A0A077Z4S4_TRITR Loading...

Enoyl-[acyl-carrier-protein] reductase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z4S4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 356 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
1M36.8Very low37.9Very low233 Ų233169.7 Ų169.7100%1.14885%0.849SS**  0104.50-118.4180-175.900107.6
2H37.4Very low37.9Very low186 Ų186164.3 Ų164.386%0.86183%0.834SS**  trans178.584.8157.8-88.6-16.2000108.5
3V37.3Very low38Very low138 Ų138163.1 Ų163.184%0.83683%0.831SS**  trans-85.2106.2164.6177.10000105.8L5V3-L5 PolarHBondContact O-N 2.83Å
4K39.8Very low38.1Very low193 Ų193161.1 Ų161.184%0.83982%0.822SS**  trans-78.1115.6173.2-82.3-177.1175.1179.10108.4
5L40.9Very low38.7Very low154 Ų154157.7 Ų157.781%0.80681%0.806SS**  trans-56.5134179.3-78.590.5000111.4V3 N7V3-L5 PolarHBondContact O-N 2.83Å; L5-N7 PolarHBondContact O-N 3.08Å
6L39.1Very low39.4Very low168 Ų168156.8 Ų156.888%0.8880%0.802SS**  trans-58.3116.6161.7-9979000108.7S8L6-S8 PolarHBondContact O-N 3.36Å
7N37Very low40.6Very low148 Ų148156.8 Ų156.879%0.79180%0.796SS**  trans-65.8100.8162.1-83.7-18.6000108.3L5 F9L5-N7 PolarHBondContact O-N 3.08Å; N7-F9 PolarHBondContact O-N 3.38Å
8S38.4Very low42.2Very low101 Ų101160 Ų16071%0.70680%0.797SS**  trans-63.3110.2161.3470000108.1L6 V10L6-S8 PolarHBondContact O-N 3.36Å; S8-V10 VanDerWaalsContact C-N 3.27Å; S8-V10 PolarHBondContact O-N 2.75Å
9F37.9Very low44.3Very low199 Ų199157.1 Ų157.187%0.87379%0.789SS**  trans-63.891.4165.4-82.3-93.5000108.4N7 R11N7-F9 PolarHBondContact O-N 3.38Å; F9-R11 VanDerWaalsContact C-N 3.33Å; F9-R11 PolarHBondContact O-N 3.15Å
10V37.1Very low46.6Very low125 Ų125151.5 Ų151.576%0.75876%0.76SS**  trans-65.1100.6160.41790000105.8S8 P12S8-V10 VanDerWaalsContact C-N 3.27Å; S8-V10 PolarHBondContact O-N 2.75Å; V10-P12 WeakPolarHBondContact O-CD 3.47Å
11R35.5Very low48.9Very low222 Ų222147.8 Ų147.884%0.83875%0.746SS**  trans-58.7123.4167.9-73.3-173.6178-172.7-0.1107.1F9 N13F9-R11 VanDerWaalsContact C-N 3.33Å; F9-R11 PolarHBondContact O-N 3.15Å; R11-N13 PolarHBondContact O-N 2.9Å
12P37.4Very low51.7Low104 Ų104136.7 Ų136.768%0.67569%0.691SS**  trans-59.4130.2171.4-15.327.7000107.6V10 I14V10-P12 WeakPolarHBondContact O-CD 3.47Å; P12-I14 PolarHBondContact O-N 3.11Å
13N39.4Very low54.6Low149 Ų149130.5 Ų130.580%0.79766%0.663SS**  trans-59.892.3161.5-89.1-22.7000106.7R11 N15R11-N13 PolarHBondContact O-N 2.9Å; N13-N15 PolarHBondContact O-N 3.46Å
14I39.7Very low57.5Low136 Ų136124.3 Ų124.370%0.69762%0.624SS**  trans-7080164.7-56.6171.6000104.4P12 L16P12-I14 PolarHBondContact O-N 3.11Å; I14-L16 HydrophobicContact CG2-CD1 3.99Å; I14-L16 PolarHBondContact O-N 3.21Å
15N47Very low60.3Low110 Ų110115.1 Ų115.159%0.58858%0.584SS**  trans-62.793.4161.2-83.8-12.3000105N13 F17N13-N15 PolarHBondContact O-N 3.46Å; N15-F17 WeakPolarHBondContact O-CD2 3.17Å; N15-F17 PolarHBondContact O-N 3.11Å
16L50.3Low63Low142 Ų142109.1 Ų109.174%0.74355%0.552SS**  trans-55.5101.2159.8-92.393.5000105.3I14 R18I14-L16 HydrophobicContact CG2-CD1 3.99Å; I14-L16 PolarHBondContact O-N 3.21Å; L16-R18 PolarHBondContact O-N 3.29Å
17F59.3Low65.8Low158 Ų158101.2 Ų101.269%0.69351%0.511SS*.  trans-61.989.8168.5-66.5-81.3000106.5N15 T19 P46N15-F17 WeakPolarHBondContact O-CD2 3.17Å; N15-F17 PolarHBondContact O-N 3.11Å; F17-T19 PolarHBondContact O-N 2.83Å; F17-T19 VanDerWaalsContact O-N 3.08Å; F17-P46 HydrophobicContact CD1-CB 4.35Å; F17-P46 HydrophobicContact CD1-CG 3.97Å; F17-P46 HydrophobicContact CE1-CB 4.18Å; F17-P46 HydrophobicContact CE1-CG 4.12Å
18R68.7Low68.7Low214 Ų214101.4 Ų101.481%0.80850%0.504SS*.  trans-65.8111168.2-78.1-172.8174.6-174.7-0.7105.8L16 I20L16-R18 PolarHBondContact O-N 3.29Å; R18-I20 PolarHBondContact O-N 3.13Å; R18-I20 VanDerWaalsContact O-N 3.08Å
19T83.5Confident71.5Confident105 Ų105102.7 Ų102.764%0.64450%0.499SS*.  trans-57112.7168.3-55.50000108.1F17 T43F17-T19 PolarHBondContact O-N 2.83Å; F17-T19 VanDerWaalsContact O-N 3.08Å; T19-T43 HydrophobicContact CG2-CG2 3.35Å
20I90.1Very high74.3Confident44 Ų4496.8 Ų96.823%0.22647%0.474CS..EExtended strand (participates in β ladder)trans-90.6124175.2-64.1171.5000107.6R18 L44 D120R18-I20 PolarHBondContact O-N 3.13Å; R18-I20 VanDerWaalsContact O-N 3.08Å; I20-L44 HydrophobicContact CB-CB 4.47Å; I20-L44 HydrophobicContact CG2-CD1 4.06Å; I20-L44 PolarHBondContact O-N 3.05Å; I20-D120 HydrophobicContact CG2-CB 4.31Å
21V94.6Very high77.1Confident74 Ų7492 Ų9245%0.44845%0.45SS..EExtended strand (participates in β ladder)trans-102.7103.1172.1-177.50000107.6N41V21-N41 HydrophobicContact CG1-CB 3.79Å
22A96.1Very high80Confident0 Ų085.1 Ų85.10%043%0.43CS..EExtended strand (participates in β ladder)trans-77.7141.6174.400000110N41 Q42 L44 D120A22-N41 CarbonylContact O-C 3.53Å; A22-N41 VanDerWaalsContact O-CA 3.29Å; A22-N41 WeakPolarHBondContact O-CA 3.4Å; A22-Q42 PolarHBondContact N-O 2.74Å; A22-Q42 PolarHBondContact O-N 3.29Å; A22-L44 HydrophobicContact CB-CD1 4.17Å; A22-L44 HydrophobicContact CB-CD2 4.27Å; A22-L44 HydrophobicContact CB-CG 4.09Å; A22-D120 HydrophobicContact CB-CB 4.01Å
23Q97.7Very high82.7Confident57 Ų5780.2 Ų80.227%0.26640%0.398SS..EExtended strand (participates in β ladder)trans-94.5140163.4-45.3-162.3-78.300110.4L39 T40 N41 R118 T119 F330Q23-L39 HydrophobicContact CB-CD1 4Å; Q23-T40 CarbonylContact C-O 3.55Å; Q23-T40 WeakPolarHBondContact CA-O 3.42Å; Q23-N41 PolarHBondContact NE2-OD1 2.91Å; Q23-R118 CarbonylContact O-C 3.55Å; Q23-R118 VanDerWaalsContact O-CA 3.24Å; Q23-R118 WeakPolarHBondContact O-CA 3.39Å; Q23-T119 HydrophobicContact CB-CG2 4.07Å; Q23-T119 HydrophobicContact CG-CG2 4.47Å; Q23-T119 PolarHBondContact N-OG1 2.87Å; Q23-T119 PolarHBondContact O-N 3.37Å; Q23-T119 PolarHBondContact O-OG1 3.42Å; Q23-F330 HydrophobicContact CB-CE1 4.02Å
24Q97.8Very high85.2Confident7 Ų775 Ų753%0.03337%0.372CS..EExtended strand (participates in β ladder)trans-146155.6-17966.4-172.813.900113.1E26 L39 T40 V82 W117 R118Q24-E26 PolarHBondContact NE2-OE2 2.86Å; Q24-L39 CarbonylContact O-C 3.59Å; Q24-L39 WeakPolarHBondContact O-CA 3.39Å; Q24-T40 VanDerWaalsContact CG-OG1 3.29Å; Q24-T40 WeakPolarHBondContact CG-OG1 3.14Å; Q24-T40 PolarHBondContact N-O 3.07Å; Q24-T40 PolarHBondContact O-N 3.35Å; Q24-V82 HydrophobicContact CB-CG1 4.18Å; Q24-V82 HydrophobicContact CB-CG2 4.17Å; Q24-V82 VanDerWaalsContact CD-CG2 3.46Å; Q24-V82 HydrophobicContact CG-CG2 4.06Å; Q24-W117 CarbonylContact C-O 3.59Å; Q24-W117 WeakPolarHBondContact CA-O 3.39Å; Q24-R118 HydrophobicContact CB-CB 3.56Å
25L98.2Very high87.8Confident0 Ų071.9 Ų71.90%036%0.363CS..EExtended strand (participates in β ladder)trans-97.9102.4175.1-56.9-176000109.6V37 R38 L39 V82 G83 W117 F330 Y333 L350L25-V37 HydrophobicContact CB-CG1 3.7Å; L25-V37 HydrophobicContact CG-CG1 4.5Å; L25-R38 WeakPolarHBondContact CA-O 3.01Å; L25-L39 HydrophobicContact CD2-CB 4.19Å; L25-L39 HydrophobicContact CD2-CD1 3.78Å; L25-V82 WeakPolarHBondContact O-CA 3.29Å; L25-G83 PolarHBondContact O-N 3.21Å; L25-W117 HydrophobicContact CB-CB 3.88Å; L25-W117 HydrophobicContact CB-CE3 4.13Å; L25-W117 HydrophobicContact CD1-CB 4.01Å; L25-W117 HydrophobicContact CD1-CD2 4.38Å; L25-W117 HydrophobicContact CD1-CE3 4.04Å; L25-W117 HydrophobicContact CD1-CG 4.41Å; L25-W117 HydrophobicContact CG-CB 4.1Å; L25-W117 PolarHBondContact N-O 2.85Å; L25-F330 HydrophobicContact CD1-CD2 4.43Å; L25-F330 HydrophobicContact CD1-CE2 3.8Å; L25-F330 HydrophobicContact CD2-CE2 3.95Å; L25-F330 HydrophobicContact CD2-CZ 3.86Å; L25-F330 HydrophobicContact CG-CE2 3.53Å; L25-F330 HydrophobicContact CG-CZ 3.83Å; L25-Y333 VanDerWaalsContact CD1-CB 3.45Å; L25-Y333 HydrophobicContact CD1-CD1 4.14Å; L25-Y333 HydrophobicContact CD1-CD2 3.68Å; L25-Y333 HydrophobicContact CD1-CE2 4.45Å; L25-Y333 HydrophobicContact CD1-CG 3.49Å; L25-Y333 VanDerWaalsContact CD1-CG 3.49Å; L25-Y333 HydrophobicContact CD2-CD1 3.52Å; L25-Y333 HydrophobicContact CD2-CD2 3.94Å; L25-Y333 HydrophobicContact CD2-CE1 3.59Å; L25-Y333 HydrophobicContact CD2-CE2 4.01Å; L25-Y333 HydrophobicContact CD2-CG 3.7Å; L25-Y333 HydrophobicContact CG-CD2 4.42Å; L25-Y333 HydrophobicContact CG-CG 4.26Å; L25-L350 HydrophobicContact CD1-CD1 4.06Å
26E97.9Very high90.2Very high28 Ų2867.5 Ų67.513%0.13134%0.339CS..EExtended strand (participates in β ladder)trans-106.3146.8-173.9-174.4-179.394.400111.5Q24 K28 V37 R38 T40 P80 A81Q24-E26 PolarHBondContact NE2-OE2 2.86Å; E26-K28 WeakPolarHBondContact OE1-CE 3.36Å; E26-V37 CarbonylContact O-C 3.46Å; E26-V37 WeakPolarHBondContact O-CA 3.48Å; E26-R38 PolarHBondContact N-O 3.38Å; E26-R38 PolarHBondContact O-N 2.92Å; E26-T40 HydrophobicContact CB-CG2 4.08Å; E26-P80 HydrophobicContact CG-CB 3.84Å; E26-A81 CarbonylContact C-O 3.56Å; E26-A81 VanDerWaalsContact CA-O 3.26Å; E26-A81 WeakPolarHBondContact CA-O 3.31Å
27Y98Very high92.4Very high2 Ų260.8 Ų60.81%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-127.8134.9167.760-77.1000109.5I69 L79 A81Y27-I69 HydrophobicContact CD1-CG1 3.94Å; Y27-I69 HydrophobicContact CD2-CG2 4.26Å; Y27-I69 HydrophobicContact CE1-CG1 3.81Å; Y27-I69 HydrophobicContact CE2-CG1 4.39Å; Y27-I69 HydrophobicContact CG-CG1 4.31Å; Y27-I69 HydrophobicContact CG-CG2 4.21Å; Y27-L79 HydrophobicContact CD2-CD2 3.76Å; Y27-L79 HydrophobicContact CE2-CD2 3.46Å; Y27-L79 VanDerWaalsContact CE2-CD2 3.46Å; Y27-A81 HydrophobicContact CD1-CB 4.39Å; Y27-A81 WeakPolarHBondContact CD1-O 3.26Å; Y27-A81 HydrophobicContact CE1-CB 3.68Å; Y27-A81 WeakPolarHBondContact CE1-O 3.47Å; Y27-A81 HydrophobicContact CE2-CB 4.02Å; Y27-A81 VanDerWaalsContact CZ-CB 3.46Å; Y27-A81 PolarHBondContact N-O 3.16Å; Y27-A81 PolarHBondContact O-N 3.07Å; Y27-A81 WeakPolarHBondContact OH-CB 3.38Å
28K97.7Very high94.3Very high152 Ų15259.6 Ų59.666%0.66130%0.295SS*.SBendtrans-100.4-13.7-175.7-55.1-167.9179.4-178.50113.5E26 L79 P80E26-K28 WeakPolarHBondContact OE1-CE 3.36Å; K28-L79 WeakPolarHBondContact O-CD1 3.4Å; K28-P80 HydrophobicContact CG-CB 4.15Å
29E97.5Very high95.7Very high128 Ų12852.7 Ų52.760%0.59827%0.274SS*.SBendtrans-145.7159.7178.864.2-172.2173.200109.4V36E29-V36 HydrophobicContact CG-CG1 3.99Å
30H97.5Very high96.3Very high76 Ų7649.2 Ų49.235%0.35225%0.253SS..  trans-76.2142.6171.8-67.9-56.9000110.6I69 G71H30-I69 VanDerWaalsContact CA-O 3.24Å; H30-I69 WeakPolarHBondContact CA-O 3.34Å; H30-I69 PolarHBondContact ND1-O 2.94Å; H30-I69 VanDerWaalsContact ND1-O 3.13Å; H30-G71 WeakPolarHBondContact ND1-CA 3.24Å
31G96.1Very high96.7Very high23 Ų2352.4 Ų52.424%0.23727%0.27CS..SBendtrans172-166.5177.900000113.4P33 I69 Q70G31-P33 WeakPolarHBondContact O-CD 3.3Å; G31-I69 PolarHBondContact N-O 2.81Å; G31-Q70 WeakPolarHBondContact O-CA 3.44Å; G31-Q70 WeakPolarHBondContact O-CG 3.44Å
32D94.9Very high96.7Very high79 Ų7952.4 Ų52.442%0.42227%0.266SS..  trans-64.7120.3174.5-179.540.1000110.2P34 S35 V36D32-P34 WeakPolarHBondContact OD1-CD 3.47Å; D32-S35 WeakPolarHBondContact O-CA 3.2Å; D32-S35 VanDerWaalsContact O-CB 3.32Å; D32-S35 WeakPolarHBondContact O-CB 3.39Å; D32-S35 PolarHBondContact O-N 3.28Å; D32-S35 PolarHBondContact OD2-OG 3.5Å; D32-V36 PolarHBondContact O-N 2.85Å; D32-V36 VanDerWaalsContact O-N 3.1Å
33P94.3Very high96.8Very high0 Ų056.1 Ų56.10%029%0.288CS..Hα-helixtrans-57.3-41.7-167.2-29.138.5000116G31 S35 V36 V37 I66 I69 Q70 I337G31-P33 WeakPolarHBondContact O-CD 3.3Å; P33-S35 PolarHBondContact O-N 3.21Å; P33-V36 PolarHBondContact O-N 3.17Å; P33-V37 HydrophobicContact CB-CG2 4.35Å; P33-V37 VanDerWaalsContact O-CB 3.27Å; P33-V37 WeakPolarHBondContact O-CB 3.38Å; P33-V37 VanDerWaalsContact O-CG2 3.25Å; P33-V37 WeakPolarHBondContact O-CG2 3.44Å; P33-V37 PolarHBondContact O-N 3.3Å; P33-I66 HydrophobicContact CB-CD1 4.29Å; P33-I66 HydrophobicContact CG-CD1 4.2Å; P33-I66 HydrophobicContact CG-CG2 4.02Å; P33-I69 HydrophobicContact CB-CB 4.35Å; P33-I69 HydrophobicContact CB-CD1 4.2Å; P33-I69 HydrophobicContact CB-CG2 3.9Å; P33-I69 HydrophobicContact CG-CB 3.95Å; P33-I69 HydrophobicContact CG-CD1 4.48Å; P33-I69 HydrophobicContact CG-CG2 3.78Å; P33-Q70 HydrophobicContact CG-CG 4.16Å; P33-I337 HydrophobicContact CB-CG2 3.49Å; P33-I337 VanDerWaalsContact CB-CG2 3.49Å
34P91.4Very high96.7Very high41 Ų4154.2 Ų54.227%0.26628%0.28SS..Hα-helixtrans-57.2-32.5172.3-24.735.3000113.2D32 I337 E338D32-P34 WeakPolarHBondContact OD1-CD 3.47Å; P34-I337 HydrophobicContact CG-CG2 3.99Å; P34-E338 HydrophobicContact CG-CB 4.33Å
35S94.3Very high96.5Very high70 Ų7060.2 Ų60.249%0.4931%0.308SS..Hα-helixtrans-82-28.8-177-60.10000113.4D32 P33 R38D32-S35 WeakPolarHBondContact O-CA 3.2Å; D32-S35 VanDerWaalsContact O-CB 3.32Å; D32-S35 WeakPolarHBondContact O-CB 3.39Å; D32-S35 PolarHBondContact O-N 3.28Å; D32-S35 PolarHBondContact OD2-OG 3.5Å; P33-S35 PolarHBondContact O-N 3.21Å; S35-R38 VanDerWaalsContact C-NH1 3.33Å; S35-R38 PolarHBondContact O-NH1 3.45Å; S35-R38 PolarHBondContact O-NH2 2.76Å
36V97.4Very high96.4Very high17 Ų1763.6 Ų63.610%0.10333%0.33CS..Hα-helixtrans-109.1-21.9-174.6-590000115.1E29 D32 P33 I69E29-V36 HydrophobicContact CG-CG1 3.99Å; D32-V36 PolarHBondContact O-N 2.85Å; D32-V36 VanDerWaalsContact O-N 3.1Å; P33-V36 PolarHBondContact O-N 3.17Å; V36-I69 HydrophobicContact CG2-CG2 3.49Å; V36-I69 VanDerWaalsContact CG2-CG2 3.49Å
37V98.2Very high96.3Very high2 Ų263.5 Ų63.51%0.01233%0.33CS..  trans-80.3130.1-178.4177.50000110.8L25 E26 P33 I69 Y333 I337L25-V37 HydrophobicContact CB-CG1 3.7Å; L25-V37 HydrophobicContact CG-CG1 4.5Å; E26-V37 CarbonylContact O-C 3.46Å; E26-V37 WeakPolarHBondContact O-CA 3.48Å; P33-V37 HydrophobicContact CB-CG2 4.35Å; P33-V37 VanDerWaalsContact O-CB 3.27Å; P33-V37 WeakPolarHBondContact O-CB 3.38Å; P33-V37 VanDerWaalsContact O-CG2 3.25Å; P33-V37 WeakPolarHBondContact O-CG2 3.44Å; P33-V37 PolarHBondContact O-N 3.3Å; V37-I69 HydrophobicContact CG2-CD1 3.9Å; V37-I69 HydrophobicContact CG2-CG2 4.15Å; V37-Y333 HydrophobicContact CG1-CD2 4.35Å; V37-Y333 HydrophobicContact CG1-CE2 3.97Å; V37-I337 HydrophobicContact CB-CD1 4.18Å; V37-I337 HydrophobicContact CG1-CD1 3.98Å; V37-I337 HydrophobicContact CG2-CD1 4.27Å
38R97.8Very high96.3Very high132 Ų13272 Ų7250%0.49836%0.362SS..EExtended strand (participates in β ladder)trans-132.1141.5-179.1-63.6-64.6-179.4-82.2-5.9111.4L25 E26 S35 T40L25-R38 WeakPolarHBondContact CA-O 3.01Å; E26-R38 PolarHBondContact N-O 3.38Å; E26-R38 PolarHBondContact O-N 2.92Å; S35-R38 VanDerWaalsContact C-NH1 3.33Å; S35-R38 PolarHBondContact O-NH1 3.45Å; S35-R38 PolarHBondContact O-NH2 2.76Å; R38-T40 PolarHBondContact O-N 2.87Å
39L97.8Very high96.4Very high69 Ų6966.4 Ų66.436%0.36134%0.344SS..EExtended strand (participates in β ladder)trans-70.3121.6167.3-174.467.4000109.5Q23 Q24 L25 F330 Y333Q23-L39 HydrophobicContact CB-CD1 4Å; Q24-L39 CarbonylContact O-C 3.59Å; Q24-L39 WeakPolarHBondContact O-CA 3.39Å; L25-L39 HydrophobicContact CD2-CB 4.19Å; L25-L39 HydrophobicContact CD2-CD1 3.78Å; L39-F330 HydrophobicContact CD1-CE1 3.58Å; L39-F330 HydrophobicContact CD1-CZ 3.69Å; L39-Y333 HydrophobicContact CB-CE1 4.16Å; L39-Y333 PolarHBondContact N-OH 3.45Å
40T97.8Very high96.4Very high33 Ų3364.8 Ų64.820%0.20234%0.339CS..EExtended strand (participates in β ladder)trans-126.9160.1176.1650000110.4Q23 Q24 E26 R38Q23-T40 CarbonylContact C-O 3.55Å; Q23-T40 WeakPolarHBondContact CA-O 3.42Å; Q24-T40 VanDerWaalsContact CG-OG1 3.29Å; Q24-T40 WeakPolarHBondContact CG-OG1 3.14Å; Q24-T40 PolarHBondContact N-O 3.07Å; Q24-T40 PolarHBondContact O-N 3.35Å; E26-T40 HydrophobicContact CB-CG2 4.08Å; R38-T40 PolarHBondContact O-N 2.87Å
41N97.3Very high96.5Very high110 Ų11063.2 Ų63.259%0.58833%0.332SS*.EExtended strand (participates in β ladder)trans-106139.6173.5-68.1-29.5000109.5V21 A22 Q23V21-N41 HydrophobicContact CG1-CB 3.79Å; A22-N41 CarbonylContact O-C 3.53Å; A22-N41 VanDerWaalsContact O-CA 3.29Å; A22-N41 WeakPolarHBondContact O-CA 3.4Å; Q23-N41 PolarHBondContact NE2-OD1 2.91Å
42Q95.7Very high96.6Very high75 Ų7562.1 Ų62.135%0.3532%0.321SS..EExtended strand (participates in β ladder)trans-130.3122.9176.9-177.3179.838.400109.8A22 L44A22-Q42 PolarHBondContact N-O 2.74Å; A22-Q42 PolarHBondContact O-N 3.29Å; Q42-L44 HydrophobicContact CG-CD2 4.44Å; Q42-L44 PolarHBondContact O-N 2.97Å
43T96.7Very high96.7Very high78 Ų7859.8 Ų59.848%0.47931%0.306SS..EExtended strand (participates in β ladder)trans-76.3120.4170.7-60.90000110T19T19-T43 HydrophobicContact CG2-CG2 3.35Å
44L95.6Very high96.9Very high17 Ų1760 Ų609%0.08931%0.307CS..EExtended strand (participates in β ladder)trans-82.8138.7178.1-60.5-175.3000111.1I20 A22 Q42 D120 I122I20-L44 HydrophobicContact CB-CB 4.47Å; I20-L44 HydrophobicContact CG2-CD1 4.06Å; I20-L44 PolarHBondContact O-N 3.05Å; A22-L44 HydrophobicContact CB-CD1 4.17Å; A22-L44 HydrophobicContact CB-CD2 4.27Å; A22-L44 HydrophobicContact CB-CG 4.09Å; Q42-L44 HydrophobicContact CG-CD2 4.44Å; Q42-L44 PolarHBondContact O-N 2.97Å; L44-D120 HydrophobicContact CD1-CB 3.76Å; L44-I122 HydrophobicContact CB-CD1 4.17Å
45Q94.6Very high97.2Very high133 Ų13360.8 Ų60.862%0.62131%0.307SS*.PPolyproline II helixtrans-78.4167174.4-61.2-58.6-40.700111.1R53 I122Q45-R53 PolarHBondContact O-NH2 3.28Å; Q45-R53 VanDerWaalsContact O-NH2 3.11Å; Q45-I122 WeakPolarHBondContact O-CD1 3.21Å
46P95.5Very high97.4Very high70 Ų7057.6 Ų57.646%0.45528%0.284SS..PPolyproline II helixtrans-57.7144.9163.7-23.735.4000111.4F17F17-P46 HydrophobicContact CD1-CB 4.35Å; F17-P46 HydrophobicContact CD1-CG 3.97Å; F17-P46 HydrophobicContact CE1-CB 4.18Å; F17-P46 HydrophobicContact CE1-CG 4.12Å
47I97Very high97.5Very high27 Ų2757.7 Ų57.714%0.13828%0.283CS..PPolyproline II helixtrans-73.2150.3178.263.3171.9000111.6E51 R53 E93 V94 I122I47-E51 HydrophobicContact CB-CB 4.15Å; I47-R53 HydrophobicContact CG2-CB 3.75Å; I47-E93 HydrophobicContact CD1-CB 3.94Å; I47-E93 HydrophobicContact CD1-CG 3.56Å; I47-E93 HydrophobicContact CG1-CG 4.36Å; I47-V94 VanDerWaalsContact CD1-C 3.46Å; I47-I122 HydrophobicContact CG2-CB 4.47Å; I47-I122 HydrophobicContact CG2-CD1 3.81Å; I47-I122 HydrophobicContact CG2-CG1 3.82Å; I47-I122 HydrophobicContact CG2-CG2 3.86Å
48R97.8Very high97.5Very high180 Ų18057.6 Ų57.668%0.67928%0.283SS*.PPolyproline II helixtrans-83.1171.5169.3-57.317670.3101.61.1111.4D50 E51R48-D50 VanDerWaalsContact C-N 3.27Å; R48-D50 PolarHBondContact O-N 3.45Å; R48-E51 HydrophobicContact CB-CB 4.39Å; R48-E51 HydrophobicContact CB-CG 3.99Å; R48-E51 WeakPolarHBondContact CB-OE2 3.45Å; R48-E51 WeakPolarHBondContact CD-OE1 3.27Å; R48-E51 WeakPolarHBondContact CG-OE2 3.21Å; R48-E51 PolarHBondContact N-OE2 3.09Å; R48-E51 PolarHBondContact O-N 2.89Å; R48-E51 VanDerWaalsContact O-N 3.15Å
49A98.3Very high97.5Very high34 Ų3451.3 Ų51.328%0.28126%0.259SS..THydrogen-bonded Turntrans-58.1-32.6-177.200000114.5G95 S96 N97A49-G95 CarbonylContact O-C 3.04Å; A49-G95 WeakPolarHBondContact O-CA 3.27Å; A49-S96 WeakPolarHBondContact CB-OG 3.32Å; A49-S96 PolarHBondContact O-N 2.8Å; A49-N97 WeakPolarHBondContact O-CB 3.46Å; A49-N97 PolarHBondContact O-N 3.27Å
50D98.5Very high97.4Very high94 Ų9448 Ų4850%0.50324%0.242SC..THydrogen-bonded Turntrans-102.610.2-178.2-48.9-61.7000113.1R48 N97 R125R48-D50 VanDerWaalsContact C-N 3.27Å; R48-D50 PolarHBondContact O-N 3.45Å; D50-N97 WeakPolarHBondContact OD1-CB 3.44Å; D50-N97 PolarHBondContact OD1-ND2 3.36Å; D50-R125 WeakPolarHBondContact O-CB 3.48Å; D50-R125 PolarHBondContact O-N 3.18Å
