G4VI23_SCHMA Loading...

PID domain-containing protein

AlphaFold DB , UniProt , Accession G4VI23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 225 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
1M29.5Very low49.4Very low236 Ų236146 Ų146100%1.16372%0.724SS**  0112.90-83.9172.6151.300107.7N3M1-N3 PolarHBondContact O-N 2.86Å
2L36Very low53.2Low170 Ų170145.1 Ų145.189%0.8971%0.713SS**  trans-67.7122.2176-72.9161.4000108.3L4L2-L4 PolarHBondContact O-N 3.06Å
3N33Very low56.6Low153 Ų153134.5 Ų134.582%0.81866%0.662SS**  trans-63.593-179.9-77.8-40.4000110.3M1 N5M1-N3 PolarHBondContact O-N 2.86Å; N3-N5 PolarHBondContact O-N 2.9Å; N3-N5 VanDerWaalsContact O-N 3.12Å
4L39.9Very low59.5Low168 Ų168130 Ų13088%0.8864%0.641SS**THydrogen-bonded Turntrans-77.616.8178.7-145.583000113.4L2L2-L4 PolarHBondContact O-N 3.06Å
5N32.6Very low62Low152 Ų152122.7 Ų122.781%0.81360%0.604SS**THydrogen-bonded Turntrans-120.717.7-171.2-89.9-9.6000113.5N3 P7N3-N5 PolarHBondContact O-N 2.9Å; N3-N5 VanDerWaalsContact O-N 3.12Å; N5-P7 WeakPolarHBondContact O-CD 3.49Å; N5-P7 VanDerWaalsContact O-N 3.07Å
6E33.3Very low64.1Low170 Ų170115.6 Ų115.679%0.79457%0.571SS**  trans-69.6110.7175.6-158.9159.4-160.600108.8H8E6-H8 PolarHBondContact O-N 3.41Å
7P41.2Very low65.8Low108 Ų108109.5 Ų109.570%0.70155%0.545SS*.  trans-62119.9-178.226.6-31.6000106.1N5 R9N5-P7 WeakPolarHBondContact O-CD 3.49Å; N5-P7 VanDerWaalsContact O-N 3.07Å; P7-R9 PolarHBondContact O-N 3.34Å
8H52.6Low67.4Low142 Ų142108.9 Ų108.966%0.65754%0.539SS*.  trans-36.9109.3178.1-64.3-71000109.2E6 K10E6-H8 PolarHBondContact O-N 3.41Å; H8-K10 WeakPolarHBondContact O-CG 3.3Å; H8-K10 PolarHBondContact O-N 3.22Å
9R67.4Low68.8Low173 Ų173105.2 Ų105.265%0.65352%0.52SS*.  trans-61101.3-170.5-177.1179178.2141.5-0.2107.8P7 L11 E112P7-R9 PolarHBondContact O-N 3.34Å; R9-L11 HydrophobicContact CG-CD2 4.48Å; R9-E112 IonicContact CZ-OE1 3.04Å; R9-E112 IonicContact NE-OE1 2.79Å; R9-E112 PolarHBondContact NE-OE1 3.27Å; R9-E112 VanDerWaalsContact NH2-CD 3.28Å; R9-E112 IonicContact NH2-OE1 2.63Å; R9-E112 PolarHBondContact NH2-OE1 2.84Å; R9-E112 IonicContact NH2-OE2 3.56Å
10K84.6Confident70Confident116 Ų116103.5 Ų103.550%0.50452%0.518SS..PPolyproline II helixtrans-84.8116.1179.6-74.9179.7-175-179.20108.4H8 Y50 V51H8-K10 WeakPolarHBondContact O-CG 3.3Å; H8-K10 PolarHBondContact O-N 3.22Å; K10-Y50 HydrophobicContact CB-CD1 3.95Å; K10-Y50 HydrophobicContact CB-CG 4.46Å; K10-V51 WeakPolarHBondContact CA-O 3.23Å
11L93.3Very high71.1Confident18 Ų1899.6 Ų99.69%0.09450%0.499CS..EExtended strand (participates in β ladder)trans-84.1129.6177.9-60.4171.9000109.6R9 Y50 V51 E112 L113R9-L11 HydrophobicContact CG-CD2 4.48Å; L11-Y50 CarbonylContact O-C 3.53Å; L11-Y50 WeakPolarHBondContact O-CA 3.4Å; L11-V51 HydrophobicContact CB-CB 4.37Å; L11-V51 PolarHBondContact N-O 3.34Å; L11-V51 PolarHBondContact O-N 2.94Å; L11-E112 HydrophobicContact CD2-CG 4.08Å; L11-E112 WeakPolarHBondContact CD2-OE1 3.3Å; L11-L113 HydrophobicContact CD1-CB 4.01Å; L11-L113 HydrophobicContact CD1-CD1 3.64Å; L11-L113 HydrophobicContact CD1-CG 4.45Å
12K95.5Very high74Confident135 Ų13597.5 Ų97.559%0.58749%0.486SS*.EExtended strand (participates in β ladder)trans-79.7125.4175.2-70.8177.7-178.7179.60109.2Y50 P107K12-Y50 HydrophobicContact CD-CE1 4.06Å; K12-Y50 WeakPolarHBondContact CE-OH 3.37Å; K12-Y50 HydrophobicContact CG-CD1 3.84Å; K12-Y50 HydrophobicContact CG-CE1 3.37Å; K12-P107 WeakPolarHBondContact O-CD 3.26Å
13C96.7Very high76.4Confident7 Ų791.8 Ų91.85%0.04746%0.46CS..EExtended strand (participates in β ladder)trans-139.8167.7177.2-570000110.3V49 V51 L104 T105 C106C13-V49 HydrophobicContact CB-CG2 4.09Å; C13-V49 PolarHBondContact N-O 3.05Å; C13-V49 PolarHBondContact O-N 2.86Å; C13-V49 VanDerWaalsContact O-O 3.05Å; C13-V51 HydrophobicContact CB-CG2 4.15Å; C13-L104 HydrophobicContact CB-CD2 3.96Å; C13-T105 CarbonylContact C-O 3.5Å; C13-T105 VanDerWaalsContact CA-O 3.24Å; C13-T105 WeakPolarHBondContact CA-O 3.39Å; C13-T105 WeakPolarHBondContact CB-O 3.44Å; C13-C106 VanDerWaalsContact SG-SG 3.61Å
14L96.8Very high78.9Confident72 Ų7287.3 Ų87.338%0.37743%0.434SS..EExtended strand (participates in β ladder)trans-109135.5159-44.9170.8000108.8W46 L47 P48 L104 T105L14-W46 HydrophobicContact CB-CB 3.84Å; L14-W46 HydrophobicContact CB-CE3 3.96Å; L14-L47 CarbonylContact C-O 3.57Å; L14-L47 WeakPolarHBondContact CA-O 3.46Å; L14-P48 HydrophobicContact CD2-CB 3.76Å; L14-L104 CarbonylContact O-C 3.54Å; L14-L104 VanDerWaalsContact O-CA 3.3Å; L14-L104 WeakPolarHBondContact O-CA 3.4Å; L14-T105 HydrophobicContact CB-CG2 3.64Å; L14-T105 HydrophobicContact CD1-CG2 3.97Å; L14-T105 HydrophobicContact CG-CG2 4Å; L14-T105 PolarHBondContact N-O 3.41Å; L14-T105 PolarHBondContact O-N 2.86Å
15Y97.5Very high80.8Confident21 Ų2180.9 Ų80.98%0.08240%0.4CS..EExtended strand (participates in β ladder)trans-101.4118.6179.9178.4-126000110.2G17 F18 W46 L47 F60 V68 H102 V103 L104Y15-G17 WeakPolarHBondContact CE2-O 3.2Å; Y15-G17 VanDerWaalsContact CZ-C 3.4Å; Y15-G17 VanDerWaalsContact CZ-O 3.3Å; Y15-G17 PolarHBondContact OH-O 3.21Å; Y15-F18 WeakPolarHBondContact OH-CD1 3.39Å; Y15-F18 PolarHBondContact OH-N 3.07Å; Y15-W46 WeakPolarHBondContact O-CA 3.32Å; Y15-L47 PolarHBondContact N-O 2.76Å; Y15-L47 PolarHBondContact O-N 2.84Å; Y15-F60 HydrophobicContact CD2-CD2 4.1Å; Y15-F60 HydrophobicContact CD2-CE2 4.05Å; Y15-F60 HydrophobicContact CE2-CD2 4.32Å; Y15-F60 HydrophobicContact CE2-CE2 4.05Å; Y15-F60 HydrophobicContact CG-CD2 4.34Å; Y15-V68 HydrophobicContact CD1-CG2 4.42Å; Y15-V68 HydrophobicContact CE1-CG2 3.73Å; Y15-H102 HydrophobicContact CE2-CB 4.02Å; Y15-H102 AromaticContact CE2-ND1 3.98Å; Y15-H102 AromaticContact CZ-ND1 3.8Å; Y15-H102 PolarHBondContact OH-ND1 3.47Å; Y15-V103 VanDerWaalsContact CD2-O 3.24Å; Y15-V103 WeakPolarHBondContact CD2-O 3.36Å; Y15-L104 HydrophobicContact CD2-CG 4.17Å
16A95Very high83.2Confident9 Ų975 Ų757%0.07438%0.375CS..EExtended strand (participates in β ladder)trans-80-30.5-179.700000112.1V37 I41 W46 V103A16-V37 HydrophobicContact CB-CG1 3.69Å; A16-I41 WeakPolarHBondContact O-CD1 3.32Å; A16-W46 HydrophobicContact CB-CD2 3.52Å; A16-W46 VanDerWaalsContact CB-CE2 3.47Å; A16-W46 HydrophobicContact CB-CE3 3.71Å; A16-W46 HydrophobicContact CB-CG 4.08Å; A16-W46 HydrophobicContact CB-CH2 3.99Å; A16-W46 HydrophobicContact CB-CZ2 3.79Å; A16-W46 HydrophobicContact CB-CZ3 3.89Å; A16-V103 HydrophobicContact CB-CB 4.12Å; A16-V103 HydrophobicContact CB-CG1 4.11Å; A16-V103 PolarHBondContact N-O 3.04Å
17G93.7Very high85.9Confident12 Ų1269 Ų6912%0.12435%0.348CS..EExtended strand (participates in β ladder)trans130.7-159.8-17200000111.7Y15 V103Y15-G17 WeakPolarHBondContact CE2-O 3.2Å; Y15-G17 VanDerWaalsContact CZ-C 3.4Å; Y15-G17 VanDerWaalsContact CZ-O 3.3Å; Y15-G17 PolarHBondContact OH-O 3.21Å; G17-V103 PolarHBondContact O-N 2.97Å
18F94.9Very high88.4Confident99 Ų9973.7 Ų73.743%0.43435%0.352SS..EExtended strand (participates in β ladder)trans-140.3162.2177.967.6-87.1000111.8Y15 L100 C101Y15-F18 WeakPolarHBondContact OH-CD1 3.39Å; Y15-F18 PolarHBondContact OH-N 3.07Å; F18-L100 HydrophobicContact CD2-CB 4.25Å; F18-L100 HydrophobicContact CD2-CD1 4.09Å; F18-L100 HydrophobicContact CD2-CD2 3.94Å; F18-L100 HydrophobicContact CD2-CG 4.31Å; F18-L100 HydrophobicContact CE2-CD1 4.12Å; F18-L100 HydrophobicContact CE2-CD2 4.06Å; F18-C101 WeakPolarHBondContact CA-O 3.28Å; F18-C101 WeakPolarHBondContact CB-O 3.43Å
19I93.7Very high90.3Very high37 Ų3768.7 Ų68.719%0.1933%0.331CS..EExtended strand (participates in β ladder)trans-134.7145.3168.9-168167.9000109.9I21 A33 T36 V37 C101I19-I21 HydrophobicContact CG2-CG2 4.16Å; I19-A33 HydrophobicContact CG2-CB 3.69Å; I19-T36 HydrophobicContact CD1-CG2 3.42Å; I19-T36 VanDerWaalsContact CD1-CG2 3.42Å; I19-V37 HydrophobicContact CB-CG2 4.03Å; I19-V37 HydrophobicContact CG2-CG2 3.93Å; I19-C101 HydrophobicContact CG2-CB 4.27Å; I19-C101 PolarHBondContact N-O 3.35Å; I19-C101 VanDerWaalsContact N-O 3.16Å; I19-C101 PolarHBondContact O-N 2.78Å
20C93.7Very high91.6Very high71 Ų7160.4 Ų60.448%0.4830%0.3SS..EExtended strand (participates in β ladder)trans-74.1135.7171.3-1660000109.7F99 L100C20-F99 CarbonylContact C-O 3.53Å; C20-F99 WeakPolarHBondContact CA-O 3.31Å; C20-L100 HydrophobicContact CB-CD2 4.22Å
21I92.8Very high92.1Very high22 Ų2255.6 Ų55.611%0.11328%0.28CS..EExtended strand (participates in β ladder)trans-127160.2178.462.7178000110.2I19 S23 T29 A33 I91 F99 C101I19-I21 HydrophobicContact CG2-CG2 4.16Å; I21-S23 WeakPolarHBondContact CD1-O 3.13Å; I21-S23 WeakPolarHBondContact CG1-O 3.27Å; I21-T29 HydrophobicContact CB-CG2 4.18Å; I21-T29 HydrophobicContact CD1-CG2 4.01Å; I21-A33 HydrophobicContact CG2-CB 3.63Å; I21-I91 HydrophobicContact CD1-CD1 3.54Å; I21-I91 HydrophobicContact CD1-CG1 3.85Å; I21-I91 HydrophobicContact CD1-CG2 3.96Å; I21-F99 HydrophobicContact CD1-CB 4.22Å; I21-F99 HydrophobicContact CG1-CB 3.55Å; I21-F99 WeakPolarHBondContact CG1-O 3.45Å; I21-F99 PolarHBondContact N-O 3.34Å; I21-C101 HydrophobicContact CD1-CB 4.19Å; I21-C101 HydrophobicContact CG2-CB 4.2Å
22E88.9Confident92.3Very high193 Ų19360.6 Ų60.690%0.90230%0.303SS*.SBendtrans-85-29-176.1-63.3174.9177.300112.9
23S87.8Confident92.2Very high49 Ų4954.4 Ų54.434%0.34328%0.277SS..  trans-114.2140.9-177.91770000111.7I21 L25I21-S23 WeakPolarHBondContact CD1-O 3.13Å; I21-S23 WeakPolarHBondContact CG1-O 3.27Å; S23-L25 PolarHBondContact OG-N 2.84Å; S23-L25 PolarHBondContact OG-O 2.9Å
24K84.2Confident92.3Very high60 Ų6054 Ų5426%0.26127%0.274SS..SBendtrans-80.3-18.517786.7-170.2-177165.60113.8P76 F77 F99 H222K24-P76 HydrophobicContact CB-CB 4.2Å; K24-P76 HydrophobicContact CB-CG 3.98Å; K24-P76 HydrophobicContact CD-CB 4.42Å; K24-P76 HydrophobicContact CG-CB 4.09Å; K24-P76 HydrophobicContact CG-CG 4.42Å; K24-F77 WeakPolarHBondContact O-CB 3.26Å; K24-F99 HydrophobicContact CB-CD1 3.32Å; K24-F99 HydrophobicContact CB-CD2 4.15Å; K24-F99 HydrophobicContact CB-CE1 3.21Å; K24-F99 HydrophobicContact CB-CE2 4.03Å; K24-F99 HydrophobicContact CB-CG 3.82Å; K24-F99 HydrophobicContact CB-CZ 3.59Å; K24-F99 HydrophobicContact CD-CE1 4.07Å; K24-F99 HydrophobicContact CD-CZ 4.18Å; K24-F99 HydrophobicContact CG-CE1 4.24Å; K24-F99 HydrophobicContact CG-CZ 4.43Å; K24-H222 WeakPolarHBondContact CE-CD2 3.32Å; K24-H222 WeakPolarHBondContact CE-NE2 3.31Å; K24-H222 PolarHBondContact NZ-CD2 2.88Å; K24-H222 PolarHBondContact NZ-NE2 3.03Å
25L80.6Confident92.3Very high33 Ų3354.1 Ų54.117%0.17327%0.273CS..  trans-126.9156.3-175.6-62.1177.2000111S23 P76 F77 D220 H222S23-L25 PolarHBondContact OG-N 2.84Å; S23-L25 PolarHBondContact OG-O 2.9Å; L25-P76 HydrophobicContact CD2-CB 4.26Å; L25-F77 HydrophobicContact CD2-CB 4.05Å; L25-F77 HydrophobicContact CD2-CD2 4.36Å; L25-D220 WeakPolarHBondContact CD1-OD1 3.38Å; L25-D220 WeakPolarHBondContact CD1-OD2 3.36Å; L25-D220 VanDerWaalsContact CD2-OD1 3.22Å; L25-D220 WeakPolarHBondContact CD2-OD1 3.3Å; L25-H222 HydrophobicContact CD1-CB 4.18Å
26G83.7Confident92.2Very high28 Ų2855 Ų5529%0.28928%0.28SS..  trans116.5121.3167.800000112.6R28 T29 M30G26-R28 PolarHBondContact O-N 3.39Å; G26-T29 PolarHBondContact O-N 2.98Å; G26-T29 VanDerWaalsContact O-N 3.16Å; G26-M30 PolarHBondContact O-N 3.06Å
27I88.6Confident92.2Very high45 Ų4554.8 Ų54.823%0.23128%0.278CS..Hα-helixtrans-57.3-35.6176.4-169.154.5000112.1M30 N31 F77 T218I27-M30 HydrophobicContact CD1-CE 3.49Å; I27-M30 VanDerWaalsContact CD1-CE 3.49Å; I27-M30 PolarHBondContact O-N 3.05Å; I27-N31 VanDerWaalsContact O-CB 3.29Å; I27-N31 WeakPolarHBondContact O-CB 3.36Å; I27-N31 PolarHBondContact O-N 3.24Å; I27-N31 PolarHBondContact O-ND2 3.4Å; I27-N31 VanDerWaalsContact O-ND2 3.16Å; I27-F77 HydrophobicContact CB-CZ 4.11Å; I27-F77 HydrophobicContact CD1-CZ 4.33Å; I27-T218 HydrophobicContact CB-CG2 4.11Å; I27-T218 HydrophobicContact CD1-CG2 4.29Å; I27-T218 HydrophobicContact CG1-CG2 4.42Å
28R93.5Very high92.2Very high205 Ų20556.8 Ų56.877%0.77429%0.286SS*.Hα-helixtrans-63.6-49.6177.1-66.1-176.8178.9-166.8-0.1111.3G26 M30 N31 Q32G26-R28 PolarHBondContact O-N 3.39Å; R28-M30 VanDerWaalsContact C-N 3.35Å; R28-M30 PolarHBondContact O-N 2.83Å; R28-N31 PolarHBondContact O-N 2.92Å; R28-Q32 WeakPolarHBondContact O-CB 3.24Å; R28-Q32 VanDerWaalsContact O-CG 3.3Å; R28-Q32 WeakPolarHBondContact O-CG 3.44Å; R28-Q32 PolarHBondContact O-N 3.37Å
29T92.9Very high92.2Very high37 Ų3758.8 Ų58.823%0.22730%0.296CS..Hα-helixtrans-60.4-45.1177.4-53.50000111.1I21 G26 Q32 A33I21-T29 HydrophobicContact CB-CG2 4.18Å; I21-T29 HydrophobicContact CD1-CG2 4.01Å; G26-T29 PolarHBondContact O-N 2.98Å; G26-T29 VanDerWaalsContact O-N 3.16Å; T29-Q32 PolarHBondContact O-N 3.39Å; T29-A33 WeakPolarHBondContact O-CB 3.23Å; T29-A33 PolarHBondContact O-N 2.85Å
30M94.3Very high92.2Very high0 Ų063.8 Ų63.80%032%0.317CS..Hα-helixtrans-62.2-47.3177-171.5-171.376.700111.8G26 I27 R28 Q32 A33 I34 F77 G79 I91G26-M30 PolarHBondContact O-N 3.06Å; I27-M30 HydrophobicContact CD1-CE 3.49Å; I27-M30 VanDerWaalsContact CD1-CE 3.49Å; I27-M30 PolarHBondContact O-N 3.05Å; R28-M30 VanDerWaalsContact C-N 3.35Å; R28-M30 PolarHBondContact O-N 2.83Å; M30-Q32 VanDerWaalsContact C-N 3.34Å; M30-Q32 PolarHBondContact O-N 3.25Å; M30-A33 WeakPolarHBondContact O-CB 3.38Å; M30-A33 PolarHBondContact O-N 3.08Å; M30-I34 HydrophobicContact CE-CD1 4.08Å; M30-I34 HydrophobicContact CG-CD1 3.96Å; M30-I34 VanDerWaalsContact O-CG1 3.3Å; M30-I34 WeakPolarHBondContact O-CG1 3.13Å; M30-I34 PolarHBondContact O-N 3.5Å; M30-F77 HydrophobicContact CB-CD1 4.29Å; M30-F77 HydrophobicContact CB-CE1 3.86Å; M30-F77 HydrophobicContact CE-CE1 4.25Å; M30-F77 HydrophobicContact CG-CE1 4.29Å; M30-F77 HydrophobicContact SD-CD1 3.9Å; M30-F77 HydrophobicContact SD-CE1 3.57Å; M30-F77 VanDerWaalsContact SD-CE1 3.57Å; M30-G79 VanDerWaalsContact CE-C 3.43Å; M30-G79 WeakPolarHBondContact CE-O 3.27Å; M30-G79 PolarHBondContact SD-N 3.14Å; M30-G79 VanDerWaalsContact SD-N 3.43Å; M30-I91 HydrophobicContact CB-CD1 4.27Å
31N96.4Very high92Very high14 Ų1461.4 Ų61.48%0.07530%0.299CS..Hα-helixtrans-63.3-38.4179-74.7-28.8000112.3I27 R28 Q35 Y81 N82I27-N31 VanDerWaalsContact O-CB 3.29Å; I27-N31 WeakPolarHBondContact O-CB 3.36Å; I27-N31 PolarHBondContact O-N 3.24Å; I27-N31 PolarHBondContact O-ND2 3.4Å; I27-N31 VanDerWaalsContact O-ND2 3.16Å; R28-N31 PolarHBondContact O-N 2.92Å; N31-Q35 WeakPolarHBondContact O-CB 3.46Å; N31-Q35 PolarHBondContact O-N 3.45Å; N31-Y81 HydrophobicContact CB-CD2 4.17Å; N31-Y81 HydrophobicContact CB-CE2 3.97Å; N31-Y81 WeakPolarHBondContact O-CE2 3.42Å; N31-Y81 WeakPolarHBondContact OD1-CD2 3.48Å; N31-N82 VanDerWaalsContact ND2-CG 3.27Å; N31-N82 PolarHBondContact OD1-N 3.36Å
