 3.92Å; I159-D195 HydrophobicContact CG2-CB 3.82Å; M191-D195 HydrophobicContact CB-CB 4.39Å; M191-D195 VanDerWaalsContact CE-C 3.44Å; M191-D195 HydrophobicContact CE-CB 3.39Å; S192-D195 WeakPolarHBondContact CB-OD2 3.45Å; S192-D195 PolarHBondContact N-OD2 2.67Å; S192-D195 PolarHBondContact O-N 3.05Å; S192-D195 PolarHBondContact OG-N 3.36Å; S192-D195 VanDerWaalsContact OG-N 3.11Å; S192-D195 PolarHBondContact OG-OD2 2.96Å; D195-A197 VanDerWaalsContact C-N 3.25Å; D195-A197 PolarHBondContact O-N 2.79Å; D195-I198 WeakPolarHBondContact O-CB 3.25Å; D195-I198 PolarHBondContact O-N 2.9Å; D195-I198 VanDerWaalsContact O-N 3.16Å; D195-V199 WeakPolarHBondContact O-CG2 3.48Å; D195-V199 PolarHBondContact O-N 3.28Å
196V99Very high98.6Very high1 Ų124.1 Ų24.11%0.00612%0.118CC..Hα-helixtrans-59.7-39.7171.6172.20000110.8I61 I64 M191 S192 R194 V199 A200 V264 V277I61-V196 HydrophobicContact CG2-CG2 3.83Å; I64-V196 HydrophobicContact CG2-CG1 3.68Å; I64-V196 HydrophobicContact CG2-CG2 4.19Å; M191-V196 HydrophobicContact CB-CG2 4.06Å; M191-V196 HydrophobicContact CE-CG2 4.38Å; S192-V196 WeakPolarHBondContact O-CG2 3.45Å; S192-V196 PolarHBondContact O-N 2.94Å; R194-V196 VanDerWaalsContact C-N 3.34Å; R194-V196 PolarHBondContact O-N 3.49Å; V196-V199 PolarHBondContact O-N 3.49Å; V196-A200 WeakPolarHBondContact O-CB 3.41Å; V196-A200 PolarHBondContact O-N 2.7Å; V196-V264 HydrophobicContact CG1-CB 3.91Å; V196-V264 HydrophobicContact CG1-CG1 4.38Å; V196-V264 HydrophobicContact CG1-CG2 4.12Å; V196-V277 HydrophobicContact CB-CG1 3.95Å; V196-V277 HydrophobicContact CB-CG2 4.19Å; V196-V277 HydrophobicContact CG1-CB 4.43Å; V196-V277 HydrophobicContact CG1-CG1 3.71Å; V196-V277 HydrophobicContact CG1-CG2 3.78Å
197A98.9Very high98.8Very high0 Ų019 Ų190%09%0.091CC..Hα-helixtrans-65.6-38.9175.400000112Y40 I42 A193 R194 D195 A200 Q201 V277Y40-A197 HydrophobicContact CD1-CB 3.78Å; Y40-A197 HydrophobicContact CE1-CB 4.22Å; I42-A197 HydrophobicContact CD1-CB 4.07Å; I42-A197 HydrophobicContact CG1-CB 4.34Å; I42-A197 HydrophobicContact CG2-CB 4.43Å; A193-A197 PolarHBondContact O-N 3.36Å; R194-A197 WeakPolarHBondContact O-CA 3.28Å; R194-A197 WeakPolarHBondContact O-CB 3.46Å; R194-A197 PolarHBondContact O-N 3.14Å; R194-A197 VanDerWaalsContact O-N 3.09Å; D195-A197 VanDerWaalsContact C-N 3.25Å; D195-A197 PolarHBondContact O-N 2.79Å; A197-A200 PolarHBondContact O-N 3.15Å; A197-Q201 VanDerWaalsContact O-CB 3.24Å; A197-Q201 WeakPolarHBondContact O-CB 3.43Å; A197-Q201 PolarHBondContact O-N 2.82Å; A197-V277 HydrophobicContact CB-CG2 3.99Å
198I98.9Very high98.8Very high2 Ų219.6 Ų19.61%0.0110%0.098CC..Hα-helixtrans-60-49.6173.7-66170.3000110.5W157 I159 R194 D195 A200 Q201 H202 V396 Q397W157-I198 HydrophobicContact CB-CG2 4.06Å; I159-I198 HydrophobicContact CD1-CB 4.11Å; I159-I198 HydrophobicContact CD1-CG2 3.9Å; I159-I198 HydrophobicContact CG1-CD1 4.27Å; I159-I198 HydrophobicContact CG1-CG2 4.36Å; R194-I198 HydrophobicContact CG-CD1 4.38Å; R194-I198 WeakPolarHBondContact O-CG1 3.45Å; R194-I198 PolarHBondContact O-N 3.37Å; D195-I198 WeakPolarHBondContact O-CB 3.25Å; D195-I198 PolarHBondContact O-N 2.9Å; D195-I198 VanDerWaalsContact O-N 3.16Å; I198-A200 PolarHBondContact O-N 3.34Å; I198-Q201 WeakPolarHBondContact O-CB 3.27Å; I198-Q201 PolarHBondContact O-N 2.98Å; I198-H202 PolarHBondContact O-CD2 3.07Å; I198-H202 PolarHBondContact O-N 2.99Å; I198-V396 HydrophobicContact CD1-CG2 4.16Å; I198-V396 HydrophobicContact CG1-CG2 3.5Å; I198-V396 VanDerWaalsContact CG1-CG2 3.5Å; I198-Q397 HydrophobicContact CD1-CG 4.18Å; I198-Q397 HydrophobicContact CG1-CG 4.2Å
199V98.9Very high98.7Very high1 Ų123.2 Ų23.21%0.00612%0.115CC..Hα-helixtrans-59.6-48178.4173.20000111.3T67 I68 L154 W157 I159 M191 D195 V196 Q201 H202 L203T67-V199 WeakPolarHBondContact OG1-CG1 3.38Å; I68-V199 HydrophobicContact CG1-CG1 3.81Å; I68-V199 HydrophobicContact CG1-CG2 4.25Å; L154-V199 HydrophobicContact CD2-CG2 3.61Å; W157-V199 HydrophobicContact CE3-CG2 3.99Å; W157-V199 HydrophobicContact CZ3-CB 4.25Å; W157-V199 HydrophobicContact CZ3-CG1 4.15Å; W157-V199 HydrophobicContact CZ3-CG2 3.79Å; I159-V199 HydrophobicContact CD1-CG2 3.88Å; M191-V199 HydrophobicContact CE-CG2 3.65Å; D195-V199 WeakPolarHBondContact O-CG2 3.48Å; D195-V199 PolarHBondContact O-N 3.28Å; V196-V199 PolarHBondContact O-N 3.49Å; V199-Q201 VanDerWaalsContact C-N 3.29Å; V199-Q201 PolarHBondContact O-N 2.87Å; V199-H202 PolarHBondContact O-N 2.81Å; V199-L203 WeakPolarHBondContact O-CB 3.18Å; V199-L203 PolarHBondContact O-N 2.85Å
200A98.9Very high98.7Very high1 Ų123.2 Ų23.21%0.00812%0.115CC..Hα-helixtrans-62.9-37.5178.700000112.1V196 A197 I198 L203 I204 L251 V264 I275V196-A200 WeakPolarHBondContact O-CB 3.41Å; V196-A200 PolarHBondContact O-N 2.7Å; A197-A200 PolarHBondContact O-N 3.15Å; I198-A200 PolarHBondContact O-N 3.34Å; A200-L203 PolarHBondContact O-N 3.28Å; A200-I204 WeakPolarHBondContact O-CB 3.45Å; A200-I204 VanDerWaalsContact O-CG1 3.28Å; A200-I204 WeakPolarHBondContact O-CG1 3.4Å; A200-I204 PolarHBondContact O-N 3.38Å; A200-L251 HydrophobicContact CB-CD2 3.98Å; A200-V264 HydrophobicContact CB-CG2 3.73Å; A200-I275 HydrophobicContact CB-CD1 4.34Å; A200-I275 HydrophobicContact CB-CG2 3.89Å
201Q98.7Very high98.7Very high3 Ų321.3 Ų21.31%0.01411%0.105CC..Hα-helixtrans-63.6-48.4176.6-165.5-166.431.100111.4I42 A44 G47 A197 I198 V199 I204 K205 I275 E400I42-Q201 HydrophobicContact CD1-CB 4Å; I42-Q201 HydrophobicContact CD1-CG 4.13Å; A44-Q201 WeakPolarHBondContact O-CG 3.24Å; A44-Q201 PolarHBondContact O-NE2 3.06Å; G47-Q201 VanDerWaalsContact CA-NE2 3.29Å; A197-Q201 VanDerWaalsContact O-CB 3.24Å; A197-Q201 WeakPolarHBondContact O-CB 3.43Å; A197-Q201 PolarHBondContact O-N 2.82Å; I198-Q201 WeakPolarHBondContact O-CB 3.27Å; I198-Q201 PolarHBondContact O-N 2.98Å; V199-Q201 VanDerWaalsContact C-N 3.29Å; V199-Q201 PolarHBondContact O-N 2.87Å; Q201-I204 PolarHBondContact O-N 3.44Å; Q201-K205 HydrophobicContact CG-CD 4.11Å; Q201-K205 VanDerWaalsContact O-CB 3.29Å; Q201-K205 WeakPolarHBondContact O-CB 3.23Å; Q201-K205 WeakPolarHBondContact O-CG 3.4Å; Q201-K205 PolarHBondContact O-N 3.28Å; Q201-I275 HydrophobicContact CB-CD1 4.08Å; Q201-I275 HydrophobicContact CG-CD1 4.49Å; Q201-E400 PolarHBondContact NE2-OE1 3.04Å; Q201-E400 PolarHBondContact OE1-OE1 3.39Å
202H98.8Very high98.7Very high35 Ų3526.7 Ų26.716%0.16213%0.13CC..Hα-helixtrans-60.3-47.2175.6-87.3-75.3000111.6Y71 W157 I198 V199 I204 K205 D206 Q397Y71-H202 HydrophobicContact CD2-CB 4.48Å; Y71-H202 HydrophobicContact CE2-CB 4.06Å; W157-H202 AromaticContact CD1-CD2 3.75Å; W157-H202 AromaticContact CD1-CE1 3.56Å; W157-H202 AromaticContact CD1-ND1 3.91Å; W157-H202 AromaticContact CD1-NE2 3.48Å; W157-H202 HydrophobicContact CD2-CB 4.36Å; W157-H202 AromaticContact CD2-CD2 3.79Å; W157-H202 AromaticContact CD2-CG 3.98Å; W157-H202 AromaticContact CE2-CD2 3.86Å; W157-H202 AromaticContact CE2-CG 3.58Å; W157-H202 AromaticContact CE2-ND1 3.89Å; W157-H202 AromaticContact CG-CD2 3.72Å; W157-H202 AromaticContact CG-NE2 3.77Å; W157-H202 HydrophobicContact CH2-CB 4.1Å; W157-H202 HydrophobicContact CZ2-CB 3.72Å; W157-H202 AromaticContact CZ2-CG 3.97Å; W157-H202 AromaticContact NE1-CD2 3.84Å; W157-H202 AromaticContact NE1-CE1 3.59Å; W157-H202 AromaticContact NE1-CG 3.62Å; W157-H202 AromaticContact NE1-ND1 3.47Å; W157-H202 PolarHBondContact NE1-ND1 3.31Å; W157-H202 AromaticContact NE1-NE2 3.85Å; I198-H202 PolarHBondContact O-CD2 3.07Å; I198-H202 PolarHBondContact O-N 2.99Å; V199-H202 PolarHBondContact O-N 2.81Å; H202-I204 PolarHBondContact O-N 2.73Å; H202-K205 PolarHBondContact O-N 3.36Å; H202-D206 IonicContact ND1-OD2 2.78Å; H202-D206 VanDerWaalsContact O-CB 3.26Å; H202-D206 WeakPolarHBondContact O-CB 3.36Å; H202-D206 PolarHBondContact O-N 3.14Å; H202-Q397 PolarHBondContact NE2-NE2 3.1Å
203L98.9Very high98.7Very high1 Ų127.5 Ų27.51%0.00513%0.134CC..Hα-helixtrans-58.4-46.6179.4-177.758.6000112.5T67 A70 Y71 L74 V199 A200 F207 I210 L251T67-L203 HydrophobicContact CG2-CD2 4.4Å; A70-L203 HydrophobicContact CB-CD1 4.35Å; A70-L203 HydrophobicContact CB-CD2 4.26Å; Y71-L203 HydrophobicContact CD2-CB 4.37Å; Y71-L203 HydrophobicContact CD2-CD1 4.25Å; L74-L203 HydrophobicContact CD1-CD1 3.75Å; V199-L203 WeakPolarHBondContact O-CB 3.18Å; V199-L203 PolarHBondContact O-N 2.85Å; A200-L203 PolarHBondContact O-N 3.28Å; L203-F207 HydrophobicContact CD1-CD2 4.33Å; L203-F207 CarbonylContact O-C 3.56Å; L203-F207 WeakPolarHBondContact O-CA 3.4Å; L203-F207 PolarHBondContact O-N 3.37Å; L203-F207 VanDerWaalsContact O-N 3.08Å; L203-I210 HydrophobicContact CD1-CB 4.47Å; L203-I210 HydrophobicContact CD1-CG1 4.38Å; L203-I210 HydrophobicContact CD2-CG1 4Å; L203-I210 HydrophobicContact CG-CB 4.39Å; L203-I210 HydrophobicContact CG-CG1 4.15Å; L203-I210 HydrophobicContact CG-CG2 4.15Å; L203-L251 HydrophobicContact CD2-CD1 4.24Å; L203-L251 HydrophobicContact CD2-CD2 3.95Å
204I98.7Very high98.7Very high12 Ų1227.5 Ų27.56%0.06213%0.134CC..Hα-helixtrans-71.5-38.6-179.3-66.6172.9000111.8A200 Q201 H202 P208 I210 L211 T266 I275A200-I204 WeakPolarHBondContact O-CB 3.45Å; A200-I204 VanDerWaalsContact O-CG1 3.28Å; A200-I204 WeakPolarHBondContact O-CG1 3.4Å; A200-I204 PolarHBondContact O-N 3.38Å; Q201-I204 PolarHBondContact O-N 3.44Å; H202-I204 PolarHBondContact O-N 2.73Å; I204-P208 WeakPolarHBondContact O-CA 3.37Å; I204-I210 HydrophobicContact CG1-CG2 4.43Å; I204-L211 HydrophobicContact CD1-CD2 4.22Å; I204-L211 HydrophobicContact CG1-CD2 4.18Å; I204-L211 HydrophobicContact CG2-CD1 4.04Å; I204-T266 HydrophobicContact CD1-CG2 4.1Å; I204-I275 HydrophobicContact CD1-CD1 3.99Å; I204-I275 HydrophobicContact CD1-CG1 4.08Å
205K98.2Very high98.7Very high88 Ų8828.3 Ų28.338%0.38314%0.139SC..Hα-helixtrans-71.6-45.1-179.3-79.9-176.8168.3164.90112.7A44 D45 Q201 H202A44-K205 WeakPolarHBondContact O-CE 3.22Å; A44-K205 PolarHBondContact O-NZ 3.18Å; D45-K205 VanDerWaalsContact O-CE 3.32Å; D45-K205 WeakPolarHBondContact O-CE 3.37Å; D45-K205 PolarHBondContact O-NZ 2.83Å; Q201-K205 HydrophobicContact CG-CD 4.11Å; Q201-K205 VanDerWaalsContact O-CB 3.29Å; Q201-K205 WeakPolarHBondContact O-CB 3.23Å; Q201-K205 WeakPolarHBondContact O-CG 3.4Å; Q201-K205 PolarHBondContact O-N 3.28Å; H202-K205 PolarHBondContact O-N 3.36Å
206D98.7Very high98.7Very high58 Ų5829.9 Ų29.931%0.3115%0.147SC..Hα-helixtrans-82.1-27.7-173.2-63.2-23.3000111.8Y71 H202Y71-D206 HydrophobicContact CE2-CB 3.92Å; Y71-D206 VanDerWaalsContact CE2-OD2 3.32Å; Y71-D206 WeakPolarHBondContact CE2-OD2 3.07Å; Y71-D206 PolarHBondContact OH-OD2 2.99Å; H202-D206 IonicContact ND1-OD2 2.78Å; H202-D206 VanDerWaalsContact O-CB 3.26Å; H202-D206 WeakPolarHBondContact O-CB 3.36Å; H202-D206 PolarHBondContact O-N 3.14Å
207F98.8Very high98.6Very high4 Ų433.9 Ų33.92%0.01817%0.165CC..  trans-141.466.6-176.6-51.4-74.5000112.8Y71 L74 E75 K78 L203 E209 I210Y71-F207 HydrophobicContact CD1-CE2 4.29Å; Y71-F207 AromaticContact CD2-CD2 3.9Å; Y71-F207 HydrophobicContact CD2-CD2 3.9Å; Y71-F207 AromaticContact CD2-CE2 3.72Å; Y71-F207 HydrophobicContact CD2-CE2 3.72Å; Y71-F207 HydrophobicContact CE1-CE2 4.09Å; Y71-F207 AromaticContact CE2-CD2 3.9Å; Y71-F207 HydrophobicContact CE2-CD2 3.9Å; Y71-F207 AromaticContact CE2-CE2 3.5Å; Y71-F207 HydrophobicContact CE2-CE2 3.5Å; Y71-F207 VanDerWaalsContact CE2-CE2 3.5Å; Y71-F207 HydrophobicContact CG-CE2 4.1Å; Y71-F207 AromaticContact CZ-CE2 3.68Å; L74-F207 HydrophobicContact CB-CB 4.22Å; L74-F207 HydrophobicContact CB-CD1 3.65Å; L74-F207 HydrophobicContact CB-CD2 3.86Å; L74-F207 HydrophobicContact CB-CE1 3.87Å; L74-F207 HydrophobicContact CB-CE2 4.08Å; L74-F207 HydrophobicContact CB-CG 3.64Å; L74-F207 HydrophobicContact CB-CZ 4.11Å; L74-F207 HydrophobicContact CD1-CB 3.68Å; L74-F207 HydrophobicContact CD1-CD2 4.27Å; L74-F207 HydrophobicContact CD1-CG 3.98Å; L74-F207 HydrophobicContact CG-CB 4.42Å; L74-F207 HydrophobicContact CG-CG 4.36Å; E75-F207 VanDerWaalsContact CA-CZ 3.48Å; E75-F207 HydrophobicContact CB-CE2 4.36Å; E75-F207 HydrophobicContact CB-CZ 3.82Å; E75-F207 HydrophobicContact CG-CZ 4.39Å; K78-F207 HydrophobicContact CB-CE1 3.96Å; K78-F207 HydrophobicContact CD-CD1 4.47Å; K78-F207 HydrophobicContact CD-CE1 3.55Å; K78-F207 HydrophobicContact CD-CZ 4.15Å; K78-F207 HydrophobicContact CG-CE1 4.43Å; L203-F207 HydrophobicContact CD1-CD2 4.33Å; L203-F207 CarbonylContact O-C 3.56Å; L203-F207 WeakPolarHBondContact O-CA 3.4Å; L203-F207 PolarHBondContact O-N 3.37Å; L203-F207 VanDerWaalsContact O-N 3.08Å; F207-E209 VanDerWaalsContact CA-OE2 3.24Å; F207-E209 WeakPolarHBondContact CA-OE2 3.31Å; F207-E209 PolarHBondContact O-N 3.07Å; F207-I210 WeakPolarHBondContact O-CB 3.38Å; F207-I210 WeakPolarHBondContact O-CG2 3.39Å; F207-I210 PolarHBondContact O-N 2.94Å
208P98.3Very high98.6Very high74 Ų7439.9 Ų39.948%0.48119%0.193SC..THydrogen-bonded Turntrans-58.3-20-177.424.8-35.5000114.3I204 I210 L211I204-P208 WeakPolarHBondContact O-CA 3.37Å; P208-I210 PolarHBondContact O-N 3.33Å; P208-L211 WeakPolarHBondContact O-CB 3.43Å; P208-L211 PolarHBondContact O-N 2.84Å; P208-L211 VanDerWaalsContact O-N 3.14Å
209E97.9Very high98.6Very high87 Ų8743 Ų4341%0.40721%0.206SC..THydrogen-bonded Turntrans-58.6-21172.863.8-92.2-143.900114L74 F207 L211 E212L74-E209 HydrophobicContact CD2-CG 4.25Å; F207-E209 VanDerWaalsContact CA-OE2 3.24Å; F207-E209 WeakPolarHBondContact CA-OE2 3.31Å; F207-E209 PolarHBondContact O-N 3.07Å; E209-L211 PolarHBondContact O-N 2.99Å; E209-E212 WeakPolarHBondContact O-CB 3.33Å; E209-E212 PolarHBondContact O-N 2.7Å
210I98.8Very high98.6Very high0 Ų045.1 Ų45.10%022%0.219CC..Hα-helixtrans-55.2-33.4173.6-171.856.6000111.9A70 L74 F120 I124 L203 I204 F207 P208 E212 I213 S214 L251A70-I210 HydrophobicContact CB-CD1 4.37Å; L74-I210 HydrophobicContact CD1-CB 4.35Å; L74-I210 HydrophobicContact CD1-CD1 4.42Å; F120-I210 HydrophobicContact CE1-CD1 3.79Å; F120-I210 HydrophobicContact CZ-CD1 3.78Å; I124-I210 HydrophobicContact CD1-CD1 4.05Å; I124-I210 HydrophobicContact CG1-CD1 4.1Å; L203-I210 HydrophobicContact CD1-CB 4.47Å; L203-I210 HydrophobicContact CD1-CG1 4.38Å; L203-I210 HydrophobicContact CD2-CG1 4Å; L203-I210 HydrophobicContact CG-CB 4.39Å; L203-I210 HydrophobicContact CG-CG1 4.15Å; L203-I210 HydrophobicContact CG-CG2 4.15Å; I204-I210 HydrophobicContact CG1-CG2 4.43Å; F207-I210 WeakPolarHBondContact O-CB 3.38Å; F207-I210 WeakPolarHBondContact O-CG2 3.39Å; F207-I210 PolarHBondContact O-N 2.94Å; P208-I210 PolarHBondContact O-N 3.33Å; I210-E212 VanDerWaalsContact C-N 3.28Å; I210-E212 PolarHBondContact O-N 2.81Å; I210-I213 PolarHBondContact O-N 2.65Å; I210-S214 PolarHBondContact O-N 3.16Å; I210-S214 PolarHBondContact O-OG 2.88Å; I210-L251 HydrophobicContact CG1-CD1 3.8Å
211L98.7Very high98.5Very high12 Ų1245.2 Ų45.26%0.06322%0.219CC..Hα-helixtrans-68.6-28.5-178.7-62.6173.4000112.1I204 P208 E209 I213 S214 K215 T266 R273I204-L211 HydrophobicContact CD1-CD2 4.22Å; I204-L211 HydrophobicContact CG1-CD2 4.18Å; I204-L211 HydrophobicContact CG2-CD1 4.04Å; P208-L211 WeakPolarHBondContact O-CB 3.43Å; P208-L211 PolarHBondContact O-N 2.84Å; P208-L211 VanDerWaalsContact O-N 3.14Å; E209-L211 PolarHBondContact O-N 2.99Å; L211-I213 PolarHBondContact O-N 3.22Å; L211-S214 WeakPolarHBondContact CA-OG 3.44Å; L211-K215 WeakPolarHBondContact O-CB 3.5Å; L211-K215 VanDerWaalsContact O-CD 3.29Å; L211-K215 WeakPolarHBondContact O-CD 3.25Å; L211-K215 WeakPolarHBondContact O-CG 3.36Å; L211-K215 PolarHBondContact O-N 3.45Å; L211-T266 HydrophobicContact CD2-CG2 3.78Å; L211-R273 VanDerWaalsContact CD1-CZ 3.47Å
212E98.5Very high98.3Very high115 Ų11545.3 Ų45.354%0.53722%0.221SC..Hα-helixtrans-69-25.2173.2-62.3-57.2122.100112E209 I210 K215 I216E209-E212 WeakPolarHBondContact O-CB 3.33Å; E209-E212 PolarHBondContact O-N 2.7Å; I210-E212 VanDerWaalsContact C-N 3.28Å; I210-E212 PolarHBondContact O-N 2.81Å; E212-K215 IonicContact OE1-NZ 3.46Å; E212-K215 PolarHBondContact OE1-NZ 2.65Å; E212-K215 WeakPolarHBondContact OE2-CE 3.15Å; E212-K215 IonicContact OE2-NZ 3.8Å; E212-K215 PolarHBondContact OE2-NZ 2.85Å; E212-I216 WeakPolarHBondContact O-CG1 3.16Å
213I98.7Very high98.1Very high17 Ų1747.3 Ų47.39%0.08724%0.237CC..Hα-helixtrans-91.1-46.1179.6-59.5171.9000110.4W84 F120 E121 I124 I210 L211 K215 I216W84-I213 HydrophobicContact CH2-CD1 4.36Å; F120-I213 HydrophobicContact CD1-CD1 3.69Å; F120-I213 HydrophobicContact CD1-CG2 4.39Å; F120-I213 HydrophobicContact CE1-CD1 3.52Å; F120-I213 HydrophobicContact CE1-CG2 4.37Å; E121-I213 HydrophobicContact CB-CG2 4.49Å; E121-I213 HydrophobicContact CG-CG2 4.13Å; I124-I213 HydrophobicContact CB-CG2 3.85Å; I124-I213 HydrophobicContact CG1-CG2 4.17Å; I124-I213 HydrophobicContact CG2-CG2 3.89Å; I210-I213 PolarHBondContact O-N 2.65Å; L211-I213 PolarHBondContact O-N 3.22Å; I213-K215 PolarHBondContact O-N 3.24Å; I213-I216 HydrophobicContact CG2-CD1 4.37Å; I213-I216 WeakPolarHBondContact O-CB 3.34Å; I213-I216 WeakPolarHBondContact O-CG1 3.22Å; I213-I216 PolarHBondContact O-N 3.36Å; I213-I216 VanDerWaalsContact O-N 3.11Å
214S98.7Very high97.8Very high1 Ų154.9 Ų54.91%0.00728%0.278CS..Hα-helixtrans-67-17.4-17961.10000114I210 L211 N233 D249I210-S214 PolarHBondContact O-N 3.16Å; I210-S214 PolarHBondContact O-OG 2.88Å; L211-S214 WeakPolarHBondContact CA-OG 3.44Å; S214-N233 PolarHBondContact O-ND2 2.78Å; S214-D249 CarbonylContact C-O 3.52Å; S214-D249 PolarHBondContact OG-O 2.81Å
215K98.3Very high97.5Very high81 Ų8155.1 Ų55.135%0.35228%0.28SS..THydrogen-bonded Turntrans-93.7-2.9174.581.6-171.7-175.2-169.80114.8L211 E212 I213 K217 L238 D249L211-K215 WeakPolarHBondContact O-CB 3.5Å; L211-K215 VanDerWaalsContact O-CD 3.29Å; L211-K215 WeakPolarHBondContact O-CD 3.25Å; L211-K215 WeakPolarHBondContact O-CG 3.36Å; L211-K215 PolarHBondContact O-N 3.45Å; E212-K215 IonicContact OE1-NZ 3.46Å; E212-K215 PolarHBondContact OE1-NZ 2.65Å; E212-K215 WeakPolarHBondContact OE2-CE 3.15Å; E212-K215 IonicContact OE2-NZ 3.8Å; E212-K215 PolarHBondContact OE2-NZ 2.85Å; I213-K215 PolarHBondContact O-N 3.24Å; K215-K217 PolarHBondContact O-N 2.7Å; K215-K217 VanDerWaalsContact O-N 3.16Å; K215-L238 HydrophobicContact CB-CD2 4.27Å; K215-D249 HydrophobicContact CB-CB 4.05Å; K215-D249 HydrophobicContact CD-CB 4.39Å; K215-D249 PolarHBondContact N-O 3.4Å