51E98.6Very high97.4Very high44 Ų4446.5 Ų46.521%0.20623%0.233CC..EExtended strand (participates in β ladder)trans-106.1162.3-175-72.2177.1168.800112.1I47 R48 G95 I122 A123I47-E51 HydrophobicContact CB-CB 4.15Å; R48-E51 HydrophobicContact CB-CB 4.39Å; R48-E51 HydrophobicContact CB-CG 3.99Å; R48-E51 WeakPolarHBondContact CB-OE2 3.45Å; R48-E51 WeakPolarHBondContact CD-OE1 3.27Å; R48-E51 WeakPolarHBondContact CG-OE2 3.21Å; R48-E51 PolarHBondContact N-OE2 3.09Å; R48-E51 PolarHBondContact O-N 2.89Å; R48-E51 VanDerWaalsContact O-N 3.15Å; E51-G95 WeakPolarHBondContact O-CA 3.42Å; E51-G95 PolarHBondContact O-N 3.38Å; E51-I122 HydrophobicContact CB-CG2 3.87Å; E51-I122 HydrophobicContact CG-CG2 4.16Å; E51-I122 WeakPolarHBondContact OE2-CG2 3.43Å; E51-A123 CarbonylContact C-O 3.6Å; E51-A123 WeakPolarHBondContact CA-O 3.46Å
52V98.6Very high97.2Very high0 Ų041.6 Ų41.60%021%0.206CC..EExtended strand (participates in β ladder)trans-130.9130.1177.5176.90000108.1V91 E93 V94 V98 L101 I122 A123 R125 L128V52-V91 HydrophobicContact CG1-CB 4.44Å; V52-V91 HydrophobicContact CG1-CG1 3.82Å; V52-V91 HydrophobicContact CG1-CG2 4.07Å; V52-E93 WeakPolarHBondContact CA-O 3.19Å; V52-V94 HydrophobicContact CG1-CG1 4.4Å; V52-V94 HydrophobicContact CG2-CG1 4.37Å; V52-V98 HydrophobicContact CG2-CG1 4.07Å; V52-V98 HydrophobicContact CG2-CG2 4.14Å; V52-L101 HydrophobicContact CG2-CD1 4.22Å; V52-I122 WeakPolarHBondContact O-CA 3.32Å; V52-A123 PolarHBondContact N-O 3.17Å; V52-A123 PolarHBondContact O-N 3.17Å; V52-R125 HydrophobicContact CG2-CB 4.39Å; V52-L128 HydrophobicContact CB-CD1 3.65Å; V52-L128 HydrophobicContact CG1-CD1 3.68Å; V52-L128 HydrophobicContact CG2-CD1 4.1Å
53R98.2Very high97Very high30 Ų3041.8 Ų41.811%0.11321%0.214CC..EExtended strand (participates in β ladder)trans-87.3136.4165.6-170.7177.6-71.81463.6109.1Q45 I47 E92 E93 G121 I122Q45-R53 PolarHBondContact O-NH2 3.28Å; Q45-R53 VanDerWaalsContact O-NH2 3.11Å; I47-R53 HydrophobicContact CG2-CB 3.75Å; R53-E92 PolarHBondContact O-N 3.12Å; R53-E93 HydrophobicContact CB-CB 3.83Å; R53-E93 IonicContact CZ-OE2 3.21Å; R53-E93 PolarHBondContact N-O 3.38Å; R53-E93 IonicContact NE-OE2 3.91Å; R53-E93 IonicContact NH1-OE2 2.65Å; R53-E93 PolarHBondContact NH1-OE2 3.14Å; R53-E93 IonicContact NH2-OE2 3.68Å; R53-E93 PolarHBondContact O-N 3.35Å; R53-G121 WeakPolarHBondContact CA-O 3.46Å; R53-I122 HydrophobicContact CB-CG1 4.41Å; R53-I122 HydrophobicContact CG-CG1 4.32Å
54Y98.1Very high96.8Very high4 Ų439 Ų392%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-137156.2-179.859.7-95.4000111.9V56 L89 R90 F114 D120 G121 A123Y54-V56 HydrophobicContact CD2-CG2 4.19Å; Y54-V56 HydrophobicContact CE2-CG2 3.95Å; Y54-L89 HydrophobicContact CD1-CD1 4.37Å; Y54-L89 HydrophobicContact CD2-CB 4.28Å; Y54-L89 HydrophobicContact CD2-CD1 4.05Å; Y54-L89 HydrophobicContact CD2-CD2 3.79Å; Y54-L89 HydrophobicContact CD2-CG 4.26Å; Y54-L89 HydrophobicContact CE2-CD1 4.34Å; Y54-L89 HydrophobicContact CE2-CD2 4.01Å; Y54-L89 HydrophobicContact CG-CB 4.34Å; Y54-L89 HydrophobicContact CG-CD1 4.07Å; Y54-R90 CarbonylContact C-O 3.43Å; Y54-R90 WeakPolarHBondContact CA-O 3.42Å; Y54-R90 WeakPolarHBondContact CB-O 3.31Å; Y54-F114 HydrophobicContact CD1-CZ 4.4Å; Y54-F114 HydrophobicContact CE1-CE1 4.12Å; Y54-F114 AromaticContact CE1-CZ 3.56Å; Y54-F114 HydrophobicContact CE1-CZ 3.56Å; Y54-F114 AromaticContact CE2-CE1 3.86Å; Y54-F114 HydrophobicContact CE2-CE1 3.86Å; Y54-F114 HydrophobicContact CE2-CZ 4.13Å; Y54-F114 AromaticContact CZ-CE1 3.46Å; Y54-F114 VanDerWaalsContact CZ-CE1 3.46Å; Y54-F114 AromaticContact CZ-CZ 3.4Å; Y54-F114 VanDerWaalsContact CZ-CZ 3.4Å; Y54-F114 WeakPolarHBondContact OH-CE1 3.28Å; Y54-F114 VanDerWaalsContact OH-CZ 3.31Å; Y54-F114 WeakPolarHBondContact OH-CZ 3.4Å; Y54-D120 CarbonylContact O-C 3.59Å; Y54-D120 VanDerWaalsContact O-CA 3.29Å; Y54-D120 WeakPolarHBondContact O-CA 3.35Å; Y54-G121 WeakPolarHBondContact CD1-O 2.99Å; Y54-G121 VanDerWaalsContact CZ-CA 3.48Å; Y54-G121 PolarHBondContact N-O 3.4Å; Y54-G121 PolarHBondContact O-N 3.15Å; Y54-A123 HydrophobicContact CD1-CB 4.44Å; Y54-A123 HydrophobicContact CE1-CB 3.73Å
55K98Very high96.8Very high58 Ų5838.4 Ų38.425%0.25220%0.196SC..EExtended strand (participates in β ladder)trans-99.2138.2160-85.8178.5169-164.30110.1L89 R90 E92 T119 D120 E353K55-L89 CarbonylContact O-C 3.2Å; K55-L89 WeakPolarHBondContact O-CA 3.49Å; K55-R90 PolarHBondContact N-O 3.11Å; K55-R90 PolarHBondContact O-N 3.2Å; K55-E92 HydrophobicContact CB-CG 4.2Å; K55-E92 HydrophobicContact CD-CG 4.1Å; K55-E92 HydrophobicContact CG-CG 3.86Å; K55-T119 CarbonylContact C-O 3.48Å; K55-T119 WeakPolarHBondContact CA-O 3.34Å; K55-D120 WeakPolarHBondContact CG-OD1 3.48Å; K55-E353 IonicContact NZ-OE1 3.64Å; K55-E353 PolarHBondContact NZ-OE1 3.04Å
56V98.3Very high96.8Very high2 Ų232.3 Ų32.31%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-83121.6166.1-173.50000107.4Y54 A59 L89 R118 T119 F352Y54-V56 HydrophobicContact CD2-CG2 4.19Å; Y54-V56 HydrophobicContact CE2-CG2 3.95Å; V56-A59 HydrophobicContact CG1-CB 4.12Å; V56-L89 HydrophobicContact CB-CD2 4.22Å; V56-L89 HydrophobicContact CG1-CD2 4.26Å; V56-L89 HydrophobicContact CG2-CD2 3.68Å; V56-R118 WeakPolarHBondContact CB-O 3.48Å; V56-R118 HydrophobicContact CG2-CG 4.05Å; V56-R118 WeakPolarHBondContact CG2-O 3.48Å; V56-T119 PolarHBondContact N-O 2.61Å; V56-F352 HydrophobicContact CB-CD2 4.27Å; V56-F352 HydrophobicContact CB-CE2 4.24Å; V56-F352 HydrophobicContact CB-CZ 4.43Å; V56-F352 HydrophobicContact CG1-CD2 3.89Å; V56-F352 HydrophobicContact CG1-CE2 3.57Å; V56-F352 HydrophobicContact CG1-CZ 4.03Å; V56-F352 VanDerWaalsContact O-CB 3.23Å; V56-F352 WeakPolarHBondContact O-CB 3.11Å; V56-F352 WeakPolarHBondContact O-CG 3.42Å
57M98.1Very high96.8Very high19 Ų1931.3 Ų31.39%0.09416%0.159CC..EExtended strand (participates in β ladder)trans-87.9-40.4176.4-63.8179.4-66.700110.9V88 R90 W106 I137 F352M57-V88 HydrophobicContact CB-CG1 4.27Å; M57-V88 HydrophobicContact CE-CB 4.27Å; M57-V88 HydrophobicContact CE-CG1 3.93Å; M57-V88 HydrophobicContact CE-CG2 3.49Å; M57-V88 VanDerWaalsContact CE-CG2 3.49Å; M57-V88 PolarHBondContact N-O 3.48Å; M57-R90 HydrophobicContact CE-CB 4.19Å; M57-R90 HydrophobicContact CG-CB 4.05Å; M57-R90 HydrophobicContact SD-CB 3.83Å; M57-W106 HydrophobicContact CE-CD2 3.47Å; M57-W106 VanDerWaalsContact CE-CD2 3.47Å; M57-W106 HydrophobicContact CE-CE3 4.02Å; M57-W106 HydrophobicContact CE-CG 3.82Å; M57-W106 HydrophobicContact CE-CH2 4.24Å; M57-W106 HydrophobicContact CE-CZ2 3.71Å; M57-W106 HydrophobicContact CE-CZ3 4.38Å; M57-W106 HydrophobicContact SD-CZ2 3.82Å; M57-I137 HydrophobicContact CB-CD1 3.44Å; M57-I137 VanDerWaalsContact CB-CD1 3.44Å; M57-I137 HydrophobicContact CE-CD1 3.97Å; M57-I137 HydrophobicContact CG-CD1 4.4Å; M57-I137 HydrophobicContact SD-CD1 4.15Å; M57-F352 PolarHBondContact O-N 2.87Å; M57-F352 VanDerWaalsContact O-N 3.14Å
58A98.3Very high96.7Very high0 Ų030.4 Ų30.40%015%0.154CC..EExtended strand (participates in β ladder)trans-151.5146.6174.800000111.7G87 V88 I137 A141 I349 L350 V351A58-G87 CarbonylContact O-C 3.55Å; A58-G87 WeakPolarHBondContact O-CA 3.35Å; A58-V88 HydrophobicContact CB-CG1 4.17Å; A58-V88 PolarHBondContact O-N 3Å; A58-I137 HydrophobicContact CB-CD1 4.11Å; A58-I137 HydrophobicContact CB-CG1 3.7Å; A58-A141 HydrophobicContact CB-CB 3.84Å; A58-I349 HydrophobicContact CB-CG2 3.94Å; A58-L350 CarbonylContact C-O 3.59Å; A58-L350 WeakPolarHBondContact CA-O 3.42Å; A58-L350 WeakPolarHBondContact CB-O 3.39Å; A58-V351 HydrophobicContact CB-CG1 4.03Å
59A98.2Very high96.7Very high0 Ų021.9 Ų21.90%012%0.122CC..EExtended strand (participates in β ladder)trans-137.4142.6178.500000110.6V56 E86 I349 L350 F352V56-A59 HydrophobicContact CG1-CB 4.12Å; A59-E86 WeakPolarHBondContact CA-O 3.46Å; A59-I349 CarbonylContact O-C 3.6Å; A59-I349 WeakPolarHBondContact O-CA 3.38Å; A59-L350 PolarHBondContact N-O 2.77Å; A59-L350 PolarHBondContact O-N 3.27Å; A59-F352 HydrophobicContact CB-CE2 3.78Å; A59-F352 HydrophobicContact CB-CZ 4.11Å
60T97Very high96.6Very high0 Ų023 Ų230%012%0.121CC..EExtended strand (participates in β ladder)trans-90.2158.2-178.566.30000112.2N62 E86 W117 A141 T142 I349T60-N62 PolarHBondContact OG1-ND2 3.16Å; T60-E86 HydrophobicContact CG2-CG 4.01Å; T60-E86 PolarHBondContact N-O 3Å; T60-E86 WeakPolarHBondContact OG1-CB 3.42Å; T60-E86 WeakPolarHBondContact OG1-CG 3.19Å; T60-E86 PolarHBondContact OG1-OE2 2.92Å; T60-W117 PolarHBondContact O-NE1 3.36Å; T60-A141 VanDerWaalsContact CG2-O 3.28Å; T60-A141 WeakPolarHBondContact CG2-O 3.37Å; T60-T142 HydrophobicContact CG2-CG2 3.69Å; T60-I349 HydrophobicContact CG2-CG1 4.41Å
61I96.2Very high96.4Very high2 Ų219.4 Ų19.41%0.0111%0.106CC..EExtended strand (participates in β ladder)trans-111.6111.1163.2-48.2-172.6000108.2I66 W117 A336 I337 T340 K348 L350I61-I66 HydrophobicContact CG2-CD1 3.96Å; I61-I66 HydrophobicContact CG2-CG1 4.42Å; I61-W117 HydrophobicContact CB-CZ2 4.05Å; I61-W117 HydrophobicContact CD1-CZ2 4.34Å; I61-W117 HydrophobicContact CG1-CH2 4.49Å; I61-W117 HydrophobicContact CG1-CZ2 3.78Å; I61-W117 HydrophobicContact CG2-CH2 4Å; I61-W117 HydrophobicContact CG2-CZ2 3.73Å; I61-A336 HydrophobicContact CD1-CB 3.53Å; I61-I337 HydrophobicContact CD1-CG1 3.79Å; I61-T340 HydrophobicContact CB-CG2 4.44Å; I61-T340 HydrophobicContact CG2-CG2 3.76Å; I61-K348 HydrophobicContact CB-CB 4.34Å; I61-K348 HydrophobicContact CG1-CB 4.5Å; I61-K348 PolarHBondContact N-O 2.81Å; I61-L350 HydrophobicContact CD1-CD1 4.2Å; I61-L350 HydrophobicContact CD1-CD2 4.17Å; I61-L350 HydrophobicContact CD1-CG 4.1Å; I61-L350 HydrophobicContact CG1-CD1 4.34Å; I61-L350 HydrophobicContact CG1-CG 4.21Å
62N93.7Very high96.2Very high6 Ų622.2 Ų22.23%0.03212%0.122CC..  trans-101157.1175.8-67.1-65.9000111.2T60 A64 D65 I66 E86 K347T60-N62 PolarHBondContact OG1-ND2 3.16Å; N62-A64 HydrophobicContact CB-CB 4.37Å; N62-A64 PolarHBondContact O-N 3.23Å; N62-A64 VanDerWaalsContact O-N 3.13Å; N62-D65 WeakPolarHBondContact CA-OD2 3.18Å; N62-D65 WeakPolarHBondContact CB-OD2 3.37Å; N62-D65 PolarHBondContact N-OD2 3.32Å; N62-D65 PolarHBondContact ND2-OD2 3.03Å; N62-D65 WeakPolarHBondContact O-CB 3.29Å; N62-D65 PolarHBondContact O-N 2.99Å; N62-I66 PolarHBondContact O-N 3.28Å; N62-E86 PolarHBondContact ND2-OE2 3.48Å; N62-K347 WeakPolarHBondContact OD1-CE 3.5Å; N62-K347 PolarHBondContact OD1-NZ 2.81Å
63P91.5Very high95.8Very high80 Ų8024.2 Ų24.252%0.51913%0.13SC..Hα-helixtrans-54-30.2165.9-26.635.6000113.3I66 N67P63-I66 PolarHBondContact O-N 3.49Å; P63-N67 WeakPolarHBondContact O-CB 3.29Å; P63-N67 PolarHBondContact O-N 3.41Å; P63-N67 PolarHBondContact O-ND2 2.81Å
64A92.8Very high95.6Very high20 Ų2027.2 Ų27.217%0.16515%0.153CC..Hα-helixtrans-65.2-38.3174.300000112.7N62 N67 T68 Y73 M85N62-A64 HydrophobicContact CB-CB 4.37Å; N62-A64 PolarHBondContact O-N 3.23Å; N62-A64 VanDerWaalsContact O-N 3.13Å; A64-N67 PolarHBondContact O-N 3.33Å; A64-T68 WeakPolarHBondContact O-CB 3.39Å; A64-T68 PolarHBondContact O-N 2.96Å; A64-T68 PolarHBondContact O-OG1 3.1Å; A64-Y73 HydrophobicContact CB-CE1 4.3Å; A64-Y73 HydrophobicContact CB-CE2 4.14Å; A64-M85 HydrophobicContact CB-CE 4.34Å; A64-M85 HydrophobicContact CB-SD 4.27Å
65D95.6Very high95.2Very high3 Ų327.6 Ų27.62%0.01616%0.155CC..Hα-helixtrans-62.5-47.7175-61-68.9000110.5N62 N67 T68 I69 G84 M85 W117N62-D65 WeakPolarHBondContact CA-OD2 3.18Å; N62-D65 WeakPolarHBondContact CB-OD2 3.37Å; N62-D65 PolarHBondContact N-OD2 3.32Å; N62-D65 PolarHBondContact ND2-OD2 3.03Å; N62-D65 WeakPolarHBondContact O-CB 3.29Å; N62-D65 PolarHBondContact O-N 2.99Å; D65-N67 PolarHBondContact O-N 2.97Å; D65-T68 PolarHBondContact O-N 2.89Å; D65-I69 WeakPolarHBondContact O-CG1 3.46Å; D65-I69 PolarHBondContact O-N 3.33Å; D65-G84 VanDerWaalsContact OD1-C 3.32Å; D65-G84 WeakPolarHBondContact OD1-CA 3.43Å; D65-G84 PolarHBondContact OD1-N 3.46Å; D65-M85 VanDerWaalsContact OD1-CG 3.28Å; D65-M85 WeakPolarHBondContact OD1-CG 3.28Å; D65-M85 PolarHBondContact OD1-N 3.32Å; D65-W117 HydrophobicContact CB-CH2 3.86Å; D65-W117 HydrophobicContact CB-CZ2 3.57Å
66I95Very high94.9Very high6 Ų631.7 Ų31.73%0.03117%0.173CC..Hα-helixtrans-56.1-50176.1-59.3-53000110.4P33 I61 N62 P63 T68 I69 Q70 I337 T340 A341P33-I66 HydrophobicContact CB-CD1 4.29Å; P33-I66 HydrophobicContact CG-CD1 4.2Å; P33-I66 HydrophobicContact CG-CG2 4.02Å; I61-I66 HydrophobicContact CG2-CD1 3.96Å; I61-I66 HydrophobicContact CG2-CG1 4.42Å; N62-I66 PolarHBondContact O-N 3.28Å; P63-I66 PolarHBondContact O-N 3.49Å; I66-T68 VanDerWaalsContact C-N 3.33Å; I66-T68 PolarHBondContact O-N 3.11Å; I66-I69 PolarHBondContact O-N 2.98Å; I66-Q70 WeakPolarHBondContact O-CG 3.46Å; I66-Q70 PolarHBondContact O-N 3.46Å; I66-I337 HydrophobicContact CD1-CG2 4Å; I66-T340 HydrophobicContact CD1-CG2 4.44Å; I66-T340 HydrophobicContact CG1-CG2 3.9Å; I66-A341 HydrophobicContact CD1-CB 4.46Å; I66-A341 HydrophobicContact CG2-CB 4.11Å
67N94.4Very high94.5Very high49 Ų4932.9 Ų32.926%0.26218%0.181SC..Hα-helixtrans-66.6-32.4-178.8-69.1-17.4000112.8P63 A64 D65 G71 I72 Y73P63-N67 WeakPolarHBondContact O-CB 3.29Å; P63-N67 PolarHBondContact O-N 3.41Å; P63-N67 PolarHBondContact O-ND2 2.81Å; A64-N67 PolarHBondContact O-N 3.33Å; D65-N67 PolarHBondContact O-N 2.97Å; N67-G71 PolarHBondContact O-N 3.38Å; N67-I72 HydrophobicContact CB-CD1 4.35Å; N67-I72 HydrophobicContact CB-CG1 3.91Å; N67-I72 WeakPolarHBondContact O-CG1 3.49Å; N67-I72 PolarHBondContact O-N 2.77Å; N67-Y73 HydrophobicContact CB-CD2 4.13Å; N67-Y73 HydrophobicContact CB-CG 4.32Å; N67-Y73 PolarHBondContact O-N 3.03Å; N67-Y73 VanDerWaalsContact O-N 3.12Å
68T96.5Very high94.4Very high7 Ų737.6 Ų37.64%0.04321%0.213CC..Hα-helixtrans-67-44.2174.7-83.20000111.1A64 D65 I66 Q70 G71 Y73 I75 P77 M85A64-T68 WeakPolarHBondContact O-CB 3.39Å; A64-T68 PolarHBondContact O-N 2.96Å; A64-T68 PolarHBondContact O-OG1 3.1Å; D65-T68 PolarHBondContact O-N 2.89Å; I66-T68 VanDerWaalsContact C-N 3.33Å; I66-T68 PolarHBondContact O-N 3.11Å; T68-Q70 VanDerWaalsContact C-N 3.32Å; T68-Q70 PolarHBondContact O-N 3.07Å; T68-G71 PolarHBondContact O-N 3.39Å; T68-Y73 WeakPolarHBondContact OG1-CB 3.46Å; T68-Y73 VanDerWaalsContact OG1-CD1 3.26Å; T68-Y73 WeakPolarHBondContact OG1-CD1 3.49Å; T68-I75 PolarHBondContact OG1-O 3.15Å; T68-P77 HydrophobicContact CG2-CG 4.25Å; T68-M85 HydrophobicContact CG2-CE 4.35Å; T68-M85 WeakPolarHBondContact OG1-CE 3.38Å
69I97.2Very high94.3Very high1 Ų140.9 Ų40.91%0.00523%0.23CC..Hα-helixtrans-64.2-40.6176.8-65160.6000110.4Y27 H30 G31 P33 V36 V37 D65 I66 G71 W117Y27-I69 HydrophobicContact CD1-CG1 3.94Å; Y27-I69 HydrophobicContact CD2-CG2 4.26Å; Y27-I69 HydrophobicContact CE1-CG1 3.81Å; Y27-I69 HydrophobicContact CE2-CG1 4.39Å; Y27-I69 HydrophobicContact CG-CG1 4.31Å; Y27-I69 HydrophobicContact CG-CG2 4.21Å; H30-I69 VanDerWaalsContact CA-O 3.24Å; H30-I69 WeakPolarHBondContact CA-O 3.34Å; H30-I69 PolarHBondContact ND1-O 2.94Å; H30-I69 VanDerWaalsContact ND1-O 3.13Å; G31-I69 PolarHBondContact N-O 2.81Å; P33-I69 HydrophobicContact CB-CB 4.35Å; P33-I69 HydrophobicContact CB-CD1 4.2Å; P33-I69 HydrophobicContact CB-CG2 3.9Å; P33-I69 HydrophobicContact CG-CB 3.95Å; P33-I69 HydrophobicContact CG-CD1 4.48Å; P33-I69 HydrophobicContact CG-CG2 3.78Å; V36-I69 HydrophobicContact CG2-CG2 3.49Å; V36-I69 VanDerWaalsContact CG2-CG2 3.49Å; V37-I69 HydrophobicContact CG2-CD1 3.9Å; V37-I69 HydrophobicContact CG2-CG2 4.15Å; D65-I69 WeakPolarHBondContact O-CG1 3.46Å; D65-I69 PolarHBondContact O-N 3.33Å; I66-I69 PolarHBondContact O-N 2.98Å; I69-G71 PolarHBondContact O-N 3.13Å; I69-W117 HydrophobicContact CD1-CH2 3.77Å; I69-W117 HydrophobicContact CD1-CZ3 3.56Å
70Q95.9Very high94.2Very high58 Ų5844.7 Ų44.727%0.27126%0.255SS..THydrogen-bonded Turntrans-66.9-10.6174-71.4175.6-17.600114.3G31 P33 I66 T68 I72G31-Q70 WeakPolarHBondContact O-CA 3.44Å; G31-Q70 WeakPolarHBondContact O-CG 3.44Å; P33-Q70 HydrophobicContact CG-CG 4.16Å; I66-Q70 WeakPolarHBondContact O-CG 3.46Å; I66-Q70 PolarHBondContact O-N 3.46Å; T68-Q70 VanDerWaalsContact C-N 3.32Å; T68-Q70 PolarHBondContact O-N 3.07Å; Q70-I72 VanDerWaalsContact C-N 3.28Å; Q70-I72 HydrophobicContact CB-CG1 4.11Å; Q70-I72 PolarHBondContact O-N 2.96Å
71G94.9Very high94.2Very high18 Ų1845 Ų4519%0.18626%0.258CS..THydrogen-bonded Turntrans77.37.8179.500000115.2H30 N67 T68 I69H30-G71 WeakPolarHBondContact ND1-CA 3.24Å; N67-G71 PolarHBondContact O-N 3.38Å; T68-G71 PolarHBondContact O-N 3.39Å; I69-G71 PolarHBondContact O-N 3.13Å
72I93Very high94.3Very high103 Ų10345.9 Ų45.953%0.52826%0.263SS..  trans-98.8-6.4-17864.9171.5000113.6N67 Q70N67-I72 HydrophobicContact CB-CD1 4.35Å; N67-I72 HydrophobicContact CB-CG1 3.91Å; N67-I72 WeakPolarHBondContact O-CG1 3.49Å; N67-I72 PolarHBondContact O-N 2.77Å; Q70-I72 VanDerWaalsContact C-N 3.28Å; Q70-I72 HydrophobicContact CB-CG1 4.11Å; Q70-I72 PolarHBondContact O-N 2.96Å
73Y92.2Very high94.4Very high42 Ų4245.8 Ų45.817%0.16526%0.263CS..SBendtrans-87.3151.9174-158.3-116.3000111.4A64 N67 T68 I75 M85 W290A64-Y73 HydrophobicContact CB-CE1 4.3Å; A64-Y73 HydrophobicContact CB-CE2 4.14Å; N67-Y73 HydrophobicContact CB-CD2 4.13Å; N67-Y73 HydrophobicContact CB-CG 4.32Å; N67-Y73 PolarHBondContact O-N 3.03Å; N67-Y73 VanDerWaalsContact O-N 3.12Å; T68-Y73 WeakPolarHBondContact OG1-CB 3.46Å; T68-Y73 VanDerWaalsContact OG1-CD1 3.26Å; T68-Y73 WeakPolarHBondContact OG1-CD1 3.49Å; Y73-I75 HydrophobicContact CD1-CB 3.83Å; Y73-I75 HydrophobicContact CD1-CG1 3.82Å; Y73-I75 HydrophobicContact CE1-CB 4.23Å; Y73-I75 HydrophobicContact CE1-CG1 3.72Å; Y73-I75 PolarHBondContact O-N 3.01Å; Y73-M85 HydrophobicContact CD1-CE 3.97Å; Y73-M85 HydrophobicContact CE1-CE 3.93Å; Y73-M85 HydrophobicContact CE1-SD 4.46Å; Y73-W290 HydrophobicContact CE1-CZ2 4.33Å; Y73-W290 AromaticContact CZ-NE1 3.74Å; Y73-W290 PolarHBondContact OH-NE1 3.47Å
74P92.1Very high94.7Very high93 Ų9342.2 Ų42.260%0.60424%0.241SC*.SBendtrans-62-21.6177.4-26.736.4000114.9W290P74-W290 HydrophobicContact CB-CH2 3.99Å; P74-W290 HydrophobicContact CB-CZ2 4.29Å
75I90.3Very high94.8Very high13 Ų1342.2 Ų42.27%0.06724%0.238CC..  trans-85.9116.6174.4-54.8-60.9000109.5T68 Y73 P77 M85 W290 T292T68-I75 PolarHBondContact OG1-O 3.15Å; Y73-I75 HydrophobicContact CD1-CB 3.83Å; Y73-I75 HydrophobicContact CD1-CG1 3.82Å; Y73-I75 HydrophobicContact CE1-CB 4.23Å; Y73-I75 HydrophobicContact CE1-CG1 3.72Å; Y73-I75 PolarHBondContact O-N 3.01Å; I75-P77 HydrophobicContact CG2-CG 4.26Å; I75-M85 HydrophobicContact CB-CE 4.42Å; I75-W290 HydrophobicContact CD1-CH2 3.78Å; I75-W290 HydrophobicContact CD1-CZ2 3.69Å; I75-W290 HydrophobicContact CG1-CH2 4.38Å; I75-W290 HydrophobicContact CG1-CZ2 3.86Å; I75-T292 HydrophobicContact CD1-CG2 4.05Å
76K91.4Very high94.9Very high143 Ų14342.1 Ų42.162%0.62224%0.237SC*.  trans-123.190.1176-63-177.6180-177.30109.9
77P91.6Very high95Very high27 Ų2741.8 Ų41.818%0.17524%0.236CC..PPolyproline II helixtrans-62.5148.7172.6-18.933.2000110.6T68 I75 A81T68-P77 HydrophobicContact CG2-CG 4.25Å; I75-P77 HydrophobicContact CG2-CG 4.26Å; P77-A81 HydrophobicContact CB-CB 3.88Å
78P93.9Very high95.2Very high119 Ų11939.5 Ų39.577%0.77322%0.223SC*.PPolyproline II helixtrans-57.2138.7169.3-21.132.6000110.6P80 A81P78-P80 CarbonylContact O-C 3.59Å; P78-A81 WeakPolarHBondContact O-CB 3.14Å
79L96.3Very high95.3Very high68 Ų6839.2 Ų39.236%0.35622%0.222SC..SBendtrans-91.8145.2178.6-56.4179.8000110.5Y27 K28 A81Y27-L79 HydrophobicContact CD2-CD2 3.76Å; Y27-L79 HydrophobicContact CE2-CD2 3.46Å; Y27-L79 VanDerWaalsContact CE2-CD2 3.46Å; K28-L79 WeakPolarHBondContact O-CD1 3.4Å; L79-A81 HydrophobicContact CD2-CB 3.96Å
80P96.7Very high95.4Very high80 Ų8042.1 Ų42.152%0.51923%0.233SC..SBendcis-68.9146-3.531.2-36.4000112.6E26 K28 P78E26-P80 HydrophobicContact CG-CB 3.84Å; K28-P80 HydrophobicContact CG-CB 4.15Å; P78-P80 CarbonylContact O-C 3.59Å