32Q96.5Very high91.9Very high124 Ų12465.5 Ų65.558%0.57932%0.317SS*.Hα-helixtrans-64.5-42173.6-74.5171.7-24.200111.8R28 T29 M30 Q35 T36R28-Q32 WeakPolarHBondContact O-CB 3.24Å; R28-Q32 VanDerWaalsContact O-CG 3.3Å; R28-Q32 WeakPolarHBondContact O-CG 3.44Å; R28-Q32 PolarHBondContact O-N 3.37Å; T29-Q32 PolarHBondContact O-N 3.39Å; M30-Q32 VanDerWaalsContact C-N 3.34Å; M30-Q32 PolarHBondContact O-N 3.25Å; Q32-Q35 PolarHBondContact O-N 2.84Å; Q32-T36 WeakPolarHBondContact O-CB 3.41Å; Q32-T36 PolarHBondContact O-N 2.86Å; Q32-T36 PolarHBondContact O-OG1 3.48Å
33A95.1Very high91.9Very high4 Ų460 Ų603%0.03330%0.299CS..Hα-helixtrans-62.8-46.4176.500000111.7I19 I21 T29 M30 T36 V37 C101I19-A33 HydrophobicContact CG2-CB 3.69Å; I21-A33 HydrophobicContact CG2-CB 3.63Å; T29-A33 WeakPolarHBondContact O-CB 3.23Å; T29-A33 PolarHBondContact O-N 2.85Å; M30-A33 WeakPolarHBondContact O-CB 3.38Å; M30-A33 PolarHBondContact O-N 3.08Å; A33-T36 PolarHBondContact O-N 3.47Å; A33-V37 WeakPolarHBondContact O-CG2 3.03Å; A33-V37 PolarHBondContact O-N 2.8Å; A33-C101 HydrophobicContact CB-CB 3.74Å
34I97Very high92Very high0 Ų064.7 Ų64.70%032%0.32CS..Hα-helixtrans-57.1-53.5174.1-68.1165.2000109.6M30 T36 V37 L38 Y81 I87 V103M30-I34 HydrophobicContact CE-CD1 4.08Å; M30-I34 HydrophobicContact CG-CD1 3.96Å; M30-I34 VanDerWaalsContact O-CG1 3.3Å; M30-I34 WeakPolarHBondContact O-CG1 3.13Å; M30-I34 PolarHBondContact O-N 3.5Å; I34-T36 PolarHBondContact O-N 3.26Å; I34-V37 WeakPolarHBondContact O-CB 3.49Å; I34-V37 PolarHBondContact O-N 3.43Å; I34-L38 HydrophobicContact CG2-CD1 3.9Å; I34-L38 HydrophobicContact CG2-CG 4.1Å; I34-L38 VanDerWaalsContact O-CG 3.31Å; I34-L38 WeakPolarHBondContact O-CG 3.24Å; I34-L38 PolarHBondContact O-N 2.79Å; I34-Y81 HydrophobicContact CB-CD2 3.82Å; I34-Y81 HydrophobicContact CB-CE2 4.04Å; I34-Y81 HydrophobicContact CB-CG 4.41Å; I34-Y81 HydrophobicContact CD1-CD2 3.82Å; I34-Y81 HydrophobicContact CD1-CG 4.22Å; I34-Y81 HydrophobicContact CG1-CD2 4.43Å; I34-Y81 HydrophobicContact CG2-CD1 4.02Å; I34-Y81 HydrophobicContact CG2-CD2 3.54Å; I34-Y81 HydrophobicContact CG2-CE1 4.24Å; I34-Y81 HydrophobicContact CG2-CE2 3.83Å; I34-Y81 HydrophobicContact CG2-CG 3.68Å; I34-I87 HydrophobicContact CG2-CG2 3.65Å; I34-V103 HydrophobicContact CB-CG2 4.48Å; I34-V103 HydrophobicContact CG1-CG1 4.35Å; I34-V103 HydrophobicContact CG1-CG2 3.94Å; I34-V103 HydrophobicContact CG2-CG1 4.18Å
35Q97Very high92.3Very high73 Ų7365.2 Ų65.234%0.34132%0.323SS..Hα-helixtrans-54-41.9178.9-177.6172.9-19.200112.3N31 Q32 L38 Q39N31-Q35 WeakPolarHBondContact O-CB 3.46Å; N31-Q35 PolarHBondContact O-N 3.45Å; Q32-Q35 PolarHBondContact O-N 2.84Å; Q35-L38 PolarHBondContact O-N 3.29Å; Q35-Q39 WeakPolarHBondContact O-CG 3.36Å; Q35-Q39 PolarHBondContact O-N 2.8Å
36T95.6Very high93Very high40 Ų4064.9 Ų64.925%0.24532%0.32CS..Hα-helixtrans-65-39.4178.2-55.10000112.1I19 Q32 A33 I34 K40I19-T36 HydrophobicContact CD1-CG2 3.42Å; I19-T36 VanDerWaalsContact CD1-CG2 3.42Å; Q32-T36 WeakPolarHBondContact O-CB 3.41Å; Q32-T36 PolarHBondContact O-N 2.86Å; Q32-T36 PolarHBondContact O-OG1 3.48Å; A33-T36 PolarHBondContact O-N 3.47Å; I34-T36 PolarHBondContact O-N 3.26Å; T36-K40 HydrophobicContact CG2-CD 4.11Å; T36-K40 VanDerWaalsContact O-CG 3.32Å; T36-K40 WeakPolarHBondContact O-CG 3.37Å; T36-K40 PolarHBondContact O-N 2.81Å
37V94.3Very high93.5Very high4 Ų466 Ų662%0.02432%0.319CS..Hα-helixtrans-65.9-45.1175.4170.70000110.7A16 I19 A33 I34 Q39 K40 I41 V103A16-V37 HydrophobicContact CB-CG1 3.69Å; I19-V37 HydrophobicContact CB-CG2 4.03Å; I19-V37 HydrophobicContact CG2-CG2 3.93Å; A33-V37 WeakPolarHBondContact O-CG2 3.03Å; A33-V37 PolarHBondContact O-N 2.8Å; I34-V37 WeakPolarHBondContact O-CB 3.49Å; I34-V37 PolarHBondContact O-N 3.43Å; V37-Q39 VanDerWaalsContact C-N 3.28Å; V37-Q39 PolarHBondContact O-N 2.83Å; V37-K40 PolarHBondContact O-N 3.05Å; V37-I41 HydrophobicContact CG1-CD1 4.12Å; V37-I41 PolarHBondContact O-N 2.82Å; V37-V103 HydrophobicContact CB-CB 4.48Å; V37-V103 HydrophobicContact CB-CG2 3.96Å; V37-V103 HydrophobicContact CG1-CB 4.08Å; V37-V103 HydrophobicContact CG1-CG1 4.37Å; V37-V103 HydrophobicContact CG1-CG2 4.08Å; V37-V103 HydrophobicContact CG2-CG2 3.85Å
38L95.4Very high93.9Very high54 Ų5467.4 Ų67.428%0.28333%0.331SS..Hα-helixtrans-61.4-34.9179-60.8-178.3000112.7I34 Q35 W46 Y81 I87I34-L38 HydrophobicContact CG2-CD1 3.9Å; I34-L38 HydrophobicContact CG2-CG 4.1Å; I34-L38 VanDerWaalsContact O-CG 3.31Å; I34-L38 WeakPolarHBondContact O-CG 3.24Å; I34-L38 PolarHBondContact O-N 2.79Å; Q35-L38 PolarHBondContact O-N 3.29Å; L38-W46 HydrophobicContact CD2-CH2 3.59Å; L38-W46 HydrophobicContact CD2-CZ2 3.32Å; L38-Y81 HydrophobicContact CD1-CD1 4.42Å; L38-Y81 HydrophobicContact CD1-CE1 3.91Å; L38-I87 HydrophobicContact CD1-CD1 3.85Å; L38-I87 HydrophobicContact CD2-CD1 3.97Å
39Q94.9Very high94Very high142 Ų14257.8 Ų57.866%0.66430%0.295SS*.Hα-helixtrans-71.3-29.8175.2-73.6173.9-15.900113Q35 V37Q35-Q39 WeakPolarHBondContact O-CG 3.36Å; Q35-Q39 PolarHBondContact O-N 2.8Å; V37-Q39 VanDerWaalsContact C-N 3.28Å; V37-Q39 PolarHBondContact O-N 2.83Å
40K92.4Very high94.1Very high141 Ų14160.7 Ų60.761%0.61330%0.302SS*.Hα-helixtrans-92-26.2-175.2-72.9176.2-179.9174.80113.6T36 V37T36-K40 HydrophobicContact CG2-CD 4.11Å; T36-K40 VanDerWaalsContact O-CG 3.32Å; T36-K40 WeakPolarHBondContact O-CG 3.37Å; T36-K40 PolarHBondContact O-N 2.81Å; V37-K40 PolarHBondContact O-N 3.05Å
41I90.4Very high94.2Very high22 Ų2260.7 Ų60.711%0.11330%0.302CS..SBendtrans-126.5109-168.7-53.3-174.6000109.6A16 V37 Q45 W46A16-I41 WeakPolarHBondContact O-CD1 3.32Å; V37-I41 HydrophobicContact CG1-CD1 4.12Å; V37-I41 PolarHBondContact O-N 2.82Å; I41-Q45 HydrophobicContact CG2-CB 3.97Å; I41-W46 PolarHBondContact O-NE1 3.2Å
42H90.5Very high94.1Very high107 Ų10760.6 Ų60.650%0.49530%0.303SS..  trans-63.4140.8179.1-170.9-86.4000110.6N44 Q45 W46H42-N44 PolarHBondContact ND1-N 2.78Å; H42-N44 PolarHBondContact O-N 3.29Å; H42-N44 VanDerWaalsContact O-N 3.08Å; H42-Q45 HydrophobicContact CB-CG 4.3Å; H42-Q45 VanDerWaalsContact O-CB 3.31Å; H42-Q45 WeakPolarHBondContact O-CB 3.39Å; H42-Q45 PolarHBondContact O-N 2.88Å; H42-W46 VanDerWaalsContact O-CD1 3.24Å
43P89.6Confident94Very high79 Ų7955.9 Ų55.951%0.51328%0.281SS..G310 helixtrans-47.2-40.3-180-32.536.9000115.2Q45 W46P43-Q45 PolarHBondContact O-N 2.85Å; P43-W46 VanDerWaalsContact CA-CD1 3.49Å; P43-W46 WeakPolarHBondContact O-CB 3.3Å; P43-W46 VanDerWaalsContact O-CD1 3.29Å; P43-W46 PolarHBondContact O-N 2.81Å
44N89.9Confident93.9Very high146 Ų14657.1 Ų57.178%0.78129%0.289SS*.G310 helixtrans-64.1-9.9177.3-60.8-5.1000114.8H42H42-N44 PolarHBondContact ND1-N 2.78Å; H42-N44 PolarHBondContact O-N 3.29Å; H42-N44 VanDerWaalsContact O-N 3.08Å
45Q90.1Very high93.4Very high71 Ų7159.4 Ų59.433%0.33231%0.305SS..G310 helixtrans-96.8-4.2177.6-59.1-179.8-22.100112.6I41 H42 P43 Y185I41-Q45 HydrophobicContact CG2-CB 3.97Å; H42-Q45 HydrophobicContact CB-CG 4.3Å; H42-Q45 VanDerWaalsContact O-CB 3.31Å; H42-Q45 WeakPolarHBondContact O-CB 3.39Å; H42-Q45 PolarHBondContact O-N 2.88Å; P43-Q45 PolarHBondContact O-N 2.85Å; Q45-Y185 PolarHBondContact OE1-OH 2.92Å
46W95.2Very high93.1Very high26 Ų2658.6 Ų58.610%0.09831%0.307CS..  trans-73.4140.1-177-65.330000110.4L14 Y15 A16 L38 I41 H42 P43 I87 T105L14-W46 HydrophobicContact CB-CB 3.84Å; L14-W46 HydrophobicContact CB-CE3 3.96Å; Y15-W46 WeakPolarHBondContact O-CA 3.32Å; A16-W46 HydrophobicContact CB-CD2 3.52Å; A16-W46 VanDerWaalsContact CB-CE2 3.47Å; A16-W46 HydrophobicContact CB-CE3 3.71Å; A16-W46 HydrophobicContact CB-CG 4.08Å; A16-W46 HydrophobicContact CB-CH2 3.99Å; A16-W46 HydrophobicContact CB-CZ2 3.79Å; A16-W46 HydrophobicContact CB-CZ3 3.89Å; L38-W46 HydrophobicContact CD2-CH2 3.59Å; L38-W46 HydrophobicContact CD2-CZ2 3.32Å; I41-W46 PolarHBondContact O-NE1 3.2Å; H42-W46 VanDerWaalsContact O-CD1 3.24Å; P43-W46 VanDerWaalsContact CA-CD1 3.49Å; P43-W46 WeakPolarHBondContact O-CB 3.3Å; P43-W46 VanDerWaalsContact O-CD1 3.29Å; P43-W46 PolarHBondContact O-N 2.81Å; W46-I87 HydrophobicContact CH2-CD1 4.3Å; W46-I87 HydrophobicContact CH2-CG1 4.45Å; W46-T105 HydrophobicContact CE3-CG2 3.39Å; W46-T105 HydrophobicContact CH2-CG2 4.2Å; W46-T105 HydrophobicContact CZ3-CG2 3.22Å
47L94.5Very high93Very high53 Ų5358.4 Ų58.428%0.27731%0.306SS..EExtended strand (participates in β ladder)trans-89122.8-173.4-169.270.7000110.1L14 Y15 V49 Y62 V67L14-L47 CarbonylContact C-O 3.57Å; L14-L47 WeakPolarHBondContact CA-O 3.46Å; Y15-L47 PolarHBondContact N-O 2.76Å; Y15-L47 PolarHBondContact O-N 2.84Å; L47-V49 HydrophobicContact CD2-CG1 4.19Å; L47-V49 HydrophobicContact CG-CG1 4.25Å; L47-V49 PolarHBondContact O-N 2.86Å; L47-Y62 HydrophobicContact CD1-CD1 4.21Å; L47-Y62 HydrophobicContact CD1-CD2 3.39Å; L47-Y62 HydrophobicContact CD1-CE1 4.19Å; L47-Y62 HydrophobicContact CD1-CE2 3.39Å; L47-Y62 HydrophobicContact CD1-CG 3.83Å; L47-Y62 HydrophobicContact CD2-CD2 4.05Å; L47-Y62 HydrophobicContact CD2-CG 3.91Å; L47-Y62 HydrophobicContact CG-CD2 3.51Å; L47-Y62 HydrophobicContact CG-CE2 4.01Å; L47-Y62 HydrophobicContact CG-CG 3.91Å; L47-V67 HydrophobicContact CD2-CB 4.46Å; L47-V67 HydrophobicContact CD2-CG1 4.11Å; L47-V67 HydrophobicContact CD2-CG2 4.18Å
48P95.7Very high93Very high73 Ų7358.2 Ų58.247%0.47431%0.305SS..EExtended strand (participates in β ladder)trans-70.7115.5177.627.7-33.2000110.7L14 Y62L14-P48 HydrophobicContact CD2-CB 3.76Å; P48-Y62 HydrophobicContact CG-CD2 4.35Å; P48-Y62 HydrophobicContact CG-CE2 3.93Å; P48-Y62 VanDerWaalsContact O-CD2 3.28Å; P48-Y62 WeakPolarHBondContact O-CD2 3.3Å
49V95.6Very high93Very high3 Ų356.6 Ų56.62%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-121.9151.4-176.1-63.50000112.2C13 L47 V51 F60 F61 V67 L104C13-V49 HydrophobicContact CB-CG2 4.09Å; C13-V49 PolarHBondContact N-O 3.05Å; C13-V49 PolarHBondContact O-N 2.86Å; C13-V49 VanDerWaalsContact O-O 3.05Å; L47-V49 HydrophobicContact CD2-CG1 4.19Å; L47-V49 HydrophobicContact CG-CG1 4.25Å; L47-V49 PolarHBondContact O-N 2.86Å; V49-V51 HydrophobicContact CG2-CG2 4.23Å; V49-F60 HydrophobicContact CB-CB 4.29Å; V49-F60 HydrophobicContact CG1-CB 4.39Å; V49-F60 HydrophobicContact CG2-CB 4.41Å; V49-F61 CarbonylContact C-O 3.51Å; V49-F61 WeakPolarHBondContact CA-O 3.17Å; V49-V67 HydrophobicContact CG1-CG2 3.97Å; V49-L104 HydrophobicContact CG2-CD2 4.37Å
50Y95.5Very high93Very high98 Ų9849.8 Ų49.838%0.38426%0.264SS..EExtended strand (participates in β ladder)trans-98.3120.1162.5-71.6-82.6000109.1K10 L11 K12 F61K10-Y50 HydrophobicContact CB-CD1 3.95Å; K10-Y50 HydrophobicContact CB-CG 4.46Å; L11-Y50 CarbonylContact O-C 3.53Å; L11-Y50 WeakPolarHBondContact O-CA 3.4Å; K12-Y50 HydrophobicContact CD-CE1 4.06Å; K12-Y50 WeakPolarHBondContact CE-OH 3.37Å; K12-Y50 HydrophobicContact CG-CD1 3.84Å; K12-Y50 HydrophobicContact CG-CE1 3.37Å; Y50-F61 PolarHBondContact N-O 2.79Å; Y50-F61 PolarHBondContact O-N 2.63Å
51V96.2Very high93.1Very high0 Ų044.9 Ų44.90%024%0.243CC..EExtended strand (participates in β ladder)trans-91.3120.1175.6-176.40000109K10 L11 C13 V49 I53 V58 N59 F60 L104 L113K10-V51 WeakPolarHBondContact CA-O 3.23Å; L11-V51 HydrophobicContact CB-CB 4.37Å; L11-V51 PolarHBondContact N-O 3.34Å; L11-V51 PolarHBondContact O-N 2.94Å; C13-V51 HydrophobicContact CB-CG2 4.15Å; V49-V51 HydrophobicContact CG2-CG2 4.23Å; V51-I53 HydrophobicContact CG1-CD1 4.37Å; V51-I53 HydrophobicContact CG1-CG1 4.1Å; V51-V58 HydrophobicContact CG1-CG1 3.87Å; V51-N59 WeakPolarHBondContact CA-O 3.3Å; V51-F60 HydrophobicContact CB-CD1 4.27Å; V51-F60 HydrophobicContact CG1-CD1 3.86Å; V51-F60 HydrophobicContact CG1-CE1 3.86Å; V51-F60 HydrophobicContact CG2-CD1 3.77Å; V51-F60 HydrophobicContact CG2-CE1 4.1Å; V51-F60 HydrophobicContact CG2-CG 4.4Å; V51-L104 HydrophobicContact CG2-CD2 3.65Å; V51-L113 HydrophobicContact CB-CD1 4.31Å; V51-L113 HydrophobicContact CG1-CD1 3.82Å
52S95Very high93.1Very high13 Ų1347.8 Ų47.89%0.09125%0.253CS..EExtended strand (participates in β ladder)trans-110.5126.6173.3-169.20000109V58 N59S52-V58 WeakPolarHBondContact O-CA 3Å; S52-N59 PolarHBondContact N-O 3.36Å; S52-N59 PolarHBondContact O-N 3.37Å
53I94.8Very high93Very high25 Ų2549.1 Ų49.113%0.12826%0.26CS..EExtended strand (participates in β ladder)trans-114.2125.8179.6-62.5166.8000108.3V51 V58 L113 T116 L117 A120V51-I53 HydrophobicContact CG1-CD1 4.37Å; V51-I53 HydrophobicContact CG1-CG1 4.1Å; I53-V58 HydrophobicContact CG1-CG1 3.93Å; I53-V58 HydrophobicContact CG1-CG2 4.26Å; I53-V58 HydrophobicContact CG2-CG2 4.43Å; I53-L113 HydrophobicContact CD1-CD1 3.79Å; I53-T116 HydrophobicContact CB-CG2 3.98Å; I53-T116 HydrophobicContact CD1-CG2 3.63Å; I53-T116 HydrophobicContact CG1-CG2 4.36Å; I53-T116 HydrophobicContact CG2-CG2 4.21Å; I53-L117 HydrophobicContact CD1-CB 4.26Å; I53-A120 HydrophobicContact CG2-CB 3.43Å; I53-A120 VanDerWaalsContact CG2-CB 3.43Å
54S91.9Very high92.9Very high29 Ų2954.6 Ų54.620%0.20328%0.276CS..  trans-117166.4167.976.80000109.1S56 T57S54-S56 PolarHBondContact O-N 2.82Å; S54-S56 PolarHBondContact OG-N 2.82Å; S54-S56 PolarHBondContact OG-OG 3.29Å; S54-T57 PolarHBondContact N-O 2.91Å; S54-T57 PolarHBondContact O-N 3.27Å; S54-T57 PolarHBondContact OG-N 3.15Å; S54-T57 PolarHBondContact OG-O 2.93Å; S54-T57 PolarHBondContact OG-OG1 3.39Å
55P87.6Confident92.9Very high49 Ų4954 Ų5432%0.31827%0.267SS..SBendtrans-59.2-20.7178-23.634.3000113.5L123 R124P55-L123 HydrophobicContact CB-CD2 3.91Å; P55-L123 HydrophobicContact CB-CG 4.24Å; P55-L123 HydrophobicContact CG-CD2 3.59Å; P55-L123 HydrophobicContact CG-CG 4.44Å; P55-R124 VanDerWaalsContact O-CB 3.27Å; P55-R124 WeakPolarHBondContact O-CB 3.38Å; P55-R124 WeakPolarHBondContact O-CD 3.3Å; P55-R124 WeakPolarHBondContact O-CG 3.44Å
56S89.7Confident93Very high56 Ų5654.9 Ų54.939%0.39227%0.274SS..SBendtrans-107.3-25.7-179.156.30000114.3S54 I72S54-S56 PolarHBondContact O-N 2.82Å; S54-S56 PolarHBondContact OG-N 2.82Å; S54-S56 PolarHBondContact OG-OG 3.29Å; S56-I72 PolarHBondContact O-N 3.45Å