216I98.6Very high97.2Very high35 Ų3554.1 Ų54.118%0.17928%0.284CS..  trans-61.8118.3174.2-66.1172.6000107.5V125 E212 I213 E218 K219 N233V125-I216 HydrophobicContact CG2-CB 3.86Å; V125-I216 HydrophobicContact CG2-CD1 4.41Å; V125-I216 HydrophobicContact CG2-CG2 4.06Å; E212-I216 WeakPolarHBondContact O-CG1 3.16Å; I213-I216 HydrophobicContact CG2-CD1 4.37Å; I213-I216 WeakPolarHBondContact O-CB 3.34Å; I213-I216 WeakPolarHBondContact O-CG1 3.22Å; I213-I216 PolarHBondContact O-N 3.36Å; I213-I216 VanDerWaalsContact O-N 3.11Å; I216-E218 WeakPolarHBondContact CG2-O 3.14Å; I216-K219 HydrophobicContact CD1-CD 4.28Å; I216-K219 HydrophobicContact CG2-CB 3.79Å; I216-K219 HydrophobicContact CG2-CD 4.44Å; I216-N233 VanDerWaalsContact O-CB 3.23Å; I216-N233 WeakPolarHBondContact O-CB 3.31Å; I216-N233 PolarHBondContact O-ND2 3.38Å
217K98.3Very high96.8Very high84 Ų8456 Ų5637%0.36529%0.291SS..  trans-73.2-50.7178.1-61.6-167.7-164.5-163.30111.3K215 N233 L238 F239K215-K217 PolarHBondContact O-N 2.7Å; K215-K217 VanDerWaalsContact O-N 3.16Å; K217-N233 WeakPolarHBondContact O-CB 3.25Å; K217-N233 PolarHBondContact O-N 3.05Å; K217-L238 WeakPolarHBondContact CE-O 3.45Å; K217-L238 HydrophobicContact CG-CB 4.15Å; K217-L238 PolarHBondContact NZ-O 3.21Å; K217-F239 HydrophobicContact CB-CD1 4.39Å; K217-F239 HydrophobicContact CB-CE1 3.75Å; K217-F239 HydrophobicContact CB-CE2 4.38Å; K217-F239 HydrophobicContact CB-CZ 3.77Å; K217-F239 HydrophobicContact CD-CD1 4.17Å; K217-F239 HydrophobicContact CD-CE1 4.36Å; K217-F239 HydrophobicContact CD-CG 4.49Å; K217-F239 HydrophobicContact CG-CE1 4.43Å; K217-F239 HydrophobicContact CG-CZ 4.49Å; K217-F239 VanDerWaalsContact O-CZ 3.27Å; K217-F239 WeakPolarHBondContact O-CZ 3.12Å
218E98.4Very high96.6Very high127 Ų12759 Ų5959%0.59331%0.312SS*.EExtended strand (participates in β ladder)trans-141.2143.1-174.8-62.7172.5-174.100109.3I216 M231 E232 F239I216-E218 WeakPolarHBondContact CG2-O 3.14Å; E218-M231 VanDerWaalsContact CA-O 3.27Å; E218-M231 WeakPolarHBondContact CA-O 3.44Å; E218-E232 HydrophobicContact CG-CG 4.31Å; E218-F239 HydrophobicContact CG-CE1 4.1Å; E218-F239 HydrophobicContact CG-CZ 4.43Å
219K98.3Very high96.6Very high66 Ų6657.1 Ų57.129%0.28730%0.298SS..EExtended strand (participates in β ladder)trans-162.5137.9174.5-175.2165.9-173.1169.80111.7E121 I216 F221 M231E121-K219 IonicContact OE1-NZ 3.56Å; E121-K219 PolarHBondContact OE1-NZ 3.4Å; E121-K219 WeakPolarHBondContact OE2-CE 3.44Å; E121-K219 IonicContact OE2-NZ 3.34Å; E121-K219 PolarHBondContact OE2-NZ 3.05Å; I216-K219 HydrophobicContact CD1-CD 4.28Å; I216-K219 HydrophobicContact CG2-CB 3.79Å; I216-K219 HydrophobicContact CG2-CD 4.44Å; K219-F221 PolarHBondContact O-N 3.26Å; K219-M231 HydrophobicContact CB-CE 4.05Å; K219-M231 HydrophobicContact CG-CE 4.27Å; K219-M231 PolarHBondContact N-O 3.05Å; K219-M231 WeakPolarHBondContact O-CB 3.36Å; K219-M231 WeakPolarHBondContact O-CE 3.15Å; K219-M231 WeakPolarHBondContact O-CG 3.43Å; K219-M231 PolarHBondContact O-N 3.42Å
220T98.4Very high96.6Very high46 Ų4659.3 Ų59.328%0.28231%0.309SS..EExtended strand (participates in β ladder)trans-73.8120169.5-40.20000110.6P223 P228 T229 E230T220-P223 HydrophobicContact CG2-CB 4.17Å; T220-P228 HydrophobicContact CG2-CB 4.03Å; T220-T229 CarbonylContact C-O 3.58Å; T220-T229 WeakPolarHBondContact CA-O 3.35Å; T220-E230 WeakPolarHBondContact CA-OE2 3.2Å; T220-E230 WeakPolarHBondContact CB-OE2 3.41Å; T220-E230 VanDerWaalsContact CG2-OE1 3.3Å; T220-E230 WeakPolarHBondContact CG2-OE1 3.39Å; T220-E230 VanDerWaalsContact OG1-CD 3.24Å; T220-E230 PolarHBondContact OG1-OE1 3.17Å; T220-E230 PolarHBondContact OG1-OE2 2.82Å
221F98.3Very high96.6Very high3 Ų359.4 Ų59.41%0.01331%0.309CS..EExtended strand (participates in β ladder)trans-70131.8169.1173.3-109000110.8V106 L108 Y114 D118 L119 A122 K219 P228 T229 M231V106-F221 HydrophobicContact CB-CB 4.41Å; V106-F221 HydrophobicContact CB-CD1 3.58Å; V106-F221 HydrophobicContact CB-CE1 3.89Å; V106-F221 HydrophobicContact CB-CG 3.93Å; V106-F221 HydrophobicContact CB-CZ 4.49Å; V106-F221 HydrophobicContact CG1-CB 3.94Å; V106-F221 HydrophobicContact CG1-CD1 4.07Å; V106-F221 HydrophobicContact CG1-CG 3.92Å; V106-F221 HydrophobicContact CG2-CD1 3.6Å; V106-F221 HydrophobicContact CG2-CD2 3.99Å; V106-F221 HydrophobicContact CG2-CE1 3.46Å; V106-F221 VanDerWaalsContact CG2-CE1 3.46Å; V106-F221 HydrophobicContact CG2-CE2 3.86Å; V106-F221 HydrophobicContact CG2-CG 3.86Å; V106-F221 HydrophobicContact CG2-CZ 3.6Å; L108-F221 HydrophobicContact CD2-CE1 3.97Å; L108-F221 HydrophobicContact CD2-CZ 3.58Å; Y114-F221 AromaticContact CD1-CE1 3.89Å; Y114-F221 HydrophobicContact CD1-CE1 3.89Å; Y114-F221 HydrophobicContact CD1-CE2 4.37Å; Y114-F221 AromaticContact CD1-CZ 3.49Å; Y114-F221 HydrophobicContact CD1-CZ 3.49Å; Y114-F221 VanDerWaalsContact CD1-CZ 3.49Å; Y114-F221 AromaticContact CE1-CE1 3.51Å; Y114-F221 HydrophobicContact CE1-CE1 3.51Å; Y114-F221 AromaticContact CE1-CZ 3.61Å; Y114-F221 HydrophobicContact CE1-CZ 3.61Å; Y114-F221 HydrophobicContact CG-CZ 4.27Å; D118-F221 HydrophobicContact CB-CD2 4.21Å; D118-F221 HydrophobicContact CB-CE2 3.75Å; D118-F221 WeakPolarHBondContact O-CE2 3.35Å; L119-F221 HydrophobicContact CD2-CE2 4.18Å; L119-F221 HydrophobicContact CD2-CZ 4.1Å; A122-F221 HydrophobicContact CB-CD2 3.65Å; A122-F221 HydrophobicContact CB-CE2 3.96Å; A122-F221 HydrophobicContact CB-CG 4.44Å; K219-F221 PolarHBondContact O-N 3.26Å; F221-P228 WeakPolarHBondContact O-CA 3.41Å; F221-T229 WeakPolarHBondContact CB-O 3.21Å; F221-T229 PolarHBondContact N-O 3.29Å; F221-T229 PolarHBondContact O-N 3.01Å; F221-M231 HydrophobicContact CB-CE 3.97Å; F221-M231 HydrophobicContact CB-CG 4.03Å; F221-M231 HydrophobicContact CB-SD 3.75Å
222A94.6Very high96.5Very high6 Ų664.6 Ų64.65%0.0533%0.333CS..SBendtrans43.559.8171.800000113.6Y114 N224 S225Y114-A222 HydrophobicContact CD1-CB 3.66Å; Y114-A222 HydrophobicContact CE1-CB 3.69Å; A222-N224 PolarHBondContact O-N 2.92Å; A222-S225 WeakPolarHBondContact O-CB 3.47Å; A222-S225 PolarHBondContact O-N 2.96Å; A222-S225 PolarHBondContact O-OG 2.78Å
223P94.2Very high96.5Very high76 Ų7659.9 Ų59.949%0.49431%0.311SS..THydrogen-bonded Turntrans-61.7-20.3-169.924.6-35.8000114.5T220T220-P223 HydrophobicContact CG2-CB 4.17Å
224N91.8Very high96.5Very high161 Ų16164.7 Ų64.786%0.86133%0.329SS*.THydrogen-bonded Turntrans-99.47.8177.3-59-48.5000113A222A222-N224 PolarHBondContact O-N 2.92Å
225S92.2Very high96.4Very high17 Ų1764.7 Ų64.712%0.11933%0.329CS..SBendtrans-84.5172.3177.475.50000112.1A222 Q227A222-S225 WeakPolarHBondContact O-CB 3.47Å; A222-S225 PolarHBondContact O-N 2.96Å; A222-S225 PolarHBondContact O-OG 2.78Å; S225-Q227 PolarHBondContact O-N 2.94Å; S225-Q227 PolarHBondContact OG-N 2.87Å
226S92.2Very high96.4Very high67 Ų6763 Ų6347%0.46933%0.325SS..SBendtrans-68.6-17.2171.8540000114Q112Q112-S226 PolarHBondContact OE1-OG 3.36Å
227Q91.2Very high96.4Very high96 Ų9661.4 Ų61.445%0.44932%0.317SS..SBendtrans-13965-175.7-62.9-61.9-41.700111.2T107 V109 S225 T229T107-Q227 HydrophobicContact CG2-CB 4.42Å; T107-Q227 HydrophobicContact CG2-CG 4.33Å; V109-Q227 HydrophobicContact CG2-CG 3.95Å; S225-Q227 PolarHBondContact O-N 2.94Å; S225-Q227 PolarHBondContact OG-N 2.87Å; Q227-T229 PolarHBondContact O-N 2.99Å
228P95.1Very high96.4Very high69 Ų6957.9 Ų57.945%0.44830%0.302SS..  trans-62.9138.5174.329.5-34.9000110T220 F221T220-P228 HydrophobicContact CG2-CB 4.03Å; F221-P228 WeakPolarHBondContact O-CA 3.41Å
229T97.1Very high96.4Very high33 Ų3354 Ų5420%0.20228%0.283CS..EExtended strand (participates in β ladder)trans-125.1125.8-179.2-56.70000109.5V106 T220 F221 Q227 M231V106-T229 HydrophobicContact CB-CG2 4.38Å; V106-T229 HydrophobicContact CG1-CG2 3.98Å; T220-T229 CarbonylContact C-O 3.58Å; T220-T229 WeakPolarHBondContact CA-O 3.35Å; F221-T229 WeakPolarHBondContact CB-O 3.21Å; F221-T229 PolarHBondContact N-O 3.29Å; F221-T229 PolarHBondContact O-N 3.01Å; Q227-T229 PolarHBondContact O-N 2.99Å; T229-M231 PolarHBondContact O-N 2.89Å
230E98Very high96.3Very high133 Ų13357.4 Ų57.462%0.62131%0.305SS*.EExtended strand (participates in β ladder)trans-72.3124.5170.4-60.1-53.915100109.5T220T220-E230 WeakPolarHBondContact CA-OE2 3.2Å; T220-E230 WeakPolarHBondContact CB-OE2 3.41Å; T220-E230 VanDerWaalsContact CG2-OE1 3.3Å; T220-E230 WeakPolarHBondContact CG2-OE1 3.39Å; T220-E230 VanDerWaalsContact OG1-CD 3.24Å; T220-E230 PolarHBondContact OG1-OE1 3.17Å; T220-E230 PolarHBondContact OG1-OE2 2.82Å
231M98.3Very high96.2Very high2 Ų257.3 Ų57.31%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-107.1142179.3-54.1-176.5-67.600110.4V106 A122 V125 Q126 E218 K219 F221 T229V106-M231 HydrophobicContact CG1-CG 3.91Å; V106-M231 HydrophobicContact CG1-SD 3.81Å; A122-M231 WeakPolarHBondContact CA-SD 3.37Å; A122-M231 HydrophobicContact CB-CE 4.4Å; A122-M231 HydrophobicContact CB-SD 3.52Å; A122-M231 VanDerWaalsContact CB-SD 3.52Å; V125-M231 HydrophobicContact CG1-CB 4.05Å; Q126-M231 HydrophobicContact CB-CB 3.97Å; Q126-M231 HydrophobicContact CB-CG 3.81Å; Q126-M231 HydrophobicContact CB-SD 3.72Å; Q126-M231 HydrophobicContact CG-CB 4.45Å; Q126-M231 HydrophobicContact CG-CG 4.21Å; Q126-M231 VanDerWaalsContact OE1-CA 3.31Å; E218-M231 VanDerWaalsContact CA-O 3.27Å; E218-M231 WeakPolarHBondContact CA-O 3.44Å; K219-M231 HydrophobicContact CB-CE 4.05Å; K219-M231 HydrophobicContact CG-CE 4.27Å; K219-M231 PolarHBondContact N-O 3.05Å; K219-M231 WeakPolarHBondContact O-CB 3.36Å; K219-M231 WeakPolarHBondContact O-CE 3.15Å; K219-M231 WeakPolarHBondContact O-CG 3.43Å; K219-M231 PolarHBondContact O-N 3.42Å; F221-M231 HydrophobicContact CB-CE 3.97Å; F221-M231 HydrophobicContact CB-CG 4.03Å; F221-M231 HydrophobicContact CB-SD 3.75Å; T229-M231 PolarHBondContact O-N 2.89Å
232E98Very high96.1Very high122 Ų12263.6 Ų63.657%0.5735%0.354SS*.EExtended strand (participates in β ladder)trans-122.4140.8171.3-63.8-175.7-17200109.1Q126 E218 W234Q126-E232 VanDerWaalsContact OE1-N 3.1Å; Q126-E232 PolarHBondContact OE1-O 3.48Å; E218-E232 HydrophobicContact CG-CG 4.31Å; E232-W234 PolarHBondContact O-N 2.86Å
233N98.5Very high96.2Very high15 Ų1564.6 Ų64.68%0.0836%0.358CS..  trans-74128179.7-160.9-44.2000110.7V125 S214 I216 K217 N235 L238 F239V125-N233 HydrophobicContact CG1-CB 4.18Å; S214-N233 PolarHBondContact O-ND2 2.78Å; I216-N233 VanDerWaalsContact O-CB 3.23Å; I216-N233 WeakPolarHBondContact O-CB 3.31Å; I216-N233 PolarHBondContact O-ND2 3.38Å; K217-N233 WeakPolarHBondContact O-CB 3.25Å; K217-N233 PolarHBondContact O-N 3.05Å; N233-N235 PolarHBondContact O-N 2.9Å; N233-N235 VanDerWaalsContact OD1-CB 3.26Å; N233-N235 WeakPolarHBondContact OD1-CB 3.41Å; N233-N235 PolarHBondContact OD1-N 3.5Å; N233-L238 HydrophobicContact CB-CD1 4.16Å; N233-L238 WeakPolarHBondContact ND2-CD1 3.43Å; N233-F239 HydrophobicContact CB-CE2 4.13Å; N233-F239 HydrophobicContact CB-CZ 4.42Å; N233-F239 WeakPolarHBondContact O-CE2 3.26Å
234W97.5Very high96.4Very high118 Ų11866.1 Ų66.145%0.44736%0.355SS..SBendtrans-64.8-18.7174.9-69.3101.6000113.6Q126 E232 V236 T253 Y292Q126-W234 PolarHBondContact O-NE1 2.96Å; E232-W234 PolarHBondContact O-N 2.86Å; W234-V236 VanDerWaalsContact C-N 3.34Å; W234-V236 PolarHBondContact O-N 2.99Å; W234-T253 HydrophobicContact CB-CG2 4.1Å; W234-T253 VanDerWaalsContact CB-OG1 3.32Å; W234-T253 WeakPolarHBondContact CB-OG1 3.39Å; W234-Y292 PolarHBondContact O-OH 2.94Å
235N98.2Very high96.7Very high2 Ų259.8 Ų59.81%0.01132%0.32CS..  trans-74.685.5172.8-175.78000111N233 M237 L238 G250 F263N233-N235 PolarHBondContact O-N 2.9Å; N233-N235 VanDerWaalsContact OD1-CB 3.26Å; N233-N235 WeakPolarHBondContact OD1-CB 3.41Å; N233-N235 PolarHBondContact OD1-N 3.5Å; N235-M237 PolarHBondContact O-N 3.37Å; N235-M237 VanDerWaalsContact O-N 3.08Å; N235-M237 WeakPolarHBondContact OD1-CB 3.24Å; N235-M237 PolarHBondContact OD1-N 3.47Å; N235-L238 HydrophobicContact CB-CD1 3.98Å; N235-L238 HydrophobicContact CB-CG 4.17Å; N235-L238 WeakPolarHBondContact O-CB 3.35Å; N235-L238 WeakPolarHBondContact O-CG 3.44Å; N235-L238 PolarHBondContact O-N 3.23Å; N235-L238 VanDerWaalsContact O-N 3.13Å; N235-G250 PolarHBondContact ND2-O 2.89Å; N235-F263 HydrophobicContact CB-CE2 4.4Å; N235-F263 HydrophobicContact CB-CZ 4.43Å; N235-F263 WeakPolarHBondContact OD1-CZ 3.18Å
236V97.7Very high97Very high46 Ų4665.3 Ų65.328%0.27934%0.344SS..G310 helixtrans-62.3-17.3-179.9-51.50000113.3W234 L238 F239 N243 Y292W234-V236 VanDerWaalsContact C-N 3.34Å; W234-V236 PolarHBondContact O-N 2.99Å; V236-L238 PolarHBondContact O-N 2.88Å; V236-L238 VanDerWaalsContact O-N 3.17Å; V236-F239 PolarHBondContact O-N 2.98Å; V236-F239 VanDerWaalsContact O-N 3.08Å; V236-N243 HydrophobicContact CG2-CB 3.94Å; V236-Y292 HydrophobicContact CB-CE2 4.29Å; V236-Y292 HydrophobicContact CG1-CE2 4.09Å; V236-Y292 HydrophobicContact CG2-CD1 4.07Å; V236-Y292 HydrophobicContact CG2-CD2 3.21Å; V236-Y292 HydrophobicContact CG2-CE1 4.11Å; V236-Y292 HydrophobicContact CG2-CE2 3.26Å; V236-Y292 HydrophobicContact CG2-CG 3.65Å
237M98.6Very high97.3Very high0 Ų063.6 Ų63.60%034%0.337CS..G310 helixtrans-67.4-12.6177.4-54.2-177.474.800113N235 N243 Y244 K245 V248 F263 Y292 T295 M299N235-M237 PolarHBondContact O-N 3.37Å; N235-M237 VanDerWaalsContact O-N 3.08Å; N235-M237 WeakPolarHBondContact OD1-CB 3.24Å; N235-M237 PolarHBondContact OD1-N 3.47Å; M237-N243 WeakPolarHBondContact CA-O 3.49Å; M237-N243 WeakPolarHBondContact CB-O 3.39Å; M237-N243 WeakPolarHBondContact CG-O 3.41Å; M237-Y244 WeakPolarHBondContact O-CA 3.37Å; M237-Y244 WeakPolarHBondContact O-CD2 3.42Å; M237-K245 HydrophobicContact CE-CB 3.69Å; M237-K245 HydrophobicContact CE-CD 3.8Å; M237-K245 HydrophobicContact CE-CG 4.4Å; M237-K245 PolarHBondContact O-N 3.48Å; M237-V248 HydrophobicContact CB-CB 4.46Å; M237-V248 HydrophobicContact CB-CG1 4.06Å; M237-V248 HydrophobicContact CE-CG2 4.23Å; M237-F263 HydrophobicContact SD-CD1 4.45Å; M237-F263 HydrophobicContact SD-CE1 3.72Å; M237-Y292 HydrophobicContact CG-CD1 3.71Å; M237-Y292 HydrophobicContact CG-CG 4.06Å; M237-Y292 HydrophobicContact SD-CD1 4Å; M237-T295 HydrophobicContact CE-CG2 4.44Å; M237-T295 HydrophobicContact SD-CG2 4.04Å; M237-M299 HydrophobicContact CE-SD 4.34Å
238L98.6Very high97.6Very high11 Ų1159.7 Ų59.76%0.05832%0.319CS..G310 helixtrans-78.7-24.9172.8-60.7172.5000112.7K215 K217 N233 N235 V236 V248K215-L238 HydrophobicContact CB-CD2 4.27Å; K217-L238 WeakPolarHBondContact CE-O 3.45Å; K217-L238 HydrophobicContact CG-CB 4.15Å; K217-L238 PolarHBondContact NZ-O 3.21Å; N233-L238 HydrophobicContact CB-CD1 4.16Å; N233-L238 WeakPolarHBondContact ND2-CD1 3.43Å; N235-L238 HydrophobicContact CB-CD1 3.98Å; N235-L238 HydrophobicContact CB-CG 4.17Å; N235-L238 WeakPolarHBondContact O-CB 3.35Å; N235-L238 WeakPolarHBondContact O-CG 3.44Å; N235-L238 PolarHBondContact O-N 3.23Å; N235-L238 VanDerWaalsContact O-N 3.13Å; V236-L238 PolarHBondContact O-N 2.88Å; V236-L238 VanDerWaalsContact O-N 3.17Å; L238-V248 HydrophobicContact CD2-CG1 4.33Å; L238-V248 WeakPolarHBondContact CD2-O 3.34Å
239F98.1Very high97.8Very high45 Ų4557.5 Ų57.520%0.19730%0.304CS..SBendtrans-92.4149.3-173.3-64.5-99.5000110.8K217 E218 N233 V236 G241 Y244K217-F239 HydrophobicContact CB-CD1 4.39Å; K217-F239 HydrophobicContact CB-CE1 3.75Å; K217-F239 HydrophobicContact CB-CE2 4.38Å; K217-F239 HydrophobicContact CB-CZ 3.77Å; K217-F239 HydrophobicContact CD-CD1 4.17Å; K217-F239 HydrophobicContact CD-CE1 4.36Å; K217-F239 HydrophobicContact CD-CG 4.49Å; K217-F239 HydrophobicContact CG-CE1 4.43Å; K217-F239 HydrophobicContact CG-CZ 4.49Å; K217-F239 VanDerWaalsContact O-CZ 3.27Å; K217-F239 WeakPolarHBondContact O-CZ 3.12Å; E218-F239 HydrophobicContact CG-CE1 4.1Å; E218-F239 HydrophobicContact CG-CZ 4.43Å; N233-F239 HydrophobicContact CB-CE2 4.13Å; N233-F239 HydrophobicContact CB-CZ 4.42Å; N233-F239 WeakPolarHBondContact O-CE2 3.26Å; V236-F239 PolarHBondContact O-N 2.98Å; V236-F239 VanDerWaalsContact O-N 3.08Å; F239-G241 PolarHBondContact O-N 2.87Å; F239-Y244 VanDerWaalsContact O-CB 3.25Å; F239-Y244 WeakPolarHBondContact O-CB 3.29Å
240D96.7Very high97.8Very high138 Ų13856 Ų5674%0.73829%0.294SS*.SBendtrans-61.6127.8173.1-63-23.9000108.8
241G96.1Very high97.9Very high44 Ų4450 Ų5045%0.45427%0.267SS..SBendtrans160.6-175.3-173.700000112.9F239 N243 Y244F239-G241 PolarHBondContact O-N 2.87Å; G241-N243 PolarHBondContact O-N 3.4Å; G241-Y244 VanDerWaalsContact O-CB 3.3Å; G241-Y244 WeakPolarHBondContact O-CB 3.14Å; G241-Y244 PolarHBondContact O-N 3.12Å; G241-Y244 VanDerWaalsContact O-N 3.16Å
242P95.4Very high97.9Very high134 Ų13450.2 Ų50.287%0.8727%0.267SS*.THydrogen-bonded Turntrans-64.8-25.9-176.525.8-34.4000113.6
243N97.6Very high97.9Very high27 Ų2744.9 Ų44.914%0.14424%0.243CC..THydrogen-bonded Turntrans-96.7-1.8178.8-62-57.5000113.4V236 M237 G241 K245 N289V236-N243 HydrophobicContact CG2-CB 3.94Å; M237-N243 WeakPolarHBondContact CA-O 3.49Å; M237-N243 WeakPolarHBondContact CB-O 3.39Å; M237-N243 WeakPolarHBondContact CG-O 3.41Å; G241-N243 PolarHBondContact O-N 3.4Å; N243-K245 PolarHBondContact O-N 3.33Å; N243-N289 WeakPolarHBondContact ND2-CB 3.38Å; N243-N289 PolarHBondContact ND2-OD1 3.14Å
244Y98.4Very high97.9Very high109 Ų10944.2 Ų44.243%0.42724%0.24SC..  trans-54.9132177.7176.7-113.7000110M237 F239 G241 E246M237-Y244 WeakPolarHBondContact O-CA 3.37Å; M237-Y244 WeakPolarHBondContact O-CD2 3.42Å; F239-Y244 VanDerWaalsContact O-CB 3.25Å; F239-Y244 WeakPolarHBondContact O-CB 3.29Å; G241-Y244 VanDerWaalsContact O-CB 3.3Å; G241-Y244 WeakPolarHBondContact O-CB 3.14Å; G241-Y244 PolarHBondContact O-N 3.12Å; G241-Y244 VanDerWaalsContact O-N 3.16Å; Y244-E246 HydrophobicContact CE1-CB 4.14Å