81A97Very high95.5Very high8 Ų839.4 Ų39.47%0.06622%0.22CC..EExtended strand (participates in β ladder)trans-128.7151-176.400000111.9E26 Y27 P77 P78 L79E26-A81 CarbonylContact C-O 3.56Å; E26-A81 VanDerWaalsContact CA-O 3.26Å; E26-A81 WeakPolarHBondContact CA-O 3.31Å; Y27-A81 HydrophobicContact CD1-CB 4.39Å; Y27-A81 WeakPolarHBondContact CD1-O 3.26Å; Y27-A81 HydrophobicContact CE1-CB 3.68Å; Y27-A81 WeakPolarHBondContact CE1-O 3.47Å; Y27-A81 HydrophobicContact CE2-CB 4.02Å; Y27-A81 VanDerWaalsContact CZ-CB 3.46Å; Y27-A81 PolarHBondContact N-O 3.16Å; Y27-A81 PolarHBondContact O-N 3.07Å; Y27-A81 WeakPolarHBondContact OH-CB 3.38Å; P77-A81 HydrophobicContact CB-CB 3.88Å; P78-A81 WeakPolarHBondContact O-CB 3.14Å; L79-A81 HydrophobicContact CD2-CB 3.96Å
82V97.8Very high95.6Very high20 Ų2041.7 Ų41.712%0.12123%0.226CC..EExtended strand (participates in β ladder)trans-94.1132.8172.7-1790000109.2Q24 L25 G115 W117 R118Q24-V82 HydrophobicContact CB-CG1 4.18Å; Q24-V82 HydrophobicContact CB-CG2 4.17Å; Q24-V82 VanDerWaalsContact CD-CG2 3.46Å; Q24-V82 HydrophobicContact CG-CG2 4.06Å; L25-V82 WeakPolarHBondContact O-CA 3.29Å; V82-G115 VanDerWaalsContact O-CA 3.31Å; V82-G115 WeakPolarHBondContact O-CA 3.45Å; V82-W117 HydrophobicContact CG1-CB 4.47Å; V82-R118 HydrophobicContact CG1-CB 4.4Å
83G97.3Very high95.9Very high3 Ų340.3 Ų40.33%0.03122%0.217CC..  trans-69.6164.7177.800000113.5L25 G115 T116 W117L25-G83 PolarHBondContact O-N 3.21Å; G83-G115 CarbonylContact O-C 3.5Å; G83-G115 VanDerWaalsContact O-CA 3.25Å; G83-G115 WeakPolarHBondContact O-CA 3.31Å; G83-T116 PolarHBondContact O-N 3.2Å; G83-T116 VanDerWaalsContact O-N 3.16Å; G83-W117 VanDerWaalsContact C-CD2 3.48Å; G83-W117 VanDerWaalsContact C-CG 3.49Å; G83-W117 WeakPolarHBondContact O-CB 3.29Å; G83-W117 VanDerWaalsContact O-CG 3.25Å; G83-W117 PolarHBondContact O-N 2.84Å
84G97Very high96.2Very high6 Ų640.4 Ų40.46%0.06222%0.222CC..  trans98.7120.7173.700000114.6D65 G115 T116 W117D65-G84 VanDerWaalsContact OD1-C 3.32Å; D65-G84 WeakPolarHBondContact OD1-CA 3.43Å; D65-G84 PolarHBondContact OD1-N 3.46Å; G84-G115 CarbonylContact O-C 3.51Å; G84-G115 WeakPolarHBondContact O-CA 3.36Å; G84-G115 PolarHBondContact O-N 3.21Å; G84-T116 VanDerWaalsContact C-OG1 3.27Å; G84-T116 WeakPolarHBondContact CA-OG1 3.27Å; G84-T116 PolarHBondContact O-N 3.35Å; G84-T116 PolarHBondContact O-OG1 3.19Å; G84-W117 VanDerWaalsContact CA-CD1 3.48Å; G84-W117 VanDerWaalsContact CA-NE1 3.29Å
85M95.3Very high96.5Very high20 Ų2036.2 Ų36.210%0.09920%0.196CC..SBendtrans-97-24.2174.6-51.3-164.9177.400113.4A64 D65 T68 Y73 I75 A112A64-M85 HydrophobicContact CB-CE 4.34Å; A64-M85 HydrophobicContact CB-SD 4.27Å; D65-M85 VanDerWaalsContact OD1-CG 3.28Å; D65-M85 WeakPolarHBondContact OD1-CG 3.28Å; D65-M85 PolarHBondContact OD1-N 3.32Å; T68-M85 HydrophobicContact CG2-CE 4.35Å; T68-M85 WeakPolarHBondContact OG1-CE 3.38Å; Y73-M85 HydrophobicContact CD1-CE 3.97Å; Y73-M85 HydrophobicContact CE1-CE 3.93Å; Y73-M85 HydrophobicContact CE1-SD 4.46Å; I75-M85 HydrophobicContact CB-CE 4.42Å; M85-A112 WeakPolarHBondContact CA-O 3.39Å; M85-A112 WeakPolarHBondContact CB-O 3.24Å; M85-A112 WeakPolarHBondContact CG-O 3.38Å; M85-A112 HydrophobicContact SD-CB 3.99Å
86E96.4Very high96.8Very high0 Ų040.7 Ų40.70%023%0.228CC..  trans-135.5142.7-164.1165.2177.2-112.600110.8A59 T60 N62 T116 A141 A144 V145 K347A59-E86 WeakPolarHBondContact CA-O 3.46Å; T60-E86 HydrophobicContact CG2-CG 4.01Å; T60-E86 PolarHBondContact N-O 3Å; T60-E86 WeakPolarHBondContact OG1-CB 3.42Å; T60-E86 WeakPolarHBondContact OG1-CG 3.19Å; T60-E86 PolarHBondContact OG1-OE2 2.92Å; N62-E86 PolarHBondContact ND2-OE2 3.48Å; E86-T116 PolarHBondContact N-OG1 2.87Å; E86-T116 PolarHBondContact O-OG1 3.46Å; E86-A141 WeakPolarHBondContact CG-O 3.24Å; E86-A144 HydrophobicContact CG-CB 4.44Å; E86-A144 PolarHBondContact OE1-N 3.07Å; E86-A144 VanDerWaalsContact OE1-N 3.17Å; E86-V145 HydrophobicContact CB-CG2 3.69Å; E86-V145 VanDerWaalsContact CD-CG2 3.48Å; E86-V145 HydrophobicContact CG-CG2 4.05Å; E86-V145 WeakPolarHBondContact OE1-CA 3.49Å; E86-V145 VanDerWaalsContact OE1-CB 3.25Å; E86-V145 WeakPolarHBondContact OE1-CB 3.29Å; E86-V145 WeakPolarHBondContact OE1-CG2 3.46Å; E86-V145 PolarHBondContact OE1-N 3.4Å; E86-K347 IonicContact OE2-NZ 3.38Å; E86-K347 PolarHBondContact OE2-NZ 2.9Å
87G97.9Very high97.2Very high0 Ų038.2 Ų38.20%022%0.222CC..EExtended strand (participates in β ladder)trans171177.1-179.500000111.5A58 P109A58-G87 CarbonylContact O-C 3.55Å; A58-G87 WeakPolarHBondContact O-CA 3.35Å; G87-P109 VanDerWaalsContact O-CD 3.26Å; G87-P109 WeakPolarHBondContact O-CD 3.17Å
88V98.5Very high97.5Very high0 Ų037.5 Ų37.50%022%0.217CC..EExtended strand (participates in β ladder)trans-117.9134.6174.761.70000110.3M57 A58 W106 I131 I137 A140 A141M57-V88 HydrophobicContact CB-CG1 4.27Å; M57-V88 HydrophobicContact CE-CB 4.27Å; M57-V88 HydrophobicContact CE-CG1 3.93Å; M57-V88 HydrophobicContact CE-CG2 3.49Å; M57-V88 VanDerWaalsContact CE-CG2 3.49Å; M57-V88 PolarHBondContact N-O 3.48Å; A58-V88 HydrophobicContact CB-CG1 4.17Å; A58-V88 PolarHBondContact O-N 3Å; V88-W106 HydrophobicContact CG2-CB 4.36Å; V88-W106 HydrophobicContact CG2-CD2 4.16Å; V88-W106 HydrophobicContact CG2-CE3 3.8Å; V88-W106 HydrophobicContact CG2-CG 4.43Å; V88-W106 HydrophobicContact CG2-CZ3 4.45Å; V88-I131 HydrophobicContact CG2-CD1 4.1Å; V88-I137 HydrophobicContact CG1-CD1 3.37Å; V88-I137 HydrophobicContact CG1-CG1 4.21Å; V88-A140 HydrophobicContact CB-CB 3.86Å; V88-A140 HydrophobicContact CG1-CB 4.17Å; V88-A140 HydrophobicContact CG2-CB 3.63Å; V88-A141 HydrophobicContact CB-CB 4.4Å; V88-A141 HydrophobicContact CG1-CB 3.86Å
89L98.6Very high97.6Very high1 Ų142.6 Ų42.61%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-113.3145-174.3-43.4177.3000109.4Y54 K55 V56 W106 A107 P109 F114 L128Y54-L89 HydrophobicContact CD1-CD1 4.37Å; Y54-L89 HydrophobicContact CD2-CB 4.28Å; Y54-L89 HydrophobicContact CD2-CD1 4.05Å; Y54-L89 HydrophobicContact CD2-CD2 3.79Å; Y54-L89 HydrophobicContact CD2-CG 4.26Å; Y54-L89 HydrophobicContact CE2-CD1 4.34Å; Y54-L89 HydrophobicContact CE2-CD2 4.01Å; Y54-L89 HydrophobicContact CG-CB 4.34Å; Y54-L89 HydrophobicContact CG-CD1 4.07Å; K55-L89 CarbonylContact O-C 3.2Å; K55-L89 WeakPolarHBondContact O-CA 3.49Å; V56-L89 HydrophobicContact CB-CD2 4.22Å; V56-L89 HydrophobicContact CG1-CD2 4.26Å; V56-L89 HydrophobicContact CG2-CD2 3.68Å; L89-W106 CarbonylContact O-C 3.47Å; L89-W106 VanDerWaalsContact O-CA 3.29Å; L89-W106 WeakPolarHBondContact O-CA 3.38Å; L89-A107 WeakPolarHBondContact CB-O 3.46Å; L89-A107 PolarHBondContact N-O 3.47Å; L89-A107 PolarHBondContact O-N 2.8Å; L89-P109 HydrophobicContact CD1-CG 4.33Å; L89-F114 HydrophobicContact CD1-CE1 3.8Å; L89-F114 HydrophobicContact CD1-CZ 3.65Å; L89-F114 HydrophobicContact CD2-CE1 4.26Å; L89-L128 HydrophobicContact CD1-CD2 3.56Å
90R98.4Very high97.7Very high63 Ų6342.3 Ų42.324%0.23822%0.22CC..EExtended strand (participates in β ladder)trans-106.6129.9164.8-170.7174.973.4-148.3-2.9108.9Y54 K55 M57 E92 D105 E353Y54-R90 CarbonylContact C-O 3.43Å; Y54-R90 WeakPolarHBondContact CA-O 3.42Å; Y54-R90 WeakPolarHBondContact CB-O 3.31Å; K55-R90 PolarHBondContact N-O 3.11Å; K55-R90 PolarHBondContact O-N 3.2Å; M57-R90 HydrophobicContact CE-CB 4.19Å; M57-R90 HydrophobicContact CG-CB 4.05Å; M57-R90 HydrophobicContact SD-CB 3.83Å; R90-E92 IonicContact CZ-OE1 2.69Å; R90-E92 IonicContact NE-OE1 3.09Å; R90-E92 PolarHBondContact NE-OE1 3.32Å; R90-E92 IonicContact NH2-OE1 3.8Å; R90-E92 PolarHBondContact NH2-OE1 3.48Å; R90-D105 WeakPolarHBondContact CA-O 3.34Å; R90-E353 IonicContact NH1-OE2 2.75Å; R90-E353 PolarHBondContact NH1-OE2 3.24Å; R90-E353 IonicContact NH2-OE1 2.68Å; R90-E353 IonicContact NH2-OE2 2.7Å
91V98.6Very high97.8Very high1 Ų138.9 Ų38.91%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-71.5128.1176.1176.60000109.7V52 V94 L101 A102 G104 D105V52-V91 HydrophobicContact CG1-CB 4.44Å; V52-V91 HydrophobicContact CG1-CG1 3.82Å; V52-V91 HydrophobicContact CG1-CG2 4.07Å; V91-V94 HydrophobicContact CG1-CG1 3.47Å; V91-V94 VanDerWaalsContact CG1-CG1 3.47Å; V91-L101 HydrophobicContact CG2-CD1 4.35Å; V91-L101 HydrophobicContact CG2-CD2 4.37Å; V91-A102 WeakPolarHBondContact CB-O 3.12Å; V91-A102 WeakPolarHBondContact CG1-O 3.38Å; V91-G104 PolarHBondContact O-N 3.18Å; V91-D105 HydrophobicContact CB-CB 4.43Å; V91-D105 HydrophobicContact CG2-CB 4.11Å; V91-D105 PolarHBondContact N-O 2.73Å
92E97.8Very high97.8Very high65 Ų6540.9 Ų40.930%0.30421%0.214SC..EExtended strand (participates in β ladder)trans-111.5-31.1179.7-66-70136.400112.3R53 K55 R90 V103R53-E92 PolarHBondContact O-N 3.12Å; K55-E92 HydrophobicContact CB-CG 4.2Å; K55-E92 HydrophobicContact CD-CG 4.1Å; K55-E92 HydrophobicContact CG-CG 3.86Å; R90-E92 IonicContact CZ-OE1 2.69Å; R90-E92 IonicContact NE-OE1 3.09Å; R90-E92 PolarHBondContact NE-OE1 3.32Å; R90-E92 IonicContact NH2-OE1 3.8Å; R90-E92 PolarHBondContact NH2-OE1 3.48Å; E92-V103 WeakPolarHBondContact O-CG2 3.21Å
93E98Very high97.8Very high74 Ų7444.6 Ų44.635%0.34624%0.236SC..EExtended strand (participates in β ladder)trans-152.3143.1178.4-161.7-174.8162.900109.3I47 V52 R53I47-E93 HydrophobicContact CD1-CB 3.94Å; I47-E93 HydrophobicContact CD1-CG 3.56Å; I47-E93 HydrophobicContact CG1-CG 4.36Å; V52-E93 WeakPolarHBondContact CA-O 3.19Å; R53-E93 HydrophobicContact CB-CB 3.83Å; R53-E93 IonicContact CZ-OE2 3.21Å; R53-E93 PolarHBondContact N-O 3.38Å; R53-E93 IonicContact NE-OE2 3.91Å; R53-E93 IonicContact NH1-OE2 2.65Å; R53-E93 PolarHBondContact NH1-OE2 3.14Å; R53-E93 IonicContact NH2-OE2 3.68Å; R53-E93 PolarHBondContact O-N 3.35Å
94V98.5Very high97.9Very high44 Ų4446 Ų4627%0.26725%0.25SS..EExtended strand (participates in β ladder)trans-124.1138.7177.9-61.50000110.2I47 V52 V91 V98 L101I47-V94 VanDerWaalsContact CD1-C 3.46Å; V52-V94 HydrophobicContact CG1-CG1 4.4Å; V52-V94 HydrophobicContact CG2-CG1 4.37Å; V91-V94 HydrophobicContact CG1-CG1 3.47Å; V91-V94 VanDerWaalsContact CG1-CG1 3.47Å; V94-V98 HydrophobicContact CB-CB 4.13Å; V94-V98 HydrophobicContact CB-CG1 4.16Å; V94-V98 HydrophobicContact CG1-CG1 4.31Å; V94-L101 HydrophobicContact CG1-CB 4.31Å
95G98.3Very high97.9Very high6 Ų646.8 Ų46.86%0.06225%0.253CS..  trans-68.3158.6174.900000111.7A49 E51 N97 V98A49-G95 CarbonylContact O-C 3.04Å; A49-G95 WeakPolarHBondContact O-CA 3.27Å; E51-G95 WeakPolarHBondContact O-CA 3.42Å; E51-G95 PolarHBondContact O-N 3.38Å; G95-N97 PolarHBondContact O-N 3.3Å; G95-N97 VanDerWaalsContact O-N 3.07Å; G95-V98 WeakPolarHBondContact O-CB 3.48Å; G95-V98 PolarHBondContact O-N 3.09Å
96S98Very high98.1Very high106 Ų10647.8 Ų47.874%0.74126%0.256SS*.THydrogen-bonded Turntrans-60-21.5-173.757.50000115.4A49A49-S96 WeakPolarHBondContact CB-OG 3.32Å; A49-S96 PolarHBondContact O-N 2.8Å
97N98.4Very high98.2Very high91 Ų9147.8 Ų47.849%0.48726%0.256SS..THydrogen-bonded Turntrans-95.4-1.8179.3-63.3-9000112.7A49 D50 G95A49-N97 WeakPolarHBondContact O-CB 3.46Å; A49-N97 PolarHBondContact O-N 3.27Å; D50-N97 WeakPolarHBondContact OD1-CB 3.44Å; D50-N97 PolarHBondContact OD1-ND2 3.36Å; G95-N97 PolarHBondContact O-N 3.3Å; G95-N97 VanDerWaalsContact O-N 3.07Å
98V98.5Very high98.2Very high13 Ų1347.8 Ų47.88%0.07926%0.256CS..  trans-91.5109.1179.3-179.90000109.4V52 V94 G95 L101 R125V52-V98 HydrophobicContact CG2-CG1 4.07Å; V52-V98 HydrophobicContact CG2-CG2 4.14Å; V94-V98 HydrophobicContact CB-CB 4.13Å; V94-V98 HydrophobicContact CB-CG1 4.16Å; V94-V98 HydrophobicContact CG1-CG1 4.31Å; G95-V98 WeakPolarHBondContact O-CB 3.48Å; G95-V98 PolarHBondContact O-N 3.09Å; V98-L101 HydrophobicContact CG1-CB 3.96Å; V98-R125 HydrophobicContact CG1-CB 4.45Å; V98-R125 HydrophobicContact CG1-CG 4.02Å; V98-R125 HydrophobicContact CG2-CB 3.81Å; V98-R125 HydrophobicContact CG2-CG 4.18Å
99W96.9Very high98.2Very high226 Ų22648 Ų4886%0.85626%0.257SS*.  trans-110.8-14.2-172.956.2-91.3000114.5
100D97.5Very high98.1Very high61 Ų6149.6 Ų49.633%0.32627%0.268SS..SBendtrans-112.310.2-174.868.6-19.1000113.8R125D100-R125 IonicContact OD1-CZ 3.3Å; D100-R125 IonicContact OD1-NE 2.84Å; D100-R125 PolarHBondContact OD1-NE 2.83Å; D100-R125 IonicContact OD1-NH2 2.61Å; D100-R125 PolarHBondContact OD1-NH2 3.34Å; D100-R125 VanDerWaalsContact OD1-NH2 3.09Å; D100-R125 IonicContact OD2-CZ 3.26Å; D100-R125 VanDerWaalsContact OD2-CZ 3.3Å; D100-R125 IonicContact OD2-NE 3.96Å; D100-R125 IonicContact OD2-NH2 3.53Å; D100-R125 PolarHBondContact OD2-NH2 3.33Å
101L98.2Very high97.8Very high8 Ų848.7 Ų48.74%0.04227%0.271CS..  trans-130.2145.2166.1-77177.2000109.3V52 V91 V94 V98 D105 R125 L128 K130V52-L101 HydrophobicContact CG2-CD1 4.22Å; V91-L101 HydrophobicContact CG2-CD1 4.35Å; V91-L101 HydrophobicContact CG2-CD2 4.37Å; V94-L101 HydrophobicContact CG1-CB 4.31Å; V98-L101 HydrophobicContact CG1-CB 3.96Å; L101-D105 WeakPolarHBondContact CA-OD2 3.45Å; L101-D105 HydrophobicContact CD2-CB 4.06Å; L101-R125 VanDerWaalsContact CD1-CD 3.4Å; L101-R125 VanDerWaalsContact CD1-NE 3.33Å; L101-L128 HydrophobicContact CD1-CB 4.17Å; L101-L128 HydrophobicContact CD1-CD1 4.14Å; L101-K130 HydrophobicContact CD2-CB 3.74Å; L101-K130 HydrophobicContact CD2-CD 4.03Å; L101-K130 HydrophobicContact CD2-CG 3.91Å
102A98.3Very high97.2Very high50 Ų5049.3 Ų49.341%0.41328%0.276SS..  trans-130.5160.3174.400000110.9V91 G104 D105V91-A102 WeakPolarHBondContact CB-O 3.12Å; V91-A102 WeakPolarHBondContact CG1-O 3.38Å; A102-G104 PolarHBondContact O-N 3.03Å; A102-D105 PolarHBondContact N-OD2 2.9Å; A102-D105 WeakPolarHBondContact O-CB 3.32Å; A102-D105 PolarHBondContact O-N 3.21Å
103V98.3Very high96.7Very high98 Ų9848.5 Ų48.559%0.59429%0.285SS*.THydrogen-bonded Turntrans-53.5133.8172.7179.30000110.3E92 D105E92-V103 WeakPolarHBondContact O-CG2 3.21Å; V103-D105 VanDerWaalsContact C-N 3.33Å
104G98Very high96.6Very high32 Ų3245.9 Ų45.933%0.3327%0.273SS..THydrogen-bonded Turntrans88.6-13.2-17600000114.9V91 A102V91-G104 PolarHBondContact O-N 3.18Å; A102-G104 PolarHBondContact O-N 3.03Å
105D98.6Very high96.5Very high24 Ų2443.9 Ų43.913%0.12826%0.261CS..  trans-61.6147.2172.5-80.8-31.1000111.2R90 V91 L101 A102 V103 K130R90-D105 WeakPolarHBondContact CA-O 3.34Å; V91-D105 HydrophobicContact CB-CB 4.43Å; V91-D105 HydrophobicContact CG2-CB 4.11Å; V91-D105 PolarHBondContact N-O 2.73Å; L101-D105 WeakPolarHBondContact CA-OD2 3.45Å; L101-D105 HydrophobicContact CD2-CB 4.06Å; A102-D105 PolarHBondContact N-OD2 2.9Å; A102-D105 WeakPolarHBondContact O-CB 3.32Å; A102-D105 PolarHBondContact O-N 3.21Å; V103-D105 VanDerWaalsContact C-N 3.33Å; D105-K130 VanDerWaalsContact CG-CE 3.42Å; D105-K130 WeakPolarHBondContact OD1-CE 3.3Å; D105-K130 IonicContact OD1-NZ 3.2Å; D105-K130 PolarHBondContact OD1-NZ 2.92Å; D105-K130 WeakPolarHBondContact OD2-CE 3.22Å; D105-K130 IonicContact OD2-NZ 3.88Å; D105-K130 PolarHBondContact OD2-NZ 2.88Å
106W98.6Very high96.5Very high40 Ų4043.6 Ų43.615%0.15226%0.258CS..EExtended strand (participates in β ladder)trans-95.4138.1171.3-73.619.5000110.3M57 V88 L89 K130 I131 N133 L135 I137 A140M57-W106 HydrophobicContact CE-CD2 3.47Å; M57-W106 VanDerWaalsContact CE-CD2 3.47Å; M57-W106 HydrophobicContact CE-CE3 4.02Å; M57-W106 HydrophobicContact CE-CG 3.82Å; M57-W106 HydrophobicContact CE-CH2 4.24Å; M57-W106 HydrophobicContact CE-CZ2 3.71Å; M57-W106 HydrophobicContact CE-CZ3 4.38Å; M57-W106 HydrophobicContact SD-CZ2 3.82Å; V88-W106 HydrophobicContact CG2-CB 4.36Å; V88-W106 HydrophobicContact CG2-CD2 4.16Å; V88-W106 HydrophobicContact CG2-CE3 3.8Å; V88-W106 HydrophobicContact CG2-CG 4.43Å; V88-W106 HydrophobicContact CG2-CZ3 4.45Å; L89-W106 CarbonylContact O-C 3.47Å; L89-W106 VanDerWaalsContact O-CA 3.29Å; L89-W106 WeakPolarHBondContact O-CA 3.38Å; W106-K130 WeakPolarHBondContact O-CA 3.17Å; W106-I131 HydrophobicContact CB-CD1 4.45Å; W106-I131 HydrophobicContact CB-CG1 4.01Å; W106-I131 PolarHBondContact O-N 3.49Å; W106-N133 HydrophobicContact CB-CB 4.22Å; W106-N133 HydrophobicContact CD2-CB 3.84Å; W106-N133 HydrophobicContact CE3-CB 4.44Å; W106-N133 HydrophobicContact CG-CB 3.7Å; W106-L135 VanDerWaalsContact CZ3-O 3.29Å; W106-L135 WeakPolarHBondContact CZ3-O 3.36Å; W106-I137 HydrophobicContact CH2-CD1 4.21Å; W106-A140 HydrophobicContact CE3-CB 3.76Å; W106-A140 HydrophobicContact CZ3-CB 3.7Å
107A98.7Very high96.5Very high0 Ų038.5 Ų38.50%022%0.223CC..EExtended strand (participates in β ladder)trans-136.6157.7177.100000111.5L89 L128 I129L89-A107 WeakPolarHBondContact CB-O 3.46Å; L89-A107 PolarHBondContact N-O 3.47Å; L89-A107 PolarHBondContact O-N 2.8Å; A107-L128 HydrophobicContact CB-CB 4.24Å; A107-I129 CarbonylContact C-O 3.15Å; A107-I129 WeakPolarHBondContact CA-O 3.25Å
108I98.5Very high96.5Very high1 Ų136 Ų361%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-117.5151.1168.461.3178.2000109.8I129 I131 L143 A144 L308I108-I129 HydrophobicContact CG1-CB 3.86Å; I108-I129 HydrophobicContact CG1-CG2 4.31Å; I108-I129 PolarHBondContact N-O 3.36Å; I108-I129 PolarHBondContact O-N 3.48Å; I108-I131 HydrophobicContact CD1-CG2 3.99Å; I108-I131 HydrophobicContact CG1-CG2 4.01Å; I108-I131 HydrophobicContact CG2-CD1 3.67Å; I108-I131 HydrophobicContact CG2-CG1 4.21Å; I108-I131 HydrophobicContact CG2-CG2 4.27Å; I108-L143 HydrophobicContact CD1-CD2 4.45Å; I108-A144 HydrophobicContact CD1-CB 4.04Å; I108-L308 HydrophobicContact CD1-CD1 4.2Å; I108-L308 HydrophobicContact CD1-CD2 4Å
109P97.6Very high96.4Very high4 Ų436.4 Ų36.43%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-60.7139.5172.3-23.533.5000112.9G87 L89 F114 T116G87-P109 VanDerWaalsContact O-CD 3.26Å; G87-P109 WeakPolarHBondContact O-CD 3.17Å; L89-P109 HydrophobicContact CD1-CG 4.33Å; P109-F114 HydrophobicContact CB-CB 3.71Å; P109-F114 HydrophobicContact CB-CD1 3.9Å; P109-F114 HydrophobicContact CB-CD2 3.77Å; P109-F114 HydrophobicContact CB-CE1 4.4Å; P109-F114 HydrophobicContact CB-CE2 4.29Å; P109-F114 HydrophobicContact CB-CG 3.53Å; P109-F114 HydrophobicContact CG-CB 4.19Å; P109-F114 HydrophobicContact CG-CD1 3.59Å; P109-F114 HydrophobicContact CG-CD2 4.32Å; P109-F114 HydrophobicContact CG-CE1 3.92Å; P109-F114 HydrophobicContact CG-CG 3.8Å; P109-F114 HydrophobicContact CG-CZ 4.41Å; P109-T116 HydrophobicContact CG-CG2 3.5Å
110S95.4Very high96.5Very high34 Ų3426.8 Ų26.824%0.23817%0.174CC..SBendtrans-83-49.7168.9-174.60000113.1D127 R304S110-D127 WeakPolarHBondContact CB-O 3.41Å; S110-D127 PolarHBondContact N-O 2.75Å; S110-R304 PolarHBondContact O-NH2 2.81Å; S110-R304 VanDerWaalsContact O-NH2 3.15Å; S110-R304 PolarHBondContact OG-NH1 2.79Å
111P92.7Very high96.5Very high44 Ų4423.9 Ų23.929%0.28616%0.159SC..SBendtrans-82.6144.6-178.732.8-34000112.2G113 F114 D127P111-G113 VanDerWaalsContact C-N 3.26Å; P111-G113 PolarHBondContact O-N 2.89Å; P111-F114 HydrophobicContact CG-CB 4.26Å; P111-F114 HydrophobicContact CG-CD2 3.95Å; P111-F114 WeakPolarHBondContact O-CB 3.44Å; P111-F114 PolarHBondContact O-N 2.9Å; P111-D127 HydrophobicContact CG-CB 4.28Å
112A86.1Confident96.5Very high15 Ų1525.6 Ų25.612%0.12417%0.168CC..THydrogen-bonded Turntrans-68.7-21.9176.700000113.8M85 F114 T292M85-A112 WeakPolarHBondContact CA-O 3.39Å; M85-A112 WeakPolarHBondContact CB-O 3.24Å; M85-A112 WeakPolarHBondContact CG-O 3.38Å; M85-A112 HydrophobicContact SD-CB 3.99Å; A112-F114 VanDerWaalsContact C-N 3.32Å; A112-F114 PolarHBondContact O-N 2.87Å; A112-T292 HydrophobicContact CB-CG2 3.43Å; A112-T292 VanDerWaalsContact CB-CG2 3.43Å
113G87.9Confident96.5Very high47 Ų4723.5 Ų23.549%0.48515%0.15SC..THydrogen-bonded Turntrans-91.623.2179.200000114.3P111 G115P111-G113 VanDerWaalsContact C-N 3.26Å; P111-G113 PolarHBondContact O-N 2.89Å; G113-G115 VanDerWaalsContact C-N 3.31Å; G113-G115 PolarHBondContact O-N 3.48Å