57T93.8Very high92.9Very high35 Ų3556.7 Ų56.722%0.21529%0.287CS..EExtended strand (participates in β ladder)trans-143.4152.4-169.562.60000113.3S54 N59 L70S54-T57 PolarHBondContact N-O 2.91Å; S54-T57 PolarHBondContact O-N 3.27Å; S54-T57 PolarHBondContact OG-N 3.15Å; S54-T57 PolarHBondContact OG-O 2.93Å; S54-T57 PolarHBondContact OG-OG1 3.39Å; T57-N59 PolarHBondContact OG1-ND2 2.89Å; T57-L70 CarbonylContact C-O 3.5Å; T57-L70 VanDerWaalsContact CA-O 3.26Å; T57-L70 WeakPolarHBondContact CA-O 3.14Å
58V94.9Very high92.9Very high1 Ų154.9 Ų54.91%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-120.7125.4166.8-1740000108.1V51 S52 I53 F60 L70 I72 L117V51-V58 HydrophobicContact CG1-CG1 3.87Å; S52-V58 WeakPolarHBondContact O-CA 3Å; I53-V58 HydrophobicContact CG1-CG1 3.93Å; I53-V58 HydrophobicContact CG1-CG2 4.26Å; I53-V58 HydrophobicContact CG2-CG2 4.43Å; V58-F60 HydrophobicContact CG1-CD1 4.22Å; V58-F60 HydrophobicContact CG1-CE1 3.67Å; V58-L70 HydrophobicContact CB-CB 4.11Å; V58-L70 HydrophobicContact CB-CD1 4.28Å; V58-L70 HydrophobicContact CG1-CD1 4.49Å; V58-L70 PolarHBondContact N-O 3.41Å; V58-L70 PolarHBondContact O-N 2.89Å; V58-I72 HydrophobicContact CG2-CD1 3.48Å; V58-I72 VanDerWaalsContact CG2-CD1 3.48Å; V58-I72 HydrophobicContact CG2-CG1 4.35Å; V58-L117 HydrophobicContact CG2-CD1 3.59Å
59N95.4Very high92.8Very high19 Ų1955.5 Ų55.510%0.10228%0.278CS..EExtended strand (participates in β ladder)trans-122.8129.8-176.7-67.4-64.6000110.4V51 S52 T57 F61 I66 V68 N69V51-N59 WeakPolarHBondContact CA-O 3.3Å; S52-N59 PolarHBondContact N-O 3.36Å; S52-N59 PolarHBondContact O-N 3.37Å; T57-N59 PolarHBondContact OG1-ND2 2.89Å; N59-F61 HydrophobicContact CB-CD2 4.1Å; N59-F61 HydrophobicContact CB-CE2 3.42Å; N59-F61 VanDerWaalsContact CB-CE2 3.42Å; N59-F61 HydrophobicContact CB-CZ 3.87Å; N59-I66 HydrophobicContact CB-CG2 4.49Å; N59-V68 WeakPolarHBondContact CA-O 3.48Å; N59-N69 PolarHBondContact OD1-ND2 3.29Å
60F94.8Very high92.7Very high0 Ų055.4 Ų55.40%028%0.277CS..EExtended strand (participates in β ladder)trans-100.4118.7170.7-54.2-8.1000108.1Y15 V49 V51 V58 I66 V67 V68 L70 I90 H102 L104Y15-F60 HydrophobicContact CD2-CD2 4.1Å; Y15-F60 HydrophobicContact CD2-CE2 4.05Å; Y15-F60 HydrophobicContact CE2-CD2 4.32Å; Y15-F60 HydrophobicContact CE2-CE2 4.05Å; Y15-F60 HydrophobicContact CG-CD2 4.34Å; V49-F60 HydrophobicContact CB-CB 4.29Å; V49-F60 HydrophobicContact CG1-CB 4.39Å; V49-F60 HydrophobicContact CG2-CB 4.41Å; V51-F60 HydrophobicContact CB-CD1 4.27Å; V51-F60 HydrophobicContact CG1-CD1 3.86Å; V51-F60 HydrophobicContact CG1-CE1 3.86Å; V51-F60 HydrophobicContact CG2-CD1 3.77Å; V51-F60 HydrophobicContact CG2-CE1 4.1Å; V51-F60 HydrophobicContact CG2-CG 4.4Å; V58-F60 HydrophobicContact CG1-CD1 4.22Å; V58-F60 HydrophobicContact CG1-CE1 3.67Å; F60-I66 WeakPolarHBondContact O-CA 3.28Å; F60-V67 HydrophobicContact CB-CG2 3.97Å; F60-V67 VanDerWaalsContact O-CG2 3.3Å; F60-V67 WeakPolarHBondContact O-CG2 3.41Å; F60-V67 PolarHBondContact O-N 3.14Å; F60-V68 HydrophobicContact CB-CB 3.96Å; F60-V68 HydrophobicContact CB-CG2 4.44Å; F60-V68 HydrophobicContact CD2-CB 3.47Å; F60-V68 VanDerWaalsContact CD2-CB 3.47Å; F60-V68 HydrophobicContact CD2-CG1 3.96Å; F60-V68 HydrophobicContact CD2-CG2 3.61Å; F60-V68 HydrophobicContact CE2-CB 4.03Å; F60-V68 HydrophobicContact CE2-CG1 3.99Å; F60-V68 HydrophobicContact CE2-CG2 4.18Å; F60-V68 HydrophobicContact CG-CB 3.82Å; F60-V68 HydrophobicContact CG-CG1 4.45Å; F60-V68 HydrophobicContact CG-CG2 4.35Å; F60-V68 PolarHBondContact N-O 3.12Å; F60-L70 HydrophobicContact CE1-CD1 4.43Å; F60-L70 HydrophobicContact CZ-CD1 4.12Å; F60-I90 HydrophobicContact CZ-CD1 4.12Å; F60-H102 HydrophobicContact CE2-CB 4.34Å; F60-L104 HydrophobicContact CD2-CD2 4.28Å; F60-L104 HydrophobicContact CE1-CD2 4.23Å; F60-L104 HydrophobicContact CE2-CD1 3.93Å; F60-L104 HydrophobicContact CE2-CD2 3.93Å; F60-L104 HydrophobicContact CE2-CG 4.21Å; F60-L104 HydrophobicContact CZ-CD1 3.77Å; F60-L104 HydrophobicContact CZ-CD2 3.93Å; F60-L104 HydrophobicContact CZ-CG 4.35Å
61F93.4Very high92.6Very high38 Ų3857.9 Ų57.917%0.16729%0.286CS..EExtended strand (participates in β ladder)trans-102.9121-179.8-66.9-91.5000110.4V49 Y50 N59 H65 I66V49-F61 CarbonylContact C-O 3.51Å; V49-F61 WeakPolarHBondContact CA-O 3.17Å; Y50-F61 PolarHBondContact N-O 2.79Å; Y50-F61 PolarHBondContact O-N 2.63Å; N59-F61 HydrophobicContact CB-CD2 4.1Å; N59-F61 HydrophobicContact CB-CE2 3.42Å; N59-F61 VanDerWaalsContact CB-CE2 3.42Å; N59-F61 HydrophobicContact CB-CZ 3.87Å; F61-H65 CarbonylContact C-O 3.55Å; F61-H65 WeakPolarHBondContact CA-O 3.3Å; F61-I66 HydrophobicContact CD1-CG1 3.73Å; F61-I66 HydrophobicContact CE1-CD1 3.91Å; F61-I66 HydrophobicContact CE1-CG1 3.3Å; F61-I66 HydrophobicContact CZ-CD1 4.12Å; F61-I66 HydrophobicContact CZ-CG1 3.83Å
62Y91.4Very high92.3Very high82 Ų8258.3 Ų58.332%0.32229%0.288SS..EExtended strand (participates in β ladder)trans-98115.2161.3178.4-112000107.8L47 P48 K64 H65L47-Y62 HydrophobicContact CD1-CD1 4.21Å; L47-Y62 HydrophobicContact CD1-CD2 3.39Å; L47-Y62 HydrophobicContact CD1-CE1 4.19Å; L47-Y62 HydrophobicContact CD1-CE2 3.39Å; L47-Y62 HydrophobicContact CD1-CG 3.83Å; L47-Y62 HydrophobicContact CD2-CD2 4.05Å; L47-Y62 HydrophobicContact CD2-CG 3.91Å; L47-Y62 HydrophobicContact CG-CD2 3.51Å; L47-Y62 HydrophobicContact CG-CE2 4.01Å; L47-Y62 HydrophobicContact CG-CG 3.91Å; P48-Y62 HydrophobicContact CG-CD2 4.35Å; P48-Y62 HydrophobicContact CG-CE2 3.93Å; P48-Y62 VanDerWaalsContact O-CD2 3.28Å; P48-Y62 WeakPolarHBondContact O-CD2 3.3Å; Y62-K64 PolarHBondContact O-N 2.87Å; Y62-K64 VanDerWaalsContact O-N 3.07Å; Y62-H65 PolarHBondContact N-O 3.04Å; Y62-H65 PolarHBondContact O-N 2.83Å
63Q88.9Confident92Very high135 Ų13560.6 Ų60.663%0.63130%0.303SS*.THydrogen-bonded Turntrans55-111.2-170.6-54.5174.5-10.200111.1
64K87.3Confident91.7Very high195 Ų19559.8 Ų59.885%0.84830%0.3SS*.THydrogen-bonded Turntrans-104.5-0.3178.2-63.1-177.6-179.2178.70113.5Y62Y62-K64 PolarHBondContact O-N 2.87Å; Y62-K64 VanDerWaalsContact O-N 3.07Å
65H90Very high91.7Very high132 Ų13258.8 Ų58.861%0.61129%0.293SS*.EExtended strand (participates in β ladder)trans-106.3137.3-174.5-61.1-74.1000111.8F61 Y62 V67F61-H65 CarbonylContact C-O 3.55Å; F61-H65 WeakPolarHBondContact CA-O 3.3Å; Y62-H65 PolarHBondContact N-O 3.04Å; Y62-H65 PolarHBondContact O-N 2.83Å; H65-V67 PolarHBondContact O-N 2.93Å
66I92.1Very high91.8Very high90 Ų9057.4 Ų57.446%0.46228%0.284SS..EExtended strand (participates in β ladder)trans-76.8116.1171.3-60.3171.4000107.9N59 F60 F61 V68 N69N59-I66 HydrophobicContact CB-CG2 4.49Å; F60-I66 WeakPolarHBondContact O-CA 3.28Å; F61-I66 HydrophobicContact CD1-CG1 3.73Å; F61-I66 HydrophobicContact CE1-CD1 3.91Å; F61-I66 HydrophobicContact CE1-CG1 3.3Å; F61-I66 HydrophobicContact CZ-CD1 4.12Å; F61-I66 HydrophobicContact CZ-CG1 3.83Å; I66-V68 VanDerWaalsContact CG2-O 3.32Å; I66-V68 WeakPolarHBondContact CG2-O 3.24Å; I66-N69 HydrophobicContact CG2-CB 4.06Å
67V92.8Very high91.9Very high64 Ų6455 Ų5539%0.38827%0.266SS..EExtended strand (participates in β ladder)trans-95.6-26.4177.8-66.90000112.5L47 V49 F60 H65L47-V67 HydrophobicContact CD2-CB 4.46Å; L47-V67 HydrophobicContact CD2-CG1 4.11Å; L47-V67 HydrophobicContact CD2-CG2 4.18Å; V49-V67 HydrophobicContact CG1-CG2 3.97Å; F60-V67 HydrophobicContact CB-CG2 3.97Å; F60-V67 VanDerWaalsContact O-CG2 3.3Å; F60-V67 WeakPolarHBondContact O-CG2 3.41Å; F60-V67 PolarHBondContact O-N 3.14Å; H65-V67 PolarHBondContact O-N 2.93Å
68V94.7Very high92Very high15 Ų1553.5 Ų53.59%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-139129.1173.6-178.80000108Y15 N59 F60 I66 L70Y15-V68 HydrophobicContact CD1-CG2 4.42Å; Y15-V68 HydrophobicContact CE1-CG2 3.73Å; N59-V68 WeakPolarHBondContact CA-O 3.48Å; F60-V68 HydrophobicContact CB-CB 3.96Å; F60-V68 HydrophobicContact CB-CG2 4.44Å; F60-V68 HydrophobicContact CD2-CB 3.47Å; F60-V68 VanDerWaalsContact CD2-CB 3.47Å; F60-V68 HydrophobicContact CD2-CG1 3.96Å; F60-V68 HydrophobicContact CD2-CG2 3.61Å; F60-V68 HydrophobicContact CE2-CB 4.03Å; F60-V68 HydrophobicContact CE2-CG1 3.99Å; F60-V68 HydrophobicContact CE2-CG2 4.18Å; F60-V68 HydrophobicContact CG-CB 3.82Å; F60-V68 HydrophobicContact CG-CG1 4.45Å; F60-V68 HydrophobicContact CG-CG2 4.35Å; F60-V68 PolarHBondContact N-O 3.12Å; I66-V68 VanDerWaalsContact CG2-O 3.32Å; I66-V68 WeakPolarHBondContact CG2-O 3.24Å; V68-L70 HydrophobicContact CG1-CD2 3.72Å; V68-L70 HydrophobicContact CG1-CG 3.93Å
69N94Very high91.9Very high87 Ų8753.5 Ų53.547%0.46526%0.257SS..EExtended strand (participates in β ladder)trans-119.6121.2172.6175.2-100.2000108.2N59 I66N59-N69 PolarHBondContact OD1-ND2 3.29Å; I66-N69 HydrophobicContact CG2-CB 4.06Å
70L93.3Very high92Very high0 Ų053.2 Ų53.20%026%0.255CS..EExtended strand (participates in β ladder)trans-117.7144175.2-47.3174.1000108.4T57 V58 F60 V68 V75 I90 Q92T57-L70 CarbonylContact C-O 3.5Å; T57-L70 VanDerWaalsContact CA-O 3.26Å; T57-L70 WeakPolarHBondContact CA-O 3.14Å; V58-L70 HydrophobicContact CB-CB 4.11Å; V58-L70 HydrophobicContact CB-CD1 4.28Å; V58-L70 HydrophobicContact CG1-CD1 4.49Å; V58-L70 PolarHBondContact N-O 3.41Å; V58-L70 PolarHBondContact O-N 2.89Å; F60-L70 HydrophobicContact CE1-CD1 4.43Å; F60-L70 HydrophobicContact CZ-CD1 4.12Å; V68-L70 HydrophobicContact CG1-CD2 3.72Å; V68-L70 HydrophobicContact CG1-CG 3.93Å; L70-V75 HydrophobicContact CB-CG2 4.39Å; L70-V75 HydrophobicContact CD1-CG2 4.46Å; L70-I90 HydrophobicContact CD1-CG2 3.91Å; L70-Q92 HydrophobicContact CD2-CB 3.94Å; L70-Q92 HydrophobicContact CD2-CG 3.8Å
71R93.2Very high92.1Very high151 Ų15153.9 Ų53.957%0.5726%0.258SS*.EExtended strand (participates in β ladder)trans-90.4141.6162.5-60.4-170.1-63.1165.60.8108.6C73 S74R71-C73 VanDerWaalsContact CB-SG 3.59Å; R71-C73 PolarHBondContact O-N 2.91Å; R71-S74 PolarHBondContact N-OG 2.89Å; R71-S74 VanDerWaalsContact N-OG 3.13Å; R71-S74 WeakPolarHBondContact O-CA 3.35Å; R71-S74 WeakPolarHBondContact O-CB 3.06Å; R71-S74 PolarHBondContact O-N 2.72Å; R71-S74 PolarHBondContact O-OG 3.01Å
72I90.3Very high92.1Very high8 Ų856.5 Ų56.54%0.04127%0.273CS..G310 helixtrans-56.9-39.3175.7-70.5-70.3000110.8S56 V58 S74 V75 L117 A120 C121 R124S56-I72 PolarHBondContact O-N 3.45Å; V58-I72 HydrophobicContact CG2-CD1 3.48Å; V58-I72 VanDerWaalsContact CG2-CD1 3.48Å; V58-I72 HydrophobicContact CG2-CG1 4.35Å; I72-S74 PolarHBondContact O-N 2.88Å; I72-S74 VanDerWaalsContact O-N 3.1Å; I72-V75 PolarHBondContact O-N 3.01Å; I72-V75 VanDerWaalsContact O-N 3.11Å; I72-L117 HydrophobicContact CD1-CD1 3.72Å; I72-A120 HydrophobicContact CD1-CB 3.77Å; I72-A120 HydrophobicContact CG1-CB 4.4Å; I72-C121 HydrophobicContact CG2-CB 4.36Å; I72-R124 HydrophobicContact CB-CG 4.35Å; I72-R124 HydrophobicContact CG2-CB 3.67Å; I72-R124 HydrophobicContact CG2-CG 3.86Å
73C88.2Confident92.3Very high61 Ų6159.3 Ų59.341%0.41229%0.287SS..G310 helixtrans-66.3-11.2175.967.10000114.8R71R71-C73 VanDerWaalsContact CB-SG 3.59Å; R71-C73 PolarHBondContact O-N 2.91Å
74S89.2Confident92.6Very high9 Ų955.9 Ų55.96%0.06327%0.273CS..G310 helixtrans-100.35.2176.963.80000112.9R71 I72 P76 Q92 H93R71-S74 PolarHBondContact N-OG 2.89Å; R71-S74 VanDerWaalsContact N-OG 3.13Å; R71-S74 WeakPolarHBondContact O-CA 3.35Å; R71-S74 WeakPolarHBondContact O-CB 3.06Å; R71-S74 PolarHBondContact O-N 2.72Å; R71-S74 PolarHBondContact O-OG 3.01Å; I72-S74 PolarHBondContact O-N 2.88Å; I72-S74 VanDerWaalsContact O-N 3.1Å; S74-P76 WeakPolarHBondContact O-CD 3.4Å; S74-Q92 CarbonylContact O-C 3.57Å; S74-Q92 WeakPolarHBondContact O-CA 3.46Å; S74-H93 WeakPolarHBondContact CB-O 3.08Å; S74-H93 PolarHBondContact O-N 2.82Å
75V90.8Very high93Very high7 Ų750.6 Ų50.64%0.04225%0.252CS..  trans-103.890.5-179.9-179.20000109.4L70 I72 F77 F78 I90 I91L70-V75 HydrophobicContact CB-CG2 4.39Å; L70-V75 HydrophobicContact CD1-CG2 4.46Å; I72-V75 PolarHBondContact O-N 3.01Å; I72-V75 VanDerWaalsContact O-N 3.11Å; V75-F77 VanDerWaalsContact C-N 3.31Å; V75-F77 PolarHBondContact O-N 2.98Å; V75-F78 HydrophobicContact CG1-CD1 3.9Å; V75-I90 HydrophobicContact CG1-CG2 3.69Å; V75-I90 HydrophobicContact CG2-CG2 4.12Å; V75-I91 WeakPolarHBondContact CA-O 3.45Å
76P89.6Confident93.4Very high21 Ų2148.5 Ų48.514%0.13624%0.241CC..  trans-67.9-28.5177.725.8-37.8000113.7K24 L25 S74 I91 H93K24-P76 HydrophobicContact CB-CB 4.2Å; K24-P76 HydrophobicContact CB-CG 3.98Å; K24-P76 HydrophobicContact CD-CB 4.42Å; K24-P76 HydrophobicContact CG-CB 4.09Å; K24-P76 HydrophobicContact CG-CG 4.42Å; L25-P76 HydrophobicContact CD2-CB 4.26Å; S74-P76 WeakPolarHBondContact O-CD 3.4Å; P76-I91 WeakPolarHBondContact CD-O 3.41Å; P76-I91 HydrophobicContact CG-CB 4.35Å; P76-I91 HydrophobicContact CG-CG2 3.87Å; P76-H93 HydrophobicContact CG-CB 4.32Å
77F92.2Very high93.6Very high4 Ų444.7 Ų44.72%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-158.4146.2-171.7-173.3-97.4000111.7K24 L25 I27 M30 V75 I91 T218 M219K24-F77 WeakPolarHBondContact O-CB 3.26Å; L25-F77 HydrophobicContact CD2-CB 4.05Å; L25-F77 HydrophobicContact CD2-CD2 4.36Å; I27-F77 HydrophobicContact CB-CZ 4.11Å; I27-F77 HydrophobicContact CD1-CZ 4.33Å; M30-F77 HydrophobicContact CB-CD1 4.29Å; M30-F77 HydrophobicContact CB-CE1 3.86Å; M30-F77 HydrophobicContact CE-CE1 4.25Å; M30-F77 HydrophobicContact CG-CE1 4.29Å; M30-F77 HydrophobicContact SD-CD1 3.9Å; M30-F77 HydrophobicContact SD-CE1 3.57Å; M30-F77 VanDerWaalsContact SD-CE1 3.57Å; V75-F77 VanDerWaalsContact C-N 3.31Å; V75-F77 PolarHBondContact O-N 2.98Å; F77-I91 HydrophobicContact CB-CB 4.3Å; F77-I91 HydrophobicContact CB-CD1 4.08Å; F77-I91 HydrophobicContact CB-CG1 4.47Å; F77-I91 HydrophobicContact CD1-CD1 3.71Å; F77-I91 HydrophobicContact CD1-CG1 4.31Å; F77-I91 HydrophobicContact CG-CD1 4.29Å; F77-I91 WeakPolarHBondContact O-CB 3.34Å; F77-I91 PolarHBondContact O-N 3.2Å; F77-T218 HydrophobicContact CE2-CG2 3.49Å; F77-T218 VanDerWaalsContact CE2-CG2 3.49Å; F77-T218 HydrophobicContact CZ-CG2 3.37Å; F77-M219 WeakPolarHBondContact CD2-O 3.23Å