245K98.1Very high97.9Very high27 Ų2741.9 Ų41.912%0.11724%0.239CC..  trans-136.7110.8173.3-161.3173.3-165.977.10110.6M237 N243 G247 V248 I267 S296 M299 D300M237-K245 HydrophobicContact CE-CB 3.69Å; M237-K245 HydrophobicContact CE-CD 3.8Å; M237-K245 HydrophobicContact CE-CG 4.4Å; M237-K245 PolarHBondContact O-N 3.48Å; N243-K245 PolarHBondContact O-N 3.33Å; K245-G247 PolarHBondContact O-N 3.47Å; K245-V248 HydrophobicContact CB-CG2 3.78Å; K245-V248 HydrophobicContact CD-CG2 4.38Å; K245-V248 HydrophobicContact CG-CG2 4.25Å; K245-V248 WeakPolarHBondContact O-CB 3.45Å; K245-V248 WeakPolarHBondContact O-CG2 3.43Å; K245-V248 PolarHBondContact O-N 2.94Å; K245-I267 HydrophobicContact CD-CD1 4.08Å; K245-I267 HydrophobicContact CG-CD1 4.09Å; K245-S296 PolarHBondContact NZ-OG 3Å; K245-M299 HydrophobicContact CD-CB 4.33Å; K245-M299 HydrophobicContact CD-SD 3.81Å; K245-D300 VanDerWaalsContact CE-OD1 3.28Å; K245-D300 WeakPolarHBondContact CE-OD1 3.45Å; K245-D300 IonicContact NZ-OD1 2.75Å; K245-D300 PolarHBondContact NZ-OD1 3.35Å; K245-D300 IonicContact NZ-OD2 2.98Å; K245-D300 PolarHBondContact NZ-OD2 3.48Å
246E97.6Very high97.9Very high134 Ų13443 Ų4363%0.62625%0.246SC*.THydrogen-bonded Turntrans-54.6130.9178.3-175.3-177-161.600111.1Y244 I267Y244-E246 HydrophobicContact CE1-CB 4.14Å; E246-I267 WeakPolarHBondContact O-CD1 3.32Å
247G98Very high97.8Very high31 Ų3149 Ų4932%0.3228%0.277SS..THydrogen-bonded Turntrans91.6-8.6-17800000114.4K245 I267 Q268K245-G247 PolarHBondContact O-N 3.47Å; G247-I267 WeakPolarHBondContact O-CA 3.2Å; G247-Q268 PolarHBondContact O-N 3.01Å
248V98.7Very high97.6Very high14 Ų1453.8 Ų53.89%0.08530%0.301CS..EExtended strand (participates in β ladder)trans-70.8129.5170172.70000109.8M237 L238 K245 T266 I267 M299M237-V248 HydrophobicContact CB-CB 4.46Å; M237-V248 HydrophobicContact CB-CG1 4.06Å; M237-V248 HydrophobicContact CE-CG2 4.23Å; L238-V248 HydrophobicContact CD2-CG1 4.33Å; L238-V248 WeakPolarHBondContact CD2-O 3.34Å; K245-V248 HydrophobicContact CB-CG2 3.78Å; K245-V248 HydrophobicContact CD-CG2 4.38Å; K245-V248 HydrophobicContact CG-CG2 4.25Å; K245-V248 WeakPolarHBondContact O-CB 3.45Å; K245-V248 WeakPolarHBondContact O-CG2 3.43Å; K245-V248 PolarHBondContact O-N 2.94Å; V248-T266 WeakPolarHBondContact CA-O 3.35Å; V248-I267 HydrophobicContact CG2-CB 4.18Å; V248-I267 HydrophobicContact CG2-CD1 4.21Å; V248-I267 HydrophobicContact CG2-CG1 4.39Å; V248-M299 HydrophobicContact CG2-CE 4.01Å; V248-M299 HydrophobicContact CG2-SD 3.83Å
249D98.5Very high97.6Very high23 Ų2353.3 Ų53.312%0.12330%0.299CS..EExtended strand (participates in β ladder)trans-135.810.3-178.755.94.3000113S214 K215 T266 R273S214-D249 CarbonylContact C-O 3.52Å; S214-D249 PolarHBondContact OG-O 2.81Å; K215-D249 HydrophobicContact CB-CB 4.05Å; K215-D249 HydrophobicContact CD-CB 4.39Å; K215-D249 PolarHBondContact N-O 3.4Å; D249-T266 PolarHBondContact N-O 3.48Å; D249-T266 WeakPolarHBondContact OD1-CG2 3.35Å; D249-R273 VanDerWaalsContact CG-NH1 3.3Å; D249-R273 IonicContact OD1-CZ 2.71Å; D249-R273 IonicContact OD1-NH1 2.73Å; D249-R273 PolarHBondContact OD1-NH1 2.72Å; D249-R273 IonicContact OD1-NH2 2.88Å; D249-R273 IonicContact OD2-CZ 3.46Å; D249-R273 IonicContact OD2-NH1 2.74Å; D249-R273 PolarHBondContact OD2-NH1 3.27Å; D249-R273 IonicContact OD2-NH2 3.54Å; D249-R273 PolarHBondContact OD2-NH2 2.94Å
250G98Very high97.6Very high0 Ų051.6 Ų51.60%029%0.294CS..EExtended strand (participates in β ladder)trans169-168.7-178.400000113.9N235 F263 G265 T266N235-G250 PolarHBondContact ND2-O 2.89Å; G250-F263 WeakPolarHBondContact O-CZ 3.01Å; G250-G265 CarbonylContact O-C 3.52Å; G250-G265 VanDerWaalsContact O-CA 3.31Å; G250-G265 WeakPolarHBondContact O-CA 3.26Å; G250-T266 PolarHBondContact O-N 3.05Å
251L98.4Very high97.7Very high8 Ų845 Ų454%0.04226%0.259CS..EExtended strand (participates in β ladder)cis-116.9-55.13.5177.463.8000111.9T67 A200 L203 I210 V264 T266T67-L251 HydrophobicContact CG2-CD2 3.72Å; T67-L251 HydrophobicContact CG2-CG 4.04Å; A200-L251 HydrophobicContact CB-CD2 3.98Å; L203-L251 HydrophobicContact CD2-CD1 4.24Å; L203-L251 HydrophobicContact CD2-CD2 3.95Å; I210-L251 HydrophobicContact CG1-CD1 3.8Å; L251-V264 WeakPolarHBondContact CA-O 3.27Å; L251-V264 HydrophobicContact CB-CG1 4.32Å; L251-V264 HydrophobicContact CD2-CG1 4.44Å; L251-V264 PolarHBondContact N-O 2.98Å; L251-T266 HydrophobicContact CB-CG2 4.47Å
252K98.8Very high97.8Very high6 Ų642.9 Ų42.93%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-156.7132.9-175-166.667.6-163.675.20114S63 T67 S127 F263 V264S63-K252 WeakPolarHBondContact O-CG 3.48Å; T67-K252 HydrophobicContact CG2-CB 3.83Å; T67-K252 HydrophobicContact CG2-CG 4.42Å; S127-K252 VanDerWaalsContact CB-NZ 3.33Å; S127-K252 WeakPolarHBondContact OG-CE 3.39Å; S127-K252 PolarHBondContact OG-NZ 2.98Å; K252-F263 WeakPolarHBondContact O-CD2 3.28Å; K252-V264 HydrophobicContact CB-CG1 4.06Å; K252-V264 PolarHBondContact N-O 3.24Å; K252-V264 WeakPolarHBondContact O-CG1 3.49Å; K252-V264 PolarHBondContact O-N 3.1Å
253T98.6Very high98Very high10 Ų1036.5 Ų36.56%0.06120%0.196CC..EExtended strand (participates in β ladder)trans-84.7154.3169.756.80000111.8S63 W234 F263 Y292S63-T253 CarbonylContact C-O 3.57Å; S63-T253 WeakPolarHBondContact CB-O 3.17Å; W234-T253 HydrophobicContact CB-CG2 4.1Å; W234-T253 VanDerWaalsContact CB-OG1 3.32Å; W234-T253 WeakPolarHBondContact CB-OG1 3.39Å; T253-F263 HydrophobicContact CG2-CD2 3.67Å; T253-F263 HydrophobicContact CG2-CE2 4.04Å; T253-Y292 HydrophobicContact CG2-CE1 4.2Å
254G98.4Very high98.1Very high2 Ų235.3 Ų35.32%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-143.4137.5170.200000111.5C262 R291G254-C262 PolarHBondContact N-O 2.78Å; G254-C262 WeakPolarHBondContact O-CA 3.5Å; G254-C262 WeakPolarHBondContact O-CB 3.25Å; G254-C262 PolarHBondContact O-N 2.85Å; G254-R291 PolarHBondContact O-NH1 2.68Å
255T98Very high98.1Very high69 Ų6930.1 Ų30.142%0.42317%0.169SC..  trans-148.7131.3175.1-38.50000110.3A62 G260 R291A62-T255 VanDerWaalsContact CB-N 3.33Å; T255-G260 WeakPolarHBondContact CA-O 3.28Å; T255-R291 PolarHBondContact OG1-NH1 2.96Å; T255-R291 PolarHBondContact OG1-NH2 3.11Å
256T97.4Very high98.1Very high24 Ų2428.9 Ų28.915%0.14716%0.164CC..  trans-147.4171.2163.953.50000107.1A62 E188 L258 A259 G260A62-T256 HydrophobicContact CB-CG2 3.77Å; E188-T256 VanDerWaalsContact CD-OG1 3.27Å; E188-T256 VanDerWaalsContact OE1-CB 3.28Å; E188-T256 WeakPolarHBondContact OE1-CB 3.42Å; E188-T256 PolarHBondContact OE1-OG1 3Å; E188-T256 WeakPolarHBondContact OE2-CB 3.4Å; E188-T256 PolarHBondContact OE2-OG1 3.35Å; T256-L258 PolarHBondContact O-N 3.19Å; T256-A259 PolarHBondContact O-N 2.9Å; T256-A259 WeakPolarHBondContact OG1-CB 3.44Å; T256-A259 PolarHBondContact OG1-N 3.1Å; T256-G260 WeakPolarHBondContact O-CA 3.33Å; T256-G260 PolarHBondContact O-N 3Å
257D95.1Very high98.2Very high174 Ų17422.6 Ų22.693%0.9313%0.134SC*.THydrogen-bonded Turntrans-60.8-35.2175.1-71.2-14000112
258L96.1Very high98.2Very high99 Ų9924.5 Ų24.552%0.51814%0.135SC..THydrogen-bonded Turntrans-76.9-47.8176.7-176.275.2000112.4E188 L190 T256E188-L258 HydrophobicContact CB-CD2 3.77Å; E188-L258 HydrophobicContact CG-CD2 4.01Å; E188-L258 WeakPolarHBondContact OE1-CB 3.41Å; L190-L258 HydrophobicContact CD2-CD2 4.16Å; T256-L258 PolarHBondContact O-N 3.19Å
259A97.8Very high98.1Very high2 Ų228.1 Ų28.12%0.01715%0.15CC..THydrogen-bonded Turntrans-74-29-174.800000112.7G60 A62 T256 C262 N280G60-A259 VanDerWaalsContact C-CB 3.48Å; G60-A259 WeakPolarHBondContact O-CB 3.15Å; A62-A259 HydrophobicContact CB-CB 3.76Å; T256-A259 PolarHBondContact O-N 2.9Å; T256-A259 WeakPolarHBondContact OG1-CB 3.44Å; T256-A259 PolarHBondContact OG1-N 3.1Å; A259-C262 PolarHBondContact O-SG 2.69Å; A259-N280 WeakPolarHBondContact O-CB 3.28Å
260G98.2Very high97.7Very high8 Ų833.2 Ų33.28%0.08218%0.177CC..  trans61.3-159.2-168.600000112.4T255 T256 C262T255-G260 WeakPolarHBondContact CA-O 3.28Å; T256-G260 WeakPolarHBondContact O-CA 3.33Å; T256-G260 PolarHBondContact O-N 3Å; G260-C262 PolarHBondContact O-N 3.18Å
261A98.3Very high97.2Very high0 Ų036.4 Ų36.40%021%0.21CC..SBendtrans-78.698.6-177.300000113.1N280 A281 Q284 R291A261-N280 CarbonylContact O-C 3.5Å; A261-N280 WeakPolarHBondContact O-CA 3.5Å; A261-N280 PolarHBondContact O-N 2.85Å; A261-A281 HydrophobicContact CB-CB 4.1Å; A261-A281 PolarHBondContact O-N 3.36Å; A261-Q284 HydrophobicContact CB-CB 4Å; A261-Q284 VanDerWaalsContact CB-CD 3.41Å; A261-Q284 HydrophobicContact CB-CG 3.94Å; A261-R291 VanDerWaalsContact CA-CZ 3.46Å; A261-R291 VanDerWaalsContact CA-NH2 3.35Å; A261-R291 HydrophobicContact CB-CB 4.2Å; A261-R291 VanDerWaalsContact CB-CZ 3.47Å; A261-R291 VanDerWaalsContact CB-NH2 3.28Å
262C98.8Very high97Very high0 Ų037.6 Ų37.60%021%0.213CC..EExtended strand (participates in β ladder)trans-105.1149.3177.3-56.60000112.6I64 G254 A259 G260 I278 L279 N280 R291I64-C262 HydrophobicContact CD1-CB 3.64Å; I64-C262 HydrophobicContact CG1-CB 4.48Å; G254-C262 PolarHBondContact N-O 2.78Å; G254-C262 WeakPolarHBondContact O-CA 3.5Å; G254-C262 WeakPolarHBondContact O-CB 3.25Å; G254-C262 PolarHBondContact O-N 2.85Å; A259-C262 PolarHBondContact O-SG 2.69Å; G260-C262 PolarHBondContact O-N 3.18Å; C262-I278 CarbonylContact C-O 3.43Å; C262-I278 VanDerWaalsContact CA-O 3.22Å; C262-I278 WeakPolarHBondContact CA-O 3.45Å; C262-L279 HydrophobicContact CB-CD2 4.1Å; C262-N280 PolarHBondContact SG-N 2.88Å; C262-R291 PolarHBondContact O-NH1 3.23Å
263F98.9Very high97Very high0 Ų038.4 Ų38.40%022%0.216CC..EExtended strand (participates in β ladder)trans-150.7129171.4-173.8-138.8000111.5N235 M237 G250 K252 T253 I278 R291 Y292 T295N235-F263 HydrophobicContact CB-CE2 4.4Å; N235-F263 HydrophobicContact CB-CZ 4.43Å; N235-F263 WeakPolarHBondContact OD1-CZ 3.18Å; M237-F263 HydrophobicContact SD-CD1 4.45Å; M237-F263 HydrophobicContact SD-CE1 3.72Å; G250-F263 WeakPolarHBondContact O-CZ 3.01Å; K252-F263 WeakPolarHBondContact O-CD2 3.28Å; T253-F263 HydrophobicContact CG2-CD2 3.67Å; T253-F263 HydrophobicContact CG2-CE2 4.04Å; F263-I278 PolarHBondContact N-O 3.38Å; F263-I278 PolarHBondContact O-N 3.02Å; F263-R291 HydrophobicContact CB-CB 4.29Å; F263-R291 HydrophobicContact CB-CG 4.2Å; F263-Y292 HydrophobicContact CD1-CD1 4.18Å; F263-Y292 HydrophobicContact CD1-CE1 4.38Å; F263-Y292 HydrophobicContact CE1-CD1 4.31Å; F263-Y292 HydrophobicContact CG-CE1 4.49Å; F263-T295 HydrophobicContact CD1-CG2 3.77Å; F263-T295 WeakPolarHBondContact CD1-OG1 3.36Å; F263-T295 HydrophobicContact CE1-CG2 3.85Å
264V98.9Very high97Very high1 Ų137.9 Ų37.91%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-100.9109.4160.156.50000108.3I64 T67 V196 A200 L251 K252 I275 T276 V277I64-V264 HydrophobicContact CD1-CB 4.45Å; I64-V264 HydrophobicContact CD1-CG1 4.32Å; I64-V264 HydrophobicContact CG1-CG1 4.2Å; I64-V264 HydrophobicContact CG2-CG1 3.94Å; T67-V264 HydrophobicContact CG2-CG1 4.25Å; V196-V264 HydrophobicContact CG1-CB 3.91Å; V196-V264 HydrophobicContact CG1-CG1 4.38Å; V196-V264 HydrophobicContact CG1-CG2 4.12Å; A200-V264 HydrophobicContact CB-CG2 3.73Å; L251-V264 WeakPolarHBondContact CA-O 3.27Å; L251-V264 HydrophobicContact CB-CG1 4.32Å; L251-V264 HydrophobicContact CD2-CG1 4.44Å; L251-V264 PolarHBondContact N-O 2.98Å; K252-V264 HydrophobicContact CB-CG1 4.06Å; K252-V264 PolarHBondContact N-O 3.24Å; K252-V264 WeakPolarHBondContact O-CG1 3.49Å; K252-V264 PolarHBondContact O-N 3.1Å; V264-I275 HydrophobicContact CG2-CG2 4.07Å; V264-T276 CarbonylContact C-O 3.53Å; V264-T276 WeakPolarHBondContact CA-O 3.36Å; V264-V277 HydrophobicContact CB-CG2 4.46Å; V264-V277 HydrophobicContact CG2-CG2 4.06Å
265G98.8Very high97Very high0 Ų037.9 Ų37.90%021%0.213CC..EExtended strand (participates in β ladder)trans-104.1152.9-177.500000111.8G250 I275 T276G250-G265 CarbonylContact O-C 3.52Å; G250-G265 VanDerWaalsContact O-CA 3.31Å; G250-G265 WeakPolarHBondContact O-CA 3.26Å; G265-I275 WeakPolarHBondContact O-CA 3.35Å; G265-T276 PolarHBondContact N-O 2.99Å; G265-T276 PolarHBondContact O-N 3Å; G265-T276 PolarHBondContact O-OG1 3Å
266T98.8Very high97.1Very high1 Ų134.6 Ų34.61%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-136.1145.3167.9-177.50000111I204 L211 V248 D249 G250 L251 R273 V274I204-T266 HydrophobicContact CD1-CG2 4.1Å; L211-T266 HydrophobicContact CD2-CG2 3.78Å; V248-T266 WeakPolarHBondContact CA-O 3.35Å; D249-T266 PolarHBondContact N-O 3.48Å; D249-T266 WeakPolarHBondContact OD1-CG2 3.35Å; G250-T266 PolarHBondContact O-N 3.05Å; L251-T266 HydrophobicContact CB-CG2 4.47Å; T266-R273 WeakPolarHBondContact OG1-CG 3.37Å; T266-R273 PolarHBondContact OG1-NH1 3.21Å; T266-V274 VanDerWaalsContact CA-O 3.25Å; T266-V274 WeakPolarHBondContact CA-O 3.3Å; T266-V274 PolarHBondContact OG1-O 2.92Å; T266-V274 VanDerWaalsContact OG1-O 3.06Å
267I98.7Very high97.2Very high2 Ų233.4 Ų33.41%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-137.4131.3178.9-177.7162.7000109.9K245 E246 G247 V248 R273 V274 M299 L303K245-I267 HydrophobicContact CD-CD1 4.08Å; K245-I267 HydrophobicContact CG-CD1 4.09Å; E246-I267 WeakPolarHBondContact O-CD1 3.32Å; G247-I267 WeakPolarHBondContact O-CA 3.2Å; V248-I267 HydrophobicContact CG2-CB 4.18Å; V248-I267 HydrophobicContact CG2-CD1 4.21Å; V248-I267 HydrophobicContact CG2-CG1 4.39Å; I267-R273 WeakPolarHBondContact O-CA 3.37Å; I267-V274 HydrophobicContact CG2-CB 3.83Å; I267-V274 HydrophobicContact CG2-CG2 4.44Å; I267-V274 PolarHBondContact N-O 2.76Å; I267-V274 PolarHBondContact O-N 2.85Å; I267-M299 HydrophobicContact CB-CE 4.02Å; I267-M299 HydrophobicContact CB-SD 3.85Å; I267-M299 HydrophobicContact CD1-SD 4.12Å; I267-M299 HydrophobicContact CG2-CB 4.28Å; I267-M299 HydrophobicContact CG2-CE 4.01Å; I267-M299 HydrophobicContact CG2-CG 3.81Å; I267-M299 HydrophobicContact CG2-SD 3.75Å; I267-L303 HydrophobicContact CD1-CD1 4.01Å
268Q98.3Very high97.3Very high72 Ų7225.1 Ų25.134%0.33614%0.141SC..EExtended strand (participates in β ladder)trans-104.2120.3170.5-176.676.952.100109.7G247 G271 R272 R273G247-Q268 PolarHBondContact O-N 3.01Å; Q268-G271 VanDerWaalsContact NE2-C 3.34Å; Q268-R272 WeakPolarHBondContact CA-O 3.23Å; Q268-R272 VanDerWaalsContact NE2-C 3.26Å; Q268-R272 PolarHBondContact NE2-O 2.93Å; Q268-R273 VanDerWaalsContact OE1-NE 3.13Å
269K96.7Very high97.5Very high90 Ų9020.4 Ų20.439%0.39112%0.117SC..EExtended strand (participates in β ladder)trans-150141.4177-163.5170.3-175.71670110.6G271 R272 L303K269-G271 PolarHBondContact O-N 3.39Å; K269-G271 VanDerWaalsContact O-N 3.08Å; K269-R272 PolarHBondContact N-O 2.86Å; K269-R272 WeakPolarHBondContact O-CG 3.4Å; K269-R272 PolarHBondContact O-N 3.2Å; K269-R272 VanDerWaalsContact O-O 3.11Å; K269-L303 HydrophobicContact CB-CD2 4.1Å; K269-L303 HydrophobicContact CD-CD1 4.04Å
270D90.3Very high97.5Very high130 Ų13022 Ų2270%0.69512%0.124SC*.THydrogen-bonded Turntrans51.236.1176.4-50-39.6000114.6R272D270-R272 VanDerWaalsContact C-N 3.25Å; D270-R272 PolarHBondContact O-N 2.9Å; D270-R272 IonicContact OD2-NH2 3.13Å
271G88.6Confident97.5Very high67 Ų6721.6 Ų21.669%0.69112%0.121SC*.THydrogen-bonded Turntrans74.54.5-179.700000115.8Q268 K269Q268-G271 VanDerWaalsContact NE2-C 3.34Å; K269-G271 PolarHBondContact O-N 3.39Å; K269-G271 VanDerWaalsContact O-N 3.08Å
272R94Very high97.5Very high32 Ų3225.4 Ų25.412%0.12114%0.14CC..EExtended strand (participates in β ladder)trans-109.8148.9171.653.6168.2156.1-164.81111.4Q268 K269 D270 L303 W306 W345Q268-R272 WeakPolarHBondContact CA-O 3.23Å; Q268-R272 VanDerWaalsContact NE2-C 3.26Å; Q268-R272 PolarHBondContact NE2-O 2.93Å; K269-R272 PolarHBondContact N-O 2.86Å; K269-R272 WeakPolarHBondContact O-CG 3.4Å; K269-R272 PolarHBondContact O-N 3.2Å; K269-R272 VanDerWaalsContact O-O 3.11Å; D270-R272 VanDerWaalsContact C-N 3.25Å; D270-R272 PolarHBondContact O-N 2.9Å; D270-R272 IonicContact OD2-NH2 3.13Å; R272-L303 HydrophobicContact CG-CD2 4.48Å; R272-L303 VanDerWaalsContact CZ-O 3.32Å; R272-L303 VanDerWaalsContact NE-CD2 3.34Å; R272-L303 PolarHBondContact NH1-O 3.38Å; R272-L303 VanDerWaalsContact NH1-O 3.11Å; R272-L303 PolarHBondContact NH2-O 2.73Å; R272-W306 PolarHBondContact NH1-O 2.94Å; R272-W345 HydrophobicContact CB-CH2 3.79Å; R272-W345 HydrophobicContact CB-CZ2 3.94Å; R272-W345 HydrophobicContact CG-CH2 4.19Å
273R98.3Very high97.4Very high23 Ų2328 Ų289%0.08716%0.155CC..EExtended strand (participates in β ladder)trans-114.5122.5170.8-178.3166.5-70.7-83.13.3110.1A44 L211 D249 T266 I267 Q268A44-R273 HydrophobicContact CB-CB 3.86Å; A44-R273 HydrophobicContact CB-CG 3.73Å; A44-R273 WeakPolarHBondContact CB-O 3.45Å; A44-R273 PolarHBondContact N-O 2.92Å; L211-R273 VanDerWaalsContact CD1-CZ 3.47Å; D249-R273 VanDerWaalsContact CG-NH1 3.3Å; D249-R273 IonicContact OD1-CZ 2.71Å; D249-R273 IonicContact OD1-NH1 2.73Å; D249-R273 PolarHBondContact OD1-NH1 2.72Å; D249-R273 IonicContact OD1-NH2 2.88Å; D249-R273 IonicContact OD2-CZ 3.46Å; D249-R273 IonicContact OD2-NH1 2.74Å; D249-R273 PolarHBondContact OD2-NH1 3.27Å; D249-R273 IonicContact OD2-NH2 3.54Å; D249-R273 PolarHBondContact OD2-NH2 2.94Å; T266-R273 WeakPolarHBondContact OG1-CG 3.37Å; T266-R273 PolarHBondContact OG1-NH1 3.21Å; I267-R273 WeakPolarHBondContact O-CA 3.37Å; Q268-R273 VanDerWaalsContact OE1-NE 3.13Å
274V98.8Very high97.3Very high0 Ų030.9 Ų30.90%017%0.168CC..EExtended strand (participates in β ladder)trans-101.6139.2173.8-175.70000108.8I42 F50 T266 I267 T276 C302 L303I42-V274 WeakPolarHBondContact O-CA 3.43Å; F50-V274 HydrophobicContact CD2-CG1 4.36Å; F50-V274 HydrophobicContact CE2-CG2 4.13Å; T266-V274 VanDerWaalsContact CA-O 3.25Å; T266-V274 WeakPolarHBondContact CA-O 3.3Å; T266-V274 PolarHBondContact OG1-O 2.92Å; T266-V274 VanDerWaalsContact OG1-O 3.06Å; I267-V274 HydrophobicContact CG2-CB 3.83Å; I267-V274 HydrophobicContact CG2-CG2 4.44Å; I267-V274 PolarHBondContact N-O 2.76Å; I267-V274 PolarHBondContact O-N 2.85Å; V274-T276 HydrophobicContact CG1-CG2 3.97Å; V274-C302 HydrophobicContact CG1-CB 3.91Å; V274-C302 HydrophobicContact CG2-CB 4.3Å; V274-L303 HydrophobicContact CG2-CD2 4.2Å