114F95.2Very high96.4Very high19 Ų1921.5 Ų21.58%0.08314%0.139CC..SBendtrans-64.9-32.4-170.7-168.3-96.7000113.7Y54 L89 P109 P111 A112 T116 R118 A123 D127 L128Y54-F114 HydrophobicContact CD1-CZ 4.4Å; Y54-F114 HydrophobicContact CE1-CE1 4.12Å; Y54-F114 AromaticContact CE1-CZ 3.56Å; Y54-F114 HydrophobicContact CE1-CZ 3.56Å; Y54-F114 AromaticContact CE2-CE1 3.86Å; Y54-F114 HydrophobicContact CE2-CE1 3.86Å; Y54-F114 HydrophobicContact CE2-CZ 4.13Å; Y54-F114 AromaticContact CZ-CE1 3.46Å; Y54-F114 VanDerWaalsContact CZ-CE1 3.46Å; Y54-F114 AromaticContact CZ-CZ 3.4Å; Y54-F114 VanDerWaalsContact CZ-CZ 3.4Å; Y54-F114 WeakPolarHBondContact OH-CE1 3.28Å; Y54-F114 VanDerWaalsContact OH-CZ 3.31Å; Y54-F114 WeakPolarHBondContact OH-CZ 3.4Å; L89-F114 HydrophobicContact CD1-CE1 3.8Å; L89-F114 HydrophobicContact CD1-CZ 3.65Å; L89-F114 HydrophobicContact CD2-CE1 4.26Å; P109-F114 HydrophobicContact CB-CB 3.71Å; P109-F114 HydrophobicContact CB-CD1 3.9Å; P109-F114 HydrophobicContact CB-CD2 3.77Å; P109-F114 HydrophobicContact CB-CE1 4.4Å; P109-F114 HydrophobicContact CB-CE2 4.29Å; P109-F114 HydrophobicContact CB-CG 3.53Å; P109-F114 HydrophobicContact CG-CB 4.19Å; P109-F114 HydrophobicContact CG-CD1 3.59Å; P109-F114 HydrophobicContact CG-CD2 4.32Å; P109-F114 HydrophobicContact CG-CE1 3.92Å; P109-F114 HydrophobicContact CG-CG 3.8Å; P109-F114 HydrophobicContact CG-CZ 4.41Å; P111-F114 HydrophobicContact CG-CB 4.26Å; P111-F114 HydrophobicContact CG-CD2 3.95Å; P111-F114 WeakPolarHBondContact O-CB 3.44Å; P111-F114 PolarHBondContact O-N 2.9Å; A112-F114 VanDerWaalsContact C-N 3.32Å; A112-F114 PolarHBondContact O-N 2.87Å; F114-T116 HydrophobicContact CD1-CG2 3.72Å; F114-T116 HydrophobicContact CE1-CG2 4.42Å; F114-R118 PolarHBondContact O-NH2 3.15Å; F114-A123 HydrophobicContact CE2-CB 3.73Å; F114-A123 HydrophobicContact CZ-CB 4Å; F114-D127 HydrophobicContact CE2-CB 4.32Å; F114-L128 HydrophobicContact CE2-CD2 3.88Å; F114-L128 HydrophobicContact CZ-CD2 3.83Å
115G97.1Very high96.5Very high2 Ų222 Ų222%0.02113%0.131CC..  trans72.867.6-176.200000111.5V82 G83 G84 G113 W117 R118V82-G115 VanDerWaalsContact O-CA 3.31Å; V82-G115 WeakPolarHBondContact O-CA 3.45Å; G83-G115 CarbonylContact O-C 3.5Å; G83-G115 VanDerWaalsContact O-CA 3.25Å; G83-G115 WeakPolarHBondContact O-CA 3.31Å; G84-G115 CarbonylContact O-C 3.51Å; G84-G115 WeakPolarHBondContact O-CA 3.36Å; G84-G115 PolarHBondContact O-N 3.21Å; G113-G115 VanDerWaalsContact C-N 3.31Å; G113-G115 PolarHBondContact O-N 3.48Å; G115-W117 VanDerWaalsContact C-N 3.28Å; G115-W117 PolarHBondContact O-N 2.98Å; G115-R118 VanDerWaalsContact O-CZ 3.3Å; G115-R118 PolarHBondContact O-NE 2.89Å; G115-R118 PolarHBondContact O-NH2 3.18Å
116T98Very high96.4Very high0 Ų026.2 Ų26.20%016%0.158CC..  trans-76.5-8.3-176.953.20000114.4G83 G84 E86 P109 F114 R118G83-T116 PolarHBondContact O-N 3.2Å; G83-T116 VanDerWaalsContact O-N 3.16Å; G84-T116 VanDerWaalsContact C-OG1 3.27Å; G84-T116 WeakPolarHBondContact CA-OG1 3.27Å; G84-T116 PolarHBondContact O-N 3.35Å; G84-T116 PolarHBondContact O-OG1 3.19Å; E86-T116 PolarHBondContact N-OG1 2.87Å; E86-T116 PolarHBondContact O-OG1 3.46Å; P109-T116 HydrophobicContact CG-CG2 3.5Å; F114-T116 HydrophobicContact CD1-CG2 3.72Å; F114-T116 HydrophobicContact CE1-CG2 4.42Å; T116-R118 PolarHBondContact O-N 2.92Å
117W98.2Very high96.3Very high0 Ų026.8 Ų26.80%016%0.164CC..  trans-81.158179.2-59.1-6.1000111.7Q24 L25 T60 I61 D65 I69 V82 G83 G84 G115 I337 L350Q24-W117 CarbonylContact C-O 3.59Å; Q24-W117 WeakPolarHBondContact CA-O 3.39Å; L25-W117 HydrophobicContact CB-CB 3.88Å; L25-W117 HydrophobicContact CB-CE3 4.13Å; L25-W117 HydrophobicContact CD1-CB 4.01Å; L25-W117 HydrophobicContact CD1-CD2 4.38Å; L25-W117 HydrophobicContact CD1-CE3 4.04Å; L25-W117 HydrophobicContact CD1-CG 4.41Å; L25-W117 HydrophobicContact CG-CB 4.1Å; L25-W117 PolarHBondContact N-O 2.85Å; T60-W117 PolarHBondContact O-NE1 3.36Å; I61-W117 HydrophobicContact CB-CZ2 4.05Å; I61-W117 HydrophobicContact CD1-CZ2 4.34Å; I61-W117 HydrophobicContact CG1-CH2 4.49Å; I61-W117 HydrophobicContact CG1-CZ2 3.78Å; I61-W117 HydrophobicContact CG2-CH2 4Å; I61-W117 HydrophobicContact CG2-CZ2 3.73Å; D65-W117 HydrophobicContact CB-CH2 3.86Å; D65-W117 HydrophobicContact CB-CZ2 3.57Å; I69-W117 HydrophobicContact CD1-CH2 3.77Å; I69-W117 HydrophobicContact CD1-CZ3 3.56Å; V82-W117 HydrophobicContact CG1-CB 4.47Å; G83-W117 VanDerWaalsContact C-CD2 3.48Å; G83-W117 VanDerWaalsContact C-CG 3.49Å; G83-W117 WeakPolarHBondContact O-CB 3.29Å; G83-W117 VanDerWaalsContact O-CG 3.25Å; G83-W117 PolarHBondContact O-N 2.84Å; G84-W117 VanDerWaalsContact CA-CD1 3.48Å; G84-W117 VanDerWaalsContact CA-NE1 3.29Å; G115-W117 VanDerWaalsContact C-N 3.28Å; G115-W117 PolarHBondContact O-N 2.98Å; W117-I337 HydrophobicContact CE3-CD1 4.43Å; W117-I337 HydrophobicContact CH2-CD1 4.33Å; W117-I337 HydrophobicContact CH2-CG1 4.3Å; W117-I337 HydrophobicContact CZ3-CD1 3.76Å; W117-I337 HydrophobicContact CZ3-CG1 4.22Å; W117-L350 HydrophobicContact CD2-CD1 4.41Å; W117-L350 HydrophobicContact CG-CD1 4.11Å
118R97.9Very high96.3Very high37 Ų3727 Ų2714%0.1417%0.165CC..BIsolated β-bridgetrans-143.4155.5176.369.8-175.984.2-15713.8110.1Q23 Q24 V56 V82 F114 G115 T116 D120 F352Q23-R118 CarbonylContact O-C 3.55Å; Q23-R118 VanDerWaalsContact O-CA 3.24Å; Q23-R118 WeakPolarHBondContact O-CA 3.39Å; Q24-R118 HydrophobicContact CB-CB 3.56Å; V56-R118 WeakPolarHBondContact CB-O 3.48Å; V56-R118 HydrophobicContact CG2-CG 4.05Å; V56-R118 WeakPolarHBondContact CG2-O 3.48Å; V82-R118 HydrophobicContact CG1-CB 4.4Å; F114-R118 PolarHBondContact O-NH2 3.15Å; G115-R118 VanDerWaalsContact O-CZ 3.3Å; G115-R118 PolarHBondContact O-NE 2.89Å; G115-R118 PolarHBondContact O-NH2 3.18Å; T116-R118 PolarHBondContact O-N 2.92Å; R118-D120 WeakPolarHBondContact CD-O 3.44Å; R118-D120 WeakPolarHBondContact CG-O 3.27Å; R118-F352 WeakPolarHBondContact O-CE1 3.42Å
119T97.7Very high96.3Very high23 Ų2327.8 Ų27.814%0.14117%0.169CC..SBendtrans-73.2-44.7178.240.30000111.9Q23 K55 V56 F330 F352Q23-T119 HydrophobicContact CB-CG2 4.07Å; Q23-T119 HydrophobicContact CG-CG2 4.47Å; Q23-T119 PolarHBondContact N-OG1 2.87Å; Q23-T119 PolarHBondContact O-N 3.37Å; Q23-T119 PolarHBondContact O-OG1 3.42Å; K55-T119 CarbonylContact C-O 3.48Å; K55-T119 WeakPolarHBondContact CA-O 3.34Å; V56-T119 PolarHBondContact N-O 2.61Å; T119-F330 HydrophobicContact CG2-CD1 4.29Å; T119-F330 HydrophobicContact CG2-CE1 4.16Å; T119-F352 HydrophobicContact CG2-CD1 3.82Å
120D97.5Very high96.3Very high23 Ų2331.3 Ų31.312%0.12318%0.184CC..EExtended strand (participates in β ladder)trans-138.4158.3-176.9-59.7-105.7000109.9I20 A22 L44 Y54 K55 R118I20-D120 HydrophobicContact CG2-CB 4.31Å; A22-D120 HydrophobicContact CB-CB 4.01Å; L44-D120 HydrophobicContact CD1-CB 3.76Å; Y54-D120 CarbonylContact O-C 3.59Å; Y54-D120 VanDerWaalsContact O-CA 3.29Å; Y54-D120 WeakPolarHBondContact O-CA 3.35Å; K55-D120 WeakPolarHBondContact CG-OD1 3.48Å; R118-D120 WeakPolarHBondContact CD-O 3.44Å; R118-D120 WeakPolarHBondContact CG-O 3.27Å
121G97.4Very high96.4Very high1 Ų130.4 Ų30.41%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-164.4175.6173.100000113.4R53 Y54R53-G121 WeakPolarHBondContact CA-O 3.46Å; Y54-G121 WeakPolarHBondContact CD1-O 2.99Å; Y54-G121 VanDerWaalsContact CZ-CA 3.48Å; Y54-G121 PolarHBondContact N-O 3.4Å; Y54-G121 PolarHBondContact O-N 3.15Å
122I98.1Very high96.7Very high44 Ų4429.8 Ų29.823%0.22617%0.173CC..EExtended strand (participates in β ladder)trans-125.7134.6175.1-61.6169.8000106.9L44 Q45 I47 E51 V52 R53L44-I122 HydrophobicContact CB-CD1 4.17Å; Q45-I122 WeakPolarHBondContact O-CD1 3.21Å; I47-I122 HydrophobicContact CG2-CB 4.47Å; I47-I122 HydrophobicContact CG2-CD1 3.81Å; I47-I122 HydrophobicContact CG2-CG1 3.82Å; I47-I122 HydrophobicContact CG2-CG2 3.86Å; E51-I122 HydrophobicContact CB-CG2 3.87Å; E51-I122 HydrophobicContact CG-CG2 4.16Å; E51-I122 WeakPolarHBondContact OE2-CG2 3.43Å; V52-I122 WeakPolarHBondContact O-CA 3.32Å; R53-I122 HydrophobicContact CB-CG1 4.41Å; R53-I122 HydrophobicContact CG-CG1 4.32Å
123A98.1Very high97.2Very high5 Ų533.6 Ų33.64%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-141.315317600000110.9E51 V52 Y54 F114 D127 L128E51-A123 CarbonylContact C-O 3.6Å; E51-A123 WeakPolarHBondContact CA-O 3.46Å; V52-A123 PolarHBondContact N-O 3.17Å; V52-A123 PolarHBondContact O-N 3.17Å; Y54-A123 HydrophobicContact CD1-CB 4.44Å; Y54-A123 HydrophobicContact CE1-CB 3.73Å; F114-A123 HydrophobicContact CE2-CB 3.73Å; F114-A123 HydrophobicContact CZ-CB 4Å; A123-D127 HydrophobicContact CB-CB 4.41Å; A123-L128 HydrophobicContact CB-CD2 4.38Å
124P98.2Very high97.6Very high57 Ų5739.8 Ų39.837%0.3720%0.2SC..EExtended strand (participates in β ladder)trans-55142.9165.8-22.433.5000110.5T126 D127P124-T126 PolarHBondContact O-N 2.71Å; P124-T126 VanDerWaalsContact O-N 3.11Å; P124-D127 WeakPolarHBondContact O-CB 3.12Å; P124-D127 PolarHBondContact O-N 3.38Å
125R98.1Very high97.8Very high42 Ų4239.1 Ų39.116%0.15820%0.197CC..G310 helixtrans-52.9-36.3176.8171.256.3-17288.7-9.3112.6D50 V52 V98 D100 L101 D127 L128D50-R125 WeakPolarHBondContact O-CB 3.48Å; D50-R125 PolarHBondContact O-N 3.18Å; V52-R125 HydrophobicContact CG2-CB 4.39Å; V98-R125 HydrophobicContact CG1-CB 4.45Å; V98-R125 HydrophobicContact CG1-CG 4.02Å; V98-R125 HydrophobicContact CG2-CB 3.81Å; V98-R125 HydrophobicContact CG2-CG 4.18Å; D100-R125 IonicContact OD1-CZ 3.3Å; D100-R125 IonicContact OD1-NE 2.84Å; D100-R125 PolarHBondContact OD1-NE 2.83Å; D100-R125 IonicContact OD1-NH2 2.61Å; D100-R125 PolarHBondContact OD1-NH2 3.34Å; D100-R125 VanDerWaalsContact OD1-NH2 3.09Å; D100-R125 IonicContact OD2-CZ 3.26Å; D100-R125 VanDerWaalsContact OD2-CZ 3.3Å; D100-R125 IonicContact OD2-NE 3.96Å; D100-R125 IonicContact OD2-NH2 3.53Å; D100-R125 PolarHBondContact OD2-NH2 3.33Å; L101-R125 VanDerWaalsContact CD1-CD 3.4Å; L101-R125 VanDerWaalsContact CD1-NE 3.33Å; R125-D127 PolarHBondContact O-N 2.89Å; R125-D127 VanDerWaalsContact O-N 3.16Å; R125-L128 PolarHBondContact NH1-O 2.8Å; R125-L128 PolarHBondContact O-N 3.14Å; R125-L128 VanDerWaalsContact O-N 3.14Å
126T96.5Very high97.8Very high112 Ų11241.5 Ų41.569%0.68721%0.214SC*.G310 helixtrans-62-20.3-179.851.30000114P124 L128P124-T126 PolarHBondContact O-N 2.71Å; P124-T126 VanDerWaalsContact O-N 3.11Å; T126-L128 VanDerWaalsContact C-N 3.29Å
127D97.4Very high97.7Very high53 Ų5344 Ų4428%0.28323%0.226SC..G310 helixtrans-88-1.6-178.6-71.58.8000112.5S110 P111 F114 A123 P124 R125S110-D127 WeakPolarHBondContact CB-O 3.41Å; S110-D127 PolarHBondContact N-O 2.75Å; P111-D127 HydrophobicContact CG-CB 4.28Å; F114-D127 HydrophobicContact CE2-CB 4.32Å; A123-D127 HydrophobicContact CB-CB 4.41Å; P124-D127 WeakPolarHBondContact O-CB 3.12Å; P124-D127 PolarHBondContact O-N 3.38Å; R125-D127 PolarHBondContact O-N 2.89Å; R125-D127 VanDerWaalsContact O-N 3.16Å
128L98.3Very high97.7Very high4 Ų444.2 Ų44.22%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-115136.8-175.7-57.7-174.2000111.7V52 L89 L101 A107 F114 A123 R125 T126V52-L128 HydrophobicContact CB-CD1 3.65Å; V52-L128 HydrophobicContact CG1-CD1 3.68Å; V52-L128 HydrophobicContact CG2-CD1 4.1Å; L89-L128 HydrophobicContact CD1-CD2 3.56Å; L101-L128 HydrophobicContact CD1-CB 4.17Å; L101-L128 HydrophobicContact CD1-CD1 4.14Å; A107-L128 HydrophobicContact CB-CB 4.24Å; F114-L128 HydrophobicContact CE2-CD2 3.88Å; F114-L128 HydrophobicContact CZ-CD2 3.83Å; A123-L128 HydrophobicContact CB-CD2 4.38Å; R125-L128 PolarHBondContact NH1-O 2.8Å; R125-L128 PolarHBondContact O-N 3.14Å; R125-L128 VanDerWaalsContact O-N 3.14Å; T126-L128 VanDerWaalsContact C-N 3.29Å
129I97.9Very high97.7Very high17 Ų1743.8 Ų43.89%0.08723%0.227CC..EExtended strand (participates in β ladder)trans-116.3111.5174.7-61177000108.3A107 I108 I131 R304 L308A107-I129 CarbonylContact C-O 3.15Å; A107-I129 WeakPolarHBondContact CA-O 3.25Å; I108-I129 HydrophobicContact CG1-CB 3.86Å; I108-I129 HydrophobicContact CG1-CG2 4.31Å; I108-I129 PolarHBondContact N-O 3.36Å; I108-I129 PolarHBondContact O-N 3.48Å; I129-I131 PolarHBondContact O-N 3.44Å; I129-R304 VanDerWaalsContact CD1-NH2 3.33Å; I129-L308 HydrophobicContact CD1-CD1 4.41Å; I129-L308 HydrophobicContact CG2-CD1 3.7Å
130K98.3Very high97.7Very high79 Ų7942.7 Ų42.734%0.34322%0.221SC..EExtended strand (participates in β ladder)trans-57.4133.9171.7-169.9175-179.9151.90110.6L101 D105 W106 R305L101-K130 HydrophobicContact CD2-CB 3.74Å; L101-K130 HydrophobicContact CD2-CD 4.03Å; L101-K130 HydrophobicContact CD2-CG 3.91Å; D105-K130 VanDerWaalsContact CG-CE 3.42Å; D105-K130 WeakPolarHBondContact OD1-CE 3.3Å; D105-K130 IonicContact OD1-NZ 3.2Å; D105-K130 PolarHBondContact OD1-NZ 2.92Å; D105-K130 WeakPolarHBondContact OD2-CE 3.22Å; D105-K130 IonicContact OD2-NZ 3.88Å; D105-K130 PolarHBondContact OD2-NZ 2.88Å; W106-K130 WeakPolarHBondContact O-CA 3.17Å; K130-R305 PolarHBondContact O-NH1 3.17Å
131I98.2Very high97.7Very high15 Ų1541.6 Ų41.68%0.07722%0.215CC..EExtended strand (participates in β ladder)trans-131.1170175.357.9154.9000110.6V88 W106 I108 I129 N133 L135 A140 L143V88-I131 HydrophobicContact CG2-CD1 4.1Å; W106-I131 HydrophobicContact CB-CD1 4.45Å; W106-I131 HydrophobicContact CB-CG1 4.01Å; W106-I131 PolarHBondContact O-N 3.49Å; I108-I131 HydrophobicContact CD1-CG2 3.99Å; I108-I131 HydrophobicContact CG1-CG2 4.01Å; I108-I131 HydrophobicContact CG2-CD1 3.67Å; I108-I131 HydrophobicContact CG2-CG1 4.21Å; I108-I131 HydrophobicContact CG2-CG2 4.27Å; I129-I131 PolarHBondContact O-N 3.44Å; I131-N133 PolarHBondContact O-N 3.3Å; I131-L135 HydrophobicContact CD1-CD1 4.35Å; I131-A140 HydrophobicContact CD1-CB 3.69Å; I131-L143 HydrophobicContact CG2-CD2 4.04Å
132S97.8Very high97.7Very high31 Ų3142.2 Ų42.222%0.21722%0.219CC..  trans-71.4128.6177.2-170.90000111.3R134S132-R134 PolarHBondContact O-N 2.85Å; S132-R134 WeakPolarHBondContact OG-CB 3.46Å; S132-R134 PolarHBondContact OG-N 3.09Å
133N96.6Very high97.7Very high94 Ų9440.2 Ų40.250%0.50321%0.209SC..THydrogen-bonded Turntrans-77.22.717065.3-2.3000113.6W106 I131 L135W106-N133 HydrophobicContact CB-CB 4.22Å; W106-N133 HydrophobicContact CD2-CB 3.84Å; W106-N133 HydrophobicContact CE3-CB 4.44Å; W106-N133 HydrophobicContact CG-CB 3.7Å; I131-N133 PolarHBondContact O-N 3.3Å; N133-L135 VanDerWaalsContact C-N 3.32Å
134R97.8Very high97.6Very high178 Ų17840.5 Ų40.567%0.67221%0.21SC*.THydrogen-bonded Turntrans-81.6-13.5171.6-60.5-169.4-61.4-176.80.6113S132 L316S132-R134 PolarHBondContact O-N 2.85Å; S132-R134 WeakPolarHBondContact OG-CB 3.46Å; S132-R134 PolarHBondContact OG-N 3.09Å; R134-L316 HydrophobicContact CB-CD2 3.74Å; R134-L316 WeakPolarHBondContact O-CD2 3.35Å
135L98.1Very high97.5Very high5 Ų539.5 Ų39.53%0.02620%0.204CC..SBendtrans-67.3148.3174-68172.6000109.7W106 I131 N133 Q139 A140 L143 T312 L316W106-L135 VanDerWaalsContact CZ3-O 3.29Å; W106-L135 WeakPolarHBondContact CZ3-O 3.36Å; I131-L135 HydrophobicContact CD1-CD1 4.35Å; N133-L135 VanDerWaalsContact C-N 3.32Å; L135-Q139 HydrophobicContact CB-CB 4.25Å; L135-Q139 HydrophobicContact CD2-CB 4.21Å; L135-A140 HydrophobicContact CB-CB 4.14Å; L135-A140 HydrophobicContact CD1-CB 4.37Å; L135-L143 HydrophobicContact CD1-CD2 4.33Å; L135-T312 HydrophobicContact CD1-CG2 4.05Å; L135-T312 HydrophobicContact CD2-CG2 3.99Å; L135-T312 HydrophobicContact CG-CG2 4.08Å; L135-L316 HydrophobicContact CD2-CD2 3.98Å; L135-L316 HydrophobicContact CD2-CG 4.11Å
136S97.4Very high97.4Very high52 Ų5238.4 Ų38.436%0.36420%0.201SC..  trans-61.8155.2163.864.30000110.4V138 Q139 A140S136-V138 PolarHBondContact O-N 2.95Å; S136-V138 VanDerWaalsContact O-N 3.16Å; S136-Q139 VanDerWaalsContact N-OE1 3.1Å; S136-Q139 PolarHBondContact O-N 3.44Å; S136-Q139 VanDerWaalsContact O-N 3.12Å; S136-Q139 WeakPolarHBondContact OG-CB 3.23Å; S136-Q139 VanDerWaalsContact OG-CD 3.23Å; S136-Q139 WeakPolarHBondContact OG-CG 3.37Å; S136-Q139 PolarHBondContact OG-N 2.92Å; S136-Q139 PolarHBondContact OG-OE1 2.63Å; S136-A140 PolarHBondContact O-N 3.13Å
137I96.9Very high97.5Very high51 Ų5133.4 Ų33.426%0.26217%0.17SC..Hα-helixtrans-54.8-37.6179.2-169.169.8000112.4M57 A58 V88 W106 A141M57-I137 HydrophobicContact CB-CD1 3.44Å; M57-I137 VanDerWaalsContact CB-CD1 3.44Å; M57-I137 HydrophobicContact CE-CD1 3.97Å; M57-I137 HydrophobicContact CG-CD1 4.4Å; M57-I137 HydrophobicContact SD-CD1 4.15Å; A58-I137 HydrophobicContact CB-CD1 4.11Å; A58-I137 HydrophobicContact CB-CG1 3.7Å; V88-I137 HydrophobicContact CG1-CD1 3.37Å; V88-I137 HydrophobicContact CG1-CG1 4.21Å; W106-I137 HydrophobicContact CH2-CD1 4.21Å; I137-A141 WeakPolarHBondContact O-CB 3.37Å; I137-A141 PolarHBondContact O-N 3.22Å
138V97.4Very high97.6Very high6 Ų630.9 Ų30.94%0.03616%0.157CC..Hα-helixtrans-69.2-44.7179.6173.90000111.6S136 A140 A141 T142 P322 Y325 L327 I349S136-V138 PolarHBondContact O-N 2.95Å; S136-V138 VanDerWaalsContact O-N 3.16Å; V138-A140 VanDerWaalsContact C-N 3.35Å; V138-A141 PolarHBondContact O-N 3.02Å; V138-T142 WeakPolarHBondContact O-CB 3.27Å; V138-T142 WeakPolarHBondContact O-CG2 3.3Å; V138-T142 PolarHBondContact O-N 3.25Å; V138-T142 VanDerWaalsContact O-N 3.16Å; V138-T142 PolarHBondContact O-OG1 2.99Å; V138-P322 HydrophobicContact CG1-CB 3.79Å; V138-P322 HydrophobicContact CG1-CG 4.15Å; V138-Y325 HydrophobicContact CB-CE1 4.48Å; V138-Y325 HydrophobicContact CG1-CD1 3.73Å; V138-Y325 HydrophobicContact CG1-CD2 4.42Å; V138-Y325 HydrophobicContact CG1-CE1 3.88Å; V138-Y325 HydrophobicContact CG1-CG 4.04Å; V138-Y325 HydrophobicContact CG2-CD2 4.06Å; V138-Y325 HydrophobicContact CG2-CE1 4.27Å; V138-Y325 HydrophobicContact CG2-CE2 3.7Å; V138-Y325 HydrophobicContact CG2-CG 4.49Å; V138-L327 HydrophobicContact CG2-CD2 3.84Å; V138-I349 HydrophobicContact CB-CD1 4.37Å; V138-I349 HydrophobicContact CG1-CD1 3.71Å; V138-I349 HydrophobicContact CG2-CD1 4.2Å
139Q98Very high97.6Very high27 Ų2731.3 Ų31.313%0.12616%0.159CC..Hα-helixtrans-62.9-45.3177.6-73.8166.1-42.600110.5L135 S136 T142 L143 S315 P322L135-Q139 HydrophobicContact CB-CB 4.25Å; L135-Q139 HydrophobicContact CD2-CB 4.21Å; S136-Q139 VanDerWaalsContact N-OE1 3.1Å; S136-Q139 PolarHBondContact O-N 3.44Å; S136-Q139 VanDerWaalsContact O-N 3.12Å; S136-Q139 WeakPolarHBondContact OG-CB 3.23Å; S136-Q139 VanDerWaalsContact OG-CD 3.23Å; S136-Q139 WeakPolarHBondContact OG-CG 3.37Å; S136-Q139 PolarHBondContact OG-N 2.92Å; S136-Q139 PolarHBondContact OG-OE1 2.63Å; Q139-T142 PolarHBondContact O-N 3.18Å; Q139-L143 WeakPolarHBondContact O-CB 3.42Å; Q139-L143 PolarHBondContact O-N 3.02Å; Q139-S315 PolarHBondContact NE2-O 3.47Å; Q139-S315 VanDerWaalsContact NE2-O 3.14Å; Q139-P322 HydrophobicContact CG-CG 3.91Å
140A98.2Very high97.6Very high0 Ų030.5 Ų30.50%016%0.155CC..Hα-helixtrans-63.5-45.717800000112V88 W106 I131 L135 S136 V138 T142 L143V88-A140 HydrophobicContact CB-CB 3.86Å; V88-A140 HydrophobicContact CG1-CB 4.17Å; V88-A140 HydrophobicContact CG2-CB 3.63Å; W106-A140 HydrophobicContact CE3-CB 3.76Å; W106-A140 HydrophobicContact CZ3-CB 3.7Å; I131-A140 HydrophobicContact CD1-CB 3.69Å; L135-A140 HydrophobicContact CB-CB 4.14Å; L135-A140 HydrophobicContact CD1-CB 4.37Å; S136-A140 PolarHBondContact O-N 3.13Å; V138-A140 VanDerWaalsContact C-N 3.35Å; A140-T142 PolarHBondContact O-N 3.18Å; A140-L143 PolarHBondContact O-N 3.44Å
141A97.7Very high97.7Very high1 Ų127.6 Ų27.61%0.00814%0.142CC..Hα-helixtrans-67.7-20.4-177.700000113.9A58 T60 E86 V88 I137 V138 I349A58-A141 HydrophobicContact CB-CB 3.84Å; T60-A141 VanDerWaalsContact CG2-O 3.28Å; T60-A141 WeakPolarHBondContact CG2-O 3.37Å; E86-A141 WeakPolarHBondContact CG-O 3.24Å; V88-A141 HydrophobicContact CB-CB 4.4Å; V88-A141 HydrophobicContact CG1-CB 3.86Å; I137-A141 WeakPolarHBondContact O-CB 3.37Å; I137-A141 PolarHBondContact O-N 3.22Å; V138-A141 PolarHBondContact O-N 3.02Å; A141-I349 HydrophobicContact CB-CG2 4.41Å