78F94.9Very high93.8Very high5 Ų541.7 Ų41.72%0.02220%0.203CC..EExtended strand (participates in β ladder)trans-153.6162.8169.759.3-93.6000109.7V75 G89 I90 C114 L117 K118 F221V75-F78 HydrophobicContact CG1-CD1 3.9Å; F78-G89 CarbonylContact C-O 3.51Å; F78-G89 WeakPolarHBondContact CA-O 3.15Å; F78-G89 WeakPolarHBondContact CB-O 3.44Å; F78-I90 HydrophobicContact CB-CB 4.42Å; F78-I90 HydrophobicContact CB-CG1 4.11Å; F78-I90 HydrophobicContact CB-CG2 4.46Å; F78-C114 HydrophobicContact CD2-CB 4.34Å; F78-C114 HydrophobicContact CE2-CB 4.24Å; F78-C114 WeakPolarHBondContact CE2-O 3.48Å; F78-L117 HydrophobicContact CB-CD2 3.86Å; F78-L117 HydrophobicContact CD1-CD2 3.45Å; F78-L117 VanDerWaalsContact CD1-CD2 3.45Å; F78-L117 HydrophobicContact CD1-CG 3.82Å; F78-L117 HydrophobicContact CD2-CD2 3.83Å; F78-L117 HydrophobicContact CD2-CG 4.38Å; F78-L117 HydrophobicContact CE1-CB 4.4Å; F78-L117 HydrophobicContact CE1-CD2 3.86Å; F78-L117 HydrophobicContact CE1-CG 3.68Å; F78-L117 HydrophobicContact CE2-CB 4.23Å; F78-L117 HydrophobicContact CE2-CD2 4.22Å; F78-L117 HydrophobicContact CE2-CG 4.27Å; F78-L117 HydrophobicContact CG-CD2 3.43Å; F78-L117 VanDerWaalsContact CG-CD2 3.43Å; F78-L117 HydrophobicContact CG-CG 4.17Å; F78-L117 HydrophobicContact CZ-CB 4.13Å; F78-L117 HydrophobicContact CZ-CD2 4.23Å; F78-L117 HydrophobicContact CZ-CG 3.92Å; F78-K118 HydrophobicContact CE2-CB 4.5Å; F78-K118 HydrophobicContact CZ-CB 4.05Å; F78-F221 AromaticContact CD1-CE2 3.99Å; F78-F221 HydrophobicContact CD1-CE2 3.99Å; F78-F221 HydrophobicContact CE1-CD2 4.2Å; F78-F221 AromaticContact CE1-CE2 3.23Å; F78-F221 HydrophobicContact CE1-CE2 3.23Å; F78-F221 AromaticContact CE1-CZ 3.66Å; F78-F221 HydrophobicContact CE1-CZ 3.66Å; F78-F221 AromaticContact CZ-CE2 3.69Å; F78-F221 HydrophobicContact CZ-CE2 3.69Å; F78-F221 AromaticContact CZ-CZ 3.78Å; F78-F221 HydrophobicContact CZ-CZ 3.78Å
79G94.6Very high93.9Very high0 Ų041 Ų410%020%0.199CC..EExtended strand (participates in β ladder)trans177.3175.1176.800000113.7M30 C88 G89M30-G79 VanDerWaalsContact CE-C 3.43Å; M30-G79 WeakPolarHBondContact CE-O 3.27Å; M30-G79 PolarHBondContact SD-N 3.14Å; M30-G79 VanDerWaalsContact SD-N 3.43Å; G79-C88 CarbonylContact O-C 3.55Å; G79-C88 VanDerWaalsContact O-CA 3.22Å; G79-C88 WeakPolarHBondContact O-CA 3.31Å; G79-C88 VanDerWaalsContact O-CB 3.24Å; G79-C88 WeakPolarHBondContact O-CB 3.44Å; G79-G89 PolarHBondContact N-O 3.43Å; G79-G89 PolarHBondContact O-N 3.01Å
80I96.2Very high94Very high13 Ų1337 Ų377%0.06718%0.178CC..EExtended strand (participates in β ladder)trans-85.1142179.7-57179.2000109.5E85 A110 I111 Y214 E217I80-E85 HydrophobicContact CG2-CB 4.33Å; I80-A110 HydrophobicContact CG1-CB 4.27Å; I80-I111 HydrophobicContact CD1-CB 4.45Å; I80-I111 HydrophobicContact CD1-CG1 3.67Å; I80-Y214 HydrophobicContact CD1-CE1 4.49Å; I80-E217 VanDerWaalsContact CD1-OE2 3.28Å; I80-E217 WeakPolarHBondContact CD1-OE2 3.31Å
81Y96.8Very high94.1Very high14 Ų1437 Ų376%0.05518%0.178CC..EExtended strand (participates in β ladder)trans-68.5131.2176.9-173.9-133000110.6N31 I34 L38 K83 D84 I87N31-Y81 HydrophobicContact CB-CD2 4.17Å; N31-Y81 HydrophobicContact CB-CE2 3.97Å; N31-Y81 WeakPolarHBondContact O-CE2 3.42Å; N31-Y81 WeakPolarHBondContact OD1-CD2 3.48Å; I34-Y81 HydrophobicContact CB-CD2 3.82Å; I34-Y81 HydrophobicContact CB-CE2 4.04Å; I34-Y81 HydrophobicContact CB-CG 4.41Å; I34-Y81 HydrophobicContact CD1-CD2 3.82Å; I34-Y81 HydrophobicContact CD1-CG 4.22Å; I34-Y81 HydrophobicContact CG1-CD2 4.43Å; I34-Y81 HydrophobicContact CG2-CD1 4.02Å; I34-Y81 HydrophobicContact CG2-CD2 3.54Å; I34-Y81 HydrophobicContact CG2-CE1 4.24Å; I34-Y81 HydrophobicContact CG2-CE2 3.83Å; I34-Y81 HydrophobicContact CG2-CG 3.68Å; L38-Y81 HydrophobicContact CD1-CD1 4.42Å; L38-Y81 HydrophobicContact CD1-CE1 3.91Å; Y81-K83 HydrophobicContact CD1-CB 4.06Å; Y81-K83 HydrophobicContact CE1-CB 3.59Å; Y81-K83 HydrophobicContact CE1-CD 4.26Å; Y81-K83 HydrophobicContact CE1-CG 4.07Å; Y81-K83 PolarHBondContact O-N 2.92Å; Y81-K83 VanDerWaalsContact O-N 3.1Å; Y81-K83 WeakPolarHBondContact OH-CD 3.48Å; Y81-D84 HydrophobicContact CD1-CB 4.1Å; Y81-D84 CarbonylContact O-C 3.6Å; Y81-D84 PolarHBondContact O-N 3.5Å; Y81-I87 WeakPolarHBondContact CB-O 3.02Å; Y81-I87 HydrophobicContact CD1-CB 4.37Å; Y81-I87 HydrophobicContact CD1-CD1 4.35Å; Y81-I87 HydrophobicContact CG-CB 4.46Å; Y81-I87 HydrophobicContact CG-CG2 4.39Å; Y81-I87 PolarHBondContact N-O 3.05Å
82N93.6Very high94.1Very high93 Ų9331.3 Ų31.350%0.49716%0.157SC..THydrogen-bonded Turntrans-68.3-11.8-173.367.9-22.8000115.6N31N31-N82 VanDerWaalsContact ND2-CG 3.27Å; N31-N82 PolarHBondContact OD1-N 3.36Å
83K95.5Very high94.2Very high142 Ų14234.2 Ų34.262%0.61717%0.17SC*.THydrogen-bonded Turntrans-107.3-13177.2-54-176.6-174.31680113.9Y81Y81-K83 HydrophobicContact CD1-CB 4.06Å; Y81-K83 HydrophobicContact CE1-CB 3.59Å; Y81-K83 HydrophobicContact CE1-CD 4.26Å; Y81-K83 HydrophobicContact CE1-CG 4.07Å; Y81-K83 PolarHBondContact O-N 2.92Å; Y81-K83 VanDerWaalsContact O-N 3.1Å; Y81-K83 WeakPolarHBondContact OH-CD 3.48Å
84D95.6Very high94.3Very high63 Ų6332.2 Ų32.234%0.33716%0.157SC..EExtended strand (participates in β ladder)trans-152.4111.2-179-173.9-11.4000109.9Y81 K86 I87Y81-D84 HydrophobicContact CD1-CB 4.1Å; Y81-D84 CarbonylContact O-C 3.6Å; Y81-D84 PolarHBondContact O-N 3.5Å; D84-K86 PolarHBondContact O-N 3.06Å; D84-K86 VanDerWaalsContact O-N 3.14Å; D84-K86 VanDerWaalsContact OD1-CB 3.27Å; D84-K86 WeakPolarHBondContact OD1-CB 3.46Å; D84-K86 WeakPolarHBondContact OD1-CG 3.24Å; D84-K86 PolarHBondContact OD1-N 3.27Å; D84-I87 HydrophobicContact CB-CB 4.47Å; D84-I87 HydrophobicContact CB-CD1 3.95Å; D84-I87 HydrophobicContact CB-CG1 4.12Å; D84-I87 PolarHBondContact O-N 3.33Å
85E95.9Very high94.2Very high84 Ų8435.5 Ų35.539%0.39318%0.184SC..EExtended strand (participates in β ladder)trans-66.4-12.5-178.464.8-179.3-160.700114.1I80 I87 N109 A110 Y214I80-E85 HydrophobicContact CG2-CB 4.33Å; E85-I87 VanDerWaalsContact C-N 3.35Å; E85-N109 HydrophobicContact CG-CB 4.37Å; E85-A110 PolarHBondContact O-N 3.36Å; E85-Y214 PolarHBondContact OE2-OH 3.37Å
86K97Very high93.8Very high88 Ų8837.3 Ų37.338%0.38319%0.193SC..EExtended strand (participates in β ladder)trans-76.8-26.2173.3-61.5-174.2-179.5-174.40112.2D84 T105 C106 T108D84-K86 PolarHBondContact O-N 3.06Å; D84-K86 VanDerWaalsContact O-N 3.14Å; D84-K86 VanDerWaalsContact OD1-CB 3.27Å; D84-K86 WeakPolarHBondContact OD1-CB 3.46Å; D84-K86 WeakPolarHBondContact OD1-CG 3.24Å; D84-K86 PolarHBondContact OD1-N 3.27Å; K86-T105 CarbonylContact O-C 3.56Å; K86-T105 VanDerWaalsContact O-CA 3.26Å; K86-T105 WeakPolarHBondContact O-CA 3.29Å; K86-C106 PolarHBondContact O-N 3.21Å; K86-T108 WeakPolarHBondContact CE-O 3.24Å; K86-T108 WeakPolarHBondContact CG-O 3.32Å
87I97.1Very high93.7Very high10 Ų1041.9 Ų41.95%0.05122%0.217CC..EExtended strand (participates in β ladder)trans-95.5138-173.2-58.1176.1000109.5I34 L38 W46 Y81 D84 E85 V103 L104I34-I87 HydrophobicContact CG2-CG2 3.65Å; L38-I87 HydrophobicContact CD1-CD1 3.85Å; L38-I87 HydrophobicContact CD2-CD1 3.97Å; W46-I87 HydrophobicContact CH2-CD1 4.3Å; W46-I87 HydrophobicContact CH2-CG1 4.45Å; Y81-I87 WeakPolarHBondContact CB-O 3.02Å; Y81-I87 HydrophobicContact CD1-CB 4.37Å; Y81-I87 HydrophobicContact CD1-CD1 4.35Å; Y81-I87 HydrophobicContact CG-CB 4.46Å; Y81-I87 HydrophobicContact CG-CG2 4.39Å; Y81-I87 PolarHBondContact N-O 3.05Å; D84-I87 HydrophobicContact CB-CB 4.47Å; D84-I87 HydrophobicContact CB-CD1 3.95Å; D84-I87 HydrophobicContact CB-CG1 4.12Å; D84-I87 PolarHBondContact O-N 3.33Å; E85-I87 VanDerWaalsContact C-N 3.35Å; I87-V103 HydrophobicContact CG2-CG1 3.92Å; I87-L104 CarbonylContact C-O 3.54Å; I87-L104 VanDerWaalsContact CA-O 3.29Å; I87-L104 WeakPolarHBondContact CA-O 3.29Å
88C96.8Very high93.6Very high1 Ų145.4 Ų45.41%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-134.7155.4171.564.60000112.1G79 L104 A110 L113G79-C88 CarbonylContact O-C 3.55Å; G79-C88 VanDerWaalsContact O-CA 3.22Å; G79-C88 WeakPolarHBondContact O-CA 3.31Å; G79-C88 VanDerWaalsContact O-CB 3.24Å; G79-C88 WeakPolarHBondContact O-CB 3.44Å; C88-L104 PolarHBondContact N-O 3.5Å; C88-L104 PolarHBondContact O-N 3.33Å; C88-A110 HydrophobicContact CB-CB 3.67Å; C88-L113 VanDerWaalsContact SG-CD2 3.56Å
89G96.9Very high93.5Very high0 Ų046.9 Ų46.90%024%0.242CC..EExtended strand (participates in β ladder)trans-110141.3170.300000111F78 G79 H102F78-G89 CarbonylContact C-O 3.51Å; F78-G89 WeakPolarHBondContact CA-O 3.15Å; F78-G89 WeakPolarHBondContact CB-O 3.44Å; G79-G89 PolarHBondContact N-O 3.43Å; G79-G89 PolarHBondContact O-N 3.01Å; G89-H102 CarbonylContact C-O 3.53Å; G89-H102 VanDerWaalsContact CA-O 3.32Å; G89-H102 WeakPolarHBondContact CA-O 3.42Å
90I96.1Very high93.5Very high4 Ų448 Ų482%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-124.5115.8168.5-58173.7000107F60 L70 V75 F78 H102 L104 L117F60-I90 HydrophobicContact CZ-CD1 4.12Å; L70-I90 HydrophobicContact CD1-CG2 3.91Å; V75-I90 HydrophobicContact CG1-CG2 3.69Å; V75-I90 HydrophobicContact CG2-CG2 4.12Å; F78-I90 HydrophobicContact CB-CB 4.42Å; F78-I90 HydrophobicContact CB-CG1 4.11Å; F78-I90 HydrophobicContact CB-CG2 4.46Å; I90-H102 HydrophobicContact CB-CB 4.46Å; I90-H102 PolarHBondContact N-O 2.89Å; I90-H102 PolarHBondContact O-N 3.45Å; I90-L104 HydrophobicContact CD1-CD1 3.9Å; I90-L104 HydrophobicContact CG1-CD1 4.32Å; I90-L117 HydrophobicContact CD1-CD2 3.91Å; I90-L117 HydrophobicContact CG1-CD2 4.04Å; I90-L117 HydrophobicContact CG2-CD2 4.34Å
91I94.8Very high93.4Very high0 Ų047.3 Ų47.30%024%0.244CC..EExtended strand (participates in β ladder)trans-86.6125176.1-60178.9000108.1I21 M30 V75 P76 F77 F99 L100 C101I21-I91 HydrophobicContact CD1-CD1 3.54Å; I21-I91 HydrophobicContact CD1-CG1 3.85Å; I21-I91 HydrophobicContact CD1-CG2 3.96Å; M30-I91 HydrophobicContact CB-CD1 4.27Å; V75-I91 WeakPolarHBondContact CA-O 3.45Å; P76-I91 WeakPolarHBondContact CD-O 3.41Å; P76-I91 HydrophobicContact CG-CB 4.35Å; P76-I91 HydrophobicContact CG-CG2 3.87Å; F77-I91 HydrophobicContact CB-CB 4.3Å; F77-I91 HydrophobicContact CB-CD1 4.08Å; F77-I91 HydrophobicContact CB-CG1 4.47Å; F77-I91 HydrophobicContact CD1-CD1 3.71Å; F77-I91 HydrophobicContact CD1-CG1 4.31Å; F77-I91 HydrophobicContact CG-CD1 4.29Å; F77-I91 WeakPolarHBondContact O-CB 3.34Å; F77-I91 PolarHBondContact O-N 3.2Å; I91-F99 HydrophobicContact CG2-CB 4.18Å; I91-L100 CarbonylContact C-O 3.57Å; I91-L100 WeakPolarHBondContact CA-O 3.32Å; I91-C101 HydrophobicContact CG1-CB 4.45Å
92Q94.3Very high93.5Very high31 Ų3147 Ų4715%0.14524%0.243CC..EExtended strand (participates in β ladder)trans-104.2129.1172.2-177.6-173.15.900109.7L70 S74 T94 F99 L100 H102L70-Q92 HydrophobicContact CD2-CB 3.94Å; L70-Q92 HydrophobicContact CD2-CG 3.8Å; S74-Q92 CarbonylContact O-C 3.57Å; S74-Q92 WeakPolarHBondContact O-CA 3.46Å; Q92-T94 HydrophobicContact CG-CG2 4.29Å; Q92-F99 CarbonylContact O-C 3.49Å; Q92-F99 VanDerWaalsContact O-CA 3.27Å; Q92-F99 WeakPolarHBondContact O-CA 3.37Å; Q92-L100 HydrophobicContact CB-CB 4.43Å; Q92-L100 PolarHBondContact N-O 2.9Å; Q92-L100 PolarHBondContact O-N 3.4Å; Q92-H102 PolarHBondContact OE1-NE2 2.76Å; Q92-H102 VanDerWaalsContact OE1-NE2 3.07Å
93H92.1Very high93.6Very high68 Ų6842.5 Ų42.532%0.31522%0.219SC..EExtended strand (participates in β ladder)trans-87.3107.6161.6-178.9-160.8000109.1S74 P76 N97 F99S74-H93 WeakPolarHBondContact CB-O 3.08Å; S74-H93 PolarHBondContact O-N 2.82Å; P76-H93 HydrophobicContact CG-CB 4.32Å; H93-N97 PolarHBondContact NE2-OD1 3.49Å; H93-F99 HydrophobicContact CB-CD1 4.01Å; H93-F99 HydrophobicContact CB-CE1 3.92Å; H93-F99 AromaticContact CD2-CE1 3.46Å; H93-F99 VanDerWaalsContact CD2-CE1 3.46Å; H93-F99 WeakPolarHBondContact CD2-CE1 3.3Å; H93-F99 AromaticContact CG-CE1 3.64Å
94T90.9Very high93.8Very high20 Ų2035.8 Ų35.812%0.12319%0.19CC..  trans-77.5162.118063.10000111.4Q92 D96 N97 L98 L100Q92-T94 HydrophobicContact CG-CG2 4.29Å; T94-D96 PolarHBondContact O-N 3.26Å; T94-N97 PolarHBondContact O-N 3.23Å; T94-N97 VanDerWaalsContact O-N 3.07Å; T94-L98 PolarHBondContact N-O 2.85Å; T94-L98 WeakPolarHBondContact OG1-CA 3.3Å; T94-L98 WeakPolarHBondContact OG1-CB 3.42Å; T94-L98 PolarHBondContact OG1-N 3.44Å; T94-L98 VanDerWaalsContact OG1-N 3.08Å; T94-L98 PolarHBondContact OG1-O 2.91Å; T94-L100 HydrophobicContact CG2-CD1 3.57Å; T94-L100 HydrophobicContact CG2-CG 3.68Å
95A87.4Confident93.8Very high77 Ų7733.8 Ų33.864%0.63618%0.18SC*.THydrogen-bonded Turntrans-60.1-24.9174.800000112.7N97 M167A95-N97 PolarHBondContact O-N 2.85Å; A95-M167 HydrophobicContact CB-CE 4.23Å
96D81.6Confident93.8Very high45 Ų4530.2 Ų30.224%0.24117%0.165CC..THydrogen-bonded Turntrans-79.710.9176.8-71.7-22.9000113.8T94 L98 S171 K175T94-D96 PolarHBondContact O-N 3.26Å; D96-L98 HydrophobicContact CB-CD1 4.24Å; D96-L98 HydrophobicContact CB-CG 4.12Å; D96-L98 PolarHBondContact O-N 2.96Å; D96-L98 VanDerWaalsContact O-N 3.16Å; D96-S171 VanDerWaalsContact OD1-CB 3.29Å; D96-S171 WeakPolarHBondContact OD1-CB 3.35Å; D96-S171 PolarHBondContact OD1-OG 3.31Å; D96-S171 PolarHBondContact OD2-OG 3.35Å; D96-K175 IonicContact OD1-NZ 2.9Å; D96-K175 WeakPolarHBondContact OD2-CE 3.3Å; D96-K175 IonicContact OD2-NZ 3.93Å
97N87.5Confident93.6Very high117 Ų11730.4 Ų30.463%0.62618%0.175SC*.SBendtrans57.124.4-173.1-68.1-40.8000114.4H93 T94 A95H93-N97 PolarHBondContact NE2-OD1 3.49Å; T94-N97 PolarHBondContact O-N 3.23Å; T94-N97 VanDerWaalsContact O-N 3.07Å; A95-N97 PolarHBondContact O-N 2.85Å
98L90.7Very high93.3Very high79 Ų7934.6 Ų34.641%0.41420%0.201SC..  trans-93.7149.2170-54.9174.3000110.3T94 D96T94-L98 PolarHBondContact N-O 2.85Å; T94-L98 WeakPolarHBondContact OG1-CA 3.3Å; T94-L98 WeakPolarHBondContact OG1-CB 3.42Å; T94-L98 PolarHBondContact OG1-N 3.44Å; T94-L98 VanDerWaalsContact OG1-N 3.08Å; T94-L98 PolarHBondContact OG1-O 2.91Å; D96-L98 HydrophobicContact CB-CD1 4.24Å; D96-L98 HydrophobicContact CB-CG 4.12Å; D96-L98 PolarHBondContact O-N 2.96Å; D96-L98 VanDerWaalsContact O-N 3.16Å
99F91.5Very high93.2Very high35 Ų3536.8 Ų36.815%0.15421%0.212CC..EExtended strand (participates in β ladder)trans-105.7119.6172.7-53.4-62000109.6C20 I21 K24 I91 Q92 H93C20-F99 CarbonylContact C-O 3.53Å; C20-F99 WeakPolarHBondContact CA-O 3.31Å; I21-F99 HydrophobicContact CD1-CB 4.22Å; I21-F99 HydrophobicContact CG1-CB 3.55Å; I21-F99 WeakPolarHBondContact CG1-O 3.45Å; I21-F99 PolarHBondContact N-O 3.34Å; K24-F99 HydrophobicContact CB-CD1 3.32Å; K24-F99 HydrophobicContact CB-CD2 4.15Å; K24-F99 HydrophobicContact CB-CE1 3.21Å; K24-F99 HydrophobicContact CB-CE2 4.03Å; K24-F99 HydrophobicContact CB-CG 3.82Å; K24-F99 HydrophobicContact CB-CZ 3.59Å; K24-F99 HydrophobicContact CD-CE1 4.07Å; K24-F99 HydrophobicContact CD-CZ 4.18Å; K24-F99 HydrophobicContact CG-CE1 4.24Å; K24-F99 HydrophobicContact CG-CZ 4.43Å; I91-F99 HydrophobicContact CG2-CB 4.18Å; Q92-F99 CarbonylContact O-C 3.49Å; Q92-F99 VanDerWaalsContact O-CA 3.27Å; Q92-F99 WeakPolarHBondContact O-CA 3.37Å; H93-F99 HydrophobicContact CB-CD1 4.01Å; H93-F99 HydrophobicContact CB-CE1 3.92Å; H93-F99 AromaticContact CD2-CE1 3.46Å; H93-F99 VanDerWaalsContact CD2-CE1 3.46Å; H93-F99 WeakPolarHBondContact CD2-CE1 3.3Å; H93-F99 AromaticContact CG-CE1 3.64Å