275I98.9Very high97.1Very high1 Ų136.3 Ų36.31%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-110.9128.8166.5-63.5166.1000107.1A41 I42 A44 A200 Q201 I204 V264 G265A41-I275 CarbonylContact C-O 3.54Å; A41-I275 VanDerWaalsContact CA-O 3.23Å; A41-I275 WeakPolarHBondContact CA-O 3.37Å; I42-I275 HydrophobicContact CD1-CB 4.49Å; I42-I275 HydrophobicContact CD1-CD1 4.23Å; I42-I275 HydrophobicContact CG1-CB 3.88Å; I42-I275 HydrophobicContact CG1-CD1 4.41Å; I42-I275 PolarHBondContact N-O 3.15Å; I42-I275 PolarHBondContact O-N 3.32Å; A44-I275 HydrophobicContact CB-CD1 3.72Å; A44-I275 HydrophobicContact CB-CG1 4.03Å; A200-I275 HydrophobicContact CB-CD1 4.34Å; A200-I275 HydrophobicContact CB-CG2 3.89Å; Q201-I275 HydrophobicContact CB-CD1 4.08Å; Q201-I275 HydrophobicContact CG-CD1 4.49Å; I204-I275 HydrophobicContact CD1-CD1 3.99Å; I204-I275 HydrophobicContact CD1-CG1 4.08Å; V264-I275 HydrophobicContact CG2-CG2 4.07Å; G265-I275 WeakPolarHBondContact O-CA 3.35Å
276T98.9Very high97Very high0 Ų042.8 Ų42.80%024%0.238CC..EExtended strand (participates in β ladder)trans-120.7140.1177.454.30000109.9Y40 A41 V264 G265 V274 T295 L298 M299Y40-T276 CarbonylContact O-C 3.6Å; Y40-T276 WeakPolarHBondContact O-CA 3.43Å; A41-T276 HydrophobicContact CB-CG2 4.11Å; V264-T276 CarbonylContact C-O 3.53Å; V264-T276 WeakPolarHBondContact CA-O 3.36Å; G265-T276 PolarHBondContact N-O 2.99Å; G265-T276 PolarHBondContact O-N 3Å; G265-T276 PolarHBondContact O-OG1 3Å; V274-T276 HydrophobicContact CG1-CG2 3.97Å; T276-T295 WeakPolarHBondContact OG1-CG2 3.19Å; T276-L298 HydrophobicContact CG2-CB 4.43Å; T276-L298 HydrophobicContact CG2-CD2 4.04Å; T276-L298 HydrophobicContact CG2-CG 3.83Å; T276-M299 HydrophobicContact CG2-CG 3.64Å; T276-M299 WeakPolarHBondContact OG1-CE 3.31Å
277V99Very high96.9Very high0 Ų045.2 Ų45.20%025%0.251CS..EExtended strand (participates in β ladder)trans-124.5124.2176.3-1750000108.5G39 Y40 A193 V196 A197 V264 L279G39-V277 CarbonylContact C-O 3.58Å; G39-V277 VanDerWaalsContact CA-O 3.28Å; G39-V277 WeakPolarHBondContact CA-O 3.29Å; Y40-V277 PolarHBondContact N-O 3.15Å; Y40-V277 PolarHBondContact O-N 2.92Å; A193-V277 HydrophobicContact CB-CB 4.23Å; A193-V277 HydrophobicContact CB-CG1 3.84Å; V196-V277 HydrophobicContact CB-CG1 3.95Å; V196-V277 HydrophobicContact CB-CG2 4.19Å; V196-V277 HydrophobicContact CG1-CB 4.43Å; V196-V277 HydrophobicContact CG1-CG1 3.71Å; V196-V277 HydrophobicContact CG1-CG2 3.78Å; A197-V277 HydrophobicContact CB-CG2 3.99Å; V264-V277 HydrophobicContact CB-CG2 4.46Å; V264-V277 HydrophobicContact CG2-CG2 4.06Å; V277-L279 HydrophobicContact CG1-CD2 3.79Å; V277-L279 HydrophobicContact CG1-CG 3.92Å
278I98.9Very high96.8Very high0 Ų052.5 Ų52.50%029%0.285CS..EExtended strand (participates in β ladder)trans-115.9119.3168.8-64.4-60.4000107.2V34 A36 C262 F263 A281 E294 T295 L298V34-I278 HydrophobicContact CB-CD1 4.14Å; V34-I278 HydrophobicContact CG1-CD1 4.1Å; V34-I278 HydrophobicContact CG2-CD1 4Å; A36-I278 HydrophobicContact CB-CG2 3.75Å; C262-I278 CarbonylContact C-O 3.43Å; C262-I278 VanDerWaalsContact CA-O 3.22Å; C262-I278 WeakPolarHBondContact CA-O 3.45Å; F263-I278 PolarHBondContact N-O 3.38Å; F263-I278 PolarHBondContact O-N 3.02Å; I278-A281 HydrophobicContact CG2-CB 4.1Å; I278-E294 HydrophobicContact CD1-CB 3.98Å; I278-E294 HydrophobicContact CG1-CB 4.22Å; I278-E294 HydrophobicContact CG2-CB 4.46Å; I278-T295 VanDerWaalsContact CG1-OG1 3.31Å; I278-T295 WeakPolarHBondContact CG1-OG1 3.36Å; I278-L298 HydrophobicContact CD1-CD2 3.96Å
279L98.8Very high96.7Very high0 Ų050.7 Ų50.70%028%0.277CS..EExtended strand (participates in β ladder)trans-110.6118.6173.4-57.8-174.4000109.3N37 A38 K59 I61 I64 A193 C262 V277N37-L279 PolarHBondContact N-O 3.09Å; N37-L279 VanDerWaalsContact N-O 3.16Å; A38-L279 HydrophobicContact CB-CB 4.32Å; A38-L279 PolarHBondContact N-O 2.85Å; A38-L279 VanDerWaalsContact N-O 3.15Å; A38-L279 PolarHBondContact O-N 3.47Å; K59-L279 HydrophobicContact CB-CB 4.48Å; K59-L279 HydrophobicContact CB-CD1 4.06Å; K59-L279 HydrophobicContact CD-CB 3.99Å; K59-L279 HydrophobicContact CD-CD1 4.33Å; K59-L279 HydrophobicContact CG-CD1 4.42Å; I61-L279 HydrophobicContact CG2-CD2 4.33Å; I64-L279 HydrophobicContact CD1-CD2 4.06Å; A193-L279 HydrophobicContact CB-CD1 3.83Å; A193-L279 HydrophobicContact CB-CG 4.1Å; C262-L279 HydrophobicContact CB-CD2 4.1Å; V277-L279 HydrophobicContact CG1-CD2 3.79Å; V277-L279 HydrophobicContact CG1-CG 3.92Å
280N98.6Very high96.8Very high34 Ų3446.5 Ų46.518%0.18226%0.259CS..EExtended strand (participates in β ladder)trans54.482.4-175.9-165.1-5.1000114.4A36 N37 A259 A261 C262 L282A36-N280 CarbonylContact C-O 3.59Å; A36-N280 WeakPolarHBondContact CA-O 3.48Å; A36-N280 WeakPolarHBondContact CB-O 3.33Å; N37-N280 HydrophobicContact CB-CB 4.05Å; N37-N280 PolarHBondContact N-O 3.15Å; N37-N280 PolarHBondContact ND2-ND2 2.66Å; N37-N280 VanDerWaalsContact ND2-ND2 3.11Å; A259-N280 WeakPolarHBondContact O-CB 3.28Å; A261-N280 CarbonylContact O-C 3.5Å; A261-N280 WeakPolarHBondContact O-CA 3.5Å; A261-N280 PolarHBondContact O-N 2.85Å; C262-N280 PolarHBondContact SG-N 2.88Å; N280-L282 PolarHBondContact O-N 2.79Å
281A98.6Very high97.2Very high0 Ų040.9 Ų40.90%023%0.229CC..EExtended strand (participates in β ladder)trans-67116.9170.100000110.9A261 I278 N283 Q284 A290 R291A261-A281 HydrophobicContact CB-CB 4.1Å; A261-A281 PolarHBondContact O-N 3.36Å; I278-A281 HydrophobicContact CG2-CB 4.1Å; A281-N283 VanDerWaalsContact C-N 3.33Å; A281-N283 PolarHBondContact O-N 2.81Å; A281-Q284 WeakPolarHBondContact O-CB 3.11Å; A281-Q284 PolarHBondContact O-N 2.82Å; A281-A290 HydrophobicContact CB-CB 3.92Å; A281-R291 HydrophobicContact CB-CB 4.01Å
282L98Very high97.7Very high80 Ų8038.3 Ų38.342%0.41920%0.198SC..THydrogen-bonded Turntrans-74.7-21.2-164.3-65177.4000114N35 N37 N280 Q284 P285N35-L282 PolarHBondContact O-N 2.79Å; N37-L282 WeakPolarHBondContact OD1-CD2 3.38Å; N280-L282 PolarHBondContact O-N 2.79Å; L282-Q284 VanDerWaalsContact C-N 3.26Å; L282-Q284 PolarHBondContact O-N 3.14Å; L282-P285 WeakPolarHBondContact O-CD 3.42Å
283N96.9Very high97.9Very high56 Ų5639.2 Ų39.230%0.29921%0.207SC..THydrogen-bonded Turntrans-84.34.6178-160.544.1000113.7A281 P285 N286 D287 A290A281-N283 VanDerWaalsContact C-N 3.33Å; A281-N283 PolarHBondContact O-N 2.81Å; N283-P285 VanDerWaalsContact C-N 3.27Å; N283-P285 VanDerWaalsContact O-N 3.15Å; N283-N286 PolarHBondContact O-N 3.13Å; N283-N286 WeakPolarHBondContact OD1-CB 3.33Å; N283-N286 PolarHBondContact OD1-ND2 2.93Å; N283-D287 PolarHBondContact O-N 2.7Å; N283-A290 HydrophobicContact CB-CB 4.03Å
284Q95.7Very high97.9Very high60 Ų6039.1 Ų39.128%0.2821%0.208SC..THydrogen-bonded Turntrans-48.8-39.9179.6-175-175.97.800114.2A261 A281 L282 N286 D287A261-Q284 HydrophobicContact CB-CB 4Å; A261-Q284 VanDerWaalsContact CB-CD 3.41Å; A261-Q284 HydrophobicContact CB-CG 3.94Å; A281-Q284 WeakPolarHBondContact O-CB 3.11Å; A281-Q284 PolarHBondContact O-N 2.82Å; L282-Q284 VanDerWaalsContact C-N 3.26Å; L282-Q284 PolarHBondContact O-N 3.14Å; Q284-N286 PolarHBondContact O-N 2.79Å; Q284-D287 WeakPolarHBondContact CA-O 3.39Å; Q284-D287 CarbonylContact O-C 3.45Å; Q284-D287 PolarHBondContact O-N 2.63Å
285P95Very high97.9Very high114 Ų11439.1 Ų39.174%0.7421%0.208SC*.THydrogen-bonded Turntrans-62.4-22.5178.6-25.436.5000115L282 N283L282-P285 WeakPolarHBondContact O-CD 3.42Å; N283-P285 VanDerWaalsContact C-N 3.27Å; N283-P285 VanDerWaalsContact O-N 3.15Å
286N97.5Very high97.9Very high137 Ų13740.5 Ų40.573%0.73322%0.217SC*.THydrogen-bonded Turntrans-106.4-19.4178.8-55.3-54000113N283 Q284N283-N286 PolarHBondContact O-N 3.13Å; N283-N286 WeakPolarHBondContact OD1-CB 3.33Å; N283-N286 PolarHBondContact OD1-ND2 2.93Å; Q284-N286 PolarHBondContact O-N 2.79Å
287D97Very high97.9Very high52 Ų5243.9 Ų43.928%0.27824%0.235SC..  trans-148.4108.9-177179.48000110.3N283 Q284 N289 A290N283-D287 PolarHBondContact O-N 2.7Å; Q284-D287 WeakPolarHBondContact CA-O 3.39Å; Q284-D287 CarbonylContact O-C 3.45Å; Q284-D287 PolarHBondContact O-N 2.63Å; D287-N289 PolarHBondContact O-N 2.68Å; D287-N289 WeakPolarHBondContact OD1-CA 3.41Å; D287-N289 WeakPolarHBondContact OD1-CB 3.33Å; D287-N289 PolarHBondContact OD1-N 2.92Å; D287-A290 VanDerWaalsContact O-CB 3.28Å; D287-A290 WeakPolarHBondContact O-CB 3.34Å; D287-A290 PolarHBondContact O-N 3.37Å
288E95.5Very high97.9Very high154 Ų15443.9 Ų43.972%0.7224%0.235SC*.THydrogen-bonded Turntrans-58.2-22.7177.367.5-173.9-178.100113.2
289N97.4Very high97.9Very high34 Ų3443.9 Ų43.918%0.18224%0.235CC..THydrogen-bonded Turntrans-92.55.9-179.9-63.2-72000113.8N243 D287 R291 Y292 V293N243-N289 WeakPolarHBondContact ND2-CB 3.38Å; N243-N289 PolarHBondContact ND2-OD1 3.14Å; D287-N289 PolarHBondContact O-N 2.68Å; D287-N289 WeakPolarHBondContact OD1-CA 3.41Å; D287-N289 WeakPolarHBondContact OD1-CB 3.33Å; D287-N289 PolarHBondContact OD1-N 2.92Å; N289-R291 PolarHBondContact O-N 3.12Å; N289-Y292 HydrophobicContact CB-CD2 3.96Å; N289-Y292 WeakPolarHBondContact O-CA 3.48Å; N289-Y292 WeakPolarHBondContact O-CB 3.44Å; N289-Y292 PolarHBondContact O-N 3.19Å; N289-V293 PolarHBondContact O-N 2.71Å; N289-V293 VanDerWaalsContact O-N 3.1Å
290A98.3Very high97.8Very high2 Ų246.5 Ų46.52%0.01725%0.249CC..Hα-helixtrans-48.6-42.5-175.100000113.3A281 N283 D287 Y292 V293 E294A281-A290 HydrophobicContact CB-CB 3.92Å; N283-A290 HydrophobicContact CB-CB 4.03Å; D287-A290 VanDerWaalsContact O-CB 3.28Å; D287-A290 WeakPolarHBondContact O-CB 3.34Å; D287-A290 PolarHBondContact O-N 3.37Å; A290-Y292 VanDerWaalsContact C-N 3.29Å; A290-Y292 PolarHBondContact O-N 3.35Å; A290-V293 PolarHBondContact O-N 3.16Å; A290-E294 WeakPolarHBondContact O-CG 3.35Å; A290-E294 PolarHBondContact O-N 3.41Å
291R98.5Very high97.8Very high13 Ų1345.3 Ų45.35%0.04924%0.242CC..Hα-helixtrans-61.6-34.4177.874.3-173.881.4-163.74.1113.5G254 T255 A261 C262 F263 A281 N289 T295G254-R291 PolarHBondContact O-NH1 2.68Å; T255-R291 PolarHBondContact OG1-NH1 2.96Å; T255-R291 PolarHBondContact OG1-NH2 3.11Å; A261-R291 VanDerWaalsContact CA-CZ 3.46Å; A261-R291 VanDerWaalsContact CA-NH2 3.35Å; A261-R291 HydrophobicContact CB-CB 4.2Å; A261-R291 VanDerWaalsContact CB-CZ 3.47Å; A261-R291 VanDerWaalsContact CB-NH2 3.28Å; C262-R291 PolarHBondContact O-NH1 3.23Å; F263-R291 HydrophobicContact CB-CB 4.29Å; F263-R291 HydrophobicContact CB-CG 4.2Å; A281-R291 HydrophobicContact CB-CB 4.01Å; N289-R291 PolarHBondContact O-N 3.12Å; R291-T295 WeakPolarHBondContact O-CB 3.43Å; R291-T295 PolarHBondContact O-N 3.06Å; R291-T295 PolarHBondContact O-OG1 2.87Å
292Y98.7Very high97.8Very high13 Ų1345.3 Ų45.35%0.05124%0.242CC..Hα-helixtrans-79.4-35.3-179.1-49.7-60.4000111.4W234 V236 M237 T253 F263 N289 A290 T295 S296W234-Y292 PolarHBondContact O-OH 2.94Å; V236-Y292 HydrophobicContact CB-CE2 4.29Å; V236-Y292 HydrophobicContact CG1-CE2 4.09Å; V236-Y292 HydrophobicContact CG2-CD1 4.07Å; V236-Y292 HydrophobicContact CG2-CD2 3.21Å; V236-Y292 HydrophobicContact CG2-CE1 4.11Å; V236-Y292 HydrophobicContact CG2-CE2 3.26Å; V236-Y292 HydrophobicContact CG2-CG 3.65Å; M237-Y292 HydrophobicContact CG-CD1 3.71Å; M237-Y292 HydrophobicContact CG-CG 4.06Å; M237-Y292 HydrophobicContact SD-CD1 4Å; T253-Y292 HydrophobicContact CG2-CE1 4.2Å; F263-Y292 HydrophobicContact CD1-CD1 4.18Å; F263-Y292 HydrophobicContact CD1-CE1 4.38Å; F263-Y292 HydrophobicContact CE1-CD1 4.31Å; F263-Y292 HydrophobicContact CG-CE1 4.49Å; N289-Y292 HydrophobicContact CB-CD2 3.96Å; N289-Y292 WeakPolarHBondContact O-CA 3.48Å; N289-Y292 WeakPolarHBondContact O-CB 3.44Å; N289-Y292 PolarHBondContact O-N 3.19Å; A290-Y292 VanDerWaalsContact C-N 3.29Å; A290-Y292 PolarHBondContact O-N 3.35Å; Y292-T295 PolarHBondContact O-N 3.34Å; Y292-S296 VanDerWaalsContact O-CB 3.28Å; Y292-S296 WeakPolarHBondContact O-CB 3.44Å; Y292-S296 PolarHBondContact O-N 3.44Å
293V98.4Very high97.7Very high50 Ų5042 Ų4230%0.30323%0.225SC..Hα-helixtrans-59.8-53.6171.5175.30000110.1N289 A290 T295 S296 N297N289-V293 PolarHBondContact O-N 2.71Å; N289-V293 VanDerWaalsContact O-N 3.1Å; A290-V293 PolarHBondContact O-N 3.16Å; V293-T295 VanDerWaalsContact C-N 3.33Å; V293-T295 PolarHBondContact O-N 3.36Å; V293-S296 PolarHBondContact O-N 3.07Å; V293-N297 VanDerWaalsContact O-CG 3.28Å; V293-N297 PolarHBondContact O-N 3.42Å; V293-N297 PolarHBondContact O-ND2 2.84Å
294E98.7Very high97.7Very high22 Ų2244.6 Ų44.610%0.10324%0.239CC..Hα-helixtrans-63.3-39.3178.7-63.1-48.9135.100112.1V34 N35 I278 A290 N297 L298V34-E294 VanDerWaalsContact CA-OE2 3.27Å; V34-E294 WeakPolarHBondContact CA-OE2 3.34Å; V34-E294 HydrophobicContact CB-CB 4.4Å; V34-E294 WeakPolarHBondContact CB-OE2 3.3Å; N35-E294 HydrophobicContact CB-CG 4.39Å; N35-E294 VanDerWaalsContact N-CD 3.31Å; N35-E294 PolarHBondContact N-OE2 3.39Å; I278-E294 HydrophobicContact CD1-CB 3.98Å; I278-E294 HydrophobicContact CG1-CB 4.22Å; I278-E294 HydrophobicContact CG2-CB 4.46Å; A290-E294 WeakPolarHBondContact O-CG 3.35Å; A290-E294 PolarHBondContact O-N 3.41Å; E294-N297 PolarHBondContact O-N 3.46Å; E294-L298 WeakPolarHBondContact O-CB 3.31Å; E294-L298 PolarHBondContact O-N 3.29Å
295T98.9Very high97.7Very high0 Ų044.2 Ų44.20%024%0.239CC..Hα-helixtrans-64.4-44.3175.9-63.50000111.9M237 F263 T276 I278 R291 Y292 V293 N297 L298 M299M237-T295 HydrophobicContact CE-CG2 4.44Å; M237-T295 HydrophobicContact SD-CG2 4.04Å; F263-T295 HydrophobicContact CD1-CG2 3.77Å; F263-T295 WeakPolarHBondContact CD1-OG1 3.36Å; F263-T295 HydrophobicContact CE1-CG2 3.85Å; T276-T295 WeakPolarHBondContact OG1-CG2 3.19Å; I278-T295 VanDerWaalsContact CG1-OG1 3.31Å; I278-T295 WeakPolarHBondContact CG1-OG1 3.36Å; R291-T295 WeakPolarHBondContact O-CB 3.43Å; R291-T295 PolarHBondContact O-N 3.06Å; R291-T295 PolarHBondContact O-OG1 2.87Å; Y292-T295 PolarHBondContact O-N 3.34Å; V293-T295 VanDerWaalsContact C-N 3.33Å; V293-T295 PolarHBondContact O-N 3.36Å; T295-N297 PolarHBondContact O-N 3.38Å; T295-L298 PolarHBondContact O-N 3.17Å; T295-M299 HydrophobicContact CG2-CE 3.62Å; T295-M299 HydrophobicContact CG2-CG 4.28Å; T295-M299 HydrophobicContact CG2-SD 4.03Å; T295-M299 WeakPolarHBondContact O-CB 3.48Å; T295-M299 VanDerWaalsContact O-CG 3.26Å; T295-M299 WeakPolarHBondContact O-CG 3.5Å; T295-M299 PolarHBondContact O-N 2.89Å
296S98.6Very high97.8Very high29 Ų2938.9 Ų38.920%0.20320%0.204CC..Hα-helixtrans-61.1-45.1177.1179.50000111.3K245 Y292 V293 L298 M299 D300K245-S296 PolarHBondContact NZ-OG 3Å; Y292-S296 VanDerWaalsContact O-CB 3.28Å; Y292-S296 WeakPolarHBondContact O-CB 3.44Å; Y292-S296 PolarHBondContact O-N 3.44Å; V293-S296 PolarHBondContact O-N 3.07Å; S296-L298 PolarHBondContact O-N 3.3Å; S296-M299 PolarHBondContact O-N 3.08Å; S296-D300 WeakPolarHBondContact O-CB 3.33Å; S296-D300 PolarHBondContact O-N 2.88Å
297N98.5Very high97.7Very high72 Ų7234.4 Ų34.439%0.38518%0.183SC..Hα-helixtrans-60.2-44.9176.6-69.3-21.3000111.5F32 V293 E294 T295 D300 Y301F32-N297 HydrophobicContact CE2-CB 4.33Å; F32-N297 HydrophobicContact CZ-CB 4.2Å; V293-N297 VanDerWaalsContact O-CG 3.28Å; V293-N297 PolarHBondContact O-N 3.42Å; V293-N297 PolarHBondContact O-ND2 2.84Å; E294-N297 PolarHBondContact O-N 3.46Å; T295-N297 PolarHBondContact O-N 3.38Å; N297-D300 PolarHBondContact O-N 2.72Å; N297-Y301 WeakPolarHBondContact O-CB 3.28Å; N297-Y301 PolarHBondContact O-N 3.34Å
298L98.8Very high97.6Very high0 Ų036.4 Ų36.40%019%0.191CC..Hα-helixtrans-65.9-41.1178.5179.955.8000112.1F32 V34 A41 F51 T276 I278 E294 T295 S296 Y301 C302F32-L298 HydrophobicContact CE1-CD1 3.85Å; F32-L298 HydrophobicContact CZ-CB 4.48Å; V34-L298 HydrophobicContact CG1-CB 4.13Å; A41-L298 HydrophobicContact CB-CD1 3.99Å; A41-L298 HydrophobicContact CB-CD2 4.21Å; A41-L298 HydrophobicContact CB-CG 4.1Å; F51-L298 HydrophobicContact CB-CD1 3.66Å; F51-L298 HydrophobicContact CD1-CD1 3.48Å; F51-L298 VanDerWaalsContact CD1-CD1 3.48Å; F51-L298 HydrophobicContact CD1-CD2 4.32Å; F51-L298 HydrophobicContact CD2-CD1 4.35Å; F51-L298 HydrophobicContact CE1-CD1 4.19Å; F51-L298 HydrophobicContact CG-CD1 3.56Å; T276-L298 HydrophobicContact CG2-CB 4.43Å; T276-L298 HydrophobicContact CG2-CD2 4.04Å; T276-L298 HydrophobicContact CG2-CG 3.83Å; I278-L298 HydrophobicContact CD1-CD2 3.96Å; E294-L298 WeakPolarHBondContact O-CB 3.31Å; E294-L298 PolarHBondContact O-N 3.29Å; T295-L298 PolarHBondContact O-N 3.17Å; S296-L298 PolarHBondContact O-N 3.3Å; L298-Y301 HydrophobicContact CD1-CD1 4.3Å; L298-Y301 PolarHBondContact O-N 2.9Å; L298-C302 PolarHBondContact O-N 3.23Å; L298-C302 PolarHBondContact O-SG 3.27Å
299M98.7Very high97.6Very high0 Ų032.9 Ų32.90%017%0.174CC..Hα-helixtrans-61-46.5173.3-74.1179.4173.800111.1M237 K245 V248 I267 T276 T295 S296 Y301 C302 L303M237-M299 HydrophobicContact CE-SD 4.34Å; K245-M299 HydrophobicContact CD-CB 4.33Å; K245-M299 HydrophobicContact CD-SD 3.81Å; V248-M299 HydrophobicContact CG2-CE 4.01Å; V248-M299 HydrophobicContact CG2-SD 3.83Å; I267-M299 HydrophobicContact CB-CE 4.02Å; I267-M299 HydrophobicContact CB-SD 3.85Å; I267-M299 HydrophobicContact CD1-SD 4.12Å; I267-M299 HydrophobicContact CG2-CB 4.28Å; I267-M299 HydrophobicContact CG2-CE 4.01Å; I267-M299 HydrophobicContact CG2-CG 3.81Å; I267-M299 HydrophobicContact CG2-SD 3.75Å; T276-M299 HydrophobicContact CG2-CG 3.64Å; T276-M299 WeakPolarHBondContact OG1-CE 3.31Å; T295-M299 HydrophobicContact CG2-CE 3.62Å; T295-M299 HydrophobicContact CG2-CG 4.28Å; T295-M299 HydrophobicContact CG2-SD 4.03Å; T295-M299 WeakPolarHBondContact O-CB 3.48Å; T295-M299 VanDerWaalsContact O-CG 3.26Å; T295-M299 WeakPolarHBondContact O-CG 3.5Å; T295-M299 PolarHBondContact O-N 2.89Å; S296-M299 PolarHBondContact O-N 3.08Å; M299-Y301 VanDerWaalsContact C-N 3.35Å; M299-Y301 PolarHBondContact O-N 3.5Å; M299-C302 PolarHBondContact O-N 2.84Å; M299-L303 WeakPolarHBondContact O-CB 3.46Å; M299-L303 WeakPolarHBondContact O-CG 3.45Å; M299-L303 PolarHBondContact O-N 2.65Å