142T97.3Very high97.7Very high14 Ų1427.6 Ų27.69%0.08614%0.141CC..Hα-helixtrans-110.10.7-175.358.10000113.7T60 V138 Q139 A140 A144 P147 I349T60-T142 HydrophobicContact CG2-CG2 3.69Å; V138-T142 WeakPolarHBondContact O-CB 3.27Å; V138-T142 WeakPolarHBondContact O-CG2 3.3Å; V138-T142 PolarHBondContact O-N 3.25Å; V138-T142 VanDerWaalsContact O-N 3.16Å; V138-T142 PolarHBondContact O-OG1 2.99Å; Q139-T142 PolarHBondContact O-N 3.18Å; A140-T142 PolarHBondContact O-N 3.18Å; T142-A144 PolarHBondContact O-N 2.98Å; T142-P147 WeakPolarHBondContact O-CD 3.44Å; T142-P147 WeakPolarHBondContact O-CG 3.13Å; T142-I349 HydrophobicContact CG2-CD1 3.89Å
143L97.9Very high97.7Very high2 Ų226.1 Ų26.11%0.0113%0.131CC..THydrogen-bonded Turntrans-64.9-35.8-169.5-174.961.5000113.7I108 I131 L135 Q139 A140 S148 L308 L311I108-L143 HydrophobicContact CD1-CD2 4.45Å; I131-L143 HydrophobicContact CG2-CD2 4.04Å; L135-L143 HydrophobicContact CD1-CD2 4.33Å; Q139-L143 WeakPolarHBondContact O-CB 3.42Å; Q139-L143 PolarHBondContact O-N 3.02Å; A140-L143 PolarHBondContact O-N 3.44Å; L143-S148 PolarHBondContact O-OG 3.47Å; L143-L308 HydrophobicContact CD1-CD2 4.5Å; L143-L308 HydrophobicContact CD2-CD2 3.91Å; L143-L308 HydrophobicContact CG-CD2 3.78Å; L143-L311 HydrophobicContact CD1-CB 3.66Å; L143-L311 HydrophobicContact CD1-CD1 4.24Å
144A96.1Very high97.8Very high10 Ų1021.7 Ų21.78%0.08311%0.107CC..THydrogen-bonded Turntrans-78.3-27.7-162.900000114.3E86 I108 T142 S148E86-A144 HydrophobicContact CG-CB 4.44Å; E86-A144 PolarHBondContact OE1-N 3.07Å; E86-A144 VanDerWaalsContact OE1-N 3.17Å; I108-A144 HydrophobicContact CD1-CB 4.04Å; T142-A144 PolarHBondContact O-N 2.98Å; A144-S148 VanDerWaalsContact O-CB 3.31Å; A144-S148 WeakPolarHBondContact O-CB 3.4Å; A144-S148 PolarHBondContact O-OG 3.32Å
145V96Very high97.9Very high37 Ų3717.3 Ų17.322%0.2249%0.093CC..THydrogen-bonded Turntrans-111.5-71.1-171.5-178.10000110.7E86 T149E86-V145 HydrophobicContact CB-CG2 3.69Å; E86-V145 VanDerWaalsContact CD-CG2 3.48Å; E86-V145 HydrophobicContact CG-CG2 4.05Å; E86-V145 WeakPolarHBondContact OE1-CA 3.49Å; E86-V145 VanDerWaalsContact OE1-CB 3.25Å; E86-V145 WeakPolarHBondContact OE1-CB 3.29Å; E86-V145 WeakPolarHBondContact OE1-CG2 3.46Å; E86-V145 PolarHBondContact OE1-N 3.4Å; V145-T149 WeakPolarHBondContact O-CB 3.41Å; V145-T149 PolarHBondContact O-N 3.5Å; V145-T149 PolarHBondContact O-OG1 2.98Å
146N96.4Very high97.9Very high18 Ų1819.9 Ų19.910%0.09611%0.107CC..Hα-helixtrans-73.7-49.7-166.8-66.1-21.6000113.5S148 T149 A150 A174 V175 L178 K347N146-S148 VanDerWaalsContact C-N 3.32Å; N146-S148 PolarHBondContact O-N 3.24Å; N146-T149 PolarHBondContact O-N 3.01Å; N146-A150 PolarHBondContact O-N 3.24Å; N146-A174 HydrophobicContact CB-CB 4.5Å; N146-A174 VanDerWaalsContact ND2-CB 3.26Å; N146-A174 WeakPolarHBondContact ND2-CB 3.07Å; N146-V175 HydrophobicContact CB-CG2 3.99Å; N146-L178 HydrophobicContact CB-CD1 3.63Å; N146-K347 PolarHBondContact ND2-NZ 2.86Å
147P98.3Very high97.9Very high8 Ų818.8 Ų18.85%0.05210%0.096CC..Hα-helixtrans-63.1-40.8176.1-22.935.6000111.6T142 A150 Y151 L178 L311 L320T142-P147 WeakPolarHBondContact O-CD 3.44Å; T142-P147 WeakPolarHBondContact O-CG 3.13Å; P147-A150 PolarHBondContact O-N 3.35Å; P147-Y151 VanDerWaalsContact O-CB 3.28Å; P147-Y151 WeakPolarHBondContact O-CB 3.3Å; P147-Y151 PolarHBondContact O-N 3.36Å; P147-L178 HydrophobicContact CB-CD1 4.28Å; P147-L178 HydrophobicContact CG-CD1 3.78Å; P147-L178 HydrophobicContact CG-CD2 4.27Å; P147-L311 HydrophobicContact CB-CD1 3.98Å; P147-L311 HydrophobicContact CB-CD2 4.02Å; P147-L320 HydrophobicContact CB-CD2 4.39Å
148S98.5Very high98Very high0 Ų017.4 Ų17.40%09%0.089CC..Hα-helixtrans-61.6-45.2175.4-67.60000111.9L143 A144 N146 Y151 R152 M307L143-S148 PolarHBondContact O-OG 3.47Å; A144-S148 VanDerWaalsContact O-CB 3.31Å; A144-S148 WeakPolarHBondContact O-CB 3.4Å; A144-S148 PolarHBondContact O-OG 3.32Å; N146-S148 VanDerWaalsContact C-N 3.32Å; N146-S148 PolarHBondContact O-N 3.24Å; S148-Y151 PolarHBondContact O-N 2.83Å; S148-R152 WeakPolarHBondContact O-CB 3.26Å; S148-R152 VanDerWaalsContact O-CG 3.27Å; S148-R152 WeakPolarHBondContact O-CG 3.48Å; S148-R152 PolarHBondContact O-N 2.87Å; S148-M307 VanDerWaalsContact CB-CE 3.49Å; S148-M307 WeakPolarHBondContact OG-CE 2.94Å
149T98.5Very high98Very high12 Ų1223.9 Ų23.97%0.07412%0.124CC..Hα-helixtrans-60.7-50176.8-64.30000111.2V145 N146 Y151 R152 M153 V175 Y264 F289 M291V145-T149 WeakPolarHBondContact O-CB 3.41Å; V145-T149 PolarHBondContact O-N 3.5Å; V145-T149 PolarHBondContact O-OG1 2.98Å; N146-T149 PolarHBondContact O-N 3.01Å; T149-Y151 PolarHBondContact O-N 3.47Å; T149-R152 PolarHBondContact O-N 2.95Å; T149-M153 HydrophobicContact CG2-CE 3.82Å; T149-M153 HydrophobicContact CG2-SD 4.24Å; T149-M153 VanDerWaalsContact O-CG 3.31Å; T149-M153 WeakPolarHBondContact O-CG 3.44Å; T149-M153 PolarHBondContact O-N 2.86Å; T149-V175 HydrophobicContact CG2-CG1 4.09Å; T149-V175 HydrophobicContact CG2-CG2 4.32Å; T149-Y264 HydrophobicContact CG2-CD2 4.03Å; T149-F289 HydrophobicContact CG2-CD1 4.21Å; T149-F289 HydrophobicContact CG2-CE1 3.96Å; T149-M291 WeakPolarHBondContact OG1-CB 3.29Å
150A98.8Very high98Very high0 Ų023.3 Ų23.30%012%0.122CC..Hα-helixtrans-57.7-48.4177.100000111.4N146 P147 R152 M153 L154 V175 L178 V179 L182N146-A150 PolarHBondContact O-N 3.24Å; P147-A150 PolarHBondContact O-N 3.35Å; A150-R152 PolarHBondContact O-N 3.47Å; A150-M153 PolarHBondContact O-N 2.89Å; A150-L154 WeakPolarHBondContact O-CG 3.45Å; A150-L154 PolarHBondContact O-N 3.41Å; A150-L154 VanDerWaalsContact O-N 3.16Å; A150-V175 HydrophobicContact CB-CG1 4.19Å; A150-L178 HydrophobicContact CB-CB 3.89Å; A150-V179 HydrophobicContact CB-CG2 3.82Å; A150-L182 HydrophobicContact CB-CD1 3.82Å
151Y98.9Very high98Very high19 Ų1928.2 Ų28.28%0.07515%0.146CC..Hα-helixtrans-61.7-47.2-179-169.9-73.8000112.3P147 S148 T149 L154 K155 L182 F186 M307 V310 L311P147-Y151 VanDerWaalsContact O-CB 3.28Å; P147-Y151 WeakPolarHBondContact O-CB 3.3Å; P147-Y151 PolarHBondContact O-N 3.36Å; S148-Y151 PolarHBondContact O-N 2.83Å; T149-Y151 PolarHBondContact O-N 3.47Å; Y151-L154 PolarHBondContact O-N 2.86Å; Y151-K155 HydrophobicContact CD1-CB 4.41Å; Y151-K155 HydrophobicContact CD1-CG 3.9Å; Y151-K155 HydrophobicContact CE1-CB 4.15Å; Y151-K155 HydrophobicContact CE1-CG 3.46Å; Y151-K155 VanDerWaalsContact CE1-CG 3.46Å; Y151-K155 WeakPolarHBondContact O-CG 3.32Å; Y151-K155 PolarHBondContact O-N 3.07Å; Y151-K155 VanDerWaalsContact O-N 3.08Å; Y151-L182 HydrophobicContact CD2-CD2 4.35Å; Y151-F186 HydrophobicContact CD2-CZ 4.45Å; Y151-F186 AromaticContact CE2-CZ 3.97Å; Y151-F186 HydrophobicContact CE2-CZ 3.97Å; Y151-M307 HydrophobicContact CD1-CG 3.81Å; Y151-M307 HydrophobicContact CD1-SD 4.47Å; Y151-M307 HydrophobicContact CE1-CG 4.38Å; Y151-M307 HydrophobicContact CG-CG 4.03Å; Y151-V310 HydrophobicContact CE2-CB 4.14Å; Y151-V310 HydrophobicContact CE2-CG1 3.56Å; Y151-L311 HydrophobicContact CD2-CD2 3.86Å; Y151-L311 HydrophobicContact CD2-CG 4.18Å; Y151-L311 HydrophobicContact CG-CD2 4.38Å
152R98.7Very high98.1Very high14 Ų1432.4 Ų32.45%0.05317%0.173CC..Hα-helixtrans-65.3-42.2-178.8-69.1-60.896-168.222.8111.9S148 T149 A150 L154 K155 D156 F289 M291 W294 M307S148-R152 WeakPolarHBondContact O-CB 3.26Å; S148-R152 VanDerWaalsContact O-CG 3.27Å; S148-R152 WeakPolarHBondContact O-CG 3.48Å; S148-R152 PolarHBondContact O-N 2.87Å; T149-R152 PolarHBondContact O-N 2.95Å; A150-R152 PolarHBondContact O-N 3.47Å; R152-L154 PolarHBondContact O-N 3.17Å; R152-K155 PolarHBondContact O-N 3.34Å; R152-K155 VanDerWaalsContact O-N 3.13Å; R152-D156 IonicContact CZ-OD1 2.85Å; R152-D156 IonicContact NH1-OD1 2.98Å; R152-D156 PolarHBondContact NH1-OD1 2.69Å; R152-D156 IonicContact NH1-OD2 2.69Å; R152-D156 VanDerWaalsContact O-CB 3.26Å; R152-D156 WeakPolarHBondContact O-CB 3.43Å; R152-D156 PolarHBondContact O-N 2.85Å; R152-F289 HydrophobicContact CB-CE1 4.18Å; R152-F289 HydrophobicContact CB-CE2 3.94Å; R152-F289 HydrophobicContact CB-CZ 3.42Å; R152-F289 VanDerWaalsContact CB-CZ 3.42Å; R152-F289 HydrophobicContact CG-CZ 4.1Å; R152-M291 HydrophobicContact CG-CE 4.06Å; R152-M291 HydrophobicContact CG-SD 4.16Å; R152-W294 VanDerWaalsContact CD-CE2 3.47Å; R152-W294 HydrophobicContact CG-CD2 4.34Å; R152-W294 HydrophobicContact CG-CZ2 4.28Å; R152-M307 HydrophobicContact CG-SD 3.56Å; R152-M307 VanDerWaalsContact CG-SD 3.56Å; R152-M307 PolarHBondContact NE-SD 2.95Å
153M98.8Very high98Very high0 Ų033.9 Ų33.90%019%0.191CC..Hα-helixtrans-60.1-36.8176-70.9-171.9-56.200112.5T149 A150 F157 V175 V179 L240 V262 Y264 F289T149-M153 HydrophobicContact CG2-CE 3.82Å; T149-M153 HydrophobicContact CG2-SD 4.24Å; T149-M153 VanDerWaalsContact O-CG 3.31Å; T149-M153 WeakPolarHBondContact O-CG 3.44Å; T149-M153 PolarHBondContact O-N 2.86Å; A150-M153 PolarHBondContact O-N 2.89Å; M153-F157 HydrophobicContact CG-CE2 4.45Å; M153-F157 WeakPolarHBondContact O-CD2 3.45Å; M153-V175 HydrophobicContact CE-CG1 3.63Å; M153-V179 HydrophobicContact CE-CG2 4.43Å; M153-L240 HydrophobicContact CB-CD1 4.49Å; M153-L240 HydrophobicContact CB-CD2 3.85Å; M153-L240 HydrophobicContact CE-CD1 4.15Å; M153-L240 HydrophobicContact CE-CD2 4.46Å; M153-L240 HydrophobicContact CG-CD2 4.41Å; M153-L240 HydrophobicContact SD-CD2 4.03Å; M153-V262 HydrophobicContact CG-CG1 4.17Å; M153-V262 HydrophobicContact SD-CG1 4.18Å; M153-Y264 HydrophobicContact CE-CD1 3.79Å; M153-Y264 HydrophobicContact CE-CD2 4.29Å; M153-Y264 HydrophobicContact CE-CE1 3.79Å; M153-Y264 HydrophobicContact CE-CE2 4.3Å; M153-Y264 HydrophobicContact CE-CG 4.03Å; M153-Y264 HydrophobicContact SD-CD1 3.27Å; M153-Y264 WeakPolarHBondContact SD-CD1 3.09Å; M153-Y264 HydrophobicContact SD-CD2 4.24Å; M153-Y264 HydrophobicContact SD-CE1 3.88Å; M153-Y264 HydrophobicContact SD-CG 3.46Å; M153-F289 HydrophobicContact CG-CB 4.41Å; M153-F289 HydrophobicContact CG-CD1 3.56Å; M153-F289 HydrophobicContact CG-CE1 4.03Å; M153-F289 HydrophobicContact CG-CG 4Å; M153-F289 HydrophobicContact SD-CD1 4.13Å
154L98.8Very high98Very high1 Ų134.6 Ų34.61%0.00520%0.195CC..Hα-helixtrans-76.4-20.1177.8-68.7173.9000114.1A150 Y151 R152 L160 V166 V179 L182 C183 L238 L240A150-L154 WeakPolarHBondContact O-CG 3.45Å; A150-L154 PolarHBondContact O-N 3.41Å; A150-L154 VanDerWaalsContact O-N 3.16Å; Y151-L154 PolarHBondContact O-N 2.86Å; R152-L154 PolarHBondContact O-N 3.17Å; L154-L160 HydrophobicContact CD2-CD1 4.05Å; L154-V166 HydrophobicContact CD2-CG2 4.12Å; L154-V179 HydrophobicContact CD2-CG1 4.44Å; L154-L182 HydrophobicContact CD1-CB 3.59Å; L154-L182 HydrophobicContact CD1-CD1 4.16Å; L154-C183 VanDerWaalsContact CD2-SG 3.6Å; L154-L238 HydrophobicContact CD2-CD2 4.28Å; L154-L240 HydrophobicContact CD2-CD1 4.43Å
155K98.3Very high98.2Very high86 Ų8634.2 Ų34.237%0.37419%0.192SC..Hα-helixtrans-111.2-22.6-174.8-67.8-56.2-175.2-172.50115.4Y151 R152Y151-K155 HydrophobicContact CD1-CB 4.41Å; Y151-K155 HydrophobicContact CD1-CG 3.9Å; Y151-K155 HydrophobicContact CE1-CB 4.15Å; Y151-K155 HydrophobicContact CE1-CG 3.46Å; Y151-K155 VanDerWaalsContact CE1-CG 3.46Å; Y151-K155 WeakPolarHBondContact O-CG 3.32Å; Y151-K155 PolarHBondContact O-N 3.07Å; Y151-K155 VanDerWaalsContact O-N 3.08Å; R152-K155 PolarHBondContact O-N 3.34Å; R152-K155 VanDerWaalsContact O-N 3.13Å
156D98.3Very high98.3Very high59 Ų5932.5 Ų32.532%0.31618%0.181SC..Hα-helixtrans-98.7-17.6-169.8-66.52.8000113R152 W294R152-D156 IonicContact CZ-OD1 2.85Å; R152-D156 IonicContact NH1-OD1 2.98Å; R152-D156 PolarHBondContact NH1-OD1 2.69Å; R152-D156 IonicContact NH1-OD2 2.69Å; R152-D156 VanDerWaalsContact O-CB 3.26Å; R152-D156 WeakPolarHBondContact O-CB 3.43Å; R152-D156 PolarHBondContact O-N 2.85Å; D156-W294 PolarHBondContact OD2-NE1 2.8Å
157F98.5Very high98.4Very high29 Ų2931.6 Ų31.613%0.12718%0.176CC..SBendtrans-104.3-48.4-172.8-66.5-82.1000113.7M153 L238 K260 V262 H287 F289M153-F157 HydrophobicContact CG-CE2 4.45Å; M153-F157 WeakPolarHBondContact O-CD2 3.45Å; F157-L238 HydrophobicContact CB-CD1 4.15Å; F157-K260 HydrophobicContact CB-CD 4.15Å; F157-K260 WeakPolarHBondContact O-CD 3.47Å; F157-K260 WeakPolarHBondContact O-CE 3.26Å; F157-K260 PolarHBondContact O-NZ 3.38Å; F157-V262 HydrophobicContact CB-CG2 3.94Å; F157-V262 HydrophobicContact CD1-CG2 3.57Å; F157-V262 HydrophobicContact CD2-CG1 4.17Å; F157-V262 HydrophobicContact CD2-CG2 3.63Å; F157-V262 HydrophobicContact CE1-CG1 4.32Å; F157-V262 HydrophobicContact CE1-CG2 3.94Å; F157-V262 HydrophobicContact CE2-CG1 3.71Å; F157-V262 HydrophobicContact CE2-CG2 3.98Å; F157-V262 HydrophobicContact CG-CG2 3.4Å; F157-V262 VanDerWaalsContact CG-CG2 3.4Å; F157-V262 HydrophobicContact CZ-CG1 3.79Å; F157-V262 HydrophobicContact CZ-CG2 4.12Å; F157-H287 HydrophobicContact CD1-CB 3.98Å; F157-H287 AromaticContact CD1-CG 3.89Å; F157-H287 HydrophobicContact CE1-CB 3.58Å; F157-H287 AromaticContact CE1-CG 3.85Å; F157-H287 AromaticContact CE1-ND1 3.97Å; F157-H287 HydrophobicContact CZ-CB 4.48Å; F157-F289 HydrophobicContact CE2-CB 4.09Å; F157-F289 AromaticContact CE2-CD2 3.76Å; F157-F289 HydrophobicContact CE2-CD2 3.76Å; F157-F289 HydrophobicContact CE2-CG 4.06Å; F157-F289 HydrophobicContact CZ-CB 3.86Å; F157-F289 AromaticContact CZ-CD2 3.77Å; F157-F289 HydrophobicContact CZ-CD2 3.77Å; F157-F289 HydrophobicContact CZ-CG 4.15Å
158V98.5Very high98.4Very high22 Ų2231.2 Ų31.213%0.13317%0.174CC..  trans-129.2134.7-179.4178.50000108L160 K237 L238 K260V158-L160 VanDerWaalsContact C-N 3.26Å; V158-L160 HydrophobicContact CB-CD2 4.18Å; V158-L160 HydrophobicContact CB-CG 4.12Å; V158-L160 HydrophobicContact CG1-CD2 3.73Å; V158-L160 HydrophobicContact CG1-CG 4Å; V158-L160 PolarHBondContact O-N 3.43Å; V158-K237 HydrophobicContact CG1-CB 3.9Å; V158-K237 HydrophobicContact CG1-CD 4.32Å; V158-L238 HydrophobicContact CB-CB 4.48Å; V158-L238 HydrophobicContact CG2-CB 4.1Å; V158-L238 HydrophobicContact CG2-CD1 4.25Å; V158-K260 HydrophobicContact CG2-CB 4.1Å; V158-K260 HydrophobicContact CG2-CD 3.95Å; V158-K260 HydrophobicContact CG2-CG 3.96Å
159D97.9Very high98.4Very high142 Ų14231.4 Ų31.476%0.75918%0.175SC*.  trans-75.585.6168.5-167.124.6000108.6
160L98.5Very high98.3Very high16 Ų1631.5 Ų31.58%0.08418%0.178CC..PPolyproline II helixtrans-77128.4-176.4-68.1166.6000110.2L154 V158 D164 V166 I188 K237 L238L154-L160 HydrophobicContact CD2-CD1 4.05Å; V158-L160 VanDerWaalsContact C-N 3.26Å; V158-L160 HydrophobicContact CB-CD2 4.18Å; V158-L160 HydrophobicContact CB-CG 4.12Å; V158-L160 HydrophobicContact CG1-CD2 3.73Å; V158-L160 HydrophobicContact CG1-CG 4Å; V158-L160 PolarHBondContact O-N 3.43Å; L160-D164 HydrophobicContact CD2-CB 3.96Å; L160-V166 HydrophobicContact CD1-CG2 3.66Å; L160-V166 HydrophobicContact CD2-CG2 4.24Å; L160-I188 HydrophobicContact CB-CD1 3.57Å; L160-I188 HydrophobicContact CB-CG1 4.25Å; L160-I188 HydrophobicContact CD1-CD1 3.9Å; L160-I188 HydrophobicContact CG-CD1 4.34Å; L160-K237 HydrophobicContact CD2-CB 4.34Å; L160-L238 HydrophobicContact CD1-CD2 3.93Å; L160-L238 HydrophobicContact CD2-CB 4.43Å
161M98Very high98.2Very high103 Ų10331.5 Ų31.551%0.50718%0.178SC..PPolyproline II helixtrans-101.5156.4176.5-61-59.5-70.600110.9G163 D164M161-G163 PolarHBondContact O-N 3.4Å; M161-D164 PolarHBondContact N-OD2 3.41Å; M161-D164 WeakPolarHBondContact O-CB 3.24Å; M161-D164 PolarHBondContact O-N 3.06Å
162P98.2Very high98Very high88 Ų8833.5 Ų33.557%0.57119%0.19SC*.THydrogen-bonded Turntrans-49.6132.1169.4-29.837.6000112.1D164 N187P162-D164 VanDerWaalsContact C-N 3.34Å; P162-N187 CarbonylContact C-O 3.58Å; P162-N187 VanDerWaalsContact CA-O 3.27Å; P162-N187 WeakPolarHBondContact CA-O 3.36Å; P162-N187 HydrophobicContact CB-CB 3.92Å; P162-N187 HydrophobicContact CG-CB 4.4Å
163G96.5Very high97.8Very high45 Ų4534.4 Ų34.446%0.46420%0.198SC..THydrogen-bonded Turntrans86.8-8.3-174.900000115.2M161 N187M161-G163 PolarHBondContact O-N 3.4Å; G163-N187 PolarHBondContact N-O 2.98Å
164D98.5Very high97.6Very high18 Ų1835.5 Ų35.510%0.09621%0.207CC..  trans-67.1159.6168.1-76-25.7000111.4L160 M161 P162 I188 S189 K237L160-D164 HydrophobicContact CD2-CB 3.96Å; M161-D164 PolarHBondContact N-OD2 3.41Å; M161-D164 WeakPolarHBondContact O-CB 3.24Å; M161-D164 PolarHBondContact O-N 3.06Å; P162-D164 VanDerWaalsContact C-N 3.34Å; D164-I188 WeakPolarHBondContact O-CG2 3.45Å; D164-S189 PolarHBondContact O-N 2.98Å; D164-K237 WeakPolarHBondContact OD1-CE 3.28Å; D164-K237 IonicContact OD1-NZ 2.75Å; D164-K237 PolarHBondContact OD1-NZ 3.44Å; D164-K237 WeakPolarHBondContact OD2-CD 3.36Å; D164-K237 IonicContact OD2-NZ 3.36Å; D164-K237 PolarHBondContact OD2-NZ 2.91Å
165V98.8Very high97.5Very high2 Ų236 Ų361%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-116134-178-176.80000110.8S189 V191 F230 M233 P234 P236 K237V165-S189 WeakPolarHBondContact CA-O 3.41Å; V165-V191 HydrophobicContact CG1-CG2 4.08Å; V165-F230 HydrophobicContact CG1-CE1 4.32Å; V165-M233 HydrophobicContact CB-CE 4.39Å; V165-M233 HydrophobicContact CG1-CE 3.67Å; V165-M233 HydrophobicContact CG2-CE 3.74Å; V165-P234 HydrophobicContact CG2-CB 4.19Å; V165-P234 HydrophobicContact CG2-CG 4.4Å; V165-P234 WeakPolarHBondContact CG2-O 3.37Å; V165-P236 HydrophobicContact CB-CB 4.36Å; V165-P236 HydrophobicContact CG1-CB 4.15Å; V165-P236 WeakPolarHBondContact O-CA 3.38Å; V165-P236 WeakPolarHBondContact O-CB 3.39Å; V165-K237 PolarHBondContact O-N 3.29Å; V165-K237 VanDerWaalsContact O-N 3.15Å
166V98.9Very high97.4Very high0 Ų031.9 Ų31.90%019%0.193CC..EExtended strand (participates in β ladder)trans-110.3133.6167.6175.30000108.9L154 L160 I188 S189 T190 V191 L238 L240L154-V166 HydrophobicContact CD2-CG2 4.12Å; L160-V166 HydrophobicContact CD1-CG2 3.66Å; L160-V166 HydrophobicContact CD2-CG2 4.24Å; V166-I188 HydrophobicContact CB-CG2 4.4Å; V166-I188 HydrophobicContact CG2-CG2 3.68Å; V166-S189 PolarHBondContact N-O 3.44Å; V166-T190 CarbonylContact O-C 3.48Å; V166-T190 VanDerWaalsContact O-CA 3.31Å; V166-T190 WeakPolarHBondContact O-CA 3.49Å; V166-V191 PolarHBondContact O-N 3.47Å; V166-L238 WeakPolarHBondContact CA-O 3.34Å; V166-L238 HydrophobicContact CG2-CB 4.24Å; V166-L238 HydrophobicContact CG2-CD2 4.3Å; V166-L240 HydrophobicContact CG1-CD1 4.08Å; V166-L240 HydrophobicContact CG1-CG 4.12Å
167V98.8Very high97.4Very high0 Ų029.5 Ų29.50%018%0.18CC..EExtended strand (participates in β ladder)trans-107.9137.5169.8640000109.9V191 F222 P236 L238 A239 L240 M251V167-V191 CarbonylContact C-O 3.26Å; V167-V191 WeakPolarHBondContact CA-O 3.41Å; V167-V191 HydrophobicContact CB-CB 4.24Å; V167-V191 HydrophobicContact CG2-CB 3.98Å; V167-V191 HydrophobicContact CG2-CG1 4.03Å; V167-F222 HydrophobicContact CG2-CZ 4.28Å; V167-P236 HydrophobicContact CB-CB 4.17Å; V167-P236 HydrophobicContact CB-CG 4.09Å; V167-P236 HydrophobicContact CG1-CB 3.88Å; V167-P236 HydrophobicContact CG1-CG 3.68Å; V167-L238 PolarHBondContact N-O 2.87Å; V167-A239 HydrophobicContact CG1-CB 3.59Å; V167-A239 CarbonylContact O-C 3.55Å; V167-A239 WeakPolarHBondContact O-CA 3.37Å; V167-L240 PolarHBondContact O-N 2.99Å; V167-M251 HydrophobicContact CG1-CE 4.31Å; V167-M251 HydrophobicContact CG2-CE 4.23Å; V167-M251 HydrophobicContact CG2-CG 4.33Å
168Q98.8Very high97.4Very high0 Ų028.4 Ų28.40%018%0.175CC..EExtended strand (participates in β ladder)trans-139.7150.6178.364171.8-33.600112.9A171 G176 V191 N192 L193 L240Q168-A171 HydrophobicContact CG-CB 4.25Å; Q168-G176 PolarHBondContact NE2-O 2.92Å; Q168-V191 PolarHBondContact N-O 3.16Å; Q168-N192 WeakPolarHBondContact CG-OD1 3.38Å; Q168-N192 PolarHBondContact NE2-OD1 3.46Å; Q168-L193 WeakPolarHBondContact O-CB 3.25Å; Q168-L193 WeakPolarHBondContact O-CG 3.27Å; Q168-L193 PolarHBondContact O-N 3.49Å; Q168-L240 VanDerWaalsContact CA-O 3.31Å; Q168-L240 WeakPolarHBondContact CA-O 3.45Å; Q168-L240 HydrophobicContact CB-CB 3.95Å