100L95Very high93.1Very high23 Ų2336.8 Ų36.812%0.1221%0.212CC..EExtended strand (participates in β ladder)trans-109.1120.6178.4-54.6-176.2000109.2F18 C20 I91 Q92 T94F18-L100 HydrophobicContact CD2-CB 4.25Å; F18-L100 HydrophobicContact CD2-CD1 4.09Å; F18-L100 HydrophobicContact CD2-CD2 3.94Å; F18-L100 HydrophobicContact CD2-CG 4.31Å; F18-L100 HydrophobicContact CE2-CD1 4.12Å; F18-L100 HydrophobicContact CE2-CD2 4.06Å; C20-L100 HydrophobicContact CB-CD2 4.22Å; I91-L100 CarbonylContact C-O 3.57Å; I91-L100 WeakPolarHBondContact CA-O 3.32Å; Q92-L100 HydrophobicContact CB-CB 4.43Å; Q92-L100 PolarHBondContact N-O 2.9Å; Q92-L100 PolarHBondContact O-N 3.4Å; T94-L100 HydrophobicContact CG2-CD1 3.57Å; T94-L100 HydrophobicContact CG2-CG 3.68Å
101C95.6Very high93Very high0 Ų038 Ų380%022%0.219CC..EExtended strand (participates in β ladder)trans-89.7106.9171.2-173.40000109.3F18 I19 I21 A33 I91F18-C101 WeakPolarHBondContact CA-O 3.28Å; F18-C101 WeakPolarHBondContact CB-O 3.43Å; I19-C101 HydrophobicContact CG2-CB 4.27Å; I19-C101 PolarHBondContact N-O 3.35Å; I19-C101 VanDerWaalsContact N-O 3.16Å; I19-C101 PolarHBondContact O-N 2.78Å; I21-C101 HydrophobicContact CD1-CB 4.19Å; I21-C101 HydrophobicContact CG2-CB 4.2Å; A33-C101 HydrophobicContact CB-CB 3.74Å; I91-C101 HydrophobicContact CG1-CB 4.45Å
102H97.1Very high92.9Very high6 Ų641.4 Ų41.43%0.02824%0.235CC..EExtended strand (participates in β ladder)trans-82.8130.8172.6-63.5-91.2000109.9Y15 F60 G89 I90 Q92Y15-H102 HydrophobicContact CE2-CB 4.02Å; Y15-H102 AromaticContact CE2-ND1 3.98Å; Y15-H102 AromaticContact CZ-ND1 3.8Å; Y15-H102 PolarHBondContact OH-ND1 3.47Å; F60-H102 HydrophobicContact CE2-CB 4.34Å; G89-H102 CarbonylContact C-O 3.53Å; G89-H102 VanDerWaalsContact CA-O 3.32Å; G89-H102 WeakPolarHBondContact CA-O 3.42Å; I90-H102 HydrophobicContact CB-CB 4.46Å; I90-H102 PolarHBondContact N-O 2.89Å; I90-H102 PolarHBondContact O-N 3.45Å; Q92-H102 PolarHBondContact OE1-NE2 2.76Å; Q92-H102 VanDerWaalsContact OE1-NE2 3.07Å
103V97.5Very high92.8Very high0 Ų040.1 Ų40.10%023%0.229CC..EExtended strand (participates in β ladder)trans-113.1124.9-176.3-177.50000110.2Y15 A16 G17 I34 V37 I87Y15-V103 VanDerWaalsContact CD2-O 3.24Å; Y15-V103 WeakPolarHBondContact CD2-O 3.36Å; A16-V103 HydrophobicContact CB-CB 4.12Å; A16-V103 HydrophobicContact CB-CG1 4.11Å; A16-V103 PolarHBondContact N-O 3.04Å; G17-V103 PolarHBondContact O-N 2.97Å; I34-V103 HydrophobicContact CB-CG2 4.48Å; I34-V103 HydrophobicContact CG1-CG1 4.35Å; I34-V103 HydrophobicContact CG1-CG2 3.94Å; I34-V103 HydrophobicContact CG2-CG1 4.18Å; V37-V103 HydrophobicContact CB-CB 4.48Å; V37-V103 HydrophobicContact CB-CG2 3.96Å; V37-V103 HydrophobicContact CG1-CB 4.08Å; V37-V103 HydrophobicContact CG1-CG1 4.37Å; V37-V103 HydrophobicContact CG1-CG2 4.08Å; V37-V103 HydrophobicContact CG2-CG2 3.85Å; I87-V103 HydrophobicContact CG2-CG1 3.92Å
104L97.8Very high92.9Very high0 Ų037.4 Ų37.40%022%0.218CC..EExtended strand (participates in β ladder)trans-124.9155.7176.9-57.696.1000110.8C13 L14 Y15 V49 V51 F60 I87 C88 I90 L113C13-L104 HydrophobicContact CB-CD2 3.96Å; L14-L104 CarbonylContact O-C 3.54Å; L14-L104 VanDerWaalsContact O-CA 3.3Å; L14-L104 WeakPolarHBondContact O-CA 3.4Å; Y15-L104 HydrophobicContact CD2-CG 4.17Å; V49-L104 HydrophobicContact CG2-CD2 4.37Å; V51-L104 HydrophobicContact CG2-CD2 3.65Å; F60-L104 HydrophobicContact CD2-CD2 4.28Å; F60-L104 HydrophobicContact CE1-CD2 4.23Å; F60-L104 HydrophobicContact CE2-CD1 3.93Å; F60-L104 HydrophobicContact CE2-CD2 3.93Å; F60-L104 HydrophobicContact CE2-CG 4.21Å; F60-L104 HydrophobicContact CZ-CD1 3.77Å; F60-L104 HydrophobicContact CZ-CD2 3.93Å; F60-L104 HydrophobicContact CZ-CG 4.35Å; I87-L104 CarbonylContact C-O 3.54Å; I87-L104 VanDerWaalsContact CA-O 3.29Å; I87-L104 WeakPolarHBondContact CA-O 3.29Å; C88-L104 PolarHBondContact N-O 3.5Å; C88-L104 PolarHBondContact O-N 3.33Å; I90-L104 HydrophobicContact CD1-CD1 3.9Å; I90-L104 HydrophobicContact CG1-CD1 4.32Å; L104-L113 HydrophobicContact CD2-CD2 4.48Å
105T97Very high92.9Very high22 Ų2242.4 Ų42.414%0.13524%0.237CC..EExtended strand (participates in β ladder)trans-121.4142.8162.8-1750000110.1C13 L14 W46 K86C13-T105 CarbonylContact C-O 3.5Å; C13-T105 VanDerWaalsContact CA-O 3.24Å; C13-T105 WeakPolarHBondContact CA-O 3.39Å; C13-T105 WeakPolarHBondContact CB-O 3.44Å; L14-T105 HydrophobicContact CB-CG2 3.64Å; L14-T105 HydrophobicContact CD1-CG2 3.97Å; L14-T105 HydrophobicContact CG-CG2 4Å; L14-T105 PolarHBondContact N-O 3.41Å; L14-T105 PolarHBondContact O-N 2.86Å; W46-T105 HydrophobicContact CE3-CG2 3.39Å; W46-T105 HydrophobicContact CH2-CG2 4.2Å; W46-T105 HydrophobicContact CZ3-CG2 3.22Å; K86-T105 CarbonylContact O-C 3.56Å; K86-T105 VanDerWaalsContact O-CA 3.26Å; K86-T105 WeakPolarHBondContact O-CA 3.29Å
106C95.6Very high93.2Very high9 Ų940.9 Ų40.96%0.06122%0.22CC..  trans-108.1147.3177.9-61.90000110.1C13 K86 T108 N109C13-C106 VanDerWaalsContact SG-SG 3.61Å; K86-C106 PolarHBondContact O-N 3.21Å; C106-T108 VanDerWaalsContact C-N 3.33Å; C106-T108 PolarHBondContact O-N 3.41Å; C106-N109 WeakPolarHBondContact CB-O 3.22Å
107P92Very high93.7Very high92 Ų9238.8 Ų38.860%0.59721%0.209SC*.SBendtrans-56.1-42.1-176.6-27.833.9000114.7K12K12-P107 WeakPolarHBondContact O-CD 3.26Å
108T92.3Very high93.8Very high97 Ų9736.9 Ų36.960%0.59520%0.195SC*.SBendtrans-102.1-65-177.748.90000111.4K86 C106K86-T108 WeakPolarHBondContact CE-O 3.24Å; K86-T108 WeakPolarHBondContact CG-O 3.32Å; C106-T108 VanDerWaalsContact C-N 3.33Å; C106-T108 PolarHBondContact O-N 3.41Å
109N93.2Very high93.8Very high47 Ų4735.7 Ų35.725%0.25120%0.197SC..  trans-157.5164.6173.758.755.4000109.4E85 C106 I111E85-N109 HydrophobicContact CG-CB 4.37Å; C106-N109 WeakPolarHBondContact CB-O 3.22Å; N109-I111 VanDerWaalsContact C-N 3.3Å; N109-I111 HydrophobicContact CB-CD1 4.38Å; N109-I111 HydrophobicContact CB-CG1 4.27Å; N109-I111 VanDerWaalsContact OD1-CB 3.29Å; N109-I111 WeakPolarHBondContact OD1-CB 3.41Å; N109-I111 PolarHBondContact OD1-N 2.85Å; N109-I111 VanDerWaalsContact OD1-N 3.17Å
110A95.1Very high93.7Very high0 Ų034.4 Ų34.40%019%0.192CC..SBendtrans-861.5178.500000114.1I80 E85 C88 E112 L113 C114I80-A110 HydrophobicContact CG1-CB 4.27Å; E85-A110 PolarHBondContact O-N 3.36Å; C88-A110 HydrophobicContact CB-CB 3.67Å; A110-E112 PolarHBondContact O-N 3.39Å; A110-L113 PolarHBondContact O-N 2.83Å; A110-C114 PolarHBondContact O-N 2.94Å; A110-C114 PolarHBondContact O-SG 3.41Å
111I93.2Very high93.3Very high31 Ų3133.9 Ų33.916%0.15919%0.191CC..Hα-helixtrans-61.3-45.5-174.5-59.5172.1000110.7I80 N109 L113 C114 K115I80-I111 HydrophobicContact CD1-CB 4.45Å; I80-I111 HydrophobicContact CD1-CG1 3.67Å; N109-I111 VanDerWaalsContact C-N 3.3Å; N109-I111 HydrophobicContact CB-CD1 4.38Å; N109-I111 HydrophobicContact CB-CG1 4.27Å; N109-I111 VanDerWaalsContact OD1-CB 3.29Å; N109-I111 WeakPolarHBondContact OD1-CB 3.41Å; N109-I111 PolarHBondContact OD1-N 2.85Å; N109-I111 VanDerWaalsContact OD1-N 3.17Å; I111-L113 VanDerWaalsContact C-N 3.32Å; I111-L113 PolarHBondContact O-N 3.09Å; I111-C114 PolarHBondContact O-N 3.17Å; I111-K115 HydrophobicContact CG2-CD 3.86Å; I111-K115 VanDerWaalsContact CG2-CE 3.44Å; I111-K115 HydrophobicContact CG2-CG 4.27Å; I111-K115 WeakPolarHBondContact O-CB 3.22Å; I111-K115 VanDerWaalsContact O-CG 3.3Å; I111-K115 WeakPolarHBondContact O-CG 3.48Å; I111-K115 PolarHBondContact O-N 2.72Å
112E92.6Very high92.8Very high71 Ų7137.9 Ų37.933%0.33221%0.209SC..Hα-helixtrans-62-40.3179.3-173.5-179.9154.500112.1R9 L11 A110 K115 T116R9-E112 IonicContact CZ-OE1 3.04Å; R9-E112 IonicContact NE-OE1 2.79Å; R9-E112 PolarHBondContact NE-OE1 3.27Å; R9-E112 VanDerWaalsContact NH2-CD 3.28Å; R9-E112 IonicContact NH2-OE1 2.63Å; R9-E112 PolarHBondContact NH2-OE1 2.84Å; R9-E112 IonicContact NH2-OE2 3.56Å; L11-E112 HydrophobicContact CD2-CG 4.08Å; L11-E112 WeakPolarHBondContact CD2-OE1 3.3Å; A110-E112 PolarHBondContact O-N 3.39Å; E112-K115 PolarHBondContact O-N 3.04Å; E112-T116 WeakPolarHBondContact O-CB 3.49Å; E112-T116 PolarHBondContact O-N 2.84Å; E112-T116 PolarHBondContact O-OG1 3.1Å
113L94Very high92.3Very high3 Ų341.7 Ų41.72%0.01623%0.23CC..Hα-helixtrans-64.7-48.917717661.2000111.1L11 V51 I53 C88 L104 A110 I111 K115 T116 L117L11-L113 HydrophobicContact CD1-CB 4.01Å; L11-L113 HydrophobicContact CD1-CD1 3.64Å; L11-L113 HydrophobicContact CD1-CG 4.45Å; V51-L113 HydrophobicContact CB-CD1 4.31Å; V51-L113 HydrophobicContact CG1-CD1 3.82Å; I53-L113 HydrophobicContact CD1-CD1 3.79Å; C88-L113 VanDerWaalsContact SG-CD2 3.56Å; L104-L113 HydrophobicContact CD2-CD2 4.48Å; A110-L113 PolarHBondContact O-N 2.83Å; I111-L113 VanDerWaalsContact C-N 3.32Å; I111-L113 PolarHBondContact O-N 3.09Å; L113-K115 PolarHBondContact O-N 3.48Å; L113-T116 PolarHBondContact O-N 2.81Å; L113-L117 WeakPolarHBondContact O-CB 3.37Å; L113-L117 PolarHBondContact O-N 3.38Å
114C93.9Very high91.6Very high12 Ų1245.9 Ų45.98%0.08125%0.245CC..Hα-helixtrans-63.3-39.3177.7-69.40000112.3F78 A110 I111 L117 K118F78-C114 HydrophobicContact CD2-CB 4.34Å; F78-C114 HydrophobicContact CE2-CB 4.24Å; F78-C114 WeakPolarHBondContact CE2-O 3.48Å; A110-C114 PolarHBondContact O-N 2.94Å; A110-C114 PolarHBondContact O-SG 3.41Å; I111-C114 PolarHBondContact O-N 3.17Å; C114-L117 PolarHBondContact O-N 2.85Å; C114-K118 VanDerWaalsContact O-CB 3.32Å; C114-K118 WeakPolarHBondContact O-CB 3.35Å; C114-K118 PolarHBondContact O-N 3.04Å
115K91.2Very high90.6Very high124 Ų12449.4 Ų49.454%0.53926%0.259SS..Hα-helixtrans-63.6-43.6175-77.6178.5179.1173.50112.3I111 E112 L113 L117 K118 A119I111-K115 HydrophobicContact CG2-CD 3.86Å; I111-K115 VanDerWaalsContact CG2-CE 3.44Å; I111-K115 HydrophobicContact CG2-CG 4.27Å; I111-K115 WeakPolarHBondContact O-CB 3.22Å; I111-K115 VanDerWaalsContact O-CG 3.3Å; I111-K115 WeakPolarHBondContact O-CG 3.48Å; I111-K115 PolarHBondContact O-N 2.72Å; E112-K115 PolarHBondContact O-N 3.04Å; L113-K115 PolarHBondContact O-N 3.48Å; K115-L117 VanDerWaalsContact C-N 3.35Å; K115-K118 PolarHBondContact O-N 2.95Å; K115-A119 PolarHBondContact O-N 2.83Å
116T93.2Very high89.8Confident46 Ų4652.7 Ų52.728%0.28227%0.273SS..Hα-helixtrans-65.4-41.1177.8-53.80000111I53 E112 L113 A119 A120I53-T116 HydrophobicContact CB-CG2 3.98Å; I53-T116 HydrophobicContact CD1-CG2 3.63Å; I53-T116 HydrophobicContact CG1-CG2 4.36Å; I53-T116 HydrophobicContact CG2-CG2 4.21Å; E112-T116 WeakPolarHBondContact O-CB 3.49Å; E112-T116 PolarHBondContact O-N 2.84Å; E112-T116 PolarHBondContact O-OG1 3.1Å; L113-T116 PolarHBondContact O-N 2.81Å; T116-A119 PolarHBondContact O-N 2.9Å; T116-A120 PolarHBondContact O-N 3.27Å; T116-A120 VanDerWaalsContact O-N 3.09Å
117L92.4Very high89.1Confident1 Ų155.6 Ų55.61%0.00529%0.286CS..Hα-helixtrans-65.7-42.6177.1-173.156.8000111.8I53 V58 I72 F78 I90 L113 C114 K115 A120 C121I53-L117 HydrophobicContact CD1-CB 4.26Å; V58-L117 HydrophobicContact CG2-CD1 3.59Å; I72-L117 HydrophobicContact CD1-CD1 3.72Å; F78-L117 HydrophobicContact CB-CD2 3.86Å; F78-L117 HydrophobicContact CD1-CD2 3.45Å; F78-L117 VanDerWaalsContact CD1-CD2 3.45Å; F78-L117 HydrophobicContact CD1-CG 3.82Å; F78-L117 HydrophobicContact CD2-CD2 3.83Å; F78-L117 HydrophobicContact CD2-CG 4.38Å; F78-L117 HydrophobicContact CE1-CB 4.4Å; F78-L117 HydrophobicContact CE1-CD2 3.86Å; F78-L117 HydrophobicContact CE1-CG 3.68Å; F78-L117 HydrophobicContact CE2-CB 4.23Å; F78-L117 HydrophobicContact CE2-CD2 4.22Å; F78-L117 HydrophobicContact CE2-CG 4.27Å; F78-L117 HydrophobicContact CG-CD2 3.43Å; F78-L117 VanDerWaalsContact CG-CD2 3.43Å; F78-L117 HydrophobicContact CG-CG 4.17Å; F78-L117 HydrophobicContact CZ-CB 4.13Å; F78-L117 HydrophobicContact CZ-CD2 4.23Å; F78-L117 HydrophobicContact CZ-CG 3.92Å; I90-L117 HydrophobicContact CD1-CD2 3.91Å; I90-L117 HydrophobicContact CG1-CD2 4.04Å; I90-L117 HydrophobicContact CG2-CD2 4.34Å; L113-L117 WeakPolarHBondContact O-CB 3.37Å; L113-L117 PolarHBondContact O-N 3.38Å; C114-L117 PolarHBondContact O-N 2.85Å; K115-L117 VanDerWaalsContact C-N 3.35Å; L117-A120 PolarHBondContact O-N 2.88Å; L117-C121 PolarHBondContact O-N 2.92Å; L117-C121 PolarHBondContact O-SG 3.26Å; L117-C121 VanDerWaalsContact O-SG 3.35Å
118K88.8Confident88.3Confident77 Ų7753.2 Ų53.234%0.33527%0.27SS..Hα-helixtrans-55-53.1173177.2-176.5178162.10111.6F78 C114 K115 A120 C121 E122 M219F78-K118 HydrophobicContact CE2-CB 4.5Å; F78-K118 HydrophobicContact CZ-CB 4.05Å; C114-K118 VanDerWaalsContact O-CB 3.32Å; C114-K118 WeakPolarHBondContact O-CB 3.35Å; C114-K118 PolarHBondContact O-N 3.04Å; K115-K118 PolarHBondContact O-N 2.95Å; K118-A120 VanDerWaalsContact C-N 3.26Å; K118-A120 PolarHBondContact O-N 2.81Å; K118-C121 WeakPolarHBondContact O-CB 3.31Å; K118-C121 PolarHBondContact O-N 3.4Å; K118-C121 VanDerWaalsContact O-N 3.14Å; K118-E122 WeakPolarHBondContact CE-OE1 3.27Å; K118-E122 HydrophobicContact CG-CG 4.48Å; K118-E122 IonicContact NZ-OE1 3.9Å; K118-E122 WeakPolarHBondContact O-CG 3.45Å; K118-E122 PolarHBondContact O-N 2.94Å; K118-M219 HydrophobicContact CD-CE 4.22Å; K118-M219 HydrophobicContact CD-SD 3.35Å; K118-M219 WeakPolarHBondContact CD-SD 3.28Å; K118-M219 WeakPolarHBondContact CE-SD 3.29Å; K118-M219 HydrophobicContact CG-CE 4.3Å; K118-M219 HydrophobicContact CG-SD 3.73Å; K118-M219 PolarHBondContact NZ-SD 3.45Å; K118-M219 VanDerWaalsContact NZ-SD 3.41Å
119A90.3Very high87.4Confident53 Ų5350 Ų5044%0.43825%0.251SS..Hα-helixtrans-59.6-37.8179.700000112.2K115 T116 L123K115-A119 PolarHBondContact O-N 2.83Å; T116-A119 PolarHBondContact O-N 2.9Å; A119-L123 VanDerWaalsContact O-CB 3.3Å; A119-L123 WeakPolarHBondContact O-CB 3.28Å; A119-L123 PolarHBondContact O-N 3.13Å
120A90.2Very high86.6Confident8 Ų851 Ų517%0.06626%0.256CS..Hα-helixtrans-67.1-41.9175.500000112.7I53 I72 T116 L117 K118 R124I53-A120 HydrophobicContact CG2-CB 3.43Å; I53-A120 VanDerWaalsContact CG2-CB 3.43Å; I72-A120 HydrophobicContact CD1-CB 3.77Å; I72-A120 HydrophobicContact CG1-CB 4.4Å; T116-A120 PolarHBondContact O-N 3.27Å; T116-A120 VanDerWaalsContact O-N 3.09Å; L117-A120 PolarHBondContact O-N 2.88Å; K118-A120 VanDerWaalsContact C-N 3.26Å; K118-A120 PolarHBondContact O-N 2.81Å; A120-R124 VanDerWaalsContact O-CB 3.27Å; A120-R124 WeakPolarHBondContact O-CB 3.36Å; A120-R124 PolarHBondContact O-N 2.87Å