300D98.1Very high97.5Very high54 Ų5435.8 Ų35.829%0.28919%0.19SC..Hα-helixtrans-63.8-40.6177.9-72.4-27.9000111.8K245 S296 N297 C302 L303 N304K245-D300 VanDerWaalsContact CE-OD1 3.28Å; K245-D300 WeakPolarHBondContact CE-OD1 3.45Å; K245-D300 IonicContact NZ-OD1 2.75Å; K245-D300 PolarHBondContact NZ-OD1 3.35Å; K245-D300 IonicContact NZ-OD2 2.98Å; K245-D300 PolarHBondContact NZ-OD2 3.48Å; S296-D300 WeakPolarHBondContact O-CB 3.33Å; S296-D300 PolarHBondContact O-N 2.88Å; N297-D300 PolarHBondContact O-N 2.72Å; D300-C302 PolarHBondContact O-N 2.81Å; D300-L303 PolarHBondContact O-N 3.3Å; D300-N304 WeakPolarHBondContact O-CB 3.37Å; D300-N304 PolarHBondContact O-N 2.98Å; D300-N304 PolarHBondContact O-ND2 2.89Å; D300-N304 VanDerWaalsContact O-ND2 3.12Å
301Y97.9Very high97.4Very high9 Ų936.7 Ų36.74%0.03520%0.195CC..Hα-helixtrans-57.6-48.1173.1164.9-91.1000111.2D30 F32 F50 F51 N297 L298 M299 L303 N305 W306 R347D30-Y301 WeakPolarHBondContact OD2-CE2 3.45Å; D30-Y301 PolarHBondContact OD2-OH 3.5Å; F32-Y301 HydrophobicContact CB-CD2 3.69Å; F32-Y301 HydrophobicContact CB-CE2 3.89Å; F32-Y301 HydrophobicContact CB-CG 4.44Å; F32-Y301 AromaticContact CD1-CD1 3.97Å; F32-Y301 HydrophobicContact CD1-CD1 3.97Å; F32-Y301 AromaticContact CD1-CD2 3.72Å; F32-Y301 HydrophobicContact CD1-CD2 3.72Å; F32-Y301 HydrophobicContact CD1-CE1 4.48Å; F32-Y301 HydrophobicContact CD1-CE2 4.28Å; F32-Y301 AromaticContact CD1-CG 3.58Å; F32-Y301 HydrophobicContact CD1-CG 3.58Å; F32-Y301 HydrophobicContact CD2-CD2 4.01Å; F32-Y301 HydrophobicContact CD2-CG 4.2Å; F32-Y301 HydrophobicContact CE1-CD1 4.15Å; F32-Y301 HydrophobicContact CE1-CD2 4.4Å; F32-Y301 AromaticContact CE1-CG 3.84Å; F32-Y301 HydrophobicContact CE1-CG 3.84Å; F32-Y301 HydrophobicContact CE2-CG 4.41Å; F32-Y301 AromaticContact CG-CD2 3.5Å; F32-Y301 HydrophobicContact CG-CD2 3.5Å; F32-Y301 HydrophobicContact CG-CE2 4.14Å; F32-Y301 AromaticContact CG-CG 3.79Å; F32-Y301 HydrophobicContact CG-CG 3.79Å; F32-Y301 HydrophobicContact CZ-CG 4.26Å; F50-Y301 WeakPolarHBondContact O-CE1 3.49Å; F50-Y301 PolarHBondContact O-OH 3.3Å; F51-Y301 HydrophobicContact CB-CD1 4.45Å; F51-Y301 HydrophobicContact CB-CE1 4.05Å; F51-Y301 HydrophobicContact CD2-CE1 4.15Å; N297-Y301 WeakPolarHBondContact O-CB 3.28Å; N297-Y301 PolarHBondContact O-N 3.34Å; L298-Y301 HydrophobicContact CD1-CD1 4.3Å; L298-Y301 PolarHBondContact O-N 2.9Å; M299-Y301 VanDerWaalsContact C-N 3.35Å; M299-Y301 PolarHBondContact O-N 3.5Å; Y301-L303 PolarHBondContact O-N 3.48Å; Y301-N305 HydrophobicContact CD2-CB 4.37Å; Y301-N305 VanDerWaalsContact CD2-ND2 3.29Å; Y301-N305 WeakPolarHBondContact CD2-ND2 3.31Å; Y301-N305 HydrophobicContact CE2-CB 4.13Å; Y301-N305 VanDerWaalsContact O-CB 3.27Å; Y301-N305 WeakPolarHBondContact O-CB 3.32Å; Y301-N305 PolarHBondContact O-N 3.45Å; Y301-N305 PolarHBondContact O-ND2 3.04Å; Y301-W306 AromaticContact CE1-NE1 3.76Å; Y301-W306 AromaticContact CZ-NE1 3.82Å; Y301-W306 PolarHBondContact OH-NE1 3Å; Y301-R347 WeakPolarHBondContact OH-CD 3.49Å; Y301-R347 PolarHBondContact OH-NH1 3.08Å
302C97.9Very high97.3Very high0 Ų036.2 Ų36.20%019%0.194CC..Hα-helixtrans-62.5-45.1178.7-65.20000111.9A41 F50 V274 L298 M299 D300 W306A41-C302 WeakPolarHBondContact CB-SG 3.24Å; F50-C302 HydrophobicContact CB-CB 4.44Å; F50-C302 HydrophobicContact CD2-CB 3.83Å; F50-C302 HydrophobicContact CG-CB 4.49Å; V274-C302 HydrophobicContact CG1-CB 3.91Å; V274-C302 HydrophobicContact CG2-CB 4.3Å; L298-C302 PolarHBondContact O-N 3.23Å; L298-C302 PolarHBondContact O-SG 3.27Å; M299-C302 PolarHBondContact O-N 2.84Å; D300-C302 PolarHBondContact O-N 2.81Å; C302-W306 WeakPolarHBondContact O-CB 3.18Å; C302-W306 PolarHBondContact O-N 3.42Å
303L97.2Very high97.1Very high10 Ų1040.3 Ų40.35%0.05222%0.22CC..Hα-helixtrans-69.9-36.9-176.7-67.8169.8000112.6I267 K269 R272 V274 M299 D300 Y301I267-L303 HydrophobicContact CD1-CD1 4.01Å; K269-L303 HydrophobicContact CB-CD2 4.1Å; K269-L303 HydrophobicContact CD-CD1 4.04Å; R272-L303 HydrophobicContact CG-CD2 4.48Å; R272-L303 VanDerWaalsContact CZ-O 3.32Å; R272-L303 VanDerWaalsContact NE-CD2 3.34Å; R272-L303 PolarHBondContact NH1-O 3.38Å; R272-L303 VanDerWaalsContact NH1-O 3.11Å; R272-L303 PolarHBondContact NH2-O 2.73Å; V274-L303 HydrophobicContact CG2-CD2 4.2Å; M299-L303 WeakPolarHBondContact O-CB 3.46Å; M299-L303 WeakPolarHBondContact O-CG 3.45Å; M299-L303 PolarHBondContact O-N 2.65Å; D300-L303 PolarHBondContact O-N 3.3Å; Y301-L303 PolarHBondContact O-N 3.48Å
304N96.6Very high97Very high111 Ų11140.9 Ų40.959%0.59423%0.23SC*.Hα-helixtrans-89.9-27.8-173.9-64.6-27.7000113.6D300 N348D300-N304 WeakPolarHBondContact O-CB 3.37Å; D300-N304 PolarHBondContact O-N 2.98Å; D300-N304 PolarHBondContact O-ND2 2.89Å; D300-N304 VanDerWaalsContact O-ND2 3.12Å; N304-N348 PolarHBondContact O-ND2 2.94Å; N304-N348 VanDerWaalsContact O-ND2 3.1Å
305N96.3Very high96.9Very high52 Ų5241.2 Ų41.228%0.27824%0.24SC..Hα-helixtrans-100.9-13.2-173.3-63.3-71.7000114.7Y301 R347 N348Y301-N305 HydrophobicContact CD2-CB 4.37Å; Y301-N305 VanDerWaalsContact CD2-ND2 3.29Å; Y301-N305 WeakPolarHBondContact CD2-ND2 3.31Å; Y301-N305 HydrophobicContact CE2-CB 4.13Å; Y301-N305 VanDerWaalsContact O-CB 3.27Å; Y301-N305 WeakPolarHBondContact O-CB 3.32Å; Y301-N305 PolarHBondContact O-N 3.45Å; Y301-N305 PolarHBondContact O-ND2 3.04Å; N305-R347 HydrophobicContact CB-CG 4.25Å; N305-R347 CarbonylContact O-C 3.53Å; N305-R347 WeakPolarHBondContact O-CA 3.38Å; N305-R347 WeakPolarHBondContact O-CG 3.43Å; N305-N348 WeakPolarHBondContact CA-ND2 3.41Å; N305-N348 PolarHBondContact O-N 3.16Å; N305-N348 PolarHBondContact O-OD1 3.31Å
306W96.4Very high96.8Very high3 Ų344 Ų441%0.01125%0.253CS..EExtended strand (participates in β ladder)trans-117.9135.8-179-64.681.3000111.7F50 R272 Y301 C302 W345 I346 R347 M350 L393F50-W306 HydrophobicContact CB-CD2 4.43Å; F50-W306 HydrophobicContact CB-CG 4.46Å; F50-W306 HydrophobicContact CB-CZ2 4.46Å; F50-W306 HydrophobicContact CD1-CB 4.17Å; F50-W306 AromaticContact CD1-CD2 3.39Å; F50-W306 HydrophobicContact CD1-CD2 3.39Å; F50-W306 AromaticContact CD1-CE2 3.74Å; F50-W306 AromaticContact CD1-CE3 3.7Å; F50-W306 HydrophobicContact CD1-CE3 3.7Å; F50-W306 AromaticContact CD1-CG 3.62Å; F50-W306 HydrophobicContact CD1-CG 3.62Å; F50-W306 HydrophobicContact CD1-CZ2 4.29Å; F50-W306 HydrophobicContact CD1-CZ3 4.26Å; F50-W306 HydrophobicContact CE1-CB 4.02Å; F50-W306 AromaticContact CE1-CD2 3.89Å; F50-W306 HydrophobicContact CE1-CD2 3.89Å; F50-W306 AromaticContact CE1-CE3 3.91Å; F50-W306 HydrophobicContact CE1-CE3 3.91Å; F50-W306 AromaticContact CE1-CG 3.96Å; F50-W306 HydrophobicContact CE1-CG 3.96Å; F50-W306 HydrophobicContact CG-CD2 4.15Å; F50-W306 HydrophobicContact CG-CG 4.07Å; F50-W306 HydrophobicContact CZ-CB 4.38Å; F50-W306 WeakPolarHBondContact O-CZ2 3.4Å; F50-W306 PolarHBondContact O-NE1 3.43Å; R272-W306 PolarHBondContact NH1-O 2.94Å; Y301-W306 AromaticContact CE1-NE1 3.76Å; Y301-W306 AromaticContact CZ-NE1 3.82Å; Y301-W306 PolarHBondContact OH-NE1 3Å; C302-W306 WeakPolarHBondContact O-CB 3.18Å; C302-W306 PolarHBondContact O-N 3.42Å; W306-W345 HydrophobicContact CB-CE3 4.09Å; W306-W345 HydrophobicContact CE3-CB 4.06Å; W306-W345 HydrophobicContact CZ3-CB 4.48Å; W306-I346 WeakPolarHBondContact CA-O 3.28Å; W306-R347 HydrophobicContact CD2-CB 3.91Å; W306-R347 HydrophobicContact CD2-CG 4.26Å; W306-R347 HydrophobicContact CE3-CB 3.97Å; W306-R347 HydrophobicContact CH2-CB 3.89Å; W306-R347 HydrophobicContact CZ2-CB 3.8Å; W306-R347 HydrophobicContact CZ2-CG 4.08Å; W306-R347 HydrophobicContact CZ3-CB 3.96Å; W306-M350 HydrophobicContact CH2-CE 4.17Å; W306-L393 HydrophobicContact CH2-CD1 4.15Å; W306-L393 HydrophobicContact CZ2-CD1 3.8Å
307S95.9Very high96.8Very high43 Ų4344.9 Ų44.930%0.30126%0.257SS..EExtended strand (participates in β ladder)trans-136.9150.1175.363.80000111W345 I346S307-W345 WeakPolarHBondContact O-CA 3.47Å; S307-I346 PolarHBondContact N-O 3.08Å; S307-I346 PolarHBondContact O-N 3.39Å
308Q94.8Very high96.6Very high93 Ų9341.4 Ų41.444%0.43524%0.238SC..EExtended strand (participates in β ladder)trans-87.5133.8172.2-76.9-175.3-18.100111.4K343 L344 W345Q308-K343 HydrophobicContact CB-CD 3.76Å; Q308-K343 HydrophobicContact CB-CG 3.85Å; Q308-K343 HydrophobicContact CG-CD 4.14Å; Q308-K343 HydrophobicContact CG-CG 4.27Å; Q308-K343 VanDerWaalsContact OE1-CD 3.23Å; Q308-L344 CarbonylContact C-O 3.54Å; Q308-L344 VanDerWaalsContact CA-O 3.29Å; Q308-L344 WeakPolarHBondContact CA-O 3.26Å; Q308-W345 HydrophobicContact CB-CE3 4.45Å; Q308-W345 HydrophobicContact CB-CZ3 4.43Å; Q308-W345 HydrophobicContact CG-CD2 3.42Å; Q308-W345 VanDerWaalsContact CG-CD2 3.42Å; Q308-W345 VanDerWaalsContact CG-CE2 3.4Å; Q308-W345 HydrophobicContact CG-CE3 3.59Å; Q308-W345 HydrophobicContact CG-CG 4.05Å; Q308-W345 HydrophobicContact CG-CH2 3.6Å; Q308-W345 HydrophobicContact CG-CZ2 3.52Å; Q308-W345 HydrophobicContact CG-CZ3 3.68Å; Q308-W345 VanDerWaalsContact NE2-CZ2 3.29Å
309Q95.1Very high96.4Very high80 Ų8045.7 Ų45.737%0.37427%0.265SS..EExtended strand (participates in β ladder)trans-135143.8174.1-56.3-176.323.700110.9V311 K343 L344 I346Q309-V311 PolarHBondContact O-N 2.89Å; Q309-K343 VanDerWaalsContact O-CA 3.32Å; Q309-K343 WeakPolarHBondContact O-CA 3.2Å; Q309-L344 PolarHBondContact N-O 3.25Å; Q309-L344 PolarHBondContact O-N 3.41Å; Q309-I346 HydrophobicContact CB-CD1 3.78Å; Q309-I346 HydrophobicContact CB-CG1 4.46Å; Q309-I346 HydrophobicContact CG-CD1 4.09Å
310D95.3Very high96.3Very high95 Ų9549.5 Ų49.551%0.50829%0.285SS..EExtended strand (participates in β ladder)trans-73.9113.3167.4-63.3-34.8000108.3K343D310-K343 WeakPolarHBondContact OD1-CE 3.32Å; D310-K343 IonicContact OD1-NZ 3.01Å; D310-K343 PolarHBondContact OD1-NZ 2.97Å; D310-K343 IonicContact OD2-NZ 3.85Å; D310-K343 PolarHBondContact OD2-NZ 3.31Å
311V95.9Very high96.1Very high22 Ų2249.1 Ų49.113%0.13328%0.281CS..  trans-97.7-11.9-177.4-620000112.6Q309 V342 L344 I346 P352 L355 V386Q309-V311 PolarHBondContact O-N 2.89Å; V311-V342 WeakPolarHBondContact CG2-O 3.49Å; V311-V342 PolarHBondContact N-O 3.27Å; V311-L344 HydrophobicContact CB-CD1 4.47Å; V311-L344 HydrophobicContact CG1-CB 4.14Å; V311-L344 HydrophobicContact CG1-CD1 4.16Å; V311-L344 HydrophobicContact CG1-CG 4.24Å; V311-L344 HydrophobicContact CG2-CB 4.42Å; V311-L344 HydrophobicContact CG2-CD1 3.67Å; V311-L344 HydrophobicContact CG2-CG 3.68Å; V311-I346 HydrophobicContact CG1-CD1 3.65Å; V311-P352 HydrophobicContact CG1-CB 4.4Å; V311-L355 HydrophobicContact CB-CD1 3.96Å; V311-L355 HydrophobicContact CB-CD2 3.9Å; V311-L355 HydrophobicContact CG1-CD2 4.28Å; V311-L355 HydrophobicContact CG2-CD1 4.14Å; V311-L355 HydrophobicContact CG2-CD2 3.94Å; V311-L355 WeakPolarHBondContact O-CD1 3.36Å; V311-V386 HydrophobicContact CG2-CG1 4Å
312T95.7Very high96.1Very high3 Ų355.5 Ų55.52%0.01831%0.308CS..SBendtrans-136162.8173.157.70000110.1M338 P341 V342 L355 V386T312-M338 HydrophobicContact CG2-CE 4.07Å; T312-M338 HydrophobicContact CG2-SD 3.79Å; T312-P341 WeakPolarHBondContact O-CA 3.18Å; T312-P341 VanDerWaalsContact O-CB 3.23Å; T312-P341 WeakPolarHBondContact O-CB 3.45Å; T312-V342 VanDerWaalsContact OG1-CB 3.31Å; T312-V342 WeakPolarHBondContact OG1-CB 3.38Å; T312-V342 PolarHBondContact OG1-N 2.78Å; T312-L355 HydrophobicContact CG2-CD1 4.27Å; T312-V386 HydrophobicContact CG2-CG1 4.43Å; T312-V386 HydrophobicContact CG2-CG2 4.45Å
313V96Very high96.1Very high98 Ų9860.6 Ų60.659%0.59433%0.332SS*.  trans-113.5150176.2-61.30000111.3G315 Q316V313-G315 PolarHBondContact O-N 3.22Å; V313-Q316 HydrophobicContact CG2-CB 3.96Å; V313-Q316 WeakPolarHBondContact O-CB 3.47Å; V313-Q316 PolarHBondContact O-N 3.05Å
314A96.4Very high96.1Very high62 Ų6260.3 Ų60.351%0.51233%0.331SS..THydrogen-bonded Turntrans-54.313617200000111Q316A314-Q316 VanDerWaalsContact C-N 3.26Å; A314-Q316 PolarHBondContact O-N 2.74Å
315G96.7Very high96.1Very high30 Ų3061.9 Ų61.931%0.30933%0.333SS..THydrogen-bonded Turntrans81.6-2.6-178.200000115V313 M338 K409V313-G315 PolarHBondContact O-N 3.22Å; G315-M338 PolarHBondContact N-O 3.17Å; G315-K409 PolarHBondContact O-NZ 2.92Å
316Q96.6Very high96.1Very high58 Ų5860.1 Ų60.127%0.27132%0.323SS..PPolyproline II helixtrans-61.6136174-179.5171.5-10.700110.5V313 A314 A337 M338V313-Q316 HydrophobicContact CG2-CB 3.96Å; V313-Q316 WeakPolarHBondContact O-CB 3.47Å; V313-Q316 PolarHBondContact O-N 3.05Å; A314-Q316 VanDerWaalsContact C-N 3.26Å; A314-Q316 PolarHBondContact O-N 2.74Å; Q316-A337 CarbonylContact O-C 3.44Å; Q316-A337 VanDerWaalsContact O-CA 3.32Å; Q316-A337 WeakPolarHBondContact O-CA 3.1Å; Q316-M338 HydrophobicContact CB-SD 4.21Å; Q316-M338 HydrophobicContact CG-SD 4.36Å; Q316-M338 PolarHBondContact O-N 2.79Å
317T97.4Very high96Very high47 Ų4762.4 Ų62.429%0.28834%0.338SS..PPolyproline II helixtrans-80.9126.3176.2-63.50000109.6K322 L336T317-K322 HydrophobicContact CG2-CB 3.78Å; T317-K322 HydrophobicContact CG2-CG 3.86Å; T317-L336 PolarHBondContact OG1-O 2.84Å
318P95.9Very high95.9Very high0 Ų062.6 Ų62.60%034%0.336CS..PPolyproline II helixtrans-62.814117620.3-25.8000111K321 M338 I357 V384 L406P318-K321 WeakPolarHBondContact CG-O 3.48Å; P318-M338 HydrophobicContact CB-CE 4.16Å; P318-I357 HydrophobicContact CB-CG2 3.88Å; P318-V384 HydrophobicContact CB-CG1 4.4Å; P318-V384 HydrophobicContact CB-CG2 4.35Å; P318-V384 HydrophobicContact CG-CG2 4.33Å; P318-L406 HydrophobicContact CG-CD1 3.7Å
319T94.3Very high95.8Very high90 Ų9058.3 Ų58.355%0.55232%0.316SS*.SBendtrans-73-32.4-170.547.90000113I357T319-I357 HydrophobicContact CG2-CD1 4.14Å
320D95.2Very high95.8Very high80 Ų8059.8 Ų59.843%0.42832%0.321SS..SBendtrans-82.6-23.8-178.771.4-37.6000113.2T359D320-T359 PolarHBondContact OD1-OG1 3.47Å; D320-T359 WeakPolarHBondContact OD2-CB 3.45Å; D320-T359 PolarHBondContact OD2-N 2.97Å; D320-T359 PolarHBondContact OD2-OG1 3.11Å
321K95.7Very high95.7Very high46 Ų4661 Ų6120%0.232%0.322CS..  trans-146.787.1-178.1-162.5166.9-173.8-740114P318 L336 T359 L361P318-K321 WeakPolarHBondContact CG-O 3.48Å; K321-L336 HydrophobicContact CD-CD1 4.49Å; K321-L336 HydrophobicContact CG-CD1 4.09Å; K321-T359 HydrophobicContact CB-CG2 4.01Å; K321-T359 HydrophobicContact CD-CG2 3.88Å; K321-T359 HydrophobicContact CG-CG2 4.45Å; K321-L361 HydrophobicContact CD-CD1 4.38Å; K321-L361 HydrophobicContact CD-CD2 4.25Å; K321-L361 HydrophobicContact CD-CG 4.3Å; K321-L361 VanDerWaalsContact CE-CD1 3.43Å
322K97Very high95.6Very high142 Ų14268.2 Ų68.262%0.61735%0.351SS*.  trans-75.1-28.6-172.7-60179.2-177.9175.60115T317 L336T317-K322 HydrophobicContact CG2-CB 3.78Å; T317-K322 HydrophobicContact CG2-CG 3.86Å; K322-L336 PolarHBondContact O-N 2.99Å
323E97.4Very high95.7Very high107 Ų10770.3 Ų70.350%0.536%0.364SS..EExtended strand (participates in β ladder)trans-147165.5-175.660.3179.5-17000111.9T333 V334E323-T333 HydrophobicContact CG-CG2 4.43Å; E323-T333 VanDerWaalsContact OE2-CB 3.31Å; E323-T333 WeakPolarHBondContact OE2-CB 3.34Å; E323-T333 PolarHBondContact OE2-OG1 3.38Å; E323-V334 CarbonylContact C-O 3.5Å; E323-V334 VanDerWaalsContact CA-O 3.23Å; E323-V334 WeakPolarHBondContact CA-O 3.35Å; E323-V334 WeakPolarHBondContact CB-O 3.29Å
324L97.2Very high95.8Very high5 Ų565.7 Ų65.73%0.02634%0.337CS..EExtended strand (participates in β ladder)trans-125.1142.4173.1-178.666.3000109.3T333 V334 L336 L361 L366 N369 I371 I381L324-T333 CarbonylContact O-C 3.41Å; L324-T333 WeakPolarHBondContact O-CA 3.17Å; L324-T333 WeakPolarHBondContact O-CB 3.22Å; L324-V334 HydrophobicContact CB-CG1 4.15Å; L324-V334 PolarHBondContact N-O 2.86Å; L324-V334 PolarHBondContact O-N 2.8Å; L324-L336 HydrophobicContact CB-CD1 4.18Å; L324-L336 HydrophobicContact CB-CD2 4.01Å; L324-L336 HydrophobicContact CB-CG 4.34Å; L324-L361 HydrophobicContact CD1-CD1 4.24Å; L324-L361 HydrophobicContact CD1-CD2 4.42Å; L324-L366 HydrophobicContact CD1-CD1 4.33Å; L324-L366 HydrophobicContact CD1-CD2 4.42Å; L324-L366 HydrophobicContact CD2-CD2 3.67Å; L324-N369 WeakPolarHBondContact CD1-O 3.46Å; L324-I371 HydrophobicContact CD2-CB 3.82Å; L324-I371 HydrophobicContact CD2-CG2 3.78Å; L324-I371 HydrophobicContact CG-CG2 4.28Å; L324-I381 HydrophobicContact CD2-CD1 3.8Å; L324-I381 HydrophobicContact CD2-CG2 4.44Å
325K97.2Very high95.8Very high144 Ų14464.6 Ų64.663%0.62633%0.327SS*.EExtended strand (participates in β ladder)trans-65.1145174.3-69-179-179.2177.60110.4K332 A370 I371K325-K332 WeakPolarHBondContact CA-O 3.47Å; K325-A370 HydrophobicContact CB-CB 3.72Å; K325-A370 CarbonylContact O-C 3.58Å; K325-A370 VanDerWaalsContact O-CA 3.28Å; K325-A370 WeakPolarHBondContact O-CA 3.23Å; K325-A370 WeakPolarHBondContact O-CB 3.4Å; K325-I371 PolarHBondContact O-N 3.45Å
326V96.4Very high95.9Very high14 Ų1463.2 Ų63.29%0.08531%0.313CS..EExtended strand (participates in β ladder)trans-120.6124.6177-176.80000109.3K332 V334 I371 A373 V375 V412V326-K332 PolarHBondContact N-O 3.16Å; V326-V334 HydrophobicContact CG2-CB 3.83Å; V326-V334 HydrophobicContact CG2-CG1 3.74Å; V326-I371 CarbonylContact C-O 3.55Å; V326-I371 VanDerWaalsContact CA-O 3.26Å; V326-I371 WeakPolarHBondContact CA-O 3.5Å; V326-I371 HydrophobicContact CB-CG2 4.48Å; V326-I371 HydrophobicContact CG2-CG2 3.87Å; V326-A373 HydrophobicContact CG1-CB 4.01Å; V326-V375 HydrophobicContact CG1-CG2 3.92Å; V326-V375 HydrophobicContact CG2-CG2 4.28Å; V326-V412 HydrophobicContact CG1-CB 4.39Å; V326-V412 HydrophobicContact CG1-CG1 3.97Å; V326-V412 HydrophobicContact CG2-CG2 4.34Å
327T93.8Very high96Very high51 Ų5160.6 Ų60.631%0.31330%0.301SS..EExtended strand (participates in β ladder)trans-91.2145.5171.6-58.80000109.3G329 A370 I371 A373T327-G329 PolarHBondContact O-N 3Å; T327-A370 WeakPolarHBondContact OG1-CB 3.41Å; T327-I371 PolarHBondContact N-O 3.4Å; T327-A373 WeakPolarHBondContact O-CB 3.36Å; T327-A373 PolarHBondContact O-N 3.13Å