169N97.8Very high97.4Very high3 Ų327.4 Ų27.42%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-107.7163.1166.166.921.7000112A171 L193 L240 N241 C242 V243 I248 M251N169-A171 PolarHBondContact O-N 3.07Å; N169-L193 HydrophobicContact CB-CB 4.21Å; N169-L240 PolarHBondContact N-O 3.27Å; N169-L240 VanDerWaalsContact N-O 3.14Å; N169-N241 PolarHBondContact ND2-OD1 3.11Å; N169-N241 WeakPolarHBondContact OD1-CA 3.37Å; N169-N241 PolarHBondContact OD1-OD1 2.94Å; N169-C242 PolarHBondContact O-SG 3.4Å; N169-C242 PolarHBondContact OD1-N 3.46Å; N169-V243 HydrophobicContact CB-CG2 4.11Å; N169-V243 PolarHBondContact OD1-N 3.32Å; N169-I248 WeakPolarHBondContact ND2-CD1 3.36Å; N169-M251 HydrophobicContact CB-CE 4.18Å; N169-M251 HydrophobicContact CB-SD 3.67Å
170G95.5Very high97.5Very high14 Ų1420.6 Ų20.614%0.14413%0.133CC..SBendtrans59.639.8-172.400000111.5N172 S173 L193G170-N172 PolarHBondContact O-N 2.92Å; G170-S173 WeakPolarHBondContact O-CB 3.48Å; G170-S173 PolarHBondContact O-N 3.09Å; G170-S173 PolarHBondContact O-OG 3.1Å; G170-L193 PolarHBondContact N-O 2.7Å
171A97.2Very high97.5Very high0 Ų020.3 Ų20.30%013%0.131CC..THydrogen-bonded Turntrans-61.1-27.3-175.200000113.3Q168 N169 S173 G176 Q177 N192 L193 I194 L208Q168-A171 HydrophobicContact CG-CB 4.25Å; N169-A171 PolarHBondContact O-N 3.07Å; A171-S173 PolarHBondContact O-N 2.8Å; A171-G176 CarbonylContact O-C 3.57Å; A171-G176 VanDerWaalsContact O-C 3.26Å; A171-G176 WeakPolarHBondContact O-CA 3.5Å; A171-Q177 PolarHBondContact O-N 2.9Å; A171-N192 HydrophobicContact CB-CB 3.61Å; A171-L193 PolarHBondContact N-O 2.86Å; A171-I194 HydrophobicContact CB-CG2 4.19Å; A171-L208 HydrophobicContact CB-CD1 3.97Å
172N94.8Very high97.5Very high61 Ų6115.4 Ų15.433%0.32611%0.107SC..THydrogen-bonded Turntrans-75.1-6.2174.1-163.624.7000113.6G170 Q177 I194 T204G170-N172 PolarHBondContact O-N 2.92Å; N172-Q177 PolarHBondContact O-NE2 2.86Å; N172-I194 HydrophobicContact CB-CG2 4.35Å; N172-T204 HydrophobicContact CB-CG2 3.9Å
173S93.6Very high97.6Very high33 Ų3311.2 Ų11.223%0.2318%0.08CC..SBendtrans-66.3160.8172.871.80000111.3G170 A171 V175 G176 Q177G170-S173 WeakPolarHBondContact O-CB 3.48Å; G170-S173 PolarHBondContact O-N 3.09Å; G170-S173 PolarHBondContact O-OG 3.1Å; A171-S173 PolarHBondContact O-N 2.8Å; S173-V175 VanDerWaalsContact C-N 3.29Å; S173-V175 PolarHBondContact O-N 3.07Å; S173-G176 PolarHBondContact O-N 2.77Å; S173-G176 VanDerWaalsContact O-N 3.1Å; S173-G176 PolarHBondContact OG-N 3.28Å; S173-G176 VanDerWaalsContact OG-N 3.07Å; S173-Q177 WeakPolarHBondContact O-CG 3.28Å; S173-Q177 PolarHBondContact O-N 2.84Å
174A94.6Very high97.6Very high23 Ų2316.2 Ų16.219%0.198%0.084CC..Hα-helixtrans-56.4-43176.100000112.4N146 L178 V323N146-A174 HydrophobicContact CB-CB 4.5Å; N146-A174 VanDerWaalsContact ND2-CB 3.26Å; N146-A174 WeakPolarHBondContact ND2-CB 3.07Å; A174-L178 VanDerWaalsContact O-CD1 3.27Å; A174-L178 WeakPolarHBondContact O-CD1 3.48Å; A174-L178 VanDerWaalsContact O-CG 3.3Å; A174-L178 WeakPolarHBondContact O-CG 3.25Å; A174-L178 PolarHBondContact O-N 2.82Å; A174-V323 HydrophobicContact CB-CB 4.43Å; A174-V323 HydrophobicContact CB-CG1 4.27Å; A174-V323 HydrophobicContact CB-CG2 3.96Å; A174-V323 WeakPolarHBondContact O-CG1 3.05Å
175V96.6Very high97.6Very high11 Ų1118.7 Ų18.77%0.06710%0.095CC..Hα-helixtrans-65.2-42.9176.1178.10000110.7N146 T149 A150 M153 S173 Q177 L178 V179 Y264N146-V175 HydrophobicContact CB-CG2 3.99Å; T149-V175 HydrophobicContact CG2-CG1 4.09Å; T149-V175 HydrophobicContact CG2-CG2 4.32Å; A150-V175 HydrophobicContact CB-CG1 4.19Å; M153-V175 HydrophobicContact CE-CG1 3.63Å; S173-V175 VanDerWaalsContact C-N 3.29Å; S173-V175 PolarHBondContact O-N 3.07Å; V175-Q177 PolarHBondContact O-N 2.83Å; V175-L178 PolarHBondContact O-N 3.12Å; V175-L178 VanDerWaalsContact O-N 3.11Å; V175-V179 HydrophobicContact CG1-CG2 4.32Å; V175-V179 WeakPolarHBondContact O-CG2 3.33Å; V175-V179 PolarHBondContact O-N 3.21Å; V175-Y264 HydrophobicContact CB-CE2 3.82Å; V175-Y264 HydrophobicContact CG1-CD2 4.46Å; V175-Y264 HydrophobicContact CG1-CE2 3.6Å; V175-Y264 HydrophobicContact CG2-CE2 4.02Å
176G97.3Very high97.6Very high0 Ų020.3 Ų20.30%010%0.102CC..Hα-helixtrans-64.3-39.6-178.300000113.7Q168 A171 S173 L178 V179 I180Q168-G176 PolarHBondContact NE2-O 2.92Å; A171-G176 CarbonylContact O-C 3.57Å; A171-G176 VanDerWaalsContact O-C 3.26Å; A171-G176 WeakPolarHBondContact O-CA 3.5Å; S173-G176 PolarHBondContact O-N 2.77Å; S173-G176 VanDerWaalsContact O-N 3.1Å; S173-G176 PolarHBondContact OG-N 3.28Å; S173-G176 VanDerWaalsContact OG-N 3.07Å; G176-L178 VanDerWaalsContact C-N 3.28Å; G176-L178 PolarHBondContact O-N 3.34Å; G176-V179 PolarHBondContact O-N 3.49Å; G176-I180 WeakPolarHBondContact O-CG1 3.31Å; G176-I180 PolarHBondContact O-N 2.95Å
177Q97.9Very high97.6Very high9 Ų925.7 Ų25.74%0.04213%0.131CC..Hα-helixtrans-61.2-36.1172.5-70.5177.643.900112.2A171 N172 S173 V175 Q181 Y207 L208 L211 V323A171-Q177 PolarHBondContact O-N 2.9Å; N172-Q177 PolarHBondContact O-NE2 2.86Å; S173-Q177 WeakPolarHBondContact O-CG 3.28Å; S173-Q177 PolarHBondContact O-N 2.84Å; V175-Q177 PolarHBondContact O-N 2.83Å; Q177-Q181 WeakPolarHBondContact O-CG 3.18Å; Q177-Q181 PolarHBondContact O-N 2.8Å; Q177-Q181 PolarHBondContact O-NE2 2.9Å; Q177-Y207 HydrophobicContact CG-CE1 4.26Å; Q177-Y207 PolarHBondContact OE1-OH 3.13Å; Q177-L208 HydrophobicContact CG-CD2 3.91Å; Q177-L211 HydrophobicContact CB-CD1 3.8Å; Q177-L211 HydrophobicContact CG-CD1 3.86Å; Q177-V323 HydrophobicContact CB-CG1 3.87Å
178L98.6Very high97.6Very high7 Ų726 Ų264%0.03713%0.133CC..Hα-helixtrans-77.2-34.6177.7-67.6159.7000112N146 P147 A150 A174 V175 G176 I180 Q181 L182 L320 V323N146-L178 HydrophobicContact CB-CD1 3.63Å; P147-L178 HydrophobicContact CB-CD1 4.28Å; P147-L178 HydrophobicContact CG-CD1 3.78Å; P147-L178 HydrophobicContact CG-CD2 4.27Å; A150-L178 HydrophobicContact CB-CB 3.89Å; A174-L178 VanDerWaalsContact O-CD1 3.27Å; A174-L178 WeakPolarHBondContact O-CD1 3.48Å; A174-L178 VanDerWaalsContact O-CG 3.3Å; A174-L178 WeakPolarHBondContact O-CG 3.25Å; A174-L178 PolarHBondContact O-N 2.82Å; V175-L178 PolarHBondContact O-N 3.12Å; V175-L178 VanDerWaalsContact O-N 3.11Å; G176-L178 VanDerWaalsContact C-N 3.28Å; G176-L178 PolarHBondContact O-N 3.34Å; L178-I180 VanDerWaalsContact C-N 3.34Å; L178-Q181 PolarHBondContact O-N 3Å; L178-L182 WeakPolarHBondContact O-CB 3.19Å; L178-L182 VanDerWaalsContact O-CG 3.28Å; L178-L182 WeakPolarHBondContact O-CG 3.27Å; L178-L182 PolarHBondContact O-N 2.92Å; L178-L320 HydrophobicContact CD2-CD1 3.78Å; L178-L320 HydrophobicContact CD2-CD2 4.46Å; L178-L320 HydrophobicContact CD2-CG 4.14Å; L178-V323 HydrophobicContact CD1-CG1 3.96Å; L178-V323 HydrophobicContact CD2-CG1 4.08Å; L178-V323 HydrophobicContact CG-CG1 3.66Å
179V98.9Very high97.6Very high0 Ų027.5 Ų27.50%014%0.143CC..Hα-helixtrans-58.1-47.6171.2166.70000110.2A150 M153 L154 V175 G176 Q181 L182 C183 L240A150-V179 HydrophobicContact CB-CG2 3.82Å; M153-V179 HydrophobicContact CE-CG2 4.43Å; L154-V179 HydrophobicContact CD2-CG1 4.44Å; V175-V179 HydrophobicContact CG1-CG2 4.32Å; V175-V179 WeakPolarHBondContact O-CG2 3.33Å; V175-V179 PolarHBondContact O-N 3.21Å; G176-V179 PolarHBondContact O-N 3.49Å; V179-Q181 PolarHBondContact O-N 3.42Å; V179-L182 PolarHBondContact O-N 3.26Å; V179-C183 VanDerWaalsContact O-CB 3.25Å; V179-C183 WeakPolarHBondContact O-CB 3.38Å; V179-C183 PolarHBondContact O-N 2.85Å; V179-C183 PolarHBondContact O-SG 3.16Å; V179-C183 VanDerWaalsContact O-SG 3.41Å; V179-L240 HydrophobicContact CB-CD1 4.42Å; V179-L240 HydrophobicContact CG1-CD1 3.83Å; V179-L240 HydrophobicContact CG2-CD1 3.67Å
180I98.9Very high97.6Very high0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-55.7-51.5178.2-71.1160000110.8G176 L178 L182 C183 R184 N192 L208 L211 G212 A213G176-I180 WeakPolarHBondContact O-CG1 3.31Å; G176-I180 PolarHBondContact O-N 2.95Å; L178-I180 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 3.21Å; I180-C183 PolarHBondContact O-N 3.39Å; I180-R184 WeakPolarHBondContact O-CB 3.2Å; I180-R184 PolarHBondContact O-N 3.47Å; I180-N192 VanDerWaalsContact CG1-OD1 3.26Å; I180-N192 WeakPolarHBondContact CG1-OD1 3.25Å; I180-L208 HydrophobicContact CD1-CB 4.19Å; I180-L208 HydrophobicContact CD1-CD1 4.47Å; I180-L208 HydrophobicContact CD1-CD2 3.81Å; I180-L208 HydrophobicContact CD1-CG 4.36Å; I180-L211 HydrophobicContact CG2-CB 3.8Å; I180-G212 VanDerWaalsContact CG2-C 3.5Å; I180-A213 HydrophobicContact CD1-CB 4.07Å; I180-A213 HydrophobicContact CG1-CB 4.24Å; I180-A213 HydrophobicContact CG2-CB 4.04Å; I180-A213 VanDerWaalsContact CG2-N 3.27Å
181Q98.8Very high97.8Very high9 Ų926.8 Ų26.84%0.04214%0.136CC..Hα-helixtrans-63.7-42.7-178.2-68.8-178.478.200112.6Q177 L178 V179 R184 H185 L211 L320 L321Q177-Q181 WeakPolarHBondContact O-CG 3.18Å; Q177-Q181 PolarHBondContact O-N 2.8Å; Q177-Q181 PolarHBondContact O-NE2 2.9Å; L178-Q181 PolarHBondContact O-N 3Å; V179-Q181 PolarHBondContact O-N 3.42Å; Q181-R184 PolarHBondContact O-N 3.26Å; Q181-H185 WeakPolarHBondContact O-CB 3.46Å; Q181-H185 PolarHBondContact O-N 3.42Å; Q181-L211 HydrophobicContact CG-CB 4.2Å; Q181-L211 HydrophobicContact CG-CD2 4.23Å; Q181-L320 HydrophobicContact CB-CD1 3.93Å; Q181-L321 PolarHBondContact NE2-O 2.98Å; Q181-L321 VanDerWaalsContact NE2-O 3.17Å; Q181-L321 PolarHBondContact OE1-O 3.48Å
182L98.9Very high97.8Very high1 Ų126.8 Ų26.81%0.00514%0.136CC..Hα-helixtrans-67.3-41.2177.5-71.6171.8000111.7A150 Y151 L154 L178 V179 I180 H185 F186 L311 L314 L320A150-L182 HydrophobicContact CB-CD1 3.82Å; Y151-L182 HydrophobicContact CD2-CD2 4.35Å; L154-L182 HydrophobicContact CD1-CB 3.59Å; L154-L182 HydrophobicContact CD1-CD1 4.16Å; L178-L182 WeakPolarHBondContact O-CB 3.19Å; L178-L182 VanDerWaalsContact O-CG 3.28Å; L178-L182 WeakPolarHBondContact O-CG 3.27Å; L178-L182 PolarHBondContact O-N 2.92Å; V179-L182 PolarHBondContact O-N 3.26Å; I180-L182 PolarHBondContact O-N 3.21Å; L182-H185 WeakPolarHBondContact O-CB 3.44Å; L182-H185 PolarHBondContact O-N 3.07Å; L182-F186 HydrophobicContact CB-CD2 4.43Å; L182-F186 HydrophobicContact CB-CE2 4.08Å; L182-F186 HydrophobicContact CD2-CE2 4.41Å; L182-F186 HydrophobicContact CD2-CZ 4.42Å; L182-F186 WeakPolarHBondContact O-CB 3.43Å; L182-F186 WeakPolarHBondContact O-CD2 3.44Å; L182-F186 VanDerWaalsContact O-CG 3.25Å; L182-F186 WeakPolarHBondContact O-CG 3.45Å; L182-F186 PolarHBondContact O-N 2.9Å; L182-L311 HydrophobicContact CD2-CD2 4.3Å; L182-L314 HydrophobicContact CD2-CD1 3.84Å; L182-L320 HydrophobicContact CD2-CD1 4.14Å; L182-L320 HydrophobicContact CG-CD1 4.14Å
183C98.8Very high98Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-61.9-45.9174.7-80.30000111.5L154 V179 I180 H185 F186 N187 I188 T190L154-C183 VanDerWaalsContact CD2-SG 3.6Å; V179-C183 VanDerWaalsContact O-CB 3.25Å; V179-C183 WeakPolarHBondContact O-CB 3.38Å; V179-C183 PolarHBondContact O-N 2.85Å; V179-C183 PolarHBondContact O-SG 3.16Å; V179-C183 VanDerWaalsContact O-SG 3.41Å; I180-C183 PolarHBondContact O-N 3.39Å; C183-H185 VanDerWaalsContact C-N 3.29Å; C183-H185 PolarHBondContact O-N 2.91Å; C183-F186 CarbonylContact O-C 3.55Å; C183-F186 PolarHBondContact O-N 3.43Å; C183-N187 PolarHBondContact O-N 3.35Å; C183-I188 CarbonylContact C-O 3.54Å; C183-I188 HydrophobicContact CB-CB 4Å; C183-I188 HydrophobicContact CB-CG2 4.25Å; C183-I188 WeakPolarHBondContact CB-O 3.2Å; C183-I188 PolarHBondContact O-N 3.43Å; C183-T190 HydrophobicContact CB-CG2 3.33Å
184R98.5Very high98.1Very high149 Ų14922.8 Ų22.856%0.56211%0.112SC*.Hα-helixtrans-53.6-47.7171.7-177.3-168-175.1147.4-1.9111.1I180 Q181 F186 N187 E210I180-R184 WeakPolarHBondContact O-CB 3.2Å; I180-R184 PolarHBondContact O-N 3.47Å; Q181-R184 PolarHBondContact O-N 3.26Å; R184-F186 VanDerWaalsContact C-N 3.3Å; R184-F186 PolarHBondContact O-N 3.33Å; R184-N187 PolarHBondContact O-N 3.25Å; R184-E210 PolarHBondContact NH1-O 2.89Å; R184-E210 VanDerWaalsContact NH1-O 3.09Å
185H98.1Very high98Very high71 Ų7130.2 Ų30.233%0.32914%0.135SC..Hα-helixtrans-63.1-34.5178.5177.362.7000113.1Q181 L182 C183 N187 L314Q181-H185 WeakPolarHBondContact O-CB 3.46Å; Q181-H185 PolarHBondContact O-N 3.42Å; L182-H185 WeakPolarHBondContact O-CB 3.44Å; L182-H185 PolarHBondContact O-N 3.07Å; C183-H185 VanDerWaalsContact C-N 3.29Å; C183-H185 PolarHBondContact O-N 2.91Å; H185-N187 VanDerWaalsContact C-N 3.35Å; H185-L314 VanDerWaalsContact CE1-CD2 3.48Å; H185-L314 WeakPolarHBondContact CE1-CD2 3.33Å; H185-L314 WeakPolarHBondContact NE2-CD2 3.41Å
186F98.1Very high97.9Very high35 Ų3532.2 Ų32.215%0.15415%0.145CC..THydrogen-bonded Turntrans-88.85.9178.4-60.1-38.2000114.2Y151 L182 C183 R184 I188Y151-F186 HydrophobicContact CD2-CZ 4.45Å; Y151-F186 AromaticContact CE2-CZ 3.97Å; Y151-F186 HydrophobicContact CE2-CZ 3.97Å; L182-F186 HydrophobicContact CB-CD2 4.43Å; L182-F186 HydrophobicContact CB-CE2 4.08Å; L182-F186 HydrophobicContact CD2-CE2 4.41Å; L182-F186 HydrophobicContact CD2-CZ 4.42Å; L182-F186 WeakPolarHBondContact O-CB 3.43Å; L182-F186 WeakPolarHBondContact O-CD2 3.44Å; L182-F186 VanDerWaalsContact O-CG 3.25Å; L182-F186 WeakPolarHBondContact O-CG 3.45Å; L182-F186 PolarHBondContact O-N 2.9Å; C183-F186 CarbonylContact O-C 3.55Å; C183-F186 PolarHBondContact O-N 3.43Å; R184-F186 VanDerWaalsContact C-N 3.3Å; R184-F186 PolarHBondContact O-N 3.33Å; F186-I188 VanDerWaalsContact C-N 3.28Å; F186-I188 HydrophobicContact CB-CD1 3.61Å; F186-I188 HydrophobicContact CB-CG1 3.99Å; F186-I188 HydrophobicContact CD2-CD1 4.3Å; F186-I188 HydrophobicContact CG-CD1 4.43Å; F186-I188 PolarHBondContact O-N 2.94Å
187N98.3Very high97.5Very high114 Ų11435.8 Ų35.861%0.6118%0.182SC*.THydrogen-bonded Turntrans57.137.7-174.4-57.6-49.7000113.6P162 G163 C183 R184 H185P162-N187 CarbonylContact C-O 3.58Å; P162-N187 VanDerWaalsContact CA-O 3.27Å; P162-N187 WeakPolarHBondContact CA-O 3.36Å; P162-N187 HydrophobicContact CB-CB 3.92Å; P162-N187 HydrophobicContact CG-CB 4.4Å; G163-N187 PolarHBondContact N-O 2.98Å; C183-N187 PolarHBondContact O-N 3.35Å; R184-N187 PolarHBondContact O-N 3.25Å; H185-N187 VanDerWaalsContact C-N 3.35Å
188I98.8Very high97Very high6 Ų639.5 Ų39.53%0.03120%0.198CC..  trans-105.1130.1177.1-63.1164.5000107.8L160 D164 V166 C183 F186L160-I188 HydrophobicContact CB-CD1 3.57Å; L160-I188 HydrophobicContact CB-CG1 4.25Å; L160-I188 HydrophobicContact CD1-CD1 3.9Å; L160-I188 HydrophobicContact CG-CD1 4.34Å; D164-I188 WeakPolarHBondContact O-CG2 3.45Å; V166-I188 HydrophobicContact CB-CG2 4.4Å; V166-I188 HydrophobicContact CG2-CG2 3.68Å; C183-I188 CarbonylContact C-O 3.54Å; C183-I188 HydrophobicContact CB-CB 4Å; C183-I188 HydrophobicContact CB-CG2 4.25Å; C183-I188 WeakPolarHBondContact CB-O 3.2Å; C183-I188 PolarHBondContact O-N 3.43Å; F186-I188 VanDerWaalsContact C-N 3.28Å; F186-I188 HydrophobicContact CB-CD1 3.61Å; F186-I188 HydrophobicContact CB-CG1 3.99Å; F186-I188 HydrophobicContact CD2-CD1 4.3Å; F186-I188 HydrophobicContact CG-CD1 4.43Å; F186-I188 PolarHBondContact O-N 2.94Å
189S98.7Very high96.5Very high32 Ų3244.3 Ų44.322%0.22424%0.239CC..EExtended strand (participates in β ladder)trans-79.5150.1176.8-74.20000111.6D164 V165 V166 D214D164-S189 PolarHBondContact O-N 2.98Å; V165-S189 WeakPolarHBondContact CA-O 3.41Å; V166-S189 PolarHBondContact N-O 3.44Å; S189-D214 VanDerWaalsContact CA-OD2 3.24Å; S189-D214 WeakPolarHBondContact CA-OD2 3.29Å; S189-D214 WeakPolarHBondContact CB-OD1 3.44Å; S189-D214 PolarHBondContact OG-OD1 2.72Å
190T98.9Very high96.2Very high1 Ų148 Ų481%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-127.8133.9-174.957.20000112.8V166 C183 N192 D214 V215V166-T190 CarbonylContact O-C 3.48Å; V166-T190 VanDerWaalsContact O-CA 3.31Å; V166-T190 WeakPolarHBondContact O-CA 3.49Å; C183-T190 HydrophobicContact CB-CG2 3.33Å; T190-N192 VanDerWaalsContact CB-ND2 3.29Å; T190-N192 WeakPolarHBondContact CB-ND2 3.37Å; T190-N192 PolarHBondContact O-ND2 3.3Å; T190-N192 VanDerWaalsContact O-ND2 3.15Å; T190-N192 PolarHBondContact OG1-ND2 3.31Å; T190-D214 PolarHBondContact N-OD2 2.84Å; T190-D214 PolarHBondContact OG1-OD2 3.1Å; T190-V215 PolarHBondContact O-N 2.85Å; T190-V215 VanDerWaalsContact O-N 3.1Å
191V98.8Very high96Very high0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-107.7116.7166.7179.60000108.4V165 V166 V167 Q168 L193 V215 F222 L229 F230 M233V165-V191 HydrophobicContact CG1-CG2 4.08Å; V166-V191 PolarHBondContact O-N 3.47Å; V167-V191 CarbonylContact C-O 3.26Å; V167-V191 WeakPolarHBondContact CA-O 3.41Å; V167-V191 HydrophobicContact CB-CB 4.24Å; V167-V191 HydrophobicContact CG2-CB 3.98Å; V167-V191 HydrophobicContact CG2-CG1 4.03Å; Q168-V191 PolarHBondContact N-O 3.16Å; V191-L193 HydrophobicContact CG1-CD2 4.3Å; V191-V215 HydrophobicContact CG1-CG1 4.23Å; V191-V215 HydrophobicContact CG2-CB 4.27Å; V191-F222 HydrophobicContact CG1-CD2 4.2Å; V191-F222 HydrophobicContact CG1-CE2 4.01Å; V191-L229 HydrophobicContact CG1-CD2 3.81Å; V191-L229 HydrophobicContact CG2-CD2 4.06Å; V191-F230 HydrophobicContact CG2-CE1 4.1Å; V191-F230 HydrophobicContact CG2-CZ 4.06Å; V191-M233 HydrophobicContact CG2-CE 3.76Å; V191-M233 HydrophobicContact CG2-SD 3.71Å
192N98.8Very high95.8Very high0 Ų057 Ų570%030%0.299CS..EExtended strand (participates in β ladder)trans-118.7111.5-162-60.6-77.2000110.4Q168 A171 I180 T190 A213 V215 V216 L217Q168-N192 WeakPolarHBondContact CG-OD1 3.38Å; Q168-N192 PolarHBondContact NE2-OD1 3.46Å; A171-N192 HydrophobicContact CB-CB 3.61Å; I180-N192 VanDerWaalsContact CG1-OD1 3.26Å; I180-N192 WeakPolarHBondContact CG1-OD1 3.25Å; T190-N192 VanDerWaalsContact CB-ND2 3.29Å; T190-N192 WeakPolarHBondContact CB-ND2 3.37Å; T190-N192 PolarHBondContact O-ND2 3.3Å; T190-N192 VanDerWaalsContact O-ND2 3.15Å; T190-N192 PolarHBondContact OG1-ND2 3.31Å; N192-A213 VanDerWaalsContact ND2-CB 3.31Å; N192-A213 WeakPolarHBondContact ND2-CB 3.49Å; N192-V215 VanDerWaalsContact CB-O 3.29Å; N192-V215 WeakPolarHBondContact CB-O 3.28Å; N192-V215 PolarHBondContact N-O 2.96Å; N192-V215 PolarHBondContact ND2-O 2.69Å; N192-V216 HydrophobicContact CB-CG2 4.32Å; N192-V216 WeakPolarHBondContact O-CA 3.47Å; N192-L217 PolarHBondContact O-N 2.76Å
193L98.3Very high95.7Very high4 Ų462.4 Ų62.42%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-94.6128.5-178.4-46.6-174.2000111Q168 N169 G170 A171 V191 L217 F222 M251Q168-L193 WeakPolarHBondContact O-CB 3.25Å; Q168-L193 WeakPolarHBondContact O-CG 3.27Å; Q168-L193 PolarHBondContact O-N 3.49Å; N169-L193 HydrophobicContact CB-CB 4.21Å; G170-L193 PolarHBondContact N-O 2.7Å; A171-L193 PolarHBondContact N-O 2.86Å; V191-L193 HydrophobicContact CG1-CD2 4.3Å; L193-L217 VanDerWaalsContact CA-O 3.29Å; L193-L217 WeakPolarHBondContact CA-O 3.48Å; L193-L217 HydrophobicContact CD2-CB 4.26Å; L193-F222 HydrophobicContact CD1-CB 4.33Å; L193-F222 HydrophobicContact CD1-CD1 3.55Å; L193-F222 HydrophobicContact CD1-CE1 3.92Å; L193-F222 HydrophobicContact CD1-CG 3.92Å; L193-F222 HydrophobicContact CD2-CB 3.48Å; L193-F222 VanDerWaalsContact CD2-CB 3.48Å; L193-F222 HydrophobicContact CD2-CD1 4.01Å; L193-F222 HydrophobicContact CD2-CD2 3.69Å; L193-F222 HydrophobicContact CD2-CE2 4.39Å; L193-F222 HydrophobicContact CD2-CG 3.45Å; L193-F222 VanDerWaalsContact CD2-CG 3.45Å; L193-F222 HydrophobicContact CG-CD1 4.44Å; L193-F222 HydrophobicContact CG-CG 4.34Å; L193-M251 HydrophobicContact CD1-CG 3.64Å; L193-M251 HydrophobicContact CD1-SD 3.8Å