121C87.3Confident85.6Confident12 Ų1254.4 Ų54.48%0.08128%0.28CS..Hα-helixtrans-61.2-45.9174-690000111.9I72 L117 K118 R124 Y125 F221I72-C121 HydrophobicContact CG2-CB 4.36Å; L117-C121 PolarHBondContact O-N 2.92Å; L117-C121 PolarHBondContact O-SG 3.26Å; L117-C121 VanDerWaalsContact O-SG 3.35Å; K118-C121 WeakPolarHBondContact O-CB 3.31Å; K118-C121 PolarHBondContact O-N 3.4Å; K118-C121 VanDerWaalsContact O-N 3.14Å; C121-R124 PolarHBondContact O-N 3.19Å; C121-Y125 WeakPolarHBondContact O-CB 3.37Å; C121-Y125 PolarHBondContact O-N 3.07Å; C121-F221 HydrophobicContact CB-CD1 4.26Å; C121-F221 HydrophobicContact CB-CE1 3.75Å; C121-F221 HydrophobicContact CB-CZ 4.1Å
122E84Confident84.5Confident85 Ų8559.5 Ų59.540%0.39730%0.297SS..Hα-helixtrans-62.8-46.8178.3-72.4171.4170.100111.6K118 R124 Y125 Q126K118-E122 WeakPolarHBondContact CE-OE1 3.27Å; K118-E122 HydrophobicContact CG-CG 4.48Å; K118-E122 IonicContact NZ-OE1 3.9Å; K118-E122 WeakPolarHBondContact O-CG 3.45Å; K118-E122 PolarHBondContact O-N 2.94Å; E122-R124 VanDerWaalsContact C-N 3.3Å; E122-R124 PolarHBondContact O-N 3Å; E122-Y125 WeakPolarHBondContact O-CB 3.37Å; E122-Y125 PolarHBondContact O-N 3.16Å; E122-Q126 PolarHBondContact O-N 3.24Å
123L86.7Confident82.8Confident86 Ų8661.1 Ų61.145%0.4531%0.306SS..Hα-helixtrans-62.9-39.1176.8-176.959.1000111.5P55 A119 Y125 Q126 Q127P55-L123 HydrophobicContact CB-CD2 3.91Å; P55-L123 HydrophobicContact CB-CG 4.24Å; P55-L123 HydrophobicContact CG-CD2 3.59Å; P55-L123 HydrophobicContact CG-CG 4.44Å; A119-L123 VanDerWaalsContact O-CB 3.3Å; A119-L123 WeakPolarHBondContact O-CB 3.28Å; A119-L123 PolarHBondContact O-N 3.13Å; L123-Y125 VanDerWaalsContact C-N 3.35Å; L123-Q126 PolarHBondContact O-N 2.94Å; L123-Q127 VanDerWaalsContact O-CG 3.29Å; L123-Q127 WeakPolarHBondContact O-CG 3.35Å; L123-Q127 PolarHBondContact O-N 3.28Å
124R82.9Confident81.2Confident87 Ų8768.8 Ų68.833%0.32834%0.339SS..Hα-helixtrans-66.3-39.3177-171.451177.4178.34.2112.2P55 I72 A120 C121 E122 C128P55-R124 VanDerWaalsContact O-CB 3.27Å; P55-R124 WeakPolarHBondContact O-CB 3.38Å; P55-R124 WeakPolarHBondContact O-CD 3.3Å; P55-R124 WeakPolarHBondContact O-CG 3.44Å; I72-R124 HydrophobicContact CB-CG 4.35Å; I72-R124 HydrophobicContact CG2-CB 3.67Å; I72-R124 HydrophobicContact CG2-CG 3.86Å; A120-R124 VanDerWaalsContact O-CB 3.27Å; A120-R124 WeakPolarHBondContact O-CB 3.36Å; A120-R124 PolarHBondContact O-N 2.87Å; C121-R124 PolarHBondContact O-N 3.19Å; E122-R124 VanDerWaalsContact C-N 3.3Å; E122-R124 PolarHBondContact O-N 3Å; R124-C128 PolarHBondContact O-N 2.88Å; R124-C128 PolarHBondContact O-SG 3.39Å; R124-C128 VanDerWaalsContact O-SG 3.35Å
125Y77.1Confident79.6Confident75 Ų7574.6 Ų74.629%0.29437%0.37SS..Hα-helixtrans-61.1-49.7174.1175.8-110.9000111C121 E122 L123 Q127 C128 V129 L224C121-Y125 WeakPolarHBondContact O-CB 3.37Å; C121-Y125 PolarHBondContact O-N 3.07Å; E122-Y125 WeakPolarHBondContact O-CB 3.37Å; E122-Y125 PolarHBondContact O-N 3.16Å; L123-Y125 VanDerWaalsContact C-N 3.35Å; Y125-Q127 VanDerWaalsContact C-N 3.31Å; Y125-Q127 PolarHBondContact O-N 2.92Å; Y125-C128 WeakPolarHBondContact O-CA 3.27Å; Y125-C128 WeakPolarHBondContact O-CB 3.43Å; Y125-C128 PolarHBondContact O-N 2.88Å; Y125-V129 HydrophobicContact CD1-CG2 4.19Å; Y125-V129 HydrophobicContact CD2-CG2 4.23Å; Y125-V129 HydrophobicContact CE1-CG2 3.74Å; Y125-V129 HydrophobicContact CE2-CG2 3.84Å; Y125-V129 HydrophobicContact CG-CG2 4.46Å; Y125-V129 PolarHBondContact O-N 2.81Å; Y125-L224 HydrophobicContact CD1-CD2 3.67Å; Y125-L224 HydrophobicContact CD2-CB 3.77Å; Y125-L224 HydrophobicContact CD2-CD2 4.19Å; Y125-L224 WeakPolarHBondContact CD2-O 3.5Å; Y125-L224 HydrophobicContact CE1-CD2 3.36Å; Y125-L224 VanDerWaalsContact CE2-C 3.41Å; Y125-L224 HydrophobicContact CE2-CB 3.84Å; Y125-L224 HydrophobicContact CE2-CD2 3.9Å; Y125-L224 WeakPolarHBondContact CE2-O 3.32Å; Y125-L224 HydrophobicContact CG-CB 4.1Å; Y125-L224 HydrophobicContact CG-CD2 4.03Å; Y125-L224 VanDerWaalsContact CZ-CD2 3.45Å
126Q78.9Confident77.9Confident91 Ų9173.4 Ų73.443%0.42537%0.373SS..Hα-helixtrans-57-45.4178.9-168.762.244.600111.4E122 L123 C128 V129 D130E122-Q126 PolarHBondContact O-N 3.24Å; L123-Q126 PolarHBondContact O-N 2.94Å; Q126-C128 VanDerWaalsContact C-N 3.27Å; Q126-C128 PolarHBondContact O-N 3.37Å; Q126-V129 PolarHBondContact O-N 2.87Å; Q126-V129 VanDerWaalsContact O-N 3.12Å; Q126-D130 PolarHBondContact NE2-OD1 3.45Å; Q126-D130 WeakPolarHBondContact O-CB 3.21Å; Q126-D130 PolarHBondContact O-N 2.53Å
127Q81.2Confident75.9Confident70 Ų7078.7 Ų78.733%0.32739%0.394SS..Hα-helixtrans-56.9-39175.4-73.6174.8-900113.1L123 Y125 S131L123-Q127 VanDerWaalsContact O-CG 3.29Å; L123-Q127 WeakPolarHBondContact O-CG 3.35Å; L123-Q127 PolarHBondContact O-N 3.28Å; Y125-Q127 VanDerWaalsContact C-N 3.31Å; Y125-Q127 PolarHBondContact O-N 2.92Å; Q127-S131 WeakPolarHBondContact O-CB 3.47Å; Q127-S131 PolarHBondContact O-N 3.4Å; Q127-S131 VanDerWaalsContact O-N 3.13Å; Q127-S131 PolarHBondContact O-OG 2.86Å
128C75.3Confident73.6Confident41 Ų4187.3 Ų87.328%0.27743%0.431SS..Hα-helixtrans-70-40177.1-71.30000111.9R124 Y125 Q126 R132R124-C128 PolarHBondContact O-N 2.88Å; R124-C128 PolarHBondContact O-SG 3.39Å; R124-C128 VanDerWaalsContact O-SG 3.35Å; Y125-C128 WeakPolarHBondContact O-CA 3.27Å; Y125-C128 WeakPolarHBondContact O-CB 3.43Å; Y125-C128 PolarHBondContact O-N 2.88Å; Q126-C128 VanDerWaalsContact C-N 3.27Å; Q126-C128 PolarHBondContact O-N 3.37Å; C128-R132 VanDerWaalsContact O-CG 3.31Å; C128-R132 WeakPolarHBondContact O-CG 3.45Å; C128-R132 PolarHBondContact O-N 3.48Å
129V73.3Confident71.2Confident31 Ų3188.9 Ų88.919%0.18845%0.45CS..Hα-helixtrans-65.2-50.2176.8173.60000110.6Y125 Q126 S131 R132 M133Y125-V129 HydrophobicContact CD1-CG2 4.19Å; Y125-V129 HydrophobicContact CD2-CG2 4.23Å; Y125-V129 HydrophobicContact CE1-CG2 3.74Å; Y125-V129 HydrophobicContact CE2-CG2 3.84Å; Y125-V129 HydrophobicContact CG-CG2 4.46Å; Y125-V129 PolarHBondContact O-N 2.81Å; Q126-V129 PolarHBondContact O-N 2.87Å; Q126-V129 VanDerWaalsContact O-N 3.12Å; V129-S131 VanDerWaalsContact C-N 3.31Å; V129-S131 PolarHBondContact O-N 3.03Å; V129-R132 WeakPolarHBondContact O-CB 3.27Å; V129-R132 PolarHBondContact O-N 2.93Å; V129-M133 HydrophobicContact CG1-CE 4.33Å; V129-M133 WeakPolarHBondContact O-CG 3.34Å; V129-M133 PolarHBondContact O-N 3.44Å; V129-M133 VanDerWaalsContact O-N 3.12Å
130D77.6Confident68.9Low68 Ų6892 Ų9236%0.36447%0.469SS..Hα-helixtrans-58.4-45.2-179.8-64.4-16.2000110.9Q126 R132 M133 F134Q126-D130 PolarHBondContact NE2-OD1 3.45Å; Q126-D130 WeakPolarHBondContact O-CB 3.21Å; Q126-D130 PolarHBondContact O-N 2.53Å; D130-R132 VanDerWaalsContact C-N 3.26Å; D130-R132 PolarHBondContact O-N 2.99Å; D130-M133 PolarHBondContact O-N 2.94Å; D130-M133 VanDerWaalsContact O-N 3.11Å; D130-F134 HydrophobicContact CB-CE2 4.38Å; D130-F134 WeakPolarHBondContact O-CD2 3.33Å; D130-F134 PolarHBondContact O-N 3.46Å; D130-F134 VanDerWaalsContact O-N 3.15Å
131S72.3Confident66.6Low70 Ų7098.3 Ų98.349%0.4950%0.501SS..Hα-helixtrans-60.2-33.4177.1-59.70000113.1Q127 V129 N135Q127-S131 WeakPolarHBondContact O-CB 3.47Å; Q127-S131 PolarHBondContact O-N 3.4Å; Q127-S131 VanDerWaalsContact O-N 3.13Å; Q127-S131 PolarHBondContact O-OG 2.86Å; V129-S131 VanDerWaalsContact C-N 3.31Å; V129-S131 PolarHBondContact O-N 3.03Å; S131-N135 PolarHBondContact O-N 3.42Å; S131-N135 PolarHBondContact O-ND2 2.92Å
132R71.2Confident64.8Low138 Ų138104.3 Ų104.352%0.52153%0.532SS..Hα-helixtrans-71-38.2175.8-70.8170.7-175.6179.12.7111.4C128 V129 D130 F134 N135 T136C128-R132 VanDerWaalsContact O-CG 3.31Å; C128-R132 WeakPolarHBondContact O-CG 3.45Å; C128-R132 PolarHBondContact O-N 3.48Å; V129-R132 WeakPolarHBondContact O-CB 3.27Å; V129-R132 PolarHBondContact O-N 2.93Å; D130-R132 VanDerWaalsContact C-N 3.26Å; D130-R132 PolarHBondContact O-N 2.99Å; R132-F134 PolarHBondContact O-N 3.26Å; R132-N135 PolarHBondContact O-N 2.94Å; R132-N135 VanDerWaalsContact O-N 3.17Å; R132-T136 PolarHBondContact O-N 3.35Å
133M57.9Low63Low106 Ų106108.7 Ų108.752%0.52256%0.557SS.*Hα-helixtrans-66.3-35.7178.5-62.9-62.6153.200112.7V129 D130 N135 T136 H137V129-M133 HydrophobicContact CG1-CE 4.33Å; V129-M133 WeakPolarHBondContact O-CG 3.34Å; V129-M133 PolarHBondContact O-N 3.44Å; V129-M133 VanDerWaalsContact O-N 3.12Å; D130-M133 PolarHBondContact O-N 2.94Å; D130-M133 VanDerWaalsContact O-N 3.11Å; M133-N135 VanDerWaalsContact C-N 3.27Å; M133-N135 PolarHBondContact O-N 2.92Å; M133-T136 PolarHBondContact O-N 3.14Å; M133-T136 PolarHBondContact O-OG1 2.94Å; M133-H137 PolarHBondContact O-CD2 3.31Å
134F60.2Low61.2Low163 Ų163112 Ų11272%0.71558%0.575SS**Hα-helixtrans-67.8-27.9173.9-70.7-67.6000112.9D130 R132 T136D130-F134 HydrophobicContact CB-CE2 4.38Å; D130-F134 WeakPolarHBondContact O-CD2 3.33Å; D130-F134 PolarHBondContact O-N 3.46Å; D130-F134 VanDerWaalsContact O-N 3.15Å; R132-F134 PolarHBondContact O-N 3.26Å; F134-T136 VanDerWaalsContact C-N 3.34Å
135N58.5Low59.6Low134 Ų134111 Ų11172%0.71758%0.576SS**Hα-helixtrans-77-19.5176.6-71.8-19.6000113.1S131 R132 M133S131-N135 PolarHBondContact O-N 3.42Å; S131-N135 PolarHBondContact O-ND2 2.92Å; R132-N135 PolarHBondContact O-N 2.94Å; R132-N135 VanDerWaalsContact O-N 3.17Å; M133-N135 VanDerWaalsContact C-N 3.27Å; M133-N135 PolarHBondContact O-N 2.92Å
136T56.1Low58.6Low99 Ų99114.3 Ų114.361%0.60759%0.594SS**Hα-helixtrans-90.7-12.2-178.650.50000114.7R132 M133 F134R132-T136 PolarHBondContact O-N 3.35Å; M133-T136 PolarHBondContact O-N 3.14Å; M133-T136 PolarHBondContact O-OG1 2.94Å; F134-T136 VanDerWaalsContact C-N 3.34Å
137H52.1Low57.5Low158 Ų158114.6 Ų114.673%0.73161%0.606SS**SBendtrans-103.912.9-177.6-78.8-65.3000115.6M133 P139M133-H137 PolarHBondContact O-CD2 3.31Å; H137-P139 VanDerWaalsContact O-CD 3.31Å; H137-P139 WeakPolarHBondContact O-CD 3.02Å
138K43.8Very low56.2Low181 Ų181117.4 Ų117.479%0.78762%0.618SS**  trans-89.1111.2174-146.2173.8-173178.50109.3S140K138-S140 PolarHBondContact O-N 2.87Å
139P38Very low55.1Low110 Ų110123.3 Ų123.371%0.71463%0.634SS**  trans-66.6109.9174.126.3-29.1000107.7H137 N141H137-P139 VanDerWaalsContact O-CD 3.31Å; H137-P139 WeakPolarHBondContact O-CD 3.02Å; P139-N141 PolarHBondContact O-N 3.11Å
140S42.5Very low54Low120 Ų120130.3 Ų130.384%0.83966%0.657SS**  trans-75.773.1174.6610000109.8K138 N142K138-S140 PolarHBondContact O-N 2.87Å; S140-N142 PolarHBondContact O-N 3.1Å
141N41.9Very low52.8Low140 Ų140133.2 Ų133.275%0.74967%0.672SS**  trans-72.6111.8146.5-75.6-13.3000106P139P139-N141 PolarHBondContact O-N 3.11Å
142N49.4Very low51.9Low137 Ų137133.7 Ų133.773%0.73367%0.672SS**  trans167.993.6138.5-79.6-10.2000110.1S140 L144S140-N142 PolarHBondContact O-N 3.1Å; N142-L144 VanDerWaalsContact C-N 3.26Å; N142-L144 PolarHBondContact O-N 3.01Å; N142-L144 VanDerWaalsContact O-N 3.16Å
143L46.8Very low50.9Low177 Ų177132.3 Ų132.393%0.92767%0.671SS**  trans-76.175.4163.2-163.5131.4000107.1
144L47.4Very low50.7Low157 Ų157133.6 Ų133.682%0.82268%0.675SS**  trans-173.973.5177.8-98.4151.1000109.6N142N142-L144 VanDerWaalsContact C-N 3.26Å; N142-L144 PolarHBondContact O-N 3.01Å; N142-L144 VanDerWaalsContact O-N 3.16Å
145D50.5Low50.3Low66 Ų66129.2 Ų129.235%0.35367%0.665SS.*  trans-174.449.5149.3-131.8-21.5000114.1S147 K148 R149D145-S147 PolarHBondContact O-N 3.43Å; D145-K148 HydrophobicContact CB-CB 4.47Å; D145-K148 VanDerWaalsContact OD1-CB 3.23Å; D145-K148 WeakPolarHBondContact OD1-CB 3.48Å; D145-K148 WeakPolarHBondContact OD1-CG 3.35Å; D145-K148 PolarHBondContact OD1-N 3.33Å; D145-K148 WeakPolarHBondContact OD2-CD 3.46Å; D145-K148 WeakPolarHBondContact OD2-CE 3.41Å; D145-K148 IonicContact OD2-NZ 3.9Å; D145-K148 PolarHBondContact OD2-NZ 2.75Å; D145-R149 WeakPolarHBondContact O-CG 3.36Å; D145-R149 PolarHBondContact O-N 2.87Å
146E55.4Low50.1Low143 Ų143126 Ų12667%0.66865%0.648SS**Hα-helixtrans-68.5-24.9178.8-150.9177.6154.700112.5R150E146-R150 IonicContact OE1-NH2 3.75Å
147S55.8Low50.1Low98 Ų98128 Ų12869%0.68565%0.648SS**Hα-helixtrans-80.3-33.1-179.9-50.70000113.6D145D145-S147 PolarHBondContact O-N 3.43Å
148K53.9Low50.2Low129 Ų129125.8 Ų125.856%0.56164%0.638SS**Hα-helixtrans-77.2-27.2172.1-69.1-172.2-143.3145.70113.3D145 R150 L151 V152D145-K148 HydrophobicContact CB-CB 4.47Å; D145-K148 VanDerWaalsContact OD1-CB 3.23Å; D145-K148 WeakPolarHBondContact OD1-CB 3.48Å; D145-K148 WeakPolarHBondContact OD1-CG 3.35Å; D145-K148 PolarHBondContact OD1-N 3.33Å; D145-K148 WeakPolarHBondContact OD2-CD 3.46Å; D145-K148 WeakPolarHBondContact OD2-CE 3.41Å; D145-K148 IonicContact OD2-NZ 3.9Å; D145-K148 PolarHBondContact OD2-NZ 2.75Å; K148-R150 VanDerWaalsContact C-N 3.3Å; K148-R150 PolarHBondContact O-N 3.16Å; K148-L151 PolarHBondContact O-N 3.24Å; K148-V152 VanDerWaalsContact O-CG2 3.31Å; K148-V152 WeakPolarHBondContact O-CG2 3.46Å; K148-V152 PolarHBondContact O-N 2.62Å
149R52.5Low50.7Low165 Ų165121.1 Ų121.162%0.62362%0.621SS**Hα-helixtrans-59-38.8176.6-74.5179.7-164.2-145.35.2112.6D145 E153D145-R149 WeakPolarHBondContact O-CG 3.36Å; D145-R149 PolarHBondContact O-N 2.87Å; R149-E153 WeakPolarHBondContact O-CB 3.34Å; R149-E153 WeakPolarHBondContact O-CG 3.29Å; R149-E153 PolarHBondContact O-N 2.8Å
150R51Low51.6Low177 Ų177121.7 Ų121.767%0.66861%0.612SS**Hα-helixtrans-70.8-31.7179.1-61.7-171.6-163.2-173.24.7113.6E146 K148 H154E146-R150 IonicContact OE1-NH2 3.75Å; K148-R150 VanDerWaalsContact C-N 3.3Å; K148-R150 PolarHBondContact O-N 3.16Å; R150-H154 PolarHBondContact O-N 2.82Å
151L52.9Low52.3Low129 Ų129119 Ų11968%0.67559%0.593SS**Hα-helixtrans-75.8-40.7175.6-74165.7000111.6K148 H154 S155K148-L151 PolarHBondContact O-N 3.24Å; L151-H154 PolarHBondContact O-N 3.2Å; L151-S155 PolarHBondContact O-N 3.48Å; L151-S155 PolarHBondContact O-OG 3.41Å
152V52.1Low53.2Low80 Ų80118.4 Ų118.449%0.48559%0.586SS.*Hα-helixtrans-64.8-39174.9175.30000111.1K148 H154 S155 D156K148-V152 VanDerWaalsContact O-CG2 3.31Å; K148-V152 WeakPolarHBondContact O-CG2 3.46Å; K148-V152 PolarHBondContact O-N 2.62Å; V152-H154 VanDerWaalsContact C-N 3.32Å; V152-H154 PolarHBondContact O-N 3.43Å; V152-S155 PolarHBondContact O-N 3.48Å; V152-D156 VanDerWaalsContact O-CB 3.3Å; V152-D156 WeakPolarHBondContact O-CB 3.22Å; V152-D156 PolarHBondContact O-N 3.33Å