328D93.1Very high96Very high48 Ų4858.4 Ų58.426%0.25729%0.288SS..SBendtrans58.813.6-179.6-70-0.6000115.7K414 A415 L420D328-K414 HydrophobicContact CB-CG 4.47Å; D328-K414 CarbonylContact O-C 3.57Å; D328-K414 WeakPolarHBondContact O-CA 3.3Å; D328-K414 WeakPolarHBondContact O-CG 3.44Å; D328-A415 WeakPolarHBondContact O-CB 3.49Å; D328-A415 PolarHBondContact O-N 2.87Å; D328-L420 HydrophobicContact CB-CD2 3.73Å; D328-L420 WeakPolarHBondContact OD1-CD2 3.41Å
329G94.3Very high96.1Very high2 Ų262.1 Ų62.12%0.02131%0.305CS..BIsolated β-bridgetrans-91.7155-177.900000114.2T327 K331 E413 Q423T327-G329 PolarHBondContact O-N 3Å; G329-K331 PolarHBondContact O-N 2.89Å; G329-E413 WeakPolarHBondContact CA-O 3.35Å; G329-Q423 PolarHBondContact O-NE2 3.18Å
330K93.8Very high96.2Very high111 Ų11163.9 Ų63.948%0.48331%0.305SS..SBendtrans-62.4-22.6165.1-70.7-172.4-179171.10112.6E413K330-E413 HydrophobicContact CD-CB 4.09Å; K330-E413 WeakPolarHBondContact CE-OE2 3.27Å; K330-E413 HydrophobicContact CG-CB 4.43Å; K330-E413 PolarHBondContact N-O 3.4Å; K330-E413 IonicContact NZ-OE2 2.69Å; K330-E413 PolarHBondContact NZ-OE2 3.49Å
331K93.7Very high96.3Very high122 Ų12263.1 Ų63.153%0.5331%0.305SS..SBendtrans-116146.9171.2-64.6178.3178.1174.50109.2G329 V412G329-K331 PolarHBondContact O-N 2.89Å; K331-V412 HydrophobicContact CB-CG1 3.88Å; K331-V412 HydrophobicContact CB-CG2 4.39Å; K331-V412 HydrophobicContact CD-CG2 4.42Å
332K94Very high96.3Very high172 Ų17261.2 Ų61.275%0.74830%0.297SS*.SBendtrans-80.1-18.6178.2-64.4-173176.9-174.60113.6K325 V326K325-K332 WeakPolarHBondContact CA-O 3.47Å; V326-K332 PolarHBondContact N-O 3.16Å
333T97Very high96.2Very high47 Ų4758.9 Ų58.929%0.28829%0.287SS..EExtended strand (participates in β ladder)trans-141157.6178.765.10000111.1E323 L324E323-T333 HydrophobicContact CG-CG2 4.43Å; E323-T333 VanDerWaalsContact OE2-CB 3.31Å; E323-T333 WeakPolarHBondContact OE2-CB 3.34Å; E323-T333 PolarHBondContact OE2-OG1 3.38Å; L324-T333 CarbonylContact O-C 3.41Å; L324-T333 WeakPolarHBondContact O-CA 3.17Å; L324-T333 WeakPolarHBondContact O-CB 3.22Å
334V97.7Very high96.1Very high2 Ų254.1 Ų54.11%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-124.6130170.563.10000109E323 L324 V326 I371 V375 T408 S410 V412E323-V334 CarbonylContact C-O 3.5Å; E323-V334 VanDerWaalsContact CA-O 3.23Å; E323-V334 WeakPolarHBondContact CA-O 3.35Å; E323-V334 WeakPolarHBondContact CB-O 3.29Å; L324-V334 HydrophobicContact CB-CG1 4.15Å; L324-V334 PolarHBondContact N-O 2.86Å; L324-V334 PolarHBondContact O-N 2.8Å; V326-V334 HydrophobicContact CG2-CB 3.83Å; V326-V334 HydrophobicContact CG2-CG1 3.74Å; V334-I371 HydrophobicContact CG1-CG2 4.21Å; V334-V375 HydrophobicContact CG1-CG1 4.48Å; V334-V375 HydrophobicContact CG2-CG1 4.4Å; V334-T408 HydrophobicContact CG1-CG2 3.99Å; V334-T408 HydrophobicContact CG2-CG2 4.1Å; V334-S410 VanDerWaalsContact CG2-O 3.25Å; V334-S410 WeakPolarHBondContact CG2-O 3.43Å; V334-V412 HydrophobicContact CB-CG2 3.84Å; V334-V412 HydrophobicContact CG2-CG2 3.96Å
335A98.1Very high96.1Very high39 Ų3954.6 Ų54.632%0.32227%0.266SS..EExtended strand (participates in β ladder)trans-67.1144.6176.700000110.6K409A335-K409 HydrophobicContact CB-CB 4.08Å; A335-K409 HydrophobicContact CB-CD 4.38Å; A335-K409 VanDerWaalsContact O-CB 3.3Å; A335-K409 WeakPolarHBondContact O-CB 3.47Å; A335-K409 PolarHBondContact O-N 3.31Å
336L98.3Very high96Very high0 Ų047.9 Ų47.90%024%0.237CC..EExtended strand (participates in β ladder)trans-105156.7179.4-56.6-179.6000111.6T317 K321 K322 L324 I381 L406 V407 T408T317-L336 PolarHBondContact OG1-O 2.84Å; K321-L336 HydrophobicContact CD-CD1 4.49Å; K321-L336 HydrophobicContact CG-CD1 4.09Å; K322-L336 PolarHBondContact O-N 2.99Å; L324-L336 HydrophobicContact CB-CD1 4.18Å; L324-L336 HydrophobicContact CB-CD2 4.01Å; L324-L336 HydrophobicContact CB-CG 4.34Å; L336-I381 HydrophobicContact CD1-CD1 3.7Å; L336-I381 HydrophobicContact CD2-CD1 3.3Å; L336-I381 HydrophobicContact CD2-CG1 4.17Å; L336-I381 HydrophobicContact CG-CD1 4.1Å; L336-L406 HydrophobicContact CB-CD1 3.98Å; L336-L406 HydrophobicContact CD1-CD1 4.13Å; L336-L406 HydrophobicContact CD1-CD2 4.08Å; L336-L406 HydrophobicContact CD1-CG 4.31Å; L336-V407 CarbonylContact C-O 3.55Å; L336-V407 WeakPolarHBondContact CA-O 3.24Å; L336-T408 HydrophobicContact CD2-CG2 4.48Å
337A98Very high96Very high4 Ų448.9 Ų48.93%0.03324%0.239CC..EExtended strand (participates in β ladder)trans-147.4153.1178.100000111.3Q316 V407 K409Q316-A337 CarbonylContact O-C 3.44Å; Q316-A337 VanDerWaalsContact O-CA 3.32Å; Q316-A337 WeakPolarHBondContact O-CA 3.1Å; A337-V407 HydrophobicContact CB-CG2 4.34Å; A337-V407 PolarHBondContact N-O 2.78Å; A337-V407 WeakPolarHBondContact O-CG2 3.39Å; A337-V407 PolarHBondContact O-N 3.14Å; A337-K409 HydrophobicContact CB-CB 4.33Å; A337-K409 HydrophobicContact CB-CD 4.37Å; A337-K409 HydrophobicContact CB-CG 4.39Å
338M97.9Very high96Very high0 Ų051.5 Ų51.50%025%0.251CS..EExtended strand (participates in β ladder)trans-73.4127.4162.9-67164.9175.400108.6T312 G315 Q316 P318 I357 V384 V386 T404T312-M338 HydrophobicContact CG2-CE 4.07Å; T312-M338 HydrophobicContact CG2-SD 3.79Å; G315-M338 PolarHBondContact N-O 3.17Å; Q316-M338 HydrophobicContact CB-SD 4.21Å; Q316-M338 HydrophobicContact CG-SD 4.36Å; Q316-M338 PolarHBondContact O-N 2.79Å; P318-M338 HydrophobicContact CB-CE 4.16Å; M338-I357 HydrophobicContact CE-CD1 3.93Å; M338-I357 HydrophobicContact CE-CG1 4.21Å; M338-I357 HydrophobicContact CE-CG2 3.71Å; M338-V384 HydrophobicContact CE-CB 4.47Å; M338-V384 HydrophobicContact CE-CG1 3.59Å; M338-V384 HydrophobicContact CG-CB 4.38Å; M338-V384 HydrophobicContact CG-CG1 4.46Å; M338-V384 HydrophobicContact CG-CG2 4.2Å; M338-V386 HydrophobicContact CE-CG2 4.08Å; M338-T404 HydrophobicContact CB-CG2 3.75Å; M338-T404 HydrophobicContact CG-CG2 3.77Å
339E97.6Very high96Very high79 Ų7952.5 Ų52.537%0.36926%0.256SS..SBendtrans-63.5-47.3-179-169.3-167.3-150.700111.9D405 V407E339-D405 HydrophobicContact CB-CB 4.04Å; E339-D405 PolarHBondContact N-O 2.81Å; E339-V407 HydrophobicContact CB-CG1 3.98Å; E339-V407 HydrophobicContact CB-CG2 4.22Å; E339-V407 HydrophobicContact CG-CG1 4.27Å
340K96.8Very high96Very high127 Ų12753.1 Ų53.155%0.55226%0.259SS*.SBendtrans-122.9156.6-173.7-66.5178.7-171.9171.70110.7T404K340-T404 PolarHBondContact N-OG1 2.93Å; K340-T404 VanDerWaalsContact N-OG1 3.15Å; K340-T404 PolarHBondContact O-OG1 3.28Å
341P96.3Very high96.1Very high64 Ų6451.4 Ų51.442%0.41626%0.255SS..PPolyproline II helixtrans-61.6143.4167.430.1-35.4000109.5T312T312-P341 WeakPolarHBondContact O-CA 3.18Å; T312-P341 VanDerWaalsContact O-CB 3.23Å; T312-P341 WeakPolarHBondContact O-CB 3.45Å
342V96.1Very high96Very high6 Ų647.5 Ų47.54%0.03624%0.242CC..PPolyproline II helixtrans-99.2124.8171.6-178.50000109V311 T312 L344 V386 A402 T404V311-V342 WeakPolarHBondContact CG2-O 3.49Å; V311-V342 PolarHBondContact N-O 3.27Å; T312-V342 VanDerWaalsContact OG1-CB 3.31Å; T312-V342 WeakPolarHBondContact OG1-CB 3.38Å; T312-V342 PolarHBondContact OG1-N 2.78Å; V342-L344 HydrophobicContact CG1-CD2 4.21Å; V342-V386 HydrophobicContact CB-CB 4.37Å; V342-V386 HydrophobicContact CB-CG2 4.17Å; V342-V386 HydrophobicContact CG1-CB 3.96Å; V342-V386 HydrophobicContact CG1-CG2 4.23Å; V342-V386 HydrophobicContact CG2-CG2 3.87Å; V342-A402 HydrophobicContact CG1-CB 3.48Å; V342-A402 VanDerWaalsContact CG1-CB 3.48Å; V342-T404 HydrophobicContact CG2-CG2 3.53Å
343K94.8Very high96Very high93 Ų9347.9 Ų47.940%0.40424%0.244SC..EExtended strand (participates in β ladder)trans-98.6131.9174.9-169.7178.4-64.8-59.40109.1Q308 Q309 D310Q308-K343 HydrophobicContact CB-CD 3.76Å; Q308-K343 HydrophobicContact CB-CG 3.85Å; Q308-K343 HydrophobicContact CG-CD 4.14Å; Q308-K343 HydrophobicContact CG-CG 4.27Å; Q308-K343 VanDerWaalsContact OE1-CD 3.23Å; Q309-K343 VanDerWaalsContact O-CA 3.32Å; Q309-K343 WeakPolarHBondContact O-CA 3.2Å; D310-K343 WeakPolarHBondContact OD1-CE 3.32Å; D310-K343 IonicContact OD1-NZ 3.01Å; D310-K343 PolarHBondContact OD1-NZ 2.97Å; D310-K343 IonicContact OD2-NZ 3.85Å; D310-K343 PolarHBondContact OD2-NZ 3.31Å
344L96.3Very high95.8Very high6 Ų649 Ų493%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-121.3147.9175.6-65.5-175000110.3Q308 Q309 V311 V342 I346 L355 V386 L388 A402Q308-L344 CarbonylContact C-O 3.54Å; Q308-L344 VanDerWaalsContact CA-O 3.29Å; Q308-L344 WeakPolarHBondContact CA-O 3.26Å; Q309-L344 PolarHBondContact N-O 3.25Å; Q309-L344 PolarHBondContact O-N 3.41Å; V311-L344 HydrophobicContact CB-CD1 4.47Å; V311-L344 HydrophobicContact CG1-CB 4.14Å; V311-L344 HydrophobicContact CG1-CD1 4.16Å; V311-L344 HydrophobicContact CG1-CG 4.24Å; V311-L344 HydrophobicContact CG2-CB 4.42Å; V311-L344 HydrophobicContact CG2-CD1 3.67Å; V311-L344 HydrophobicContact CG2-CG 3.68Å; V342-L344 HydrophobicContact CG1-CD2 4.21Å; L344-I346 HydrophobicContact CB-CG1 4.21Å; L344-L355 HydrophobicContact CD1-CD2 4Å; L344-V386 HydrophobicContact CD1-CG1 4.31Å; L344-L388 HydrophobicContact CD1-CD1 4.48Å; L344-L388 HydrophobicContact CD1-CG 3.97Å; L344-A402 HydrophobicContact CD2-CB 3.32Å
345W96Very high95.7Very high15 Ų1550.8 Ų50.86%0.05726%0.258CS..EExtended strand (participates in β ladder)trans-75.8127.2160.1-76.5111.6000109.6D43 K48 F50 R272 W306 S307 Q308D43-W345 WeakPolarHBondContact OD1-CZ2 3.47Å; D43-W345 PolarHBondContact OD2-NE1 3.22Å; K48-W345 HydrophobicContact CB-CB 4.38Å; K48-W345 HydrophobicContact CB-CG 4.3Å; K48-W345 HydrophobicContact CD-CB 4.34Å; K48-W345 HydrophobicContact CG-CB 3.8Å; K48-W345 HydrophobicContact CG-CG 4.21Å; F50-W345 HydrophobicContact CE1-CB 3.88Å; F50-W345 AromaticContact CE1-CD2 3.71Å; F50-W345 HydrophobicContact CE1-CD2 3.71Å; F50-W345 HydrophobicContact CE1-CE3 4.05Å; F50-W345 AromaticContact CE1-CG 3.64Å; F50-W345 HydrophobicContact CE1-CG 3.64Å; F50-W345 AromaticContact CZ-CD2 3.57Å; F50-W345 HydrophobicContact CZ-CD2 3.57Å; F50-W345 AromaticContact CZ-CE2 3.74Å; F50-W345 AromaticContact CZ-CE3 3.85Å; F50-W345 HydrophobicContact CZ-CE3 3.85Å; F50-W345 AromaticContact CZ-CG 3.94Å; F50-W345 HydrophobicContact CZ-CG 3.94Å; F50-W345 HydrophobicContact CZ-CZ2 4.23Å; F50-W345 HydrophobicContact CZ-CZ3 4.33Å; R272-W345 HydrophobicContact CB-CH2 3.79Å; R272-W345 HydrophobicContact CB-CZ2 3.94Å; R272-W345 HydrophobicContact CG-CH2 4.19Å; W306-W345 HydrophobicContact CB-CE3 4.09Å; W306-W345 HydrophobicContact CE3-CB 4.06Å; W306-W345 HydrophobicContact CZ3-CB 4.48Å; S307-W345 WeakPolarHBondContact O-CA 3.47Å; Q308-W345 HydrophobicContact CB-CE3 4.45Å; Q308-W345 HydrophobicContact CB-CZ3 4.43Å; Q308-W345 HydrophobicContact CG-CD2 3.42Å; Q308-W345 VanDerWaalsContact CG-CD2 3.42Å; Q308-W345 VanDerWaalsContact CG-CE2 3.4Å; Q308-W345 HydrophobicContact CG-CE3 3.59Å; Q308-W345 HydrophobicContact CG-CG 4.05Å; Q308-W345 HydrophobicContact CG-CH2 3.6Å; Q308-W345 HydrophobicContact CG-CZ2 3.52Å; Q308-W345 HydrophobicContact CG-CZ3 3.68Å; Q308-W345 VanDerWaalsContact NE2-CZ2 3.29Å
346I95.9Very high95.5Very high3 Ų352.7 Ų52.72%0.01527%0.265CS..EExtended strand (participates in β ladder)trans-127.6124.2-173.9-46.8-166.7000108W306 S307 Q309 V311 L344 M350 P352 L388W306-I346 WeakPolarHBondContact CA-O 3.28Å; S307-I346 PolarHBondContact N-O 3.08Å; S307-I346 PolarHBondContact O-N 3.39Å; Q309-I346 HydrophobicContact CB-CD1 3.78Å; Q309-I346 HydrophobicContact CB-CG1 4.46Å; Q309-I346 HydrophobicContact CG-CD1 4.09Å; V311-I346 HydrophobicContact CG1-CD1 3.65Å; L344-I346 HydrophobicContact CB-CG1 4.21Å; I346-M350 HydrophobicContact CG2-CB 3.94Å; I346-P352 HydrophobicContact CD1-CB 3.55Å; I346-L388 HydrophobicContact CB-CD1 4.2Å; I346-L388 HydrophobicContact CD1-CD1 4.21Å; I346-L388 HydrophobicContact CG1-CD1 3.85Å; I346-L388 HydrophobicContact CG2-CD1 3.9Å
347R95.9Very high95.4Very high36 Ų3653.5 Ų53.514%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-76.1146.8172.1-163.3173.763.5-175.2-2.4109.8D30 Y301 N305 W306 D349 M350D30-R347 IonicContact OD2-CZ 3.36Å; D30-R347 IonicContact OD2-NE 2.89Å; D30-R347 IonicContact OD2-NH1 3.41Å; D30-R347 PolarHBondContact OD2-NH1 3.32Å; Y301-R347 WeakPolarHBondContact OH-CD 3.49Å; Y301-R347 PolarHBondContact OH-NH1 3.08Å; N305-R347 HydrophobicContact CB-CG 4.25Å; N305-R347 CarbonylContact O-C 3.53Å; N305-R347 WeakPolarHBondContact O-CA 3.38Å; N305-R347 WeakPolarHBondContact O-CG 3.43Å; W306-R347 HydrophobicContact CD2-CB 3.91Å; W306-R347 HydrophobicContact CD2-CG 4.26Å; W306-R347 HydrophobicContact CE3-CB 3.97Å; W306-R347 HydrophobicContact CH2-CB 3.89Å; W306-R347 HydrophobicContact CZ2-CB 3.8Å; W306-R347 HydrophobicContact CZ2-CG 4.08Å; W306-R347 HydrophobicContact CZ3-CB 3.96Å; R347-D349 WeakPolarHBondContact CB-OD1 3.1Å; R347-D349 VanDerWaalsContact CG-OD1 3.3Å; R347-D349 WeakPolarHBondContact CG-OD1 3.26Å; R347-D349 IonicContact CZ-OD1 2.72Å; R347-D349 IonicContact CZ-OD2 2.93Å; R347-D349 IonicContact NE-OD1 2.88Å; R347-D349 PolarHBondContact NE-OD1 2.93Å; R347-D349 IonicContact NE-OD2 2.63Å; R347-D349 PolarHBondContact NE-OD2 3.3Å; R347-D349 IonicContact NH2-OD1 3.71Å; R347-D349 IonicContact NH2-OD2 2.7Å; R347-D349 PolarHBondContact NH2-OD2 3.28Å; R347-D349 PolarHBondContact O-N 2.85Å; R347-M350 HydrophobicContact CB-CE 3.99Å; R347-M350 HydrophobicContact CB-CG 4.24Å; R347-M350 HydrophobicContact CB-SD 4.09Å; R347-M350 WeakPolarHBondContact O-CB 3.49Å; R347-M350 PolarHBondContact O-N 3Å
348N94.6Very high95.3Very high106 Ų10659.8 Ų59.857%0.56730%0.296SS*.THydrogen-bonded Turntrans-55.2-22.4-172.9-71.3-18.2000115.3N304 N305N304-N348 PolarHBondContact O-ND2 2.94Å; N304-N348 VanDerWaalsContact O-ND2 3.1Å; N305-N348 WeakPolarHBondContact CA-ND2 3.41Å; N305-N348 PolarHBondContact O-N 3.16Å; N305-N348 PolarHBondContact O-OD1 3.31Å
349D92.7Very high95.2Very high68 Ų6860.7 Ų60.736%0.36430%0.301SS..THydrogen-bonded Turntrans-89.2-6.6178.566.8-36.5000114.2R347R347-D349 WeakPolarHBondContact CB-OD1 3.1Å; R347-D349 VanDerWaalsContact CG-OD1 3.3Å; R347-D349 WeakPolarHBondContact CG-OD1 3.26Å; R347-D349 IonicContact CZ-OD1 2.72Å; R347-D349 IonicContact CZ-OD2 2.93Å; R347-D349 IonicContact NE-OD1 2.88Å; R347-D349 PolarHBondContact NE-OD1 2.93Å; R347-D349 IonicContact NE-OD2 2.63Å; R347-D349 PolarHBondContact NE-OD2 3.3Å; R347-D349 IonicContact NH2-OD1 3.71Å; R347-D349 IonicContact NH2-OD2 2.7Å; R347-D349 PolarHBondContact NH2-OD2 3.28Å; R347-D349 PolarHBondContact O-N 2.85Å
350M94.8Very high95.2Very high16 Ų1660.2 Ų60.28%0.07930%0.304CS..SBendtrans-95.7143.7-177.7-59.9179.2-175.100112W306 I346 R347 L388 Q390 D391W306-M350 HydrophobicContact CH2-CE 4.17Å; I346-M350 HydrophobicContact CG2-CB 3.94Å; R347-M350 HydrophobicContact CB-CE 3.99Å; R347-M350 HydrophobicContact CB-CG 4.24Å; R347-M350 HydrophobicContact CB-SD 4.09Å; R347-M350 WeakPolarHBondContact O-CB 3.49Å; R347-M350 PolarHBondContact O-N 3Å; M350-L388 HydrophobicContact CB-CD1 4.47Å; M350-L388 HydrophobicContact SD-CD1 4.25Å; M350-Q390 HydrophobicContact CG-CB 4.19Å; M350-D391 HydrophobicContact CE-CB 4.27Å; M350-D391 HydrophobicContact SD-CB 4.15Å
351D94.5Very high95.2Very high74 Ų7455.4 Ų55.440%0.39628%0.284SS..  trans-87115.9174-179.4-2000110.5K353 N354 L388D351-K353 PolarHBondContact O-N 2.93Å; D351-K353 WeakPolarHBondContact OD1-CB 2.94Å; D351-K353 PolarHBondContact OD1-N 3.04Å; D351-N354 HydrophobicContact CB-CB 4.4Å; D351-N354 PolarHBondContact O-N 3.08Å; D351-N354 VanDerWaalsContact O-N 3.08Å; D351-L388 VanDerWaalsContact O-CD2 3.24Å; D351-L388 WeakPolarHBondContact O-CD2 3.42Å
352P93.3Very high95.1Very high40 Ų4055.7 Ų55.726%0.2628%0.282SS..THydrogen-bonded Turntrans-59.5-15.3179.425.2-35.9000114.5V311 I346 L355V311-P352 HydrophobicContact CG1-CB 4.4Å; I346-P352 HydrophobicContact CD1-CB 3.55Å; P352-L355 WeakPolarHBondContact O-CD2 3.45Å
353K93Very high95Very high180 Ų18060.9 Ų60.978%0.78331%0.306SS*.THydrogen-bonded Turntrans-88.7-16.3-179.5-61.9174.4-176.6170.10113.4D351 L355D351-K353 PolarHBondContact O-N 2.93Å; D351-K353 WeakPolarHBondContact OD1-CB 2.94Å; D351-K353 PolarHBondContact OD1-N 3.04Å; K353-L355 PolarHBondContact O-N 3.15Å
354N93.6Very high95Very high72 Ų7261.2 Ų61.239%0.38532%0.32SS..  trans-83.668.2-177-166.96000111.2D351 A389D351-N354 HydrophobicContact CB-CB 4.4Å; D351-N354 PolarHBondContact O-N 3.08Å; D351-N354 VanDerWaalsContact O-N 3.08Å; N354-A389 PolarHBondContact O-N 2.76Å
355L94.8Very high94.8Very high39 Ų3964.7 Ų64.720%0.20434%0.338CS..EExtended strand (participates in β ladder)trans-94.7139.7-173-57.8173.6000112.4V311 T312 L344 P352 K353 I357 V386 A387 L388V311-L355 HydrophobicContact CB-CD1 3.96Å; V311-L355 HydrophobicContact CB-CD2 3.9Å; V311-L355 HydrophobicContact CG1-CD2 4.28Å; V311-L355 HydrophobicContact CG2-CD1 4.14Å; V311-L355 HydrophobicContact CG2-CD2 3.94Å; V311-L355 WeakPolarHBondContact O-CD1 3.36Å; T312-L355 HydrophobicContact CG2-CD1 4.27Å; L344-L355 HydrophobicContact CD1-CD2 4Å; P352-L355 WeakPolarHBondContact O-CD2 3.45Å; K353-L355 PolarHBondContact O-N 3.15Å; L355-I357 HydrophobicContact CB-CG1 4.38Å; L355-V386 HydrophobicContact CB-CG1 4.43Å; L355-V386 HydrophobicContact CD1-CG1 4.22Å; L355-V386 HydrophobicContact CD2-CG1 4.04Å; L355-V386 HydrophobicContact CG-CG1 4.47Å; L355-A387 CarbonylContact C-O 3.55Å; L355-A387 WeakPolarHBondContact CA-O 3.43Å; L355-L388 HydrophobicContact CD2-CD2 3.76Å; L355-L388 HydrophobicContact CD2-CG 4.31Å
356T94.2Very high94.6Very high78 Ų7865 Ų6548%0.47934%0.341SS..EExtended strand (participates in β ladder)trans-96.3121.9158.3-59.90000108.4V386 A387T356-V386 WeakPolarHBondContact O-CA 3.28Å; T356-A387 PolarHBondContact N-O 3.08Å; T356-A387 PolarHBondContact O-N 2.62Å
357I95.5Very high94.4Very high18 Ų1869.2 Ų69.29%0.09236%0.363CS..EExtended strand (participates in β ladder)trans-115123.4177.8-65168.1000107.7P318 T319 M338 L355 V384 V386P318-I357 HydrophobicContact CB-CG2 3.88Å; T319-I357 HydrophobicContact CG2-CD1 4.14Å; M338-I357 HydrophobicContact CE-CD1 3.93Å; M338-I357 HydrophobicContact CE-CG1 4.21Å; M338-I357 HydrophobicContact CE-CG2 3.71Å; L355-I357 HydrophobicContact CB-CG1 4.38Å; I357-V384 HydrophobicContact CG2-CG1 3.52Å; I357-V386 HydrophobicContact CG1-CG1 4.35Å; I357-V386 HydrophobicContact CG1-CG2 4.44Å