194I96.2Very high95.5Very high7 Ų762.8 Ų62.84%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-114.6160.6173.562.9171.6000110.8A171 N172 E201 T204 K205 L208 V216 L217 T218 E219A171-I194 HydrophobicContact CB-CG2 4.19Å; N172-I194 HydrophobicContact CB-CG2 4.35Å; I194-E201 HydrophobicContact CD1-CG 3.95Å; I194-T204 HydrophobicContact CD1-CG2 4.05Å; I194-T204 HydrophobicContact CG2-CG2 4.15Å; I194-K205 HydrophobicContact CD1-CG 3.81Å; I194-L208 HydrophobicContact CG2-CD1 3.67Å; I194-V216 HydrophobicContact CD1-CG1 4.3Å; I194-V216 HydrophobicContact CG1-CG1 4.46Å; I194-V216 HydrophobicContact CG2-CG1 4.13Å; I194-L217 PolarHBondContact N-O 3.32Å; I194-T218 HydrophobicContact CG1-CG2 4.35Å; I194-T218 WeakPolarHBondContact O-CA 3.15Å; I194-E219 PolarHBondContact O-N 2.93Å; I194-E219 VanDerWaalsContact O-N 3.15Å
195R92.6Very high95.5Very high178 Ų17857.5 Ų57.567%0.67231%0.307SS*.  trans-67.2137.5-179.9-175174.5175.8177.21.1110.5
196D93.3Very high95.5Very high53 Ų5358.3 Ų58.328%0.28331%0.314SS..THydrogen-bonded Turntrans-64152.7173.7-65.9-70.7000112.8K198 T218 T220D196-K198 PolarHBondContact O-N 2.62Å; D196-T218 WeakPolarHBondContact OD1-CB 3.37Å; D196-T218 PolarHBondContact OD1-OG1 3.21Å; D196-T220 WeakPolarHBondContact OD1-CB 2.81Å; D196-T220 PolarHBondContact OD1-N 3.02Å; D196-T220 VanDerWaalsContact OD1-N 3.16Å; D196-T220 PolarHBondContact OD1-OG1 3.05Å; D196-T220 PolarHBondContact OD2-N 3.14Å; D196-T220 PolarHBondContact OD2-OG1 2.94Å
197G89.3Confident95.5Very high75 Ų7558 Ų5877%0.77331%0.312SS*.THydrogen-bonded Turntrans72.824.6161.600000115.1
198K87.6Confident95.5Very high88 Ų8852.6 Ų52.638%0.38328%0.283SS..  trans-87.8138.2174.2-74-69-177.4179.30110.3D196 D200 E201D196-K198 PolarHBondContact O-N 2.62Å; K198-D200 WeakPolarHBondContact CB-OD1 3.33Å; K198-D200 PolarHBondContact O-N 2.98Å; K198-E201 WeakPolarHBondContact O-CB 3.37Å; K198-E201 PolarHBondContact O-N 3.33Å; K198-E201 VanDerWaalsContact O-N 3.17Å
199A89.1Confident95.4Very high108 Ų10854 Ų5489%0.89330%0.299SS*.THydrogen-bonded Turntrans-62.4-29.6-179.600000112.3
200D91.4Very high95.4Very high77 Ų7759.2 Ų59.241%0.41232%0.32SS..THydrogen-bonded Turntrans-95.925.1178.364.6-32.8000113.1K198 K202 E203 T204K198-D200 WeakPolarHBondContact CB-OD1 3.33Å; K198-D200 PolarHBondContact O-N 2.98Å; D200-K202 PolarHBondContact O-N 2.85Å; D200-E203 VanDerWaalsContact CA-OE2 3.3Å; D200-E203 WeakPolarHBondContact CA-OE2 3.38Å; D200-T204 WeakPolarHBondContact O-CB 3.41Å; D200-T204 PolarHBondContact O-N 3.28Å; D200-T204 PolarHBondContact O-OG1 2.81Å
201E94.6Very high95.4Very high51 Ų5159.9 Ų59.924%0.23832%0.323CS..Hα-helixtrans-59.9-45.1-175.8-175.8-175.3131.700112.2I194 K198 T204 K205 T218I194-E201 HydrophobicContact CD1-CG 3.95Å; K198-E201 WeakPolarHBondContact O-CB 3.37Å; K198-E201 PolarHBondContact O-N 3.33Å; K198-E201 VanDerWaalsContact O-N 3.17Å; E201-T204 PolarHBondContact O-N 3.3Å; E201-K205 HydrophobicContact CG-CD 4.31Å; E201-K205 WeakPolarHBondContact O-CG 3.33Å; E201-K205 PolarHBondContact O-N 3.11Å; E201-K205 IonicContact OE1-NZ 3.21Å; E201-K205 PolarHBondContact OE1-NZ 3.32Å; E201-T218 HydrophobicContact CG-CG2 4.07Å; E201-T218 WeakPolarHBondContact OE1-CG2 3.48Å; E201-T218 WeakPolarHBondContact OE2-CG2 3.37Å
202K95.9Very high95.3Very high147 Ų14760.8 Ų60.864%0.63933%0.332SS*.Hα-helixtrans-66.5-49.6-178.4-175.6-177.4174.8-170.90110.6D200 T204 K205 D206D200-K202 PolarHBondContact O-N 2.85Å; K202-T204 PolarHBondContact O-N 3.39Å; K202-K205 WeakPolarHBondContact O-CB 3.32Å; K202-K205 PolarHBondContact O-N 3.13Å; K202-D206 VanDerWaalsContact O-CG 3.32Å; K202-D206 PolarHBondContact O-N 2.75Å
203E95.5Very high95.3Very high115 Ų11561.4 Ų61.454%0.53734%0.337SS..Hα-helixtrans-60.7-34.6177.3-63.179-176.600111.5D200 Y207D200-E203 VanDerWaalsContact CA-OE2 3.3Å; D200-E203 WeakPolarHBondContact CA-OE2 3.38Å; E203-Y207 WeakPolarHBondContact O-CB 3.48Å; E203-Y207 PolarHBondContact O-N 3.26Å
204T95.7Very high95.3Very high7 Ų765.2 Ų65.24%0.04336%0.358CS..Hα-helixtrans-67.1-46.1173.6-64.40000111.2N172 I194 D200 E201 K202 Y207 L208N172-T204 HydrophobicContact CB-CG2 3.9Å; I194-T204 HydrophobicContact CD1-CG2 4.05Å; I194-T204 HydrophobicContact CG2-CG2 4.15Å; D200-T204 WeakPolarHBondContact O-CB 3.41Å; D200-T204 PolarHBondContact O-N 3.28Å; D200-T204 PolarHBondContact O-OG1 2.81Å; E201-T204 PolarHBondContact O-N 3.3Å; K202-T204 PolarHBondContact O-N 3.39Å; T204-Y207 PolarHBondContact O-N 2.96Å; T204-L208 HydrophobicContact CG2-CD1 4.13Å; T204-L208 HydrophobicContact CG2-CG 4.38Å; T204-L208 VanDerWaalsContact O-CG 3.28Å; T204-L208 WeakPolarHBondContact O-CG 3.38Å; T204-L208 PolarHBondContact O-N 2.73Å
205K98Very high95.5Very high39 Ų3966.5 Ų66.517%0.1737%0.366CS..Hα-helixtrans-60-48.8177.5-77172.7168.2170.10111.5I194 E201 K202 L208 G209 V216 E221I194-K205 HydrophobicContact CD1-CG 3.81Å; E201-K205 HydrophobicContact CG-CD 4.31Å; E201-K205 WeakPolarHBondContact O-CG 3.33Å; E201-K205 PolarHBondContact O-N 3.11Å; E201-K205 IonicContact OE1-NZ 3.21Å; E201-K205 PolarHBondContact OE1-NZ 3.32Å; K202-K205 WeakPolarHBondContact O-CB 3.32Å; K202-K205 PolarHBondContact O-N 3.13Å; K205-L208 PolarHBondContact O-N 2.91Å; K205-G209 PolarHBondContact O-N 3.32Å; K205-V216 HydrophobicContact CB-CB 4.48Å; K205-V216 HydrophobicContact CB-CG1 4.36Å; K205-V216 HydrophobicContact CG-CB 4.15Å; K205-V216 HydrophobicContact CG-CG1 3.77Å; K205-E221 WeakPolarHBondContact CE-OE2 3.47Å; K205-E221 VanDerWaalsContact NZ-CD 3.34Å; K205-E221 IonicContact NZ-OE1 2.8Å; K205-E221 PolarHBondContact NZ-OE1 3.12Å; K205-E221 IonicContact NZ-OE2 2.84Å; K205-E221 PolarHBondContact NZ-OE2 3.16Å
206D97.9Very high95.7Very high88 Ų8859.2 Ų59.247%0.47134%0.341SS..Hα-helixtrans-60.6-48.9-179.9-65.3-17000110.5K202 L208 G209 E210K202-D206 VanDerWaalsContact O-CG 3.32Å; K202-D206 PolarHBondContact O-N 2.75Å; D206-L208 PolarHBondContact O-N 3.39Å; D206-G209 WeakPolarHBondContact O-CA 3.32Å; D206-G209 PolarHBondContact O-N 2.89Å; D206-G209 VanDerWaalsContact O-N 3.11Å; D206-E210 WeakPolarHBondContact O-CG 3.44Å; D206-E210 PolarHBondContact O-N 3.41Å
207Y97.1Very high96Very high29 Ų2957.4 Ų57.411%0.11433%0.331CS..Hα-helixtrans-60-43177.2170.6-111.1000113.4Q177 E203 T204 G209 E210 L211 K324Q177-Y207 HydrophobicContact CG-CE1 4.26Å; Q177-Y207 PolarHBondContact OE1-OH 3.13Å; E203-Y207 WeakPolarHBondContact O-CB 3.48Å; E203-Y207 PolarHBondContact O-N 3.26Å; T204-Y207 PolarHBondContact O-N 2.96Å; Y207-G209 VanDerWaalsContact C-N 3.29Å; Y207-G209 PolarHBondContact O-N 3.45Å; Y207-E210 WeakPolarHBondContact O-CB 3.22Å; Y207-E210 PolarHBondContact O-N 3.44Å; Y207-L211 HydrophobicContact CE1-CD1 3.83Å; Y207-L211 HydrophobicContact CE1-CG 4.43Å; Y207-L211 HydrophobicContact CE2-CD1 4.4Å; Y207-L211 HydrophobicContact CE2-CD2 4.19Å; Y207-L211 HydrophobicContact CE2-CG 4.21Å; Y207-L211 PolarHBondContact O-N 2.98Å; Y207-K324 HydrophobicContact CD1-CD 4.28Å; Y207-K324 VanDerWaalsContact CD2-CE 3.48Å; Y207-K324 HydrophobicContact CE1-CD 3.92Å; Y207-K324 HydrophobicContact CE1-CG 4.1Å; Y207-K324 HydrophobicContact CE2-CD 4.35Å; Y207-K324 VanDerWaalsContact CE2-CE 3.47Å; Y207-K324 HydrophobicContact CE2-CG 4.22Å; Y207-K324 VanDerWaalsContact CG-NZ 3.33Å
208L98.2Very high96.4Very high0 Ų054.1 Ų54.10%030%0.296CS..Hα-helixtrans-66.8-33.9177.1-67.2-177000111.4A171 Q177 I180 I194 T204 K205 D206 L211 G212 A213 V216A171-L208 HydrophobicContact CB-CD1 3.97Å; Q177-L208 HydrophobicContact CG-CD2 3.91Å; I180-L208 HydrophobicContact CD1-CB 4.19Å; I180-L208 HydrophobicContact CD1-CD1 4.47Å; I180-L208 HydrophobicContact CD1-CD2 3.81Å; I180-L208 HydrophobicContact CD1-CG 4.36Å; I194-L208 HydrophobicContact CG2-CD1 3.67Å; T204-L208 HydrophobicContact CG2-CD1 4.13Å; T204-L208 HydrophobicContact CG2-CG 4.38Å; T204-L208 VanDerWaalsContact O-CG 3.28Å; T204-L208 WeakPolarHBondContact O-CG 3.38Å; T204-L208 PolarHBondContact O-N 2.73Å; K205-L208 PolarHBondContact O-N 2.91Å; D206-L208 PolarHBondContact O-N 3.39Å; L208-L211 HydrophobicContact CD2-CD1 4.14Å; L208-L211 PolarHBondContact O-N 3.34Å; L208-G212 PolarHBondContact O-N 3.23Å; L208-A213 HydrophobicContact CB-CB 4.25Å; L208-A213 WeakPolarHBondContact O-CB 3.37Å; L208-A213 PolarHBondContact O-N 3.3Å; L208-V216 HydrophobicContact CB-CG2 3.9Å; L208-V216 HydrophobicContact CD1-CG1 3.96Å
209G98.4Very high96.8Very high35 Ų3552.7 Ų52.736%0.36129%0.291SS..Hα-helixtrans-60.7-44.3170.900000112.5K205 D206 Y207 L211 G212K205-G209 PolarHBondContact O-N 3.32Å; D206-G209 WeakPolarHBondContact O-CA 3.32Å; D206-G209 PolarHBondContact O-N 2.89Å; D206-G209 VanDerWaalsContact O-N 3.11Å; Y207-G209 VanDerWaalsContact C-N 3.29Å; Y207-G209 PolarHBondContact O-N 3.45Å; G209-L211 VanDerWaalsContact C-N 3.28Å; G209-L211 PolarHBondContact O-N 3.29Å; G209-G212 WeakPolarHBondContact O-CA 3.35Å; G209-G212 PolarHBondContact O-N 2.94Å
210E98Very high97.1Very high142 Ų14250.6 Ų50.666%0.66427%0.267SS*.Hα-helixtrans-58.9-38.2175.6-68.6171.1174.200112.6R184 D206 Y207 G212R184-E210 PolarHBondContact NH1-O 2.89Å; R184-E210 VanDerWaalsContact NH1-O 3.09Å; D206-E210 WeakPolarHBondContact O-CG 3.44Å; D206-E210 PolarHBondContact O-N 3.41Å; Y207-E210 WeakPolarHBondContact O-CB 3.22Å; Y207-E210 PolarHBondContact O-N 3.44Å; E210-G212 PolarHBondContact O-N 2.98Å
211L98Very high97.4Very high15 Ų1548.6 Ų48.68%0.07926%0.255CS..Hα-helixtrans-66-19.3173.9-65-177.2000113Q177 I180 Q181 Y207 L208 G209Q177-L211 HydrophobicContact CB-CD1 3.8Å; Q177-L211 HydrophobicContact CG-CD1 3.86Å; I180-L211 HydrophobicContact CG2-CB 3.8Å; Q181-L211 HydrophobicContact CG-CB 4.2Å; Q181-L211 HydrophobicContact CG-CD2 4.23Å; Y207-L211 HydrophobicContact CE1-CD1 3.83Å; Y207-L211 HydrophobicContact CE1-CG 4.43Å; Y207-L211 HydrophobicContact CE2-CD1 4.4Å; Y207-L211 HydrophobicContact CE2-CD2 4.19Å; Y207-L211 HydrophobicContact CE2-CG 4.21Å; Y207-L211 PolarHBondContact O-N 2.98Å; L208-L211 HydrophobicContact CD2-CD1 4.14Å; L208-L211 PolarHBondContact O-N 3.34Å; G209-L211 VanDerWaalsContact C-N 3.28Å; G209-L211 PolarHBondContact O-N 3.29Å
212G98.3Very high97.6Very high18 Ų1846.3 Ų46.319%0.18624%0.244CC..THydrogen-bonded Turntrans114.418.6178.900000115.2I180 L208 G209 E210 D214I180-G212 VanDerWaalsContact CG2-C 3.5Å; L208-G212 PolarHBondContact O-N 3.23Å; G209-G212 WeakPolarHBondContact O-CA 3.35Å; G209-G212 PolarHBondContact O-N 2.94Å; E210-G212 PolarHBondContact O-N 2.98Å; G212-D214 PolarHBondContact O-N 3.41Å
213A98.7Very high97.6Very high13 Ų1344.6 Ų44.611%0.10724%0.237CC..  trans-68.8126.8174.800000111I180 N192 L208 V216I180-A213 HydrophobicContact CD1-CB 4.07Å; I180-A213 HydrophobicContact CG1-CB 4.24Å; I180-A213 HydrophobicContact CG2-CB 4.04Å; I180-A213 VanDerWaalsContact CG2-N 3.27Å; N192-A213 VanDerWaalsContact ND2-CB 3.31Å; N192-A213 WeakPolarHBondContact ND2-CB 3.49Å; L208-A213 HydrophobicContact CB-CB 4.25Å; L208-A213 WeakPolarHBondContact O-CB 3.37Å; L208-A213 PolarHBondContact O-N 3.3Å; A213-V216 HydrophobicContact CB-CG2 3.55Å
214D98.6Very high97.7Very high85 Ų8547 Ų4746%0.45524%0.241SC..SBendtrans-74.1-41.5177.9-48.7-116.5000111.6S189 T190 G212S189-D214 VanDerWaalsContact CA-OD2 3.24Å; S189-D214 WeakPolarHBondContact CA-OD2 3.29Å; S189-D214 WeakPolarHBondContact CB-OD1 3.44Å; S189-D214 PolarHBondContact OG-OD1 2.72Å; T190-D214 PolarHBondContact N-OD2 2.84Å; T190-D214 PolarHBondContact OG1-OD2 3.1Å; G212-D214 PolarHBondContact O-N 3.41Å
215V98.5Very high97.8Very high34 Ų3450.8 Ų50.821%0.20626%0.257CS..EExtended strand (participates in β ladder)trans-135.8126.4-179.71770000109.2T190 V191 N192 L217 L229T190-V215 PolarHBondContact O-N 2.85Å; T190-V215 VanDerWaalsContact O-N 3.1Å; V191-V215 HydrophobicContact CG1-CG1 4.23Å; V191-V215 HydrophobicContact CG2-CB 4.27Å; N192-V215 VanDerWaalsContact CB-O 3.29Å; N192-V215 WeakPolarHBondContact CB-O 3.28Å; N192-V215 PolarHBondContact N-O 2.96Å; N192-V215 PolarHBondContact ND2-O 2.69Å; V215-L217 HydrophobicContact CG1-CD1 3.78Å; V215-L217 HydrophobicContact CG1-CG 3.77Å; V215-L229 HydrophobicContact CG1-CD1 4.23Å; V215-L229 HydrophobicContact CG1-CD2 4.28Å; V215-L229 HydrophobicContact CG2-CD1 4.12Å
216V98.6Very high97.7Very high25 Ų2550.3 Ų50.315%0.15226%0.257CS..EExtended strand (participates in β ladder)trans-123.4121.1172.8-166.70000109.4N192 I194 K205 L208 A213N192-V216 HydrophobicContact CB-CG2 4.32Å; N192-V216 WeakPolarHBondContact O-CA 3.47Å; I194-V216 HydrophobicContact CD1-CG1 4.3Å; I194-V216 HydrophobicContact CG1-CG1 4.46Å; I194-V216 HydrophobicContact CG2-CG1 4.13Å; K205-V216 HydrophobicContact CB-CB 4.48Å; K205-V216 HydrophobicContact CB-CG1 4.36Å; K205-V216 HydrophobicContact CG-CB 4.15Å; K205-V216 HydrophobicContact CG-CG1 3.77Å; L208-V216 HydrophobicContact CB-CG2 3.9Å; L208-V216 HydrophobicContact CD1-CG1 3.96Å; A213-V216 HydrophobicContact CB-CG2 3.55Å
217L98.3Very high97.6Very high15 Ų1555.5 Ų55.58%0.07927%0.27CS..EExtended strand (participates in β ladder)trans-134.6149.6-176.8-64.6172.5000109.9N192 L193 I194 V215 E221 F222 K225 L229N192-L217 PolarHBondContact O-N 2.76Å; L193-L217 VanDerWaalsContact CA-O 3.29Å; L193-L217 WeakPolarHBondContact CA-O 3.48Å; L193-L217 HydrophobicContact CD2-CB 4.26Å; I194-L217 PolarHBondContact N-O 3.32Å; V215-L217 HydrophobicContact CG1-CD1 3.78Å; V215-L217 HydrophobicContact CG1-CG 3.77Å; L217-E221 WeakPolarHBondContact CA-OE2 3.31Å; L217-E221 HydrophobicContact CB-CB 4.11Å; L217-E221 HydrophobicContact CD2-CB 4.08Å; L217-F222 HydrophobicContact CB-CB 4.24Å; L217-F222 HydrophobicContact CD1-CB 4.27Å; L217-F222 HydrophobicContact CD1-CD2 4.17Å; L217-K225 HydrophobicContact CD2-CD 4.09Å; L217-L229 HydrophobicContact CD1-CD2 4.15Å
218T97.6Very high97.6Very high5 Ų556.7 Ų56.73%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-69.8161.516279.80000110.7I194 D196 E201 T220 E221 F222I194-T218 HydrophobicContact CG1-CG2 4.35Å; I194-T218 WeakPolarHBondContact O-CA 3.15Å; D196-T218 WeakPolarHBondContact OD1-CB 3.37Å; D196-T218 PolarHBondContact OD1-OG1 3.21Å; E201-T218 HydrophobicContact CG-CG2 4.07Å; E201-T218 WeakPolarHBondContact OE1-CG2 3.48Å; E201-T218 WeakPolarHBondContact OE2-CG2 3.37Å; T218-T220 PolarHBondContact O-N 3.05Å; T218-T220 PolarHBondContact OG1-N 2.75Å; T218-E221 PolarHBondContact N-OE2 2.96Å; T218-E221 PolarHBondContact O-N 3.48Å; T218-E221 WeakPolarHBondContact OG1-CG 3.27Å; T218-E221 PolarHBondContact OG1-N 3.23Å; T218-E221 VanDerWaalsContact OG1-N 3.11Å; T218-F222 WeakPolarHBondContact O-CB 3.26Å; T218-F222 PolarHBondContact O-N 3.24Å
219E95.8Very high97.6Very high58 Ų5858 Ų5827%0.27129%0.29SS..Hα-helixtrans-57.1-40.2175.8-63.6-176.4-17600111.9I194 F222 K223I194-E219 PolarHBondContact O-N 2.93Å; I194-E219 VanDerWaalsContact O-N 3.15Å; E219-F222 PolarHBondContact O-N 3.43Å; E219-K223 WeakPolarHBondContact O-CB 3.45Å; E219-K223 PolarHBondContact O-N 2.74Å
220T96.8Very high97.5Very high64 Ų6457.8 Ų57.839%0.39328%0.279SS..Hα-helixtrans-69.6-39.3177.8-55.70000112D196 T218 R224D196-T220 WeakPolarHBondContact OD1-CB 2.81Å; D196-T220 PolarHBondContact OD1-N 3.02Å; D196-T220 VanDerWaalsContact OD1-N 3.16Å; D196-T220 PolarHBondContact OD1-OG1 3.05Å; D196-T220 PolarHBondContact OD2-N 3.14Å; D196-T220 PolarHBondContact OD2-OG1 2.94Å; T218-T220 PolarHBondContact O-N 3.05Å; T218-T220 PolarHBondContact OG1-N 2.75Å; T220-R224 PolarHBondContact O-N 3.18Å; T220-R224 PolarHBondContact O-NH1 3.13Å
221E97.9Very high97.5Very high35 Ų3557.1 Ų57.116%0.16428%0.276CS..Hα-helixtrans-62.6-44.8173.1-72.7-179.6125.600112.1K205 L217 T218 R224 K225K205-E221 WeakPolarHBondContact CE-OE2 3.47Å; K205-E221 VanDerWaalsContact NZ-CD 3.34Å; K205-E221 IonicContact NZ-OE1 2.8Å; K205-E221 PolarHBondContact NZ-OE1 3.12Å; K205-E221 IonicContact NZ-OE2 2.84Å; K205-E221 PolarHBondContact NZ-OE2 3.16Å; L217-E221 WeakPolarHBondContact CA-OE2 3.31Å; L217-E221 HydrophobicContact CB-CB 4.11Å; L217-E221 HydrophobicContact CD2-CB 4.08Å; T218-E221 PolarHBondContact N-OE2 2.96Å; T218-E221 PolarHBondContact O-N 3.48Å; T218-E221 WeakPolarHBondContact OG1-CG 3.27Å; T218-E221 PolarHBondContact OG1-N 3.23Å; T218-E221 VanDerWaalsContact OG1-N 3.11Å; E221-R224 PolarHBondContact O-N 3.43Å; E221-R224 VanDerWaalsContact O-N 3.15Å; E221-K225 WeakPolarHBondContact O-CB 3.38Å; E221-K225 WeakPolarHBondContact O-CG 3.13Å; E221-K225 PolarHBondContact O-N 3.33Å; E221-K225 IonicContact OE1-NZ 3.96Å
222F98Very high97.3Very high3 Ų365.2 Ų65.21%0.01331%0.31CS..Hα-helixtrans-61.3-46178.4178.2-110.6000111.6V167 V191 L193 L217 T218 E219 R224 K225 V226 L229 F230 M251V167-F222 HydrophobicContact CG2-CZ 4.28Å; V191-F222 HydrophobicContact CG1-CD2 4.2Å; V191-F222 HydrophobicContact CG1-CE2 4.01Å; L193-F222 HydrophobicContact CD1-CB 4.33Å; L193-F222 HydrophobicContact CD1-CD1 3.55Å; L193-F222 HydrophobicContact CD1-CE1 3.92Å; L193-F222 HydrophobicContact CD1-CG 3.92Å; L193-F222 HydrophobicContact CD2-CB 3.48Å; L193-F222 VanDerWaalsContact CD2-CB 3.48Å; L193-F222 HydrophobicContact CD2-CD1 4.01Å; L193-F222 HydrophobicContact CD2-CD2 3.69Å; L193-F222 HydrophobicContact CD2-CE2 4.39Å; L193-F222 HydrophobicContact CD2-CG 3.45Å; L193-F222 VanDerWaalsContact CD2-CG 3.45Å; L193-F222 HydrophobicContact CG-CD1 4.44Å; L193-F222 HydrophobicContact CG-CG 4.34Å; L217-F222 HydrophobicContact CB-CB 4.24Å; L217-F222 HydrophobicContact CD1-CB 4.27Å; L217-F222 HydrophobicContact CD1-CD2 4.17Å; T218-F222 WeakPolarHBondContact O-CB 3.26Å; T218-F222 PolarHBondContact O-N 3.24Å; E219-F222 PolarHBondContact O-N 3.43Å; F222-R224 PolarHBondContact O-N 3.28Å; F222-K225 PolarHBondContact O-N 3.32Å; F222-K225 VanDerWaalsContact O-N 3.11Å; F222-V226 HydrophobicContact CD2-CB 4.46Å; F222-V226 HydrophobicContact CE1-CG2 4.25Å; F222-V226 HydrophobicContact CE2-CB 4.2Å; F222-V226 HydrophobicContact CE2-CG2 3.96Å; F222-V226 HydrophobicContact CZ-CB 4.24Å; F222-V226 HydrophobicContact CZ-CG2 3.71Å; F222-V226 WeakPolarHBondContact O-CA 3.3Å; F222-V226 VanDerWaalsContact O-CB 3.27Å; F222-V226 WeakPolarHBondContact O-CB 3.06Å; F222-V226 PolarHBondContact O-N 2.73Å; F222-L229 HydrophobicContact CD2-CD2 4.32Å; F222-L229 HydrophobicContact CE2-CD2 4.22Å; F222-F230 AromaticContact CE2-CE2 3.9Å; F222-F230 HydrophobicContact CE2-CE2 3.9Å; F222-F230 HydrophobicContact CE2-CZ 4.34Å; F222-F230 HydrophobicContact CZ-CE2 4.17Å; F222-M251 HydrophobicContact CE1-CG 4.01Å
223K96.8Very high97.2Very high112 Ų11265.9 Ų65.949%0.48731%0.309SS..Hα-helixtrans-51.6-40.1173.6168.5173.3175.1165.60112.6E219 Y250E219-K223 WeakPolarHBondContact O-CB 3.45Å; E219-K223 PolarHBondContact O-N 2.74Å; K223-Y250 HydrophobicContact CB-CD1 4.43Å; K223-Y250 HydrophobicContact CB-CD2 4.19Å; K223-Y250 HydrophobicContact CB-CE1 4.4Å; K223-Y250 HydrophobicContact CB-CE2 4.15Å; K223-Y250 HydrophobicContact CB-CG 4.34Å; K223-Y250 HydrophobicContact CD-CD2 4.49Å; K223-Y250 HydrophobicContact CD-CE1 4.21Å; K223-Y250 HydrophobicContact CD-CE2 3.64Å; K223-Y250 VanDerWaalsContact CD-CZ 3.48Å; K223-Y250 WeakPolarHBondContact CD-OH 3.32Å; K223-Y250 WeakPolarHBondContact CE-OH 3.44Å; K223-Y250 HydrophobicContact CG-CD1 4.23Å; K223-Y250 HydrophobicContact CG-CD2 4.34Å; K223-Y250 HydrophobicContact CG-CE1 3.73Å; K223-Y250 HydrophobicContact CG-CE2 3.84Å; K223-Y250 PolarHBondContact NZ-OH 3.08Å; K223-Y250 VanDerWaalsContact NZ-OH 3.13Å
224R97.3Very high97.2Very high164 Ų16468.9 Ų68.962%0.61933%0.328SS*.Hα-helixtrans-77.2-37.4178.9-66-168.3-56.3-89.51.7113T220 E221 F222T220-R224 PolarHBondContact O-N 3.18Å; T220-R224 PolarHBondContact O-NH1 3.13Å; E221-R224 PolarHBondContact O-N 3.43Å; E221-R224 VanDerWaalsContact O-N 3.15Å; F222-R224 PolarHBondContact O-N 3.28Å