153E50.9Low53.5Low109 Ų109117.5 Ų117.551%0.50958%0.577SS.*Hα-helixtrans-64.5-31.9177.4-82.9-178.9179.900113.9R149 K157R149-E153 WeakPolarHBondContact O-CB 3.34Å; R149-E153 WeakPolarHBondContact O-CG 3.29Å; R149-E153 PolarHBondContact O-N 2.8Å; E153-K157 VanDerWaalsContact O-CG 3.25Å; E153-K157 WeakPolarHBondContact O-CG 3.42Å; E153-K157 PolarHBondContact O-N 2.87Å; E153-K157 VanDerWaalsContact O-N 3.14Å
154H52.4Low54.1Low133 Ų133114.1 Ų114.162%0.61656%0.559SS**Hα-helixtrans-76.7-37.8177.9-157.2-55.3000111.8R150 L151 V152 Q158R150-H154 PolarHBondContact O-N 2.82Å; L151-H154 PolarHBondContact O-N 3.2Å; V152-H154 VanDerWaalsContact C-N 3.32Å; V152-H154 PolarHBondContact O-N 3.43Å; H154-Q158 PolarHBondContact O-N 3Å
155S52.1Low54.9Low72 Ų72111.8 Ų111.850%0.50355%0.547SS..Hα-helixtrans-67.3-39.8171.8-61.20000111.9L151 V152 K157 Q158 I159L151-S155 PolarHBondContact O-N 3.48Å; L151-S155 PolarHBondContact O-OG 3.41Å; V152-S155 PolarHBondContact O-N 3.48Å; S155-K157 VanDerWaalsContact C-N 3.33Å; S155-K157 PolarHBondContact O-N 2.88Å; S155-Q158 PolarHBondContact O-N 2.93Å; S155-I159 VanDerWaalsContact O-CG1 3.28Å; S155-I159 WeakPolarHBondContact O-CG1 3.48Å; S155-I159 PolarHBondContact O-N 3.18Å
156D55.5Low55.5Low66 Ų66114.6 Ų114.635%0.35356%0.558SS.*Hα-helixtrans-64.9-35.1177.1-83.8-15.4000112.6V152 K160V152-D156 VanDerWaalsContact O-CB 3.3Å; V152-D156 WeakPolarHBondContact O-CB 3.22Å; V152-D156 PolarHBondContact O-N 3.33Å; D156-K160 VanDerWaalsContact O-CB 3.25Å; D156-K160 WeakPolarHBondContact O-CB 3.27Å; D156-K160 WeakPolarHBondContact O-CD 3.36Å; D156-K160 WeakPolarHBondContact O-CG 3.05Å; D156-K160 PolarHBondContact O-N 2.87Å
157K55.4Low55.5Low140 Ų140113 Ų11361%0.60955%0.552SS**Hα-helixtrans-66.2-40.5175.2-77.7171.3-175.3176.20111.8E153 S155 S161E153-K157 VanDerWaalsContact O-CG 3.25Å; E153-K157 WeakPolarHBondContact O-CG 3.42Å; E153-K157 PolarHBondContact O-N 2.87Å; E153-K157 VanDerWaalsContact O-N 3.14Å; S155-K157 VanDerWaalsContact C-N 3.33Å; S155-K157 PolarHBondContact O-N 2.88Å; K157-S161 PolarHBondContact O-N 3.16Å; K157-S161 PolarHBondContact O-OG 2.95Å
158Q54.3Low55.7Low112 Ų112113.2 Ų113.252%0.52355%0.545SS..Hα-helixtrans-66.8-44.4176-161.192.75.100111.3H154 S155 K160 S161 E162H154-Q158 PolarHBondContact O-N 3Å; S155-Q158 PolarHBondContact O-N 2.93Å; Q158-K160 VanDerWaalsContact C-N 3.35Å; Q158-K160 PolarHBondContact O-N 3.08Å; Q158-S161 PolarHBondContact O-N 2.85Å; Q158-S161 PolarHBondContact O-OG 3.26Å; Q158-E162 WeakPolarHBondContact O-CG 3.28Å; Q158-E162 PolarHBondContact O-N 3.07Å
159I55.1Low56.4Low83 Ų83111.2 Ų111.243%0.42654%0.54SS..Hα-helixtrans-64.9-40.9178.1-67164.2000110.5S155 E162 Q163S155-I159 VanDerWaalsContact O-CG1 3.28Å; S155-I159 WeakPolarHBondContact O-CG1 3.48Å; S155-I159 PolarHBondContact O-N 3.18Å; I159-E162 PolarHBondContact O-N 2.87Å; I159-Q163 HydrophobicContact CG2-CG 4.39Å; I159-Q163 WeakPolarHBondContact O-CB 3.34Å; I159-Q163 WeakPolarHBondContact O-CG 3.2Å; I159-Q163 PolarHBondContact O-N 3.5Å
160K56.2Low56.8Low123 Ų123105.7 Ų105.754%0.53552%0.524SS..Hα-helixtrans-64.7-41.2175.9-75.7169.1-175.6171.90112D156 Q158 Q163 I164D156-K160 VanDerWaalsContact O-CB 3.25Å; D156-K160 WeakPolarHBondContact O-CB 3.27Å; D156-K160 WeakPolarHBondContact O-CD 3.36Å; D156-K160 WeakPolarHBondContact O-CG 3.05Å; D156-K160 PolarHBondContact O-N 2.87Å; Q158-K160 VanDerWaalsContact C-N 3.35Å; Q158-K160 PolarHBondContact O-N 3.08Å; K160-Q163 PolarHBondContact O-N 3.5Å; K160-I164 WeakPolarHBondContact O-CB 3.35Å; K160-I164 WeakPolarHBondContact O-CD1 3.33Å; K160-I164 WeakPolarHBondContact O-CG1 3.21Å; K160-I164 PolarHBondContact O-N 2.9Å
161S57.9Low56.9Low62 Ų6297.8 Ų97.843%0.43450%0.496SS..Hα-helixtrans-67.7-40.3178.164.60000112.1K157 Q158 I164 L165K157-S161 PolarHBondContact O-N 3.16Å; K157-S161 PolarHBondContact O-OG 2.95Å; Q158-S161 PolarHBondContact O-N 2.85Å; Q158-S161 PolarHBondContact O-OG 3.26Å; S161-I164 PolarHBondContact O-N 2.95Å; S161-L165 WeakPolarHBondContact O-CB 3.44Å; S161-L165 PolarHBondContact O-N 2.9Å
162E61Low57.4Low129 Ų12997.2 Ų97.260%0.60349%0.49SS*.Hα-helixtrans-64.5-41.4173.3-74.1-166.9167.300112.4Q158 I159 I164 L165 H166Q158-E162 WeakPolarHBondContact O-CG 3.28Å; Q158-E162 PolarHBondContact O-N 3.07Å; I159-E162 PolarHBondContact O-N 2.87Å; E162-I164 PolarHBondContact O-N 3.44Å; E162-L165 PolarHBondContact O-N 3.26Å; E162-H166 WeakPolarHBondContact O-CB 3.47Å; E162-H166 PolarHBondContact O-N 2.88Å
163Q54.5Low57.9Low117 Ų11798.7 Ų98.755%0.54750%0.495SS..Hα-helixtrans-62.7-41.7174.8-76.7176.61.800112.1I159 K160 L165 H166 M167I159-Q163 HydrophobicContact CG2-CG 4.39Å; I159-Q163 WeakPolarHBondContact O-CB 3.34Å; I159-Q163 WeakPolarHBondContact O-CG 3.2Å; I159-Q163 PolarHBondContact O-N 3.5Å; K160-Q163 PolarHBondContact O-N 3.5Å; Q163-L165 VanDerWaalsContact C-N 3.33Å; Q163-H166 PolarHBondContact O-N 2.98Å; Q163-M167 WeakPolarHBondContact O-CB 3.5Å; Q163-M167 WeakPolarHBondContact O-CG 3.46Å; Q163-M167 PolarHBondContact O-N 2.71Å
164I60.1Low58.2Low106 Ų10698.3 Ų98.354%0.54449%0.493SS..Hα-helixtrans-62.3-42.5175.1-70.1162.4000110.5K160 S161 E162 M167 N168K160-I164 WeakPolarHBondContact O-CB 3.35Å; K160-I164 WeakPolarHBondContact O-CD1 3.33Å; K160-I164 WeakPolarHBondContact O-CG1 3.21Å; K160-I164 PolarHBondContact O-N 2.9Å; S161-I164 PolarHBondContact O-N 2.95Å; E162-I164 PolarHBondContact O-N 3.44Å; I164-M167 PolarHBondContact O-N 3.34Å; I164-N168 WeakPolarHBondContact O-CB 3.4Å; I164-N168 PolarHBondContact O-N 3.37Å
165L64.3Low58.5Low109 Ų10996.5 Ų96.557%0.57148%0.483SS*.Hα-helixtrans-65.8-42.4178.6-163.4137.3000111.4S161 E162 Q163 N168 I169S161-L165 WeakPolarHBondContact O-CB 3.44Å; S161-L165 PolarHBondContact O-N 2.9Å; E162-L165 PolarHBondContact O-N 3.26Å; Q163-L165 VanDerWaalsContact C-N 3.33Å; L165-N168 PolarHBondContact O-N 3.01Å; L165-I169 HydrophobicContact CD2-CD1 3.6Å; L165-I169 HydrophobicContact CD2-CG1 4.42Å; L165-I169 WeakPolarHBondContact O-CG1 2.85Å; L165-I169 PolarHBondContact O-N 3.3Å
166H62.3Low59Low124 Ų12497 Ų9757%0.57448%0.483SS*.Hα-helixtrans-62.7-43.6173.9-170.2-94.4000111.9E162 Q163 N168 I169 V170E162-H166 WeakPolarHBondContact O-CB 3.47Å; E162-H166 PolarHBondContact O-N 2.88Å; Q163-H166 PolarHBondContact O-N 2.98Å; H166-N168 VanDerWaalsContact C-N 3.33Å; H166-N168 PolarHBondContact O-N 2.98Å; H166-I169 PolarHBondContact O-N 3.41Å; H166-V170 VanDerWaalsContact O-CG2 3.31Å; H166-V170 WeakPolarHBondContact O-CG2 3.31Å; H166-V170 PolarHBondContact O-N 3.13Å
167M54.7Low59.4Low111 Ų11199.9 Ų99.955%0.54749%0.492SS..Hα-helixtrans-61.5-40.4175.2-72.9-69.2-76.700111.9A95 Q163 I164 S171A95-M167 HydrophobicContact CB-CE 4.23Å; Q163-M167 WeakPolarHBondContact O-CB 3.5Å; Q163-M167 WeakPolarHBondContact O-CG 3.46Å; Q163-M167 PolarHBondContact O-N 2.71Å; I164-M167 PolarHBondContact O-N 3.34Å; M167-S171 VanDerWaalsContact O-CB 3.28Å; M167-S171 WeakPolarHBondContact O-CB 3.29Å; M167-S171 PolarHBondContact O-N 2.89Å
168N61.7Low59.3Low101 Ų10196.4 Ų96.454%0.5449%0.485SS..Hα-helixtrans-65.1-43.5174.8-81.9-14.9000112.1I164 L165 H166 S171 Q172I164-N168 WeakPolarHBondContact O-CB 3.4Å; I164-N168 PolarHBondContact O-N 3.37Å; L165-N168 PolarHBondContact O-N 3.01Å; H166-N168 VanDerWaalsContact C-N 3.33Å; H166-N168 PolarHBondContact O-N 2.98Å; N168-S171 PolarHBondContact O-N 3.4Å; N168-Q172 VanDerWaalsContact O-CG 3.27Å; N168-Q172 WeakPolarHBondContact O-CG 3.33Å; N168-Q172 PolarHBondContact O-N 3.48Å
169I66.9Low59.3Low88 Ų8892.4 Ų92.445%0.45147%0.474SS..Hα-helixtrans-62.7-45.9176.9-69.5171000110.7L165 H166 Q172 L173L165-I169 HydrophobicContact CD2-CD1 3.6Å; L165-I169 HydrophobicContact CD2-CG1 4.42Å; L165-I169 WeakPolarHBondContact O-CG1 2.85Å; L165-I169 PolarHBondContact O-N 3.3Å; H166-I169 PolarHBondContact O-N 3.41Å; I169-Q172 PolarHBondContact O-N 3.4Å; I169-L173 HydrophobicContact CG2-CD1 4.07Å; I169-L173 HydrophobicContact CG2-CG 4.49Å; I169-L173 WeakPolarHBondContact O-CG 3.44Å; I169-L173 PolarHBondContact O-N 3.26Å
170V61.6Low59.6Low49 Ų4992.6 Ų92.630%0.29748%0.475SS..Hα-helixtrans-61.9-45.1177.1173.10000110.8H166 Q172 L173 E174H166-V170 VanDerWaalsContact O-CG2 3.31Å; H166-V170 WeakPolarHBondContact O-CG2 3.31Å; H166-V170 PolarHBondContact O-N 3.13Å; V170-Q172 VanDerWaalsContact C-N 3.33Å; V170-Q172 PolarHBondContact O-N 2.93Å; V170-L173 PolarHBondContact O-N 3.16Å; V170-E174 HydrophobicContact CG1-CG 4.44Å; V170-E174 WeakPolarHBondContact O-CG 3.33Å; V170-E174 PolarHBondContact O-N 3.24Å
171S54.1Low59.9Low11 Ų1193.1 Ų93.18%0.07748%0.478CS..Hα-helixtrans-56-45.3174169.80000112D96 M167 N168 E174 K175D96-S171 VanDerWaalsContact OD1-CB 3.29Å; D96-S171 WeakPolarHBondContact OD1-CB 3.35Å; D96-S171 PolarHBondContact OD1-OG 3.31Å; D96-S171 PolarHBondContact OD2-OG 3.35Å; M167-S171 VanDerWaalsContact O-CB 3.28Å; M167-S171 WeakPolarHBondContact O-CB 3.29Å; M167-S171 PolarHBondContact O-N 2.89Å; N168-S171 PolarHBondContact O-N 3.4Å; S171-E174 PolarHBondContact O-N 3.23Å; S171-K175 WeakPolarHBondContact O-CG 3.46Å; S171-K175 PolarHBondContact O-N 3.46Å; S171-K175 PolarHBondContact OG-NZ 3.19Å
172Q62.4Low60Low116 Ų11698.4 Ų98.454%0.54249%0.488SS..Hα-helixtrans-65-42.9177.3-68.9-64.6-10.100111.9N168 I169 V170 E174 K175 V176N168-Q172 VanDerWaalsContact O-CG 3.27Å; N168-Q172 WeakPolarHBondContact O-CG 3.33Å; N168-Q172 PolarHBondContact O-N 3.48Å; I169-Q172 PolarHBondContact O-N 3.4Å; V170-Q172 VanDerWaalsContact C-N 3.33Å; V170-Q172 PolarHBondContact O-N 2.93Å; Q172-E174 VanDerWaalsContact C-N 3.33Å; Q172-E174 PolarHBondContact O-N 2.78Å; Q172-K175 PolarHBondContact O-N 3.36Å; Q172-V176 VanDerWaalsContact O-CG2 3.3Å; Q172-V176 WeakPolarHBondContact O-CG2 3.46Å; Q172-V176 PolarHBondContact O-N 3.27Å
173L63.5Low60.1Low112 Ų112100.1 Ų100.159%0.58649%0.489SS*.Hα-helixtrans-61.2-41175.2-75.5172.1000111.8I169 V170 V176 K177I169-L173 HydrophobicContact CG2-CD1 4.07Å; I169-L173 HydrophobicContact CG2-CG 4.49Å; I169-L173 WeakPolarHBondContact O-CG 3.44Å; I169-L173 PolarHBondContact O-N 3.26Å; V170-L173 PolarHBondContact O-N 3.16Å; L173-V176 PolarHBondContact O-N 2.94Å; L173-K177 VanDerWaalsContact O-CB 3.3Å; L173-K177 WeakPolarHBondContact O-CB 3.43Å; L173-K177 PolarHBondContact O-N 2.91Å
174E55.5Low60.7Low101 Ų10199.4 Ų99.447%0.47249%0.488SS..Hα-helixtrans-67.9-40.7176.8-74.8-172.116100112.3V170 S171 Q172 V176 K177 C178V170-E174 HydrophobicContact CG1-CG 4.44Å; V170-E174 WeakPolarHBondContact O-CG 3.33Å; V170-E174 PolarHBondContact O-N 3.24Å; S171-E174 PolarHBondContact O-N 3.23Å; Q172-E174 VanDerWaalsContact C-N 3.33Å; Q172-E174 PolarHBondContact O-N 2.78Å; E174-V176 PolarHBondContact O-N 3.43Å; E174-K177 WeakPolarHBondContact O-CB 3.14Å; E174-K177 PolarHBondContact O-N 2.84Å; E174-C178 WeakPolarHBondContact O-CB 3.46Å; E174-C178 PolarHBondContact O-N 2.97Å; E174-C178 PolarHBondContact O-SG 3.31Å
175K58.6Low60.8Low94 Ų9498.5 Ų98.541%0.40948%0.478SS..Hα-helixtrans-60-44.9172.8-76.7167.3-177.9150.60111.8D96 S171 Q172 C178 G179D96-K175 IonicContact OD1-NZ 2.9Å; D96-K175 WeakPolarHBondContact OD2-CE 3.3Å; D96-K175 IonicContact OD2-NZ 3.93Å; S171-K175 WeakPolarHBondContact O-CG 3.46Å; S171-K175 PolarHBondContact O-N 3.46Å; S171-K175 PolarHBondContact OG-NZ 3.19Å; Q172-K175 PolarHBondContact O-N 3.36Å; K175-C178 PolarHBondContact O-N 2.99Å; K175-G179 PolarHBondContact O-N 3.47Å
176V64.2Low60.7Low84 Ų8497.9 Ų97.951%0.50947%0.473SS..Hα-helixtrans-62.1-45.5174.8172.40000110.2Q172 L173 E174 G179 L180Q172-V176 VanDerWaalsContact O-CG2 3.3Å; Q172-V176 WeakPolarHBondContact O-CG2 3.46Å; Q172-V176 PolarHBondContact O-N 3.27Å; L173-V176 PolarHBondContact O-N 2.94Å; E174-V176 PolarHBondContact O-N 3.43Å; V176-G179 PolarHBondContact O-N 3.14Å; V176-L180 HydrophobicContact CG1-CD1 3.8Å; V176-L180 HydrophobicContact CG1-CG 4.28Å; V176-L180 WeakPolarHBondContact O-CB 3.38Å; V176-L180 VanDerWaalsContact O-CG 3.3Å; V176-L180 WeakPolarHBondContact O-CG 3.47Å; V176-L180 PolarHBondContact O-N 3.35Å
177K63.3Low60.8Low126 Ų12698 Ų9855%0.54847%0.473SS..Hα-helixtrans-59.8-49.5177.1-177.9-178.3173.9-172.20111.7L173 E174 G179 L180 F181L173-K177 VanDerWaalsContact O-CB 3.3Å; L173-K177 WeakPolarHBondContact O-CB 3.43Å; L173-K177 PolarHBondContact O-N 2.91Å; E174-K177 WeakPolarHBondContact O-CB 3.14Å; E174-K177 PolarHBondContact O-N 2.84Å; K177-G179 VanDerWaalsContact C-N 3.33Å; K177-G179 PolarHBondContact O-N 3.26Å; K177-L180 PolarHBondContact O-N 3.33Å; K177-F181 HydrophobicContact CD-CE2 4.46Å; K177-F181 HydrophobicContact CG-CD2 3.72Å; K177-F181 HydrophobicContact CG-CE2 3.88Å; K177-F181 WeakPolarHBondContact O-CB 3.18Å; K177-F181 WeakPolarHBondContact O-CD2 3.49Å; K177-F181 PolarHBondContact O-N 2.81Å
178C52.6Low61.6Low67 Ų6798.5 Ų98.545%0.45347%0.472SS..Hα-helixtrans-60.1-42.8176.5-77.20000111.6E174 K175 R182E174-C178 WeakPolarHBondContact O-CB 3.46Å; E174-C178 PolarHBondContact O-N 2.97Å; E174-C178 PolarHBondContact O-SG 3.31Å; K175-C178 PolarHBondContact O-N 2.99Å; C178-R182 VanDerWaalsContact O-CB 3.24Å; C178-R182 WeakPolarHBondContact O-CB 3.02Å; C178-R182 PolarHBondContact O-N 3.35Å
179G55.3Low61.7Low28 Ų2895.8 Ų95.829%0.28946%0.458SS..Hα-helixtrans-61.4-46.1174.600000112.6K175 V176 K177 R182 R183K175-G179 PolarHBondContact O-N 3.47Å; V176-G179 PolarHBondContact O-N 3.14Å; K177-G179 VanDerWaalsContact C-N 3.33Å; K177-G179 PolarHBondContact O-N 3.26Å; G179-R182 PolarHBondContact O-N 3.15Å; G179-R183 WeakPolarHBondContact O-CG 3.25Å; G179-R183 PolarHBondContact O-N 3.28Å
180L60.9Low61.8Low87 Ų8799.3 Ų99.346%0.45547%0.466SS..Hα-helixtrans-64.7-48.1177.2-73.6171.2000111.5V176 K177 R182 R183 I184V176-L180 HydrophobicContact CG1-CD1 3.8Å; V176-L180 HydrophobicContact CG1-CG 4.28Å; V176-L180 WeakPolarHBondContact O-CB 3.38Å; V176-L180 VanDerWaalsContact O-CG 3.3Å; V176-L180 WeakPolarHBondContact O-CG 3.47Å; V176-L180 PolarHBondContact O-N 3.35Å; K177-L180 PolarHBondContact O-N 3.33Å; L180-R182 VanDerWaalsContact C-N 3.3Å; L180-R182 PolarHBondContact O-N 3.11Å; L180-R183 PolarHBondContact O-N 2.87Å; L180-R183 VanDerWaalsContact O-N 3.15Å; L180-I184 WeakPolarHBondContact O-CB 3.5Å; L180-I184 VanDerWaalsContact O-CG1 3.24Å; L180-I184 WeakPolarHBondContact O-CG1 3.31Å; L180-I184 PolarHBondContact O-N 3.12Å
181F63.2Low62.1Low134 Ų134101 Ų10159%0.58847%0.472SS*.Hα-helixtrans-59.4-42.1175.9-94.4-81.3000111.6K177 I184 Y185K177-F181 HydrophobicContact CD-CE2 4.46Å; K177-F181 HydrophobicContact CG-CD2 3.72Å; K177-F181 HydrophobicContact CG-CE2 3.88Å; K177-F181 WeakPolarHBondContact O-CB 3.18Å; K177-F181 WeakPolarHBondContact O-CD2 3.49Å; K177-F181 PolarHBondContact O-N 2.81Å; F181-I184 PolarHBondContact O-N 3.27Å; F181-Y185 WeakPolarHBondContact O-CB 3.02Å; F181-Y185 PolarHBondContact O-N 3.43Å