358K96.2Very high94.1Very high136 Ų13674.3 Ų74.359%0.59139%0.393SS*.EExtended strand (participates in β ladder)trans-127.6119.1179-174.5178.4179.4-177.80110.8V384 S385K358-V384 WeakPolarHBondContact O-CA 3.46Å; K358-S385 PolarHBondContact N-O 3.16Å; K358-S385 PolarHBondContact O-N 3.33Å
359T97.3Very high93.9Very high18 Ų1873.6 Ų73.611%0.1139%0.389CS..EExtended strand (participates in β ladder)trans-92.4130.2177.9-60.10000110.4D320 K321 L406D320-T359 PolarHBondContact OD1-OG1 3.47Å; D320-T359 WeakPolarHBondContact OD2-CB 3.45Å; D320-T359 PolarHBondContact OD2-N 2.97Å; D320-T359 PolarHBondContact OD2-OG1 3.11Å; K321-T359 HydrophobicContact CB-CG2 4.01Å; K321-T359 HydrophobicContact CD-CG2 3.88Å; K321-T359 HydrophobicContact CG-CG2 4.45Å; T359-L406 HydrophobicContact CG2-CD1 3.86Å; T359-L406 HydrophobicContact CG2-CD2 3.22Å; T359-L406 HydrophobicContact CG2-CG 4.1Å
360T96.4Very high94Very high69 Ų6970.7 Ų70.742%0.42338%0.375SS..EExtended strand (participates in β ladder)trans-118.2124172.5-56.20000108.7G382 T383T360-G382 CarbonylContact O-C 3.6Å; T360-G382 VanDerWaalsContact O-CA 3.24Å; T360-G382 WeakPolarHBondContact O-CA 3.35Å; T360-T383 PolarHBondContact N-O 3Å; T360-T383 PolarHBondContact O-N 2.92Å
361L96.4Very high94Very high26 Ų2670.1 Ų70.114%0.13637%0.372CS..EExtended strand (participates in β ladder)trans-86.7143.7178.7-67.2171.9000111.4K321 L324 H363 L366 I381 L406K321-L361 HydrophobicContact CD-CD1 4.38Å; K321-L361 HydrophobicContact CD-CD2 4.25Å; K321-L361 HydrophobicContact CD-CG 4.3Å; K321-L361 VanDerWaalsContact CE-CD1 3.43Å; L324-L361 HydrophobicContact CD1-CD1 4.24Å; L324-L361 HydrophobicContact CD1-CD2 4.42Å; L361-H363 PolarHBondContact O-CD2 2.83Å; L361-H363 PolarHBondContact O-N 3.4Å; L361-L366 HydrophobicContact CB-CD1 3.99Å; L361-L366 HydrophobicContact CD1-CD1 3.71Å; L361-L366 HydrophobicContact CD2-CD1 4.47Å; L361-L366 HydrophobicContact CG-CD1 4.28Å; L361-I381 HydrophobicContact CD2-CD1 3.75Å; L361-L406 HydrophobicContact CD2-CD2 3.79Å
362D95.8Very high94Very high70 Ų7070.4 Ų70.437%0.37437%0.373SS..  trans-81.197.9163.9-173.7-12.8000109.2S364 L365 I381D362-S364 VanDerWaalsContact CG-OG 3.3Å; D362-S364 PolarHBondContact O-N 2.73Å; D362-S364 VanDerWaalsContact OD1-CB 3.3Å; D362-S364 WeakPolarHBondContact OD1-CB 3.27Å; D362-S364 PolarHBondContact OD1-N 2.76Å; D362-S364 PolarHBondContact OD1-OG 2.8Å; D362-S364 PolarHBondContact OD2-OG 3.08Å; D362-L365 HydrophobicContact CB-CD1 4.05Å; D362-L365 HydrophobicContact CB-CG 4.27Å; D362-L365 PolarHBondContact O-N 3.18Å; D362-I381 PolarHBondContact N-O 3.37Å
363H93.8Very high94.1Very high115 Ų11568.7 Ų68.753%0.53236%0.362SS..G310 helixtrans-67.1-15.6-178.2-73.1-87.7000113.5L361 L365 L366 N369L361-H363 PolarHBondContact O-CD2 2.83Å; L361-H363 PolarHBondContact O-N 3.4Å; H363-L365 PolarHBondContact O-N 3.32Å; H363-L366 PolarHBondContact O-N 3Å; H363-N369 PolarHBondContact CE1-OD1 3.3Å; H363-N369 PolarHBondContact ND1-OD1 2.97Å
364S94.2Very high94.2Very high101 Ų10163.7 Ų63.771%0.70635%0.348SS*.G310 helixtrans-67.3-19.8175.174.30000112.7D362D362-S364 VanDerWaalsContact CG-OG 3.3Å; D362-S364 PolarHBondContact O-N 2.73Å; D362-S364 VanDerWaalsContact OD1-CB 3.3Å; D362-S364 WeakPolarHBondContact OD1-CB 3.27Å; D362-S364 PolarHBondContact OD1-N 2.76Å; D362-S364 PolarHBondContact OD1-OG 2.8Å; D362-S364 PolarHBondContact OD2-OG 3.08Å
365L90.9Very high94.4Very high79 Ų7960.3 Ų60.341%0.41433%0.33SS..G310 helixtrans-94-2.1178.9-56.1178000113.2D362 H363 K380D362-L365 HydrophobicContact CB-CD1 4.05Å; D362-L365 HydrophobicContact CB-CG 4.27Å; D362-L365 PolarHBondContact O-N 3.18Å; H363-L365 PolarHBondContact O-N 3.32Å; L365-K380 WeakPolarHBondContact CD1-O 3.44Å
366L93.4Very high94.5Very high22 Ų2264.2 Ų64.212%0.11535%0.347CS..  trans-118.8136.8-169.2-54-177.5000111.7L324 L361 H363 A370 I371L324-L366 HydrophobicContact CD1-CD1 4.33Å; L324-L366 HydrophobicContact CD1-CD2 4.42Å; L324-L366 HydrophobicContact CD2-CD2 3.67Å; L361-L366 HydrophobicContact CB-CD1 3.99Å; L361-L366 HydrophobicContact CD1-CD1 3.71Å; L361-L366 HydrophobicContact CD2-CD1 4.47Å; L361-L366 HydrophobicContact CG-CD1 4.28Å; H363-L366 PolarHBondContact O-N 3Å; L366-A370 CarbonylContact C-O 3.5Å; L366-A370 WeakPolarHBondContact CA-O 3.43Å; L366-I371 HydrophobicContact CD2-CB 4.02Å
367D91.2Very high94.6Very high90 Ų9066.9 Ų66.948%0.48135%0.352SS..BIsolated β-bridgetrans-101.4117.3165.1-179.825.1000108.9N369 A370 I372D367-N369 VanDerWaalsContact C-N 3.31Å; D367-N369 PolarHBondContact O-N 3.33Å; D367-A370 PolarHBondContact N-O 3.3Å; D367-A370 WeakPolarHBondContact O-CB 3.42Å; D367-A370 PolarHBondContact O-N 3.2Å; D367-A370 VanDerWaalsContact O-O 3.1Å; D367-I372 HydrophobicContact CB-CD1 3.8Å; D367-I372 HydrophobicContact CB-CG1 4.04Å
368N88.8Confident94.6Very high144 Ų14470.8 Ų70.877%0.7737%0.373SS*.THydrogen-bonded Turntrans48.347.9-178.3-166.219.4000113.9A370N368-A370 PolarHBondContact O-N 3.07Å
369N90.9Very high94.7Very high90 Ų9067 Ų6748%0.48136%0.357SS..THydrogen-bonded Turntrans6120.9-176.8-60.3-41.4000115.1L324 H363 D367L324-N369 WeakPolarHBondContact CD1-O 3.46Å; H363-N369 PolarHBondContact CE1-OD1 3.3Å; H363-N369 PolarHBondContact ND1-OD1 2.97Å; D367-N369 VanDerWaalsContact C-N 3.31Å; D367-N369 PolarHBondContact O-N 3.33Å
370A94.6Very high94.7Very high7 Ų771 Ų716%0.05837%0.373CS..EExtended strand (participates in β ladder)trans-124147.4173.100000110.4K325 T327 L366 D367 N368K325-A370 HydrophobicContact CB-CB 3.72Å; K325-A370 CarbonylContact O-C 3.58Å; K325-A370 VanDerWaalsContact O-CA 3.28Å; K325-A370 WeakPolarHBondContact O-CA 3.23Å; K325-A370 WeakPolarHBondContact O-CB 3.4Å; T327-A370 WeakPolarHBondContact OG1-CB 3.41Å; L366-A370 CarbonylContact C-O 3.5Å; L366-A370 WeakPolarHBondContact CA-O 3.43Å; D367-A370 PolarHBondContact N-O 3.3Å; D367-A370 WeakPolarHBondContact O-CB 3.42Å; D367-A370 PolarHBondContact O-N 3.2Å; D367-A370 VanDerWaalsContact O-O 3.1Å; N368-A370 PolarHBondContact O-N 3.07Å
371I95.6Very high94.7Very high4 Ų467.8 Ų67.82%0.02135%0.353CS..EExtended strand (participates in β ladder)trans-87.7139.5171.3-171.3167000109.4L324 K325 V326 T327 V334 L366 V375 I381L324-I371 HydrophobicContact CD2-CB 3.82Å; L324-I371 HydrophobicContact CD2-CG2 3.78Å; L324-I371 HydrophobicContact CG-CG2 4.28Å; K325-I371 PolarHBondContact O-N 3.45Å; V326-I371 CarbonylContact C-O 3.55Å; V326-I371 VanDerWaalsContact CA-O 3.26Å; V326-I371 WeakPolarHBondContact CA-O 3.5Å; V326-I371 HydrophobicContact CB-CG2 4.48Å; V326-I371 HydrophobicContact CG2-CG2 3.87Å; T327-I371 PolarHBondContact N-O 3.4Å; V334-I371 HydrophobicContact CG1-CG2 4.21Å; L366-I371 HydrophobicContact CD2-CB 4.02Å; I371-V375 HydrophobicContact CB-CG2 4.45Å; I371-V375 HydrophobicContact CD1-CG1 4.15Å; I371-V375 HydrophobicContact CD1-CG2 4.19Å; I371-V375 HydrophobicContact CG1-CG2 4.08Å; I371-V375 HydrophobicContact CG2-CG2 3.63Å; I371-I381 HydrophobicContact CD1-CG2 3.85Å
372I94.9Very high94.7Very high81 Ų8166.8 Ų66.842%0.41535%0.349SS..EExtended strand (participates in β ladder)trans-87.3133.5-179.5-58.1174.5000109.5D367D367-I372 HydrophobicContact CB-CD1 3.8Å; D367-I372 HydrophobicContact CB-CG1 4.04Å
373A95.1Very high94.8Very high4 Ų465.5 Ų65.53%0.03334%0.344CS..SBendtrans-72.2150175.700000112.8V326 T327 K414V326-A373 HydrophobicContact CG1-CB 4.01Å; T327-A373 WeakPolarHBondContact O-CB 3.36Å; T327-A373 PolarHBondContact O-N 3.13Å; A373-K414 HydrophobicContact CB-CB 4.27Å
374P95.7Very high95Very high74 Ų7460 Ų6048%0.48132%0.319SS..SBendcis-76.3136.95.731.8-34.9000112.9V412P374-V412 WeakPolarHBondContact CA-O 3.44Å
375V96.4Very high95.1Very high2 Ų257.1 Ų57.11%0.01230%0.299CS..BIsolated β-bridgetrans-97.8131.1173.1-1790000108.4V326 V334 I371 T408 A411 V412V326-V375 HydrophobicContact CG1-CG2 3.92Å; V326-V375 HydrophobicContact CG2-CG2 4.28Å; V334-V375 HydrophobicContact CG1-CG1 4.48Å; V334-V375 HydrophobicContact CG2-CG1 4.4Å; I371-V375 HydrophobicContact CB-CG2 4.45Å; I371-V375 HydrophobicContact CD1-CG1 4.15Å; I371-V375 HydrophobicContact CD1-CG2 4.19Å; I371-V375 HydrophobicContact CG1-CG2 4.08Å; I371-V375 HydrophobicContact CG2-CG2 3.63Å; V375-T408 HydrophobicContact CG1-CG2 3.59Å; V375-A411 CarbonylContact O-C 3.53Å; V375-A411 WeakPolarHBondContact O-CA 3.32Å; V375-A411 WeakPolarHBondContact O-CB 3.22Å; V375-V412 HydrophobicContact CB-CB 4.01Å; V375-V412 HydrophobicContact CG2-CB 4.23Å; V375-V412 PolarHBondContact N-O 3.36Å; V375-V412 PolarHBondContact O-N 2.88Å
376H96.6Very high95.3Very high120 Ų12053.6 Ų53.656%0.55628%0.28SS*.PPolyproline II helixtrans-89.4157.5176.5-64.8-78.7000110.9E379 T408H376-E379 HydrophobicContact CB-CB 4.41Å; H376-E379 PolarHBondContact N-OE2 3.08Å; H376-E379 WeakPolarHBondContact O-CB 3.26Å; H376-T408 PolarHBondContact O-OG1 3.11Å
377K96.2Very high95.4Very high135 Ų13554.5 Ų54.559%0.58729%0.291SS*.THydrogen-bonded Turntrans-73.2142.9170.1-179.4-178.1177.4-171.30109E379K377-E379 PolarHBondContact O-N 2.86Å
378N97.3Very high95.5Very high100 Ų10050.6 Ų50.654%0.53527%0.27SS..THydrogen-bonded Turntrans62.624-177-56.9-17.1000113.3K380 T408N378-K380 PolarHBondContact O-N 3.17Å; N378-T408 WeakPolarHBondContact CA-O 3.38Å; N378-T408 PolarHBondContact N-O 3.04Å; N378-T408 PolarHBondContact N-OG1 2.79Å
379E97Very high95.6Very high56 Ų5646.4 Ų46.426%0.26226%0.255SS..  trans-72.5122.4173.4-173171.1176.800108.9H376 K377 V407 T408H376-E379 HydrophobicContact CB-CB 4.41Å; H376-E379 PolarHBondContact N-OE2 3.08Å; H376-E379 WeakPolarHBondContact O-CB 3.26Å; K377-E379 PolarHBondContact O-N 2.86Å; E379-V407 CarbonylContact O-C 3.44Å; E379-V407 VanDerWaalsContact O-CA 3.22Å; E379-V407 WeakPolarHBondContact O-CA 3.28Å; E379-T408 HydrophobicContact CB-CG2 4.22Å; E379-T408 WeakPolarHBondContact CB-OG1 3.41Å; E379-T408 PolarHBondContact N-OG1 3.18Å; E379-T408 PolarHBondContact O-N 3.02Å
380K97.5Very high95.7Very high103 Ų10344.9 Ų44.945%0.44825%0.245SC..EExtended strand (participates in β ladder)trans-71126.3177.9-179.7178.9-176.6155.60109.7L365 N378 D405L365-K380 WeakPolarHBondContact CD1-O 3.44Å; N378-K380 PolarHBondContact O-N 3.17Å; K380-D405 HydrophobicContact CD-CB 4.37Å; K380-D405 WeakPolarHBondContact CD-OD2 3.34Å; K380-D405 VanDerWaalsContact CE-OD1 3.24Å; K380-D405 WeakPolarHBondContact CE-OD1 3.45Å; K380-D405 VanDerWaalsContact CE-OD2 3.31Å; K380-D405 WeakPolarHBondContact CE-OD2 3.41Å; K380-D405 HydrophobicContact CG-CB 4.38Å; K380-D405 IonicContact NZ-OD1 2.77Å; K380-D405 PolarHBondContact NZ-OD1 3.26Å; K380-D405 IonicContact NZ-OD2 2.8Å; K380-D405 PolarHBondContact NZ-OD2 2.98Å
381I96.6Very high95.7Very high0 Ų046 Ų460%025%0.25CS..EExtended strand (participates in β ladder)trans-126.77.8-17859.4139.7000112.9L324 L336 L361 D362 I371 L406 T408L324-I381 HydrophobicContact CD2-CD1 3.8Å; L324-I381 HydrophobicContact CD2-CG2 4.44Å; L336-I381 HydrophobicContact CD1-CD1 3.7Å; L336-I381 HydrophobicContact CD2-CD1 3.3Å; L336-I381 HydrophobicContact CD2-CG1 4.17Å; L336-I381 HydrophobicContact CG-CD1 4.1Å; L361-I381 HydrophobicContact CD2-CD1 3.75Å; D362-I381 PolarHBondContact N-O 3.37Å; I371-I381 HydrophobicContact CD1-CG2 3.85Å; I381-L406 HydrophobicContact CD1-CD2 3.41Å; I381-L406 VanDerWaalsContact CD1-CD2 3.41Å; I381-L406 HydrophobicContact CD1-CG 3.82Å; I381-L406 HydrophobicContact CG1-CB 4.36Å; I381-L406 HydrophobicContact CG1-CD2 3.74Å; I381-L406 HydrophobicContact CG1-CG 3.81Å; I381-L406 WeakPolarHBondContact CG1-O 3.45Å; I381-L406 PolarHBondContact N-O 2.82Å; I381-T408 HydrophobicContact CG2-CG2 4.1Å
382G97.1Very high95.5Very high5 Ų552.1 Ų52.15%0.05229%0.288CS..EExtended strand (participates in β ladder)trans153.8-153.8-178.400000112.7T360 L406T360-G382 CarbonylContact O-C 3.6Å; T360-G382 VanDerWaalsContact O-CA 3.24Å; T360-G382 WeakPolarHBondContact O-CA 3.35Å; G382-L406 PolarHBondContact O-N 2.82Å
383T97.3Very high95.6Very high44 Ų4450.3 Ų50.327%0.2728%0.279SS..EExtended strand (participates in β ladder)trans-136.7155.1-178.557.80000111.4T360 T404T360-T383 PolarHBondContact N-O 3Å; T360-T383 PolarHBondContact O-N 2.92Å; T383-T404 CarbonylContact C-O 3.58Å; T383-T404 WeakPolarHBondContact CA-O 3.48Å
384V97.6Very high95.6Very high0 Ų051.2 Ų51.20%029%0.289CS..EExtended strand (participates in β ladder)trans-118.9121.6171-173.10000108.9P318 M338 I357 K358 V386 K403 T404 L406P318-V384 HydrophobicContact CB-CG1 4.4Å; P318-V384 HydrophobicContact CB-CG2 4.35Å; P318-V384 HydrophobicContact CG-CG2 4.33Å; M338-V384 HydrophobicContact CE-CB 4.47Å; M338-V384 HydrophobicContact CE-CG1 3.59Å; M338-V384 HydrophobicContact CG-CB 4.38Å; M338-V384 HydrophobicContact CG-CG1 4.46Å; M338-V384 HydrophobicContact CG-CG2 4.2Å; I357-V384 HydrophobicContact CG2-CG1 3.52Å; K358-V384 WeakPolarHBondContact O-CA 3.46Å; V384-V386 HydrophobicContact CG1-CG2 4.22Å; V384-K403 CarbonylContact O-C 3.58Å; V384-K403 VanDerWaalsContact O-CA 3.27Å; V384-K403 WeakPolarHBondContact O-CA 3.23Å; V384-T404 HydrophobicContact CB-CG2 4.02Å; V384-T404 PolarHBondContact N-O 3.18Å; V384-T404 PolarHBondContact O-N 3.39Å; V384-L406 HydrophobicContact CG2-CB 3.94Å; V384-L406 HydrophobicContact CG2-CD1 3.55Å; V384-L406 HydrophobicContact CG2-CG 4.32Å
385S95.9Very high95.6Very high40 Ų4050.2 Ų50.228%0.2828%0.276SS..EExtended strand (participates in β ladder)trans-90.8134.8168.9-59.40000109.4K358K358-S385 PolarHBondContact N-O 3.16Å; K358-S385 PolarHBondContact O-N 3.33Å
386V95.6Very high95.7Very high4 Ų450.1 Ų50.12%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-123.8131176.9-171.80000109V311 T312 M338 V342 L344 L355 T356 I357 V384 A402V311-V386 HydrophobicContact CG2-CG1 4Å; T312-V386 HydrophobicContact CG2-CG1 4.43Å; T312-V386 HydrophobicContact CG2-CG2 4.45Å; M338-V386 HydrophobicContact CE-CG2 4.08Å; V342-V386 HydrophobicContact CB-CB 4.37Å; V342-V386 HydrophobicContact CB-CG2 4.17Å; V342-V386 HydrophobicContact CG1-CB 3.96Å; V342-V386 HydrophobicContact CG1-CG2 4.23Å; V342-V386 HydrophobicContact CG2-CG2 3.87Å; L344-V386 HydrophobicContact CD1-CG1 4.31Å; L355-V386 HydrophobicContact CB-CG1 4.43Å; L355-V386 HydrophobicContact CD1-CG1 4.22Å; L355-V386 HydrophobicContact CD2-CG1 4.04Å; L355-V386 HydrophobicContact CG-CG1 4.47Å; T356-V386 WeakPolarHBondContact O-CA 3.28Å; I357-V386 HydrophobicContact CG1-CG1 4.35Å; I357-V386 HydrophobicContact CG1-CG2 4.44Å; V384-V386 HydrophobicContact CG1-CG2 4.22Å; V386-A402 PolarHBondContact N-O 3.48Å; V386-A402 VanDerWaalsContact N-O 3.07Å
387A94.6Very high95.6Very high41 Ų4145.9 Ų45.934%0.33926%0.256SS..EExtended strand (participates in β ladder)trans-139.8158.9177.500000110.6L355 T356L355-A387 CarbonylContact C-O 3.55Å; L355-A387 WeakPolarHBondContact CA-O 3.43Å; T356-A387 PolarHBondContact N-O 3.08Å; T356-A387 PolarHBondContact O-N 2.62Å
388L94.3Very high95.2Very high8 Ų848.6 Ų48.64%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-84.8130.3168.8-76.5166000109.5L344 I346 M350 D351 L355 Q390 D391L344-L388 HydrophobicContact CD1-CD1 4.48Å; L344-L388 HydrophobicContact CD1-CG 3.97Å; I346-L388 HydrophobicContact CB-CD1 4.2Å; I346-L388 HydrophobicContact CD1-CD1 4.21Å; I346-L388 HydrophobicContact CG1-CD1 3.85Å; I346-L388 HydrophobicContact CG2-CD1 3.9Å; M350-L388 HydrophobicContact CB-CD1 4.47Å; M350-L388 HydrophobicContact SD-CD1 4.25Å; D351-L388 VanDerWaalsContact O-CD2 3.24Å; D351-L388 WeakPolarHBondContact O-CD2 3.42Å; L355-L388 HydrophobicContact CD2-CD2 3.76Å; L355-L388 HydrophobicContact CD2-CG 4.31Å; L388-Q390 PolarHBondContact O-N 3.39Å; L388-D391 HydrophobicContact CB-CB 4.01Å; L388-D391 PolarHBondContact O-N 3.02Å; L388-D391 VanDerWaalsContact O-N 3.15Å
389A90.7Very high94.7Very high56 Ų5649.2 Ų49.246%0.46327%0.274SS..THydrogen-bonded Turntrans-65.4-22.5179.700000112.9N354N354-A389 PolarHBondContact O-N 2.76Å
390Q93.4Very high94.3Very high58 Ų5848.1 Ų48.127%0.27127%0.269SS..THydrogen-bonded Turntrans-86.2-13.3178-68.7168.3-42.700113.5M350 L388 T392M350-Q390 HydrophobicContact CG-CB 4.19Å; L388-Q390 PolarHBondContact O-N 3.39Å; Q390-T392 PolarHBondContact O-N 3.06Å
391D93.6Very high93.9Very high31 Ų3144.6 Ų44.617%0.16626%0.261CS..  trans-80.3105.5-178.6176.423.5000110.5K48 M350 L388 L393 G394K48-D391 WeakPolarHBondContact CE-OD2 3.39Å; K48-D391 IonicContact NZ-OD1 2.79Å; K48-D391 PolarHBondContact NZ-OD1 3.1Å; K48-D391 IonicContact NZ-OD2 2.66Å; K48-D391 PolarHBondContact NZ-OD2 3.32Å; M350-D391 HydrophobicContact CE-CB 4.27Å; M350-D391 HydrophobicContact SD-CB 4.15Å; L388-D391 HydrophobicContact CB-CB 4.01Å; L388-D391 PolarHBondContact O-N 3.02Å; L388-D391 VanDerWaalsContact O-N 3.15Å; D391-L393 PolarHBondContact OD1-N 3.34Å; D391-G394 PolarHBondContact OD1-N 2.82Å
392T93Very high93.6Very high132 Ų13245.5 Ų45.581%0.8127%0.269SS*.  trans-93.6-8.217857.20000113.3Q390Q390-T392 PolarHBondContact O-N 3.06Å
393L95.4Very high93.5Very high44 Ų4450.5 Ų50.523%0.2329%0.289CS..SBendtrans-86.5-32.8-177.7-68.4174000112V49 F50 N52 W306 D391V49-L393 HydrophobicContact CB-CB 3.99Å; V49-L393 HydrophobicContact CG1-CB 4.02Å; V49-L393 HydrophobicContact CG1-CD2 4.31Å; F50-L393 WeakPolarHBondContact O-CD1 3.41Å; N52-L393 HydrophobicContact CB-CD2 3.97Å; W306-L393 HydrophobicContact CH2-CD1 4.15Å; W306-L393 HydrophobicContact CZ2-CD1 3.8Å; D391-L393 PolarHBondContact OD1-N 3.34Å
394G95.2Very high93.4Very high23 Ų2348.8 Ų48.824%0.23728%0.278CS..  trans63.8-140.1177.400000113.2K48 V49 D391K48-G394 WeakPolarHBondContact CD-O 3.37Å; K48-G394 PolarHBondContact NZ-O 3.39Å; V49-G394 PolarHBondContact N-O 3.13Å; D391-G394 PolarHBondContact OD1-N 2.82Å