182R59Low62.5Low172 Ų172105.3 Ų105.365%0.64949%0.49SS*.Hα-helixtrans-60.7-45.3174.4-178.3177.8174.3-179.3-0.2111.5C178 G179 L180 Y185 Q186C178-R182 VanDerWaalsContact O-CB 3.24Å; C178-R182 WeakPolarHBondContact O-CB 3.02Å; C178-R182 PolarHBondContact O-N 3.35Å; G179-R182 PolarHBondContact O-N 3.15Å; L180-R182 VanDerWaalsContact C-N 3.3Å; L180-R182 PolarHBondContact O-N 3.11Å; R182-Y185 PolarHBondContact O-N 3.24Å; R182-Q186 HydrophobicContact CG-CG 4.39Å; R182-Q186 VanDerWaalsContact O-CB 3.28Å; R182-Q186 WeakPolarHBondContact O-CB 3.49Å; R182-Q186 WeakPolarHBondContact O-CG 3.44Å; R182-Q186 PolarHBondContact O-N 3.07Å
183R62.6Low62.4Low166 Ų166104 Ų10463%0.62649%0.493SS*.Hα-helixtrans-66.1-45.3177.9-72.8-178.4-161.4172.95.4112.2G179 L180 Y185 Q186 Q187G179-R183 WeakPolarHBondContact O-CG 3.25Å; G179-R183 PolarHBondContact O-N 3.28Å; L180-R183 PolarHBondContact O-N 2.87Å; L180-R183 VanDerWaalsContact O-N 3.15Å; R183-Y185 VanDerWaalsContact C-N 3.29Å; R183-Y185 PolarHBondContact O-N 3.49Å; R183-Q186 PolarHBondContact O-N 3.12Å; R183-Q187 WeakPolarHBondContact O-CB 3.48Å; R183-Q187 WeakPolarHBondContact O-CG 3.38Å; R183-Q187 PolarHBondContact O-N 3.04Å
184I66.9Low62.2Low101 Ų101103.3 Ų103.352%0.51849%0.49SS..Hα-helixtrans-59.8-44.2176.2-68.2165.1000109.8L180 F181 Q187 K188L180-I184 WeakPolarHBondContact O-CB 3.5Å; L180-I184 VanDerWaalsContact O-CG1 3.24Å; L180-I184 WeakPolarHBondContact O-CG1 3.31Å; L180-I184 PolarHBondContact O-N 3.12Å; F181-I184 PolarHBondContact O-N 3.27Å; I184-Q187 PolarHBondContact O-N 2.97Å; I184-K188 VanDerWaalsContact O-CB 3.27Å; I184-K188 WeakPolarHBondContact O-CB 3.22Å; I184-K188 PolarHBondContact O-N 3.01Å
185Y62.4Low62.2Low88 Ų88104 Ų10435%0.34550%0.496SS..Hα-helixtrans-65.7-44.5177.7-172.9-96.3000112.1Q45 F181 R182 R183 K188 N189Q45-Y185 PolarHBondContact OE1-OH 2.92Å; F181-Y185 WeakPolarHBondContact O-CB 3.02Å; F181-Y185 PolarHBondContact O-N 3.43Å; R182-Y185 PolarHBondContact O-N 3.24Å; R183-Y185 VanDerWaalsContact C-N 3.29Å; R183-Y185 PolarHBondContact O-N 3.49Å; Y185-K188 PolarHBondContact O-N 3.02Å; Y185-N189 WeakPolarHBondContact CE1-ND2 3.41Å; Y185-N189 WeakPolarHBondContact O-CB 2.81Å; Y185-N189 PolarHBondContact O-N 3.34Å
186Q62.7Low61.5Low96 Ų96105.8 Ų105.845%0.44951%0.509SS..Hα-helixtrans-62.5-43175.5-76.6172.7-22.600111.9R182 R183 N189 W190R182-Q186 HydrophobicContact CG-CG 4.39Å; R182-Q186 VanDerWaalsContact O-CB 3.28Å; R182-Q186 WeakPolarHBondContact O-CB 3.49Å; R182-Q186 WeakPolarHBondContact O-CG 3.44Å; R182-Q186 PolarHBondContact O-N 3.07Å; R183-Q186 PolarHBondContact O-N 3.12Å; Q186-N189 PolarHBondContact O-N 3.24Å; Q186-W190 VanDerWaalsContact O-CB 3.23Å; Q186-W190 WeakPolarHBondContact O-CB 3.37Å; Q186-W190 PolarHBondContact O-N 3.05Å
187Q64.6Low60.3Low125 Ų125107.1 Ų107.158%0.58452%0.52SS*.Hα-helixtrans-64.5-45.7175.3-78.2-178.6-13.900111.4R183 I184 N189 W190 I191R183-Q187 WeakPolarHBondContact O-CB 3.48Å; R183-Q187 WeakPolarHBondContact O-CG 3.38Å; R183-Q187 PolarHBondContact O-N 3.04Å; I184-Q187 PolarHBondContact O-N 2.97Å; Q187-N189 VanDerWaalsContact C-N 3.29Å; Q187-N189 PolarHBondContact O-N 2.97Å; Q187-W190 PolarHBondContact O-N 2.95Å; Q187-I191 WeakPolarHBondContact O-CB 3.35Å; Q187-I191 VanDerWaalsContact O-CG1 3.23Å; Q187-I191 WeakPolarHBondContact O-CG1 3.19Å; Q187-I191 PolarHBondContact O-N 3.37Å
188K70.6Confident58.9Low122 Ų122111.4 Ų111.453%0.5353%0.534SS..Hα-helixtrans-58.1-42.5175.7-177.2-179.1178.9-179.50111.6I184 Y185 K192I184-K188 VanDerWaalsContact O-CB 3.27Å; I184-K188 WeakPolarHBondContact O-CB 3.22Å; I184-K188 PolarHBondContact O-N 3.01Å; Y185-K188 PolarHBondContact O-N 3.02Å; K188-K192 PolarHBondContact O-N 2.9Å
189N63.7Low58.1Low45 Ų45113.4 Ų113.424%0.24155%0.549CS..Hα-helixtrans-72.3-40177.6-80.3-2.6000112.5Y185 Q186 Q187 I191 K192 S193Y185-N189 WeakPolarHBondContact CE1-ND2 3.41Å; Y185-N189 WeakPolarHBondContact O-CB 2.81Å; Y185-N189 PolarHBondContact O-N 3.34Å; Q186-N189 PolarHBondContact O-N 3.24Å; Q187-N189 VanDerWaalsContact C-N 3.29Å; Q187-N189 PolarHBondContact O-N 2.97Å; N189-I191 VanDerWaalsContact C-N 3.34Å; N189-I191 PolarHBondContact O-N 3.36Å; N189-K192 PolarHBondContact O-N 3.47Å; N189-S193 PolarHBondContact O-N 3.29Å; N189-S193 PolarHBondContact O-OG 3.36Å
190W70.4Confident57.2Low162 Ų162116.1 Ų116.161%0.61456%0.563SS**Hα-helixtrans-63-39.8175.3-17888.5000111.8Q186 Q187 S193 N194Q186-W190 VanDerWaalsContact O-CB 3.23Å; Q186-W190 WeakPolarHBondContact O-CB 3.37Å; Q186-W190 PolarHBondContact O-N 3.05Å; Q187-W190 PolarHBondContact O-N 2.95Å; W190-S193 WeakPolarHBondContact CA-OG 3.46Å; W190-S193 PolarHBondContact O-N 3.41Å; W190-S193 PolarHBondContact O-OG 3.46Å; W190-S193 VanDerWaalsContact O-OG 3.05Å; W190-N194 VanDerWaalsContact CD1-ND2 3.28Å; W190-N194 PolarHBondContact NE1-ND2 3.17Å; W190-N194 WeakPolarHBondContact O-CB 3.38Å; W190-N194 PolarHBondContact O-N 2.94Å; W190-N194 PolarHBondContact O-ND2 3.5Å
191I68Low56.1Low84 Ų84118.9 Ų118.943%0.43158%0.579SS.*Hα-helixtrans-61.9-48.8172.3-71.3166.6000109.6Q187 N189 S193 N194 L195Q187-I191 WeakPolarHBondContact O-CB 3.35Å; Q187-I191 VanDerWaalsContact O-CG1 3.23Å; Q187-I191 WeakPolarHBondContact O-CG1 3.19Å; Q187-I191 PolarHBondContact O-N 3.37Å; N189-I191 VanDerWaalsContact C-N 3.34Å; N189-I191 PolarHBondContact O-N 3.36Å; I191-S193 VanDerWaalsContact C-N 3.31Å; I191-S193 PolarHBondContact O-N 3.34Å; I191-N194 PolarHBondContact O-N 2.91Å; I191-L195 HydrophobicContact CB-CD1 4.31Å; I191-L195 HydrophobicContact CG1-CD1 4.25Å; I191-L195 HydrophobicContact CG2-CB 4.4Å; I191-L195 HydrophobicContact CG2-CD1 3.85Å; I191-L195 VanDerWaalsContact O-CB 3.3Å; I191-L195 WeakPolarHBondContact O-CB 3.09Å; I191-L195 PolarHBondContact O-N 3.37Å
192K61.6Low54.7Low102 Ų102118.7 Ų118.744%0.44359%0.588SS.*Hα-helixtrans-60.2-37.7177.9-81.8-171.9172.8-166.60113.5K188 N189 L196K188-K192 PolarHBondContact O-N 2.9Å; N189-K192 PolarHBondContact O-N 3.47Å; K192-L196 HydrophobicContact CG-CD1 4.46Å
193S60.6Low53.3Low88 Ų88117.7 Ų117.762%0.61559%0.594SS**Hα-helixtrans-78.8-25.3-179.161.80000114N189 W190 I191N189-S193 PolarHBondContact O-N 3.29Å; N189-S193 PolarHBondContact O-OG 3.36Å; W190-S193 WeakPolarHBondContact CA-OG 3.46Å; W190-S193 PolarHBondContact O-N 3.41Å; W190-S193 PolarHBondContact O-OG 3.46Å; W190-S193 VanDerWaalsContact O-OG 3.05Å; I191-S193 VanDerWaalsContact C-N 3.31Å; I191-S193 PolarHBondContact O-N 3.34Å
194N59.3Low51.8Low97 Ų97117.8 Ų117.852%0.51961%0.606SS.*Hα-helixtrans-110.1-16.6-174.2-66.6-75.2000114.6W190 I191W190-N194 VanDerWaalsContact CD1-ND2 3.28Å; W190-N194 PolarHBondContact NE1-ND2 3.17Å; W190-N194 WeakPolarHBondContact O-CB 3.38Å; W190-N194 PolarHBondContact O-N 2.94Å; W190-N194 PolarHBondContact O-ND2 3.5Å; I191-N194 PolarHBondContact O-N 2.91Å
195L56.2Low49.9Very low115 Ų115116.9 Ų116.960%0.60261%0.609SS**Hα-helixtrans-117-2.2-175.4-74.2155.4000114.7I191 P197I191-L195 HydrophobicContact CB-CD1 4.31Å; I191-L195 HydrophobicContact CG1-CD1 4.25Å; I191-L195 HydrophobicContact CG2-CB 4.4Å; I191-L195 HydrophobicContact CG2-CD1 3.85Å; I191-L195 VanDerWaalsContact O-CB 3.3Å; I191-L195 WeakPolarHBondContact O-CB 3.09Å; I191-L195 PolarHBondContact O-N 3.37Å; L195-P197 WeakPolarHBondContact O-CD 3.13Å
196L42.8Very low48.5Very low132 Ų132120.2 Ų120.269%0.69163%0.633SS**  trans-120.681.5172.3-73.2165.2000109.5K192K192-L196 HydrophobicContact CG-CD1 4.46Å
197P40.3Very low47.1Very low112 Ų112125.1 Ų125.173%0.72765%0.653SS**  trans-76.4140.2171.132-29.3000109.7L195L195-P197 WeakPolarHBondContact O-CD 3.13Å
198Y33.2Very low45.5Very low216 Ų216124.8 Ų124.885%0.84766%0.662SS**  trans74.799.8152.4-112.9-97.3000119.4
199S35.6Very low43.8Very low109 Ų109128.3 Ų128.376%0.76268%0.677SS**  -166.1112.3121.4-86.30000110.1
200S37.7Very low42.1Very low85 Ų85131 Ų13159%0.59470%0.699SS**  28.613612990000118
201D36.3Very low40.2Very low146 Ų146132.7 Ų132.778%0.78171%0.707SS**  cis-176154.929.8-105.9-29.2000111.3
202V34.4Very low38.3Very low130 Ų130136.4 Ų136.479%0.78873%0.728SS**  trans80.3117.1143.1179.70000121.3
203I29.6Very low37.2Very low150 Ų150139.9 Ų139.977%0.76974%0.743SS**  trans-67.3139.8166-62.6156.4000110.9
204L30.6Very low36.1Very low169 Ų169139.9 Ų139.989%0.88573%0.73SS**  trans-163.4135.9131.8-111135.8000114.7
205S27.7Very low34.9Very low82 Ų82142.4 Ų142.457%0.57374%0.743SS**  trans-59.2144.8177.2170.60000113.5
206D33.6Very low34.4Very low158 Ų158145.5 Ų145.585%0.84576%0.755SS**  -171.8148.9112.7-91.2-12.9000114.9
207K33.2Very low34.6Very low198 Ų198142.4 Ų142.486%0.86174%0.737SS**  trans-82.9172.8-161.5-100.8-173.5-177.7174.90114.5
208P30.5Very low34.8Very low119 Ų119139.4 Ų139.477%0.77372%0.716SS**  trans-95.3164.4-142.938.7-36.1000114.7
209K34.4Very low35.8Very low196 Ų196131.4 Ų131.485%0.85269%0.687SS**  trans-118133.7166.3-73.6-175.6179.8177.60111.9
210S27.7Very low36.5Very low101 Ų101130.5 Ų130.571%0.70667%0.674SS**  trans-38.6137.8175.3175.60000116.4
211Y30.3Very low37Very low197 Ų197127.5 Ų127.577%0.77365%0.65SS**  trans-149.595.3159.1-77.8-73.5000112.6
212D28.8Very low37.3Very low163 Ų163125.7 Ų125.787%0.87264%0.637SS**  trans-87.288.6156-79.7-40.8000108.9
213K37.7Very low37.5Very low175 Ų175128.2 Ų128.276%0.76164%0.64SS**  trans-161.67.6163.6-141.8174.2173.8175.40117.8
214Y37.7Very low37.9Very low87 Ų87123.7 Ų123.734%0.34162%0.617SS.*  trans-108.760.5-176.9-82.7-78.8000113.3I80 E85I80-Y214 HydrophobicContact CD1-CE1 4.49Å; E85-Y214 PolarHBondContact OE2-OH 3.37Å
215N35.3Very low38Very low150 Ų150122.9 Ų122.980%0.80261%0.613SS**SBendtrans-114.66.8169.8-82.1-21.8000113.5
216Q45Very low38.6Very low181 Ų181125 Ų12585%0.84661%0.614SS**SBendtrans-104.3-9.2-176.7-107.3163.2-19.300115.4
217E46.2Very low38.8Very low66 Ų66123.2 Ų123.231%0.30860%0.602SS.*SBendtrans-116.623.4179.9-63.7-168.6155.500113.3I80I80-E217 VanDerWaalsContact CD1-OE2 3.28Å; I80-E217 WeakPolarHBondContact CD1-OE2 3.31Å
218T45Very low39.1Very low49 Ų49119.1 Ų119.130%0.30159%0.588SS.*  trans-97.1124.4170.1-60.40000108.7I27 F77I27-T218 HydrophobicContact CB-CG2 4.11Å; I27-T218 HydrophobicContact CD1-CG2 4.29Å; I27-T218 HydrophobicContact CG1-CG2 4.42Å; F77-T218 HydrophobicContact CE2-CG2 3.49Å; F77-T218 VanDerWaalsContact CE2-CG2 3.49Å; F77-T218 HydrophobicContact CZ-CG2 3.37Å
219M54.5Low39.6Very low49 Ų49119.1 Ų119.124%0.24158%0.577CS.*EExtended strand (participates in β ladder)trans-127120.9-179.9-68.3-173.570.800111.5F77 K118 F221F77-M219 WeakPolarHBondContact CD2-O 3.23Å; K118-M219 HydrophobicContact CD-CE 4.22Å; K118-M219 HydrophobicContact CD-SD 3.35Å; K118-M219 WeakPolarHBondContact CD-SD 3.28Å; K118-M219 WeakPolarHBondContact CE-SD 3.29Å; K118-M219 HydrophobicContact CG-CE 4.3Å; K118-M219 HydrophobicContact CG-SD 3.73Å; K118-M219 PolarHBondContact NZ-SD 3.45Å; K118-M219 VanDerWaalsContact NZ-SD 3.41Å; M219-F221 HydrophobicContact CB-CD2 4.44Å; M219-F221 HydrophobicContact CB-CE2 3.64Å; M219-F221 HydrophobicContact CB-CZ 3.83Å; M219-F221 HydrophobicContact CE-CE1 4.22Å; M219-F221 HydrophobicContact CE-CZ 4.09Å; M219-F221 HydrophobicContact SD-CZ 4.35Å
220D49.6Very low40Very low89 Ų89114.3 Ų114.348%0.47656%0.56SS.*EExtended strand (participates in β ladder)trans-92.9126169.1-174.6-15.3000108.5L25 H222L25-D220 WeakPolarHBondContact CD1-OD1 3.38Å; L25-D220 WeakPolarHBondContact CD1-OD2 3.36Å; L25-D220 VanDerWaalsContact CD2-OD1 3.22Å; L25-D220 WeakPolarHBondContact CD2-OD1 3.3Å; D220-H222 WeakPolarHBondContact OD1-CB 3.25Å; D220-H222 PolarHBondContact OD1-N 3.36Å
221F48.6Very low40.8Very low22 Ų22115.1 Ų115.110%0.09655%0.55CS.*  trans-100.111.3-175.4-70-88.1000113.8F78 C121 M219 H223 L224F78-F221 AromaticContact CD1-CE2 3.99Å; F78-F221 HydrophobicContact CD1-CE2 3.99Å; F78-F221 HydrophobicContact CE1-CD2 4.2Å; F78-F221 AromaticContact CE1-CE2 3.23Å; F78-F221 HydrophobicContact CE1-CE2 3.23Å; F78-F221 AromaticContact CE1-CZ 3.66Å; F78-F221 HydrophobicContact CE1-CZ 3.66Å; F78-F221 AromaticContact CZ-CE2 3.69Å; F78-F221 HydrophobicContact CZ-CE2 3.69Å; F78-F221 AromaticContact CZ-CZ 3.78Å; F78-F221 HydrophobicContact CZ-CZ 3.78Å; C121-F221 HydrophobicContact CB-CD1 4.26Å; C121-F221 HydrophobicContact CB-CE1 3.75Å; C121-F221 HydrophobicContact CB-CZ 4.1Å; M219-F221 HydrophobicContact CB-CD2 4.44Å; M219-F221 HydrophobicContact CB-CE2 3.64Å; M219-F221 HydrophobicContact CB-CZ 3.83Å; M219-F221 HydrophobicContact CE-CE1 4.22Å; M219-F221 HydrophobicContact CE-CZ 4.09Å; M219-F221 HydrophobicContact SD-CZ 4.35Å; F221-H223 PolarHBondContact O-N 3.48Å; F221-H223 VanDerWaalsContact O-N 3.07Å; F221-L224 HydrophobicContact CD1-CD1 3.79Å; F221-L224 HydrophobicContact CE1-CD1 4.28Å; F221-L224 PolarHBondContact O-N 3.16Å
222H43.5Very low41.5Very low108 Ų108109.3 Ų109.350%0.553%0.534SS..THydrogen-bonded Turntrans-70-4-177.4-138.4-35000114.7K24 L25 D220K24-H222 WeakPolarHBondContact CE-CD2 3.32Å; K24-H222 WeakPolarHBondContact CE-NE2 3.31Å; K24-H222 PolarHBondContact NZ-CD2 2.88Å; K24-H222 PolarHBondContact NZ-NE2 3.03Å; L25-H222 HydrophobicContact CD1-CB 4.18Å; D220-H222 WeakPolarHBondContact OD1-CB 3.25Å; D220-H222 PolarHBondContact OD1-N 3.36Å
223H38.7Very low42.5Very low184 Ų184105.2 Ų105.285%0.85251%0.508SS*.THydrogen-bonded Turntrans-95.21.9169.3-98.1-53.6000114.9F221F221-H223 PolarHBondContact O-N 3.48Å; F221-H223 VanDerWaalsContact O-N 3.07Å
224L37Very low42.9Very low54 Ų5499.3 Ų99.328%0.28349%0.487SS..  trans-121.523.6-172.6-64.4168.5000113.5Y125 F221Y125-L224 HydrophobicContact CD1-CD2 3.67Å; Y125-L224 HydrophobicContact CD2-CB 3.77Å; Y125-L224 HydrophobicContact CD2-CD2 4.19Å; Y125-L224 WeakPolarHBondContact CD2-O 3.5Å; Y125-L224 HydrophobicContact CE1-CD2 3.36Å; Y125-L224 VanDerWaalsContact CE2-C 3.41Å; Y125-L224 HydrophobicContact CE2-CB 3.84Å; Y125-L224 HydrophobicContact CE2-CD2 3.9Å; Y125-L224 WeakPolarHBondContact CE2-O 3.32Å; Y125-L224 HydrophobicContact CG-CB 4.1Å; Y125-L224 HydrophobicContact CG-CD2 4.03Å; Y125-L224 VanDerWaalsContact CZ-CD2 3.45Å; F221-L224 HydrophobicContact CD1-CD1 3.79Å; F221-L224 HydrophobicContact CE1-CD1 4.28Å; F221-L224 PolarHBondContact O-N 3.16Å
225L34.1Very low43.4Very low153 Ų153100.5 Ų100.580%0.80150%0.501SS*.  trans-138.40167.9-77.9175000110.7

Retrieved 225 of 225 residues in 79.3 ms (Link to these results)

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