395Y97Very high93.5Very high52 Ų5250.9 Ų50.920%0.20429%0.29CS..BIsolated β-bridgetrans-126.3155.4-174.6-66.2-97.7000110.4S46 G47 K48 Q397 E400S46-Y395 WeakPolarHBondContact O-CD1 3.46Å; G47-Y395 CarbonylContact O-C 3.57Å; G47-Y395 VanDerWaalsContact O-CA 3.32Å; G47-Y395 WeakPolarHBondContact O-CA 3.4Å; K48-Y395 HydrophobicContact CB-CD1 4.21Å; K48-Y395 HydrophobicContact CB-CE1 3.98Å; K48-Y395 HydrophobicContact CD-CD1 4.5Å; K48-Y395 HydrophobicContact CD-CE1 4.07Å; K48-Y395 HydrophobicContact CD-CE2 4.33Å; Y395-Q397 VanDerWaalsContact C-N 3.34Å; Y395-Q397 PolarHBondContact O-N 3.18Å; Y395-E400 HydrophobicContact CD1-CB 4.07Å; Y395-E400 HydrophobicContact CG-CB 4.19Å
396V97.7Very high93.6Very high0 Ų049 Ų490%028%0.277CS..SBendtrans-69.3-34.5-173.569.90000111.1Y40 I42 G47 V49 R194 I198 E400Y40-V396 HydrophobicContact CE1-CG2 3.97Å; I42-V396 HydrophobicContact CD1-CG1 4.04Å; I42-V396 HydrophobicContact CG2-CB 3.96Å; I42-V396 HydrophobicContact CG2-CG1 4.47Å; I42-V396 HydrophobicContact CG2-CG2 4.25Å; G47-V396 PolarHBondContact O-N 2.98Å; V49-V396 HydrophobicContact CG2-CB 4.28Å; R194-V396 HydrophobicContact CG-CG2 3.98Å; R194-V396 PolarHBondContact NE-O 2.75Å; R194-V396 VanDerWaalsContact NE-O 3.13Å; R194-V396 PolarHBondContact NH2-O 2.67Å; I198-V396 HydrophobicContact CD1-CG2 4.16Å; I198-V396 HydrophobicContact CG1-CG2 3.5Å; I198-V396 VanDerWaalsContact CG1-CG2 3.5Å; V396-E400 WeakPolarHBondContact CG1-OE2 3.34Å; V396-E400 PolarHBondContact N-OE2 2.91Å
397Q95.2Very high93.7Very high32 Ų3249 Ų4915%0.1528%0.277CS..SBendtrans-119.1151.8171.6-62.1-173.766.600112.4I198 H202 Y395 N399 E400I198-Q397 HydrophobicContact CD1-CG 4.18Å; I198-Q397 HydrophobicContact CG1-CG 4.2Å; H202-Q397 PolarHBondContact NE2-NE2 3.1Å; Y395-Q397 VanDerWaalsContact C-N 3.34Å; Y395-Q397 PolarHBondContact O-N 3.18Å; Q397-N399 VanDerWaalsContact C-N 3.31Å; Q397-N399 VanDerWaalsContact CB-OD1 3.25Å; Q397-N399 WeakPolarHBondContact CB-OD1 3.32Å; Q397-N399 PolarHBondContact O-N 3Å; Q397-E400 HydrophobicContact CB-CG 4.06Å; Q397-E400 PolarHBondContact N-OE2 3.48Å; Q397-E400 WeakPolarHBondContact O-CB 3.46Å; Q397-E400 PolarHBondContact O-N 3.23Å
398E87.9Confident93.9Very high192 Ų19247 Ų4790%0.89726%0.26SS*.THydrogen-bonded Turntrans-67.8-27.5-175.7-65-173167.100114.1E400E398-E400 VanDerWaalsContact C-N 3.29Å
399N86.6Confident94Very high113 Ų11351.2 Ų51.260%0.60428%0.278SS*.THydrogen-bonded Turntrans-77.2-18.2179.161.1-14.5000112.6Q397 K403Q397-N399 VanDerWaalsContact C-N 3.31Å; Q397-N399 VanDerWaalsContact CB-OD1 3.25Å; Q397-N399 WeakPolarHBondContact CB-OD1 3.32Å; Q397-N399 PolarHBondContact O-N 3Å; N399-K403 PolarHBondContact O-NZ 2.92Å
400E88.5Confident94.2Very high33 Ų3350.5 Ų50.515%0.15427%0.27CS..  trans-72.6174.5174.7-62.3178.8135.600111.4G47 Q201 Y395 V396 Q397 E398G47-E400 WeakPolarHBondContact CA-OE1 3.48Å; G47-E400 WeakPolarHBondContact CA-OE2 3.42Å; Q201-E400 PolarHBondContact NE2-OE1 3.04Å; Q201-E400 PolarHBondContact OE1-OE1 3.39Å; Y395-E400 HydrophobicContact CD1-CB 4.07Å; Y395-E400 HydrophobicContact CG-CB 4.19Å; V396-E400 WeakPolarHBondContact CG1-OE2 3.34Å; V396-E400 PolarHBondContact N-OE2 2.91Å; Q397-E400 HydrophobicContact CB-CG 4.06Å; Q397-E400 PolarHBondContact N-OE2 3.48Å; Q397-E400 WeakPolarHBondContact O-CB 3.46Å; Q397-E400 PolarHBondContact O-N 3.23Å; E398-E400 VanDerWaalsContact C-N 3.29Å
401G88.2Confident94.4Very high28 Ų2850.4 Ų50.429%0.28928%0.279SS..SBendtrans117.7148.2-175.500000113.4K403G401-K403 PolarHBondContact O-N 3.46Å
402A91.5Very high94.5Very high20 Ų2049.1 Ų49.117%0.16527%0.272CS..  trans-74.1116.3-174.900000111.4V342 L344 V386V342-A402 HydrophobicContact CG1-CB 3.48Å; V342-A402 VanDerWaalsContact CG1-CB 3.48Å; L344-A402 HydrophobicContact CD2-CB 3.32Å; V386-A402 PolarHBondContact N-O 3.48Å; V386-A402 VanDerWaalsContact N-O 3.07Å
403K93.6Very high94.6Very high109 Ų10948.6 Ų48.647%0.47426%0.261SS..EExtended strand (participates in β ladder)trans-125.9150.3-179.5-63.9168.6-170.9158.90109.8V384 N399 G401V384-K403 CarbonylContact O-C 3.58Å; V384-K403 VanDerWaalsContact O-CA 3.27Å; V384-K403 WeakPolarHBondContact O-CA 3.23Å; N399-K403 PolarHBondContact O-NZ 2.92Å; G401-K403 PolarHBondContact O-N 3.46Å
404T96.7Very high94.6Very high8 Ų851.5 Ų51.55%0.04927%0.272CS..EExtended strand (participates in β ladder)trans-133.1155.1166.8178.90000109.3M338 K340 V342 T383 V384M338-T404 HydrophobicContact CB-CG2 3.75Å; M338-T404 HydrophobicContact CG-CG2 3.77Å; K340-T404 PolarHBondContact N-OG1 2.93Å; K340-T404 VanDerWaalsContact N-OG1 3.15Å; K340-T404 PolarHBondContact O-OG1 3.28Å; V342-T404 HydrophobicContact CG2-CG2 3.53Å; T383-T404 CarbonylContact C-O 3.58Å; T383-T404 WeakPolarHBondContact CA-O 3.48Å; V384-T404 HydrophobicContact CB-CG2 4.02Å; V384-T404 PolarHBondContact N-O 3.18Å; V384-T404 PolarHBondContact O-N 3.39Å
405D98Very high94.4Very high45 Ų4550.7 Ų50.724%0.24126%0.262CS..EExtended strand (participates in β ladder)trans-65.5138.6173.8-73.7-8000110.8E339 K380 V407E339-D405 HydrophobicContact CB-CB 4.04Å; E339-D405 PolarHBondContact N-O 2.81Å; K380-D405 HydrophobicContact CD-CB 4.37Å; K380-D405 WeakPolarHBondContact CD-OD2 3.34Å; K380-D405 VanDerWaalsContact CE-OD1 3.24Å; K380-D405 WeakPolarHBondContact CE-OD1 3.45Å; K380-D405 VanDerWaalsContact CE-OD2 3.31Å; K380-D405 WeakPolarHBondContact CE-OD2 3.41Å; K380-D405 HydrophobicContact CG-CB 4.38Å; K380-D405 IonicContact NZ-OD1 2.77Å; K380-D405 PolarHBondContact NZ-OD1 3.26Å; K380-D405 IonicContact NZ-OD2 2.8Å; K380-D405 PolarHBondContact NZ-OD2 2.98Å; D405-V407 HydrophobicContact CB-CG1 4.38Å
406L98.2Very high94.1Very high0 Ų051 Ų510%027%0.272CS..EExtended strand (participates in β ladder)trans-91.2120.7171.2-178.974.6000108P318 L336 T359 L361 I381 G382 V384P318-L406 HydrophobicContact CG-CD1 3.7Å; L336-L406 HydrophobicContact CB-CD1 3.98Å; L336-L406 HydrophobicContact CD1-CD1 4.13Å; L336-L406 HydrophobicContact CD1-CD2 4.08Å; L336-L406 HydrophobicContact CD1-CG 4.31Å; T359-L406 HydrophobicContact CG2-CD1 3.86Å; T359-L406 HydrophobicContact CG2-CD2 3.22Å; T359-L406 HydrophobicContact CG2-CG 4.1Å; L361-L406 HydrophobicContact CD2-CD2 3.79Å; I381-L406 HydrophobicContact CD1-CD2 3.41Å; I381-L406 VanDerWaalsContact CD1-CD2 3.41Å; I381-L406 HydrophobicContact CD1-CG 3.82Å; I381-L406 HydrophobicContact CG1-CB 4.36Å; I381-L406 HydrophobicContact CG1-CD2 3.74Å; I381-L406 HydrophobicContact CG1-CG 3.81Å; I381-L406 WeakPolarHBondContact CG1-O 3.45Å; I381-L406 PolarHBondContact N-O 2.82Å; G382-L406 PolarHBondContact O-N 2.82Å; V384-L406 HydrophobicContact CG2-CB 3.94Å; V384-L406 HydrophobicContact CG2-CD1 3.55Å; V384-L406 HydrophobicContact CG2-CG 4.32Å
407V98.4Very high93.5Very high4 Ų456.2 Ų56.22%0.02430%0.304CS..EExtended strand (participates in β ladder)trans-128159.7-175.2-60.80000112.8L336 A337 E339 E379 D405L336-V407 CarbonylContact C-O 3.55Å; L336-V407 WeakPolarHBondContact CA-O 3.24Å; A337-V407 HydrophobicContact CB-CG2 4.34Å; A337-V407 PolarHBondContact N-O 2.78Å; A337-V407 WeakPolarHBondContact O-CG2 3.39Å; A337-V407 PolarHBondContact O-N 3.14Å; E339-V407 HydrophobicContact CB-CG1 3.98Å; E339-V407 HydrophobicContact CB-CG2 4.22Å; E339-V407 HydrophobicContact CG-CG1 4.27Å; E379-V407 CarbonylContact O-C 3.44Å; E379-V407 VanDerWaalsContact O-CA 3.22Å; E379-V407 WeakPolarHBondContact O-CA 3.28Å; D405-V407 HydrophobicContact CB-CG1 4.38Å
408T97.9Very high93.2Very high0 Ų062.3 Ų62.30%033%0.33CS..EExtended strand (participates in β ladder)trans-74.2131.3170.456.30000110.9V334 L336 V375 H376 N378 E379 I381 S410V334-T408 HydrophobicContact CG1-CG2 3.99Å; V334-T408 HydrophobicContact CG2-CG2 4.1Å; L336-T408 HydrophobicContact CD2-CG2 4.48Å; V375-T408 HydrophobicContact CG1-CG2 3.59Å; H376-T408 PolarHBondContact O-OG1 3.11Å; N378-T408 WeakPolarHBondContact CA-O 3.38Å; N378-T408 PolarHBondContact N-O 3.04Å; N378-T408 PolarHBondContact N-OG1 2.79Å; E379-T408 HydrophobicContact CB-CG2 4.22Å; E379-T408 WeakPolarHBondContact CB-OG1 3.41Å; E379-T408 PolarHBondContact N-OG1 3.18Å; E379-T408 PolarHBondContact O-N 3.02Å; I381-T408 HydrophobicContact CG2-CG2 4.1Å; T408-S410 VanDerWaalsContact C-N 3.34Å; T408-S410 PolarHBondContact O-N 3.27Å
409K96.4Very high92.9Very high95 Ų9556.7 Ų56.741%0.41330%0.304SS..SBendtrans-76.7-22.3-176.5-164.6163.8-175.1150.10113.3G315 A335 A337G315-K409 PolarHBondContact O-NZ 2.92Å; A335-K409 HydrophobicContact CB-CB 4.08Å; A335-K409 HydrophobicContact CB-CD 4.38Å; A335-K409 VanDerWaalsContact O-CB 3.3Å; A335-K409 WeakPolarHBondContact O-CB 3.47Å; A335-K409 PolarHBondContact O-N 3.31Å; A337-K409 HydrophobicContact CB-CB 4.33Å; A337-K409 HydrophobicContact CB-CD 4.37Å; A337-K409 HydrophobicContact CB-CG 4.39Å
410S96.4Very high92.8Very high42 Ų4252.6 Ų52.629%0.29428%0.282SS..SBendtrans-150.8158-177.961.40000110.9V334 T408V334-S410 VanDerWaalsContact CG2-O 3.25Å; V334-S410 WeakPolarHBondContact CG2-O 3.43Å; T408-S410 VanDerWaalsContact C-N 3.34Å; T408-S410 PolarHBondContact O-N 3.27Å
411A96.5Very high92.7Very high56 Ų5655.5 Ų55.546%0.46330%0.298SS..  trans-71.3152.117000000111.9V375V375-A411 CarbonylContact O-C 3.53Å; V375-A411 WeakPolarHBondContact O-CA 3.32Å; V375-A411 WeakPolarHBondContact O-CB 3.22Å
412V96.5Very high92.5Very high3 Ų361.5 Ų61.52%0.01831%0.312CS..BIsolated β-bridgetrans-128.9110.7168.3-177.60000108.4V326 K331 V334 P374 V375V326-V412 HydrophobicContact CG1-CB 4.39Å; V326-V412 HydrophobicContact CG1-CG1 3.97Å; V326-V412 HydrophobicContact CG2-CG2 4.34Å; K331-V412 HydrophobicContact CB-CG1 3.88Å; K331-V412 HydrophobicContact CB-CG2 4.39Å; K331-V412 HydrophobicContact CD-CG2 4.42Å; V334-V412 HydrophobicContact CB-CG2 3.84Å; V334-V412 HydrophobicContact CG2-CG2 3.96Å; P374-V412 WeakPolarHBondContact CA-O 3.44Å; V375-V412 HydrophobicContact CB-CB 4.01Å; V375-V412 HydrophobicContact CG2-CB 4.23Å; V375-V412 PolarHBondContact N-O 3.36Å; V375-V412 PolarHBondContact O-N 2.88Å
413E95.4Very high92Very high121 Ų12163.9 Ų63.957%0.56532%0.319SS*.PPolyproline II helixtrans-66.6150.4176.5-66.8177.5-174.900111.6G329 K330G329-E413 WeakPolarHBondContact CA-O 3.35Å; K330-E413 HydrophobicContact CD-CB 4.09Å; K330-E413 WeakPolarHBondContact CE-OE2 3.27Å; K330-E413 HydrophobicContact CG-CB 4.43Å; K330-E413 PolarHBondContact N-O 3.4Å; K330-E413 IonicContact NZ-OE2 2.69Å; K330-E413 PolarHBondContact NZ-OE2 3.49Å
414K94.2Very high91.4Very high106 Ų10665.8 Ų65.846%0.46133%0.328SS..BIsolated β-bridgetrans-62.8136.1170.4-167170.8-176.4160.10110.3D328 A373D328-K414 HydrophobicContact CB-CG 4.47Å; D328-K414 CarbonylContact O-C 3.57Å; D328-K414 WeakPolarHBondContact O-CA 3.3Å; D328-K414 WeakPolarHBondContact O-CG 3.44Å; A373-K414 HydrophobicContact CB-CB 4.27Å
415A91.7Very high90.6Very high5 Ų569.2 Ų69.24%0.04135%0.345CS..PPolyproline II helixtrans-63144.9171.400000110.1D328 E419 L420D328-A415 WeakPolarHBondContact O-CB 3.49Å; D328-A415 PolarHBondContact O-N 2.87Å; A415-E419 HydrophobicContact CB-CB 3.85Å; A415-L420 HydrophobicContact CB-CD2 3.8Å; A415-L420 HydrophobicContact CB-CG 3.98Å
416S89.9Confident89.6Confident59 Ų5969.9 Ų69.941%0.41335%0.351SS..PPolyproline II helixtrans-63159.4173.1640000111.2F418 E419 L420S416-F418 PolarHBondContact O-N 3.04Å; S416-F418 VanDerWaalsContact O-N 3.15Å; S416-E419 WeakPolarHBondContact CB-OE2 3.49Å; S416-E419 PolarHBondContact N-OE2 3.03Å; S416-E419 WeakPolarHBondContact O-CB 3.38Å; S416-E419 PolarHBondContact O-N 2.74Å; S416-E419 VanDerWaalsContact OG-CD 3.28Å; S416-E419 VanDerWaalsContact OG-CG 3.31Å; S416-E419 WeakPolarHBondContact OG-CG 3.2Å; S416-E419 PolarHBondContact OG-OE2 3.04Å; S416-L420 WeakPolarHBondContact O-CG 3.44Å; S416-L420 PolarHBondContact O-N 3.29Å
417T85.6Confident88.3Confident109 Ų10972 Ų7267%0.66937%0.373SS*.Hα-helixtrans-54.3-37.7-179.4-47.60000112.7L420 I421T417-L420 PolarHBondContact O-N 2.69Å; T417-I421 HydrophobicContact CG2-CD1 4.25Å; T417-I421 VanDerWaalsContact O-CG1 3.29Å; T417-I421 WeakPolarHBondContact O-CG1 3.27Å; T417-I421 PolarHBondContact O-N 2.93Å
418F88.2Confident87Confident161 Ų16178.3 Ų78.371%0.70641%0.405SS*.Hα-helixtrans-66.6-43.9176.7-178.3-96.5000112.3S416 L420 I421 W422S416-F418 PolarHBondContact O-N 3.04Å; S416-F418 VanDerWaalsContact O-N 3.15Å; F418-L420 VanDerWaalsContact C-N 3.34Å; F418-L420 PolarHBondContact O-N 3.3Å; F418-I421 PolarHBondContact O-N 3.16Å; F418-W422 WeakPolarHBondContact O-CB 3.25Å; F418-W422 PolarHBondContact O-N 3.27Å
419E82.9Confident85.5Confident74 Ų7486.7 Ų86.735%0.34644%0.442SS..Hα-helixtrans-63.5-39.2176.4-71.5166.6135.300111.5A415 S416 W422 Q423A415-E419 HydrophobicContact CB-CB 3.85Å; S416-E419 WeakPolarHBondContact CB-OE2 3.49Å; S416-E419 PolarHBondContact N-OE2 3.03Å; S416-E419 WeakPolarHBondContact O-CB 3.38Å; S416-E419 PolarHBondContact O-N 2.74Å; S416-E419 VanDerWaalsContact OG-CD 3.28Å; S416-E419 VanDerWaalsContact OG-CG 3.31Å; S416-E419 WeakPolarHBondContact OG-CG 3.2Å; S416-E419 PolarHBondContact OG-OE2 3.04Å; E419-W422 PolarHBondContact O-N 3.09Å; E419-Q423 WeakPolarHBondContact O-CB 3.35Å; E419-Q423 VanDerWaalsContact O-CG 3.23Å; E419-Q423 WeakPolarHBondContact O-CG 3.29Å; E419-Q423 PolarHBondContact O-N 3.2Å
420L84.9Confident83.5Confident27 Ų2789 Ų8914%0.14148%0.478CS..Hα-helixtrans-64.6-42.8175.9-67.8174.6000112D328 A415 S416 T417 F418 W422 Q423 K424D328-L420 HydrophobicContact CB-CD2 3.73Å; D328-L420 WeakPolarHBondContact OD1-CD2 3.41Å; A415-L420 HydrophobicContact CB-CD2 3.8Å; A415-L420 HydrophobicContact CB-CG 3.98Å; S416-L420 WeakPolarHBondContact O-CG 3.44Å; S416-L420 PolarHBondContact O-N 3.29Å; T417-L420 PolarHBondContact O-N 2.69Å; F418-L420 VanDerWaalsContact C-N 3.34Å; F418-L420 PolarHBondContact O-N 3.3Å; L420-W422 VanDerWaalsContact C-N 3.34Å; L420-Q423 PolarHBondContact O-N 3.49Å; L420-K424 WeakPolarHBondContact O-CG 3.3Å; L420-K424 PolarHBondContact O-N 3.24Å
421I85.7Confident82.9Confident94 Ų9491.3 Ų91.348%0.48249%0.487SS..Hα-helixtrans-61.5-46.2174.8-68.7165.7000109.9T417 F418 K424 I425T417-I421 HydrophobicContact CG2-CD1 4.25Å; T417-I421 VanDerWaalsContact O-CG1 3.29Å; T417-I421 WeakPolarHBondContact O-CG1 3.27Å; T417-I421 PolarHBondContact O-N 2.93Å; F418-I421 PolarHBondContact O-N 3.16Å; I421-K424 PolarHBondContact O-N 3.43Å; I421-I425 HydrophobicContact CG2-CD1 3.88Å; I421-I425 WeakPolarHBondContact O-CG1 3.37Å; I421-I425 PolarHBondContact O-N 3.02Å
422W83.1Confident82.2Confident154 Ų15493.2 Ų93.258%0.58349%0.488SS*.Hα-helixtrans-62.4-42.4177.5-177.1-108.4000113F418 E419 L420 K424 I425 T426F418-W422 WeakPolarHBondContact O-CB 3.25Å; F418-W422 PolarHBondContact O-N 3.27Å; E419-W422 PolarHBondContact O-N 3.09Å; L420-W422 VanDerWaalsContact C-N 3.34Å; W422-K424 VanDerWaalsContact C-N 3.33Å; W422-K424 PolarHBondContact O-N 3.44Å; W422-I425 PolarHBondContact O-N 2.89Å; W422-T426 HydrophobicContact CD2-CG2 4.2Å; W422-T426 HydrophobicContact CH2-CG2 4.48Å; W422-T426 HydrophobicContact CZ2-CG2 3.88Å; W422-T426 WeakPolarHBondContact O-CG2 3.48Å; W422-T426 PolarHBondContact O-N 3.07Å; W422-T426 PolarHBondContact O-OG1 3.02Å
423Q82Confident81.4Confident69 Ų6998.2 Ų98.232%0.32252%0.515SS..Hα-helixtrans-61.3-40.4174.8-76.2177.87.100111.7G329 E419 L420 T426 G427G329-Q423 PolarHBondContact O-NE2 3.18Å; E419-Q423 WeakPolarHBondContact O-CB 3.35Å; E419-Q423 VanDerWaalsContact O-CG 3.23Å; E419-Q423 WeakPolarHBondContact O-CG 3.29Å; E419-Q423 PolarHBondContact O-N 3.2Å; L420-Q423 PolarHBondContact O-N 3.49Å; Q423-T426 PolarHBondContact O-OG1 3.23Å; Q423-G427 PolarHBondContact O-N 3.44Å
424K80.7Confident80.5Confident149 Ų14996.8 Ų96.865%0.64851%0.512SS*.Hα-helixtrans-66.4-42.2175.4-73.4-179.8-179-174.60112.6L420 I421 W422 I428L420-K424 WeakPolarHBondContact O-CG 3.3Å; L420-K424 PolarHBondContact O-N 3.24Å; I421-K424 PolarHBondContact O-N 3.43Å; W422-K424 VanDerWaalsContact C-N 3.33Å; W422-K424 PolarHBondContact O-N 3.44Å; K424-I428 WeakPolarHBondContact O-CG1 3.27Å; K424-I428 PolarHBondContact O-N 3.35Å
425I80Confident79.7Confident81 Ų8196.3 Ų96.342%0.41552%0.515SS..Hα-helixtrans-63.1-48.5177.7-68167.5000110.5I421 W422 I428 F429I421-I425 HydrophobicContact CG2-CD1 3.88Å; I421-I425 WeakPolarHBondContact O-CG1 3.37Å; I421-I425 PolarHBondContact O-N 3.02Å; W422-I425 PolarHBondContact O-N 2.89Å; I425-I428 PolarHBondContact O-N 2.96Å; I425-F429 HydrophobicContact CG2-CE2 4.31Å; I425-F429 WeakPolarHBondContact O-CD2 3.42Å; I425-F429 WeakPolarHBondContact O-CE2 3.49Å
426T77.8Confident78.9Confident59 Ų59102.3 Ų102.336%0.36255%0.546SS..Hα-helixtrans-70.3-31.6-17953.50000113W422 Q423 I428 F429W422-T426 HydrophobicContact CD2-CG2 4.2Å; W422-T426 HydrophobicContact CH2-CG2 4.48Å; W422-T426 HydrophobicContact CZ2-CG2 3.88Å; W422-T426 WeakPolarHBondContact O-CG2 3.48Å; W422-T426 PolarHBondContact O-N 3.07Å; W422-T426 PolarHBondContact O-OG1 3.02Å; Q423-T426 PolarHBondContact O-OG1 3.23Å; T426-I428 VanDerWaalsContact C-N 3.27Å; T426-I428 PolarHBondContact O-N 2.96Å; T426-F429 PolarHBondContact O-N 2.97Å
427G69.6Low78.1Confident45 Ų45105.4 Ų105.446%0.46456%0.556SS.*Hα-helixtrans-69.9-16.3176.800000115.1Q423 F429Q423-G427 PolarHBondContact O-N 3.44Å; G427-F429 VanDerWaalsContact C-N 3.29Å
428I71.1Confident77.5Confident136 Ų136105.2 Ų105.270%0.69755%0.547SS*.THydrogen-bonded Turntrans-74-22.9172.8-68163.7000111.5K424 I425 T426K424-I428 WeakPolarHBondContact O-CG1 3.27Å; K424-I428 PolarHBondContact O-N 3.35Å; I425-I428 PolarHBondContact O-N 2.96Å; T426-I428 VanDerWaalsContact C-N 3.27Å; T426-I428 PolarHBondContact O-N 2.96Å
429F66.1Low76.6Confident176 Ų176100.5 Ų100.577%0.77253%0.534SS*.  trans-1050.6-174.8-59.9-75.1000114.6I425 T426 G427I425-F429 HydrophobicContact CG2-CE2 4.31Å; I425-F429 WeakPolarHBondContact O-CD2 3.42Å; I425-F429 WeakPolarHBondContact O-CE2 3.49Å; T426-F429 PolarHBondContact O-N 2.97Å; G427-F429 VanDerWaalsContact C-N 3.29Å
430A55.6Low76.1Confident142 Ų142102.9 Ų102.9100%1.17455%0.551SS**  trans-105.3017700000109.7

Retrieved 430 of 430 residues in 233.7 ms (Link to these results)

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