225K97.1Very high97.2Very high88 Ų8867.2 Ų67.238%0.38332%0.323SS..Hα-helixtrans-97.4-12.9-169.3-66.4177.7178.8174.90114.3L217 E221 F222 R227 S228 L229L217-K225 HydrophobicContact CD2-CD 4.09Å; E221-K225 WeakPolarHBondContact O-CB 3.38Å; E221-K225 WeakPolarHBondContact O-CG 3.13Å; E221-K225 PolarHBondContact O-N 3.33Å; E221-K225 IonicContact OE1-NZ 3.96Å; F222-K225 PolarHBondContact O-N 3.32Å; F222-K225 VanDerWaalsContact O-N 3.11Å; K225-R227 VanDerWaalsContact C-N 3.28Å; K225-R227 PolarHBondContact O-N 3.45Å; K225-R227 VanDerWaalsContact O-N 3.09Å; K225-S228 PolarHBondContact O-N 3.16Å; K225-S228 VanDerWaalsContact O-N 3.08Å; K225-S228 PolarHBondContact O-OG 2.88Å; K225-L229 WeakPolarHBondContact O-CB 3.45Å; K225-L229 PolarHBondContact O-N 3.49Å
226V96.9Very high97.2Very high28 Ų2865.6 Ų65.617%0.1731%0.313CS..Hα-helixtrans-48.1-44.9-169.561.20000113.4F222 L229 F230 C254F222-V226 HydrophobicContact CD2-CB 4.46Å; F222-V226 HydrophobicContact CE1-CG2 4.25Å; F222-V226 HydrophobicContact CE2-CB 4.2Å; F222-V226 HydrophobicContact CE2-CG2 3.96Å; F222-V226 HydrophobicContact CZ-CB 4.24Å; F222-V226 HydrophobicContact CZ-CG2 3.71Å; F222-V226 WeakPolarHBondContact O-CA 3.3Å; F222-V226 VanDerWaalsContact O-CB 3.27Å; F222-V226 WeakPolarHBondContact O-CB 3.06Å; F222-V226 PolarHBondContact O-N 2.73Å; V226-L229 PolarHBondContact O-N 3.25Å; V226-F230 HydrophobicContact CG2-CD2 3.95Å; V226-F230 HydrophobicContact CG2-CE2 3.95Å; V226-F230 WeakPolarHBondContact O-CD2 3.28Å; V226-F230 PolarHBondContact O-N 3.36Å; V226-C254 HydrophobicContact CG2-CB 3.68Å
227R95Very high97.2Very high198 Ų19868.2 Ų68.275%0.74732%0.322SS*.Hα-helixtrans-64.1-56.9178.8-179.2178.8174.51693.8111.7K225 L229 F230 E231K225-R227 VanDerWaalsContact C-N 3.28Å; K225-R227 PolarHBondContact O-N 3.45Å; K225-R227 VanDerWaalsContact O-N 3.09Å; R227-L229 PolarHBondContact O-N 2.79Å; R227-F230 PolarHBondContact O-N 2.9Å; R227-E231 WeakPolarHBondContact CG-OE1 3.25Å; R227-E231 IonicContact NE-OE1 2.95Å; R227-E231 PolarHBondContact NE-OE1 2.81Å; R227-E231 WeakPolarHBondContact O-CG 3.39Å; R227-E231 PolarHBondContact O-N 3.45Å; R227-E231 VanDerWaalsContact O-N 3.17Å
228S97.3Very high97.2Very high54 Ų5467.5 Ų67.538%0.37832%0.318SS..Hα-helixtrans-63.3-24.1-179.960.10000113.9K225K225-S228 PolarHBondContact O-N 3.16Å; K225-S228 VanDerWaalsContact O-N 3.08Å; K225-S228 PolarHBondContact O-OG 2.88Å
229L97.7Very high97.3Very high27 Ų2767.2 Ų67.214%0.14132%0.317CS..Hα-helixtrans-69.5-52.3177.218061.8000110.4V191 V215 L217 F222 K225 V226 R227 E231 K232 M233V191-L229 HydrophobicContact CG1-CD2 3.81Å; V191-L229 HydrophobicContact CG2-CD2 4.06Å; V215-L229 HydrophobicContact CG1-CD1 4.23Å; V215-L229 HydrophobicContact CG1-CD2 4.28Å; V215-L229 HydrophobicContact CG2-CD1 4.12Å; L217-L229 HydrophobicContact CD1-CD2 4.15Å; F222-L229 HydrophobicContact CD2-CD2 4.32Å; F222-L229 HydrophobicContact CE2-CD2 4.22Å; K225-L229 WeakPolarHBondContact O-CB 3.45Å; K225-L229 PolarHBondContact O-N 3.49Å; V226-L229 PolarHBondContact O-N 3.25Å; R227-L229 PolarHBondContact O-N 2.79Å; L229-E231 VanDerWaalsContact C-N 3.25Å; L229-E231 PolarHBondContact O-N 3.39Å; L229-K232 PolarHBondContact O-N 2.92Å; L229-M233 HydrophobicContact CD1-SD 3.71Å; L229-M233 HydrophobicContact CD2-SD 4.39Å; L229-M233 HydrophobicContact CG-SD 3.79Å; L229-M233 PolarHBondContact O-N 3.06Å
230F97.3Very high97.4Very high30 Ų3064.5 Ų64.513%0.13230%0.304CS..Hα-helixtrans-83.34.2-178.5-62.4-61.8000114.4V165 V191 F222 V226 R227 K232 M233 P234 P236 C254V165-F230 HydrophobicContact CG1-CE1 4.32Å; V191-F230 HydrophobicContact CG2-CE1 4.1Å; V191-F230 HydrophobicContact CG2-CZ 4.06Å; F222-F230 AromaticContact CE2-CE2 3.9Å; F222-F230 HydrophobicContact CE2-CE2 3.9Å; F222-F230 HydrophobicContact CE2-CZ 4.34Å; F222-F230 HydrophobicContact CZ-CE2 4.17Å; V226-F230 HydrophobicContact CG2-CD2 3.95Å; V226-F230 HydrophobicContact CG2-CE2 3.95Å; V226-F230 WeakPolarHBondContact O-CD2 3.28Å; V226-F230 PolarHBondContact O-N 3.36Å; R227-F230 PolarHBondContact O-N 2.9Å; F230-K232 VanDerWaalsContact C-N 3.31Å; F230-M233 CarbonylContact C-O 3.47Å; F230-M233 WeakPolarHBondContact CA-O 3.5Å; F230-M233 HydrophobicContact CD1-CG 3.54Å; F230-M233 HydrophobicContact CD1-SD 4.12Å; F230-M233 HydrophobicContact CE1-CG 3.86Å; F230-M233 HydrophobicContact CE1-SD 3.86Å; F230-M233 VanDerWaalsContact O-O 3.07Å; F230-P234 WeakPolarHBondContact CD1-O 3.47Å; F230-P236 HydrophobicContact CE1-CG 4.18Å; F230-P236 HydrophobicContact CZ-CG 3.99Å; F230-C254 HydrophobicContact CD2-CB 3.6Å; F230-C254 HydrophobicContact CE2-CB 3.39Å; F230-C254 WeakPolarHBondContact CE2-SG 3.44Å; F230-C254 HydrophobicContact CZ-CB 4.31Å
231E96.5Very high97.5Very high128 Ų12861.4 Ų61.460%0.59829%0.285SS*.THydrogen-bonded Turntrans-77.1-21.1159.4-75.2167.2-175.200111.7R227 L229R227-E231 WeakPolarHBondContact CG-OE1 3.25Å; R227-E231 IonicContact NE-OE1 2.95Å; R227-E231 PolarHBondContact NE-OE1 2.81Å; R227-E231 WeakPolarHBondContact O-CG 3.39Å; R227-E231 PolarHBondContact O-N 3.45Å; R227-E231 VanDerWaalsContact O-N 3.17Å; L229-E231 VanDerWaalsContact C-N 3.25Å; L229-E231 PolarHBondContact O-N 3.39Å
232K95.2Very high97.3Very high185 Ų18560 Ų6080%0.80428%0.279SS*.THydrogen-bonded Turntrans-109.7-9.1-175.8-60.1178.6-176.3-178.10113.9L229 F230L229-K232 PolarHBondContact O-N 2.92Å; F230-K232 VanDerWaalsContact C-N 3.31Å
233M96.5Very high97.1Very high32 Ų3261 Ų6116%0.15829%0.285CS..SBendtrans-145.5155.3178.474.1-168.9-55.400110.2V165 V191 L229 F230V165-M233 HydrophobicContact CB-CE 4.39Å; V165-M233 HydrophobicContact CG1-CE 3.67Å; V165-M233 HydrophobicContact CG2-CE 3.74Å; V191-M233 HydrophobicContact CG2-CE 3.76Å; V191-M233 HydrophobicContact CG2-SD 3.71Å; L229-M233 HydrophobicContact CD1-SD 3.71Å; L229-M233 HydrophobicContact CD2-SD 4.39Å; L229-M233 HydrophobicContact CG-SD 3.79Å; L229-M233 PolarHBondContact O-N 3.06Å; F230-M233 CarbonylContact C-O 3.47Å; F230-M233 WeakPolarHBondContact CA-O 3.5Å; F230-M233 HydrophobicContact CD1-CG 3.54Å; F230-M233 HydrophobicContact CD1-SD 4.12Å; F230-M233 HydrophobicContact CE1-CG 3.86Å; F230-M233 HydrophobicContact CE1-SD 3.86Å; F230-M233 VanDerWaalsContact O-O 3.07Å
234P97.7Very high97Very high77 Ų7756.3 Ų56.350%0.527%0.267SS..PPolyproline II helixtrans-56.9144.2177.6-23.833.8000112.5V165 F230V165-P234 HydrophobicContact CG2-CB 4.19Å; V165-P234 HydrophobicContact CG2-CG 4.4Å; V165-P234 WeakPolarHBondContact CG2-O 3.37Å; F230-P234 WeakPolarHBondContact CD1-O 3.47Å
235S98.3Very high96.9Very high50 Ų5048.9 Ų48.935%0.3524%0.241SC..PPolyproline II helixtrans-58.4136.5169.2-65.80000110.3K237 C254S235-K237 PolarHBondContact O-N 2.85Å; S235-C254 WeakPolarHBondContact CB-O 3.15Å
236P98.7Very high96.7Very high0 Ų054.1 Ų54.10%026%0.258CS..PPolyproline II helixtrans-63.8137.6-176.922-33000111.6V165 V167 F230 C254 L255 A256V165-P236 HydrophobicContact CB-CB 4.36Å; V165-P236 HydrophobicContact CG1-CB 4.15Å; V165-P236 WeakPolarHBondContact O-CA 3.38Å; V165-P236 WeakPolarHBondContact O-CB 3.39Å; V167-P236 HydrophobicContact CB-CB 4.17Å; V167-P236 HydrophobicContact CB-CG 4.09Å; V167-P236 HydrophobicContact CG1-CB 3.88Å; V167-P236 HydrophobicContact CG1-CG 3.68Å; F230-P236 HydrophobicContact CE1-CG 4.18Å; F230-P236 HydrophobicContact CZ-CG 3.99Å; P236-C254 WeakPolarHBondContact CD-O 3.12Å; P236-L255 HydrophobicContact CB-CD2 4.37Å; P236-L255 HydrophobicContact CG-CD2 4.33Å; P236-L255 WeakPolarHBondContact O-CA 3.31Å; P236-L255 VanDerWaalsContact O-CD2 3.27Å; P236-L255 WeakPolarHBondContact O-CD2 3.29Å; P236-A256 PolarHBondContact O-N 3.19Å
237K98.6Very high96.5Very high79 Ų7953.9 Ų53.934%0.34326%0.262SS..SBendtrans-85.1-22.9172.5-64.4-179.6-178.7165.70111.9V158 L160 D164 V165 S235 A256 G259 K260V158-K237 HydrophobicContact CG1-CB 3.9Å; V158-K237 HydrophobicContact CG1-CD 4.32Å; L160-K237 HydrophobicContact CD2-CB 4.34Å; D164-K237 WeakPolarHBondContact OD1-CE 3.28Å; D164-K237 IonicContact OD1-NZ 2.75Å; D164-K237 PolarHBondContact OD1-NZ 3.44Å; D164-K237 WeakPolarHBondContact OD2-CD 3.36Å; D164-K237 IonicContact OD2-NZ 3.36Å; D164-K237 PolarHBondContact OD2-NZ 2.91Å; V165-K237 PolarHBondContact O-N 3.29Å; V165-K237 VanDerWaalsContact O-N 3.15Å; S235-K237 PolarHBondContact O-N 2.85Å; K237-A256 HydrophobicContact CG-CB 4.45Å; K237-G259 CarbonylContact O-C 3.57Å; K237-G259 VanDerWaalsContact O-CA 3.24Å; K237-G259 WeakPolarHBondContact O-CA 3.17Å; K237-K260 PolarHBondContact O-N 2.9Å
238L98.9Very high96.6Very high0 Ų044.5 Ų44.50%023%0.226CC..EExtended strand (participates in β ladder)trans-133.1132-178.5179.565000110.6L154 F157 V158 L160 V166 V167 L240 K260 V262L154-L238 HydrophobicContact CD2-CD2 4.28Å; F157-L238 HydrophobicContact CB-CD1 4.15Å; V158-L238 HydrophobicContact CB-CB 4.48Å; V158-L238 HydrophobicContact CG2-CB 4.1Å; V158-L238 HydrophobicContact CG2-CD1 4.25Å; L160-L238 HydrophobicContact CD1-CD2 3.93Å; L160-L238 HydrophobicContact CD2-CB 4.43Å; V166-L238 WeakPolarHBondContact CA-O 3.34Å; V166-L238 HydrophobicContact CG2-CB 4.24Å; V166-L238 HydrophobicContact CG2-CD2 4.3Å; V167-L238 PolarHBondContact N-O 2.87Å; L238-L240 HydrophobicContact CD1-CD2 4.02Å; L238-L240 HydrophobicContact CD2-CD2 3.93Å; L238-L240 HydrophobicContact CD2-CG 4.44Å; L238-L240 HydrophobicContact CG-CD2 3.87Å; L238-L240 HydrophobicContact CG-CG 4.34Å; L238-K260 CarbonylContact C-O 3.52Å; L238-K260 WeakPolarHBondContact CA-O 3.38Å; L238-K260 HydrophobicContact CD1-CB 4.26Å; L238-V262 HydrophobicContact CD1-CB 4.47Å; L238-V262 HydrophobicContact CD1-CG2 3.62Å
239A98.8Very high96.6Very high0 Ų045 Ų450%022%0.224CC..EExtended strand (participates in β ladder)trans-114.8129.3170.100000109.9V167 M251 L255 K260 L261 V262V167-A239 HydrophobicContact CG1-CB 3.59Å; V167-A239 CarbonylContact O-C 3.55Å; V167-A239 WeakPolarHBondContact O-CA 3.37Å; A239-M251 HydrophobicContact CB-CE 4.35Å; A239-L255 HydrophobicContact CB-CD1 4.26Å; A239-L255 HydrophobicContact CB-CD2 3.84Å; A239-L255 HydrophobicContact CB-CG 4.26Å; A239-K260 PolarHBondContact N-O 2.97Å; A239-L261 HydrophobicContact CB-CB 4.27Å; A239-L261 HydrophobicContact CB-CD1 4.48Å; A239-L261 HydrophobicContact CB-CG 4.1Å; A239-L261 CarbonylContact O-C 3.53Å; A239-L261 WeakPolarHBondContact O-CA 3.1Å; A239-V262 PolarHBondContact O-N 2.93Å
240L98.8Very high96.5Very high0 Ų047.3 Ų47.30%023%0.231CC..EExtended strand (participates in β ladder)trans-108.8120.5177.5-56.6-179.6000110.5M153 L154 V166 V167 Q168 N169 V179 L238 V262 Y264M153-L240 HydrophobicContact CB-CD1 4.49Å; M153-L240 HydrophobicContact CB-CD2 3.85Å; M153-L240 HydrophobicContact CE-CD1 4.15Å; M153-L240 HydrophobicContact CE-CD2 4.46Å; M153-L240 HydrophobicContact CG-CD2 4.41Å; M153-L240 HydrophobicContact SD-CD2 4.03Å; L154-L240 HydrophobicContact CD2-CD1 4.43Å; V166-L240 HydrophobicContact CG1-CD1 4.08Å; V166-L240 HydrophobicContact CG1-CG 4.12Å; V167-L240 PolarHBondContact O-N 2.99Å; Q168-L240 VanDerWaalsContact CA-O 3.31Å; Q168-L240 WeakPolarHBondContact CA-O 3.45Å; Q168-L240 HydrophobicContact CB-CB 3.95Å; N169-L240 PolarHBondContact N-O 3.27Å; N169-L240 VanDerWaalsContact N-O 3.14Å; V179-L240 HydrophobicContact CB-CD1 4.42Å; V179-L240 HydrophobicContact CG1-CD1 3.83Å; V179-L240 HydrophobicContact CG2-CD1 3.67Å; L238-L240 HydrophobicContact CD1-CD2 4.02Å; L238-L240 HydrophobicContact CD2-CD2 3.93Å; L238-L240 HydrophobicContact CD2-CG 4.44Å; L238-L240 HydrophobicContact CG-CD2 3.87Å; L238-L240 HydrophobicContact CG-CG 4.34Å; L240-V262 HydrophobicContact CD2-CB 4Å; L240-Y264 HydrophobicContact CB-CE1 4.23Å
241N98.1Very high96.5Very high0 Ų046 Ų460%023%0.225CC..EExtended strand (participates in β ladder)trans-116.8119.7-174.4172.939.1000112.1N169 V243 S244 I248 L261 V262 T263 Y264 G265N169-N241 PolarHBondContact ND2-OD1 3.11Å; N169-N241 WeakPolarHBondContact OD1-CA 3.37Å; N169-N241 PolarHBondContact OD1-OD1 2.94Å; N241-V243 PolarHBondContact OD1-N 2.99Å; N241-V243 VanDerWaalsContact OD1-N 3.09Å; N241-S244 PolarHBondContact ND2-OG 3.06Å; N241-S244 PolarHBondContact OD1-N 2.66Å; N241-I248 HydrophobicContact CB-CD1 4.15Å; N241-I248 VanDerWaalsContact CG-CD1 3.46Å; N241-I248 WeakPolarHBondContact OD1-CD1 3.46Å; N241-L261 HydrophobicContact CB-CD2 4.06Å; N241-V262 PolarHBondContact N-O 2.88Å; N241-T263 WeakPolarHBondContact ND2-CG2 3.33Å; N241-T263 PolarHBondContact ND2-OG1 3.03Å; N241-T263 WeakPolarHBondContact O-CA 3.26Å; N241-Y264 WeakPolarHBondContact O-CD1 3Å; N241-Y264 PolarHBondContact O-N 2.75Å; N241-G265 PolarHBondContact O-N 3.39Å
242C94.7Very high96.5Very high5 Ų539.9 Ų39.93%0.03420%0.197CC..SBendtrans-116.1-7.3168.264.20000114.8N169 Y264 G265 G266 M267N169-C242 PolarHBondContact O-SG 3.4Å; N169-C242 PolarHBondContact OD1-N 3.46Å; C242-Y264 HydrophobicContact CB-CD1 4.39Å; C242-Y264 HydrophobicContact CB-CD2 4.39Å; C242-Y264 HydrophobicContact CB-CE1 3.76Å; C242-Y264 HydrophobicContact CB-CE2 3.74Å; C242-Y264 VanDerWaalsContact CB-CZ 3.42Å; C242-Y264 WeakPolarHBondContact CB-OH 3.17Å; C242-G265 CarbonylContact C-O 3.56Å; C242-G265 CarbonylContact O-C 3.54Å; C242-G266 PolarHBondContact O-N 3.49Å; C242-G266 VanDerWaalsContact O-N 3.16Å; C242-M267 HydrophobicContact CB-CE 4.24Å; C242-M267 WeakPolarHBondContact O-CG 3.36Å; C242-M267 PolarHBondContact O-N 3.35Å; C242-M267 WeakPolarHBondContact SG-CE 3.44Å
243V93.9Very high96.6Very high23 Ų2332.5 Ų32.514%0.13917%0.173CC..SBendtrans-100.4-45-173.1-175.20000112N169 N241 G266 M267 S268N169-V243 HydrophobicContact CB-CG2 4.11Å; N169-V243 PolarHBondContact OD1-N 3.32Å; N241-V243 PolarHBondContact OD1-N 2.99Å; N241-V243 VanDerWaalsContact OD1-N 3.09Å; V243-G266 CarbonylContact O-C 3.54Å; V243-M267 HydrophobicContact CG2-CE 3.69Å; V243-M267 PolarHBondContact O-N 2.75Å; V243-S268 VanDerWaalsContact O-CB 3.27Å; V243-S268 WeakPolarHBondContact O-CB 3.44Å; V243-S268 PolarHBondContact O-N 2.68Å; V243-S268 PolarHBondContact O-OG 3.08Å
244S94.9Very high96.6Very high15 Ų1531.4 Ų31.411%0.10517%0.169CC..  trans63-165.3-164.4-61.70000113.7N241 Q270N241-S244 PolarHBondContact ND2-OG 3.06Å; N241-S244 PolarHBondContact OD1-N 2.66Å; S244-Q270 VanDerWaalsContact CB-O 3.29Å; S244-Q270 WeakPolarHBondContact CB-O 3.21Å
245G94.6Very high96.6Very high7 Ų727.7 Ų27.77%0.07215%0.145CC..BIsolated β-bridgetrans85.8-170.9-178.300000114.6G247 I248 P271G245-G247 VanDerWaalsContact C-N 3.31Å; G245-G247 PolarHBondContact O-N 3.34Å; G245-I248 WeakPolarHBondContact O-CB 3.42Å; G245-I248 VanDerWaalsContact O-CG1 3.24Å; G245-I248 WeakPolarHBondContact O-CG1 3.46Å; G245-I248 PolarHBondContact O-N 2.93Å; G245-P271 WeakPolarHBondContact CA-O 3.41Å; G245-P271 PolarHBondContact N-O 3.04Å
246R93.2Very high96.6Very high198 Ų19826 Ų2675%0.74713%0.134SC*.THydrogen-bonded Turntrans-68.2-25.5-171.3-71.7-172.9-75.2-164.9-4.6114.2I248 I249R246-I248 PolarHBondContact O-N 3.43Å; R246-I248 VanDerWaalsContact O-N 3.12Å; R246-I249 WeakPolarHBondContact O-CB 3.24Å; R246-I249 WeakPolarHBondContact O-CG1 3.45Å; R246-I249 PolarHBondContact O-N 2.82Å; R246-I249 VanDerWaalsContact O-N 3.11Å
247G92.8Very high96.6Very high24 Ų2430.8 Ų30.825%0.24717%0.165CC..THydrogen-bonded Turntrans-57.5-25.9176.700000113G245 I249 Y250G245-G247 VanDerWaalsContact C-N 3.31Å; G245-G247 PolarHBondContact O-N 3.34Å; G247-I249 PolarHBondContact O-N 3.47Å; G247-Y250 PolarHBondContact O-N 3.33Å
248I95.8Very high96.6Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-60.3-28.3177.8-57.2-56.6000113N169 N241 G245 R246 Y250 M251 A252 L261 L272 H273N169-I248 WeakPolarHBondContact ND2-CD1 3.36Å; N241-I248 HydrophobicContact CB-CD1 4.15Å; N241-I248 VanDerWaalsContact CG-CD1 3.46Å; N241-I248 WeakPolarHBondContact OD1-CD1 3.46Å; G245-I248 WeakPolarHBondContact O-CB 3.42Å; G245-I248 VanDerWaalsContact O-CG1 3.24Å; G245-I248 WeakPolarHBondContact O-CG1 3.46Å; G245-I248 PolarHBondContact O-N 2.93Å; R246-I248 PolarHBondContact O-N 3.43Å; R246-I248 VanDerWaalsContact O-N 3.12Å; I248-Y250 PolarHBondContact O-N 3.04Å; I248-M251 HydrophobicContact CD1-SD 4.14Å; I248-M251 PolarHBondContact O-N 3.23Å; I248-M251 VanDerWaalsContact O-N 3.16Å; I248-A252 HydrophobicContact CG2-CB 4.43Å; I248-A252 VanDerWaalsContact O-CB 3.32Å; I248-A252 WeakPolarHBondContact O-CB 3.33Å; I248-A252 PolarHBondContact O-N 3.39Å; I248-L261 HydrophobicContact CG2-CD1 3.67Å; I248-L272 HydrophobicContact CB-CD1 4.44Å; I248-L272 HydrophobicContact CG1-CD1 4.14Å; I248-L272 HydrophobicContact CG2-CD1 3.79Å; I248-H273 WeakPolarHBondContact CG2-O 3.49Å
249I96.9Very high96.6Very high64 Ų6433.1 Ų33.133%0.32818%0.176SC..Hα-helixtrans-55.6-41.2179.1-65.5170.8000110.9R246 G247 G253 H273 P275R246-I249 WeakPolarHBondContact O-CB 3.24Å; R246-I249 WeakPolarHBondContact O-CG1 3.45Å; R246-I249 PolarHBondContact O-N 2.82Å; R246-I249 VanDerWaalsContact O-N 3.11Å; G247-I249 PolarHBondContact O-N 3.47Å; I249-G253 WeakPolarHBondContact O-CA 3.23Å; I249-G253 PolarHBondContact O-N 3.23Å; I249-H273 HydrophobicContact CD1-CB 4.1Å; I249-H273 HydrophobicContact CG1-CB 3.83Å; I249-H273 PolarHBondContact N-O 2.88Å; I249-P275 HydrophobicContact CG2-CB 4.34Å; I249-P275 HydrophobicContact CG2-CG 4.36Å
250Y96.6Very high96.6Very high77 Ų7735.5 Ų35.530%0.30219%0.186SC..Hα-helixtrans-75.5-39-179.4-57.4-75000112K223 G247 I248 G253 C254K223-Y250 HydrophobicContact CB-CD1 4.43Å; K223-Y250 HydrophobicContact CB-CD2 4.19Å; K223-Y250 HydrophobicContact CB-CE1 4.4Å; K223-Y250 HydrophobicContact CB-CE2 4.15Å; K223-Y250 HydrophobicContact CB-CG 4.34Å; K223-Y250 HydrophobicContact CD-CD2 4.49Å; K223-Y250 HydrophobicContact CD-CE1 4.21Å; K223-Y250 HydrophobicContact CD-CE2 3.64Å; K223-Y250 VanDerWaalsContact CD-CZ 3.48Å; K223-Y250 WeakPolarHBondContact CD-OH 3.32Å; K223-Y250 WeakPolarHBondContact CE-OH 3.44Å; K223-Y250 HydrophobicContact CG-CD1 4.23Å; K223-Y250 HydrophobicContact CG-CD2 4.34Å; K223-Y250 HydrophobicContact CG-CE1 3.73Å; K223-Y250 HydrophobicContact CG-CE2 3.84Å; K223-Y250 PolarHBondContact NZ-OH 3.08Å; K223-Y250 VanDerWaalsContact NZ-OH 3.13Å; G247-Y250 PolarHBondContact O-N 3.33Å; I248-Y250 PolarHBondContact O-N 3.04Å; Y250-G253 PolarHBondContact O-N 2.91Å; Y250-C254 PolarHBondContact O-N 2.81Å; Y250-C254 VanDerWaalsContact O-N 3.13Å
251M97.3Very high96.6Very high1 Ų135.5 Ų35.51%0.00519%0.186CC..Hα-helixtrans-65.6-48.3176.1-70.917869.800111.6V167 N169 L193 F222 A239 I248 G253 C254V167-M251 HydrophobicContact CG1-CE 4.31Å; V167-M251 HydrophobicContact CG2-CE 4.23Å; V167-M251 HydrophobicContact CG2-CG 4.33Å; N169-M251 HydrophobicContact CB-CE 4.18Å; N169-M251 HydrophobicContact CB-SD 3.67Å; L193-M251 HydrophobicContact CD1-CG 3.64Å; L193-M251 HydrophobicContact CD1-SD 3.8Å; F222-M251 HydrophobicContact CE1-CG 4.01Å; A239-M251 HydrophobicContact CB-CE 4.35Å; I248-M251 HydrophobicContact CD1-SD 4.14Å; I248-M251 PolarHBondContact O-N 3.23Å; I248-M251 VanDerWaalsContact O-N 3.16Å; M251-G253 VanDerWaalsContact C-N 3.32Å; M251-G253 PolarHBondContact O-N 3.41Å; M251-C254 PolarHBondContact O-N 3.48Å; M251-C254 PolarHBondContact O-SG 3.4Å
252A97.3Very high96.6Very high0 Ų035.5 Ų35.50%019%0.186CC..Hα-helixtrans-64.9-38.2176.400000111.4I248 C254 L255 L261 V274 P275 I284I248-A252 HydrophobicContact CG2-CB 4.43Å; I248-A252 VanDerWaalsContact O-CB 3.32Å; I248-A252 WeakPolarHBondContact O-CB 3.33Å; I248-A252 PolarHBondContact O-N 3.39Å; A252-C254 VanDerWaalsContact C-N 3.3Å; A252-C254 PolarHBondContact O-N 3.05Å; A252-L255 PolarHBondContact O-N 3.06Å; A252-L261 HydrophobicContact CB-CD1 3.93Å; A252-V274 HydrophobicContact CB-CG1 4.38Å; A252-P275 HydrophobicContact CB-CG 4.31Å; A252-I284 HydrophobicContact CB-CD1 3.9Å
253G96.1Very high96.8Very high30 Ų3036.7 Ų36.731%0.30919%0.193SC..Hα-helixtrans-64.4-30.1178.800000114I249 Y250 M251 K282I249-G253 WeakPolarHBondContact O-CA 3.23Å; I249-G253 PolarHBondContact O-N 3.23Å; Y250-G253 PolarHBondContact O-N 2.91Å; M251-G253 VanDerWaalsContact C-N 3.32Å; M251-G253 PolarHBondContact O-N 3.41Å; G253-K282 PolarHBondContact O-NZ 2.87Å
254C97Very high96.9Very high9 Ų937.7 Ų37.76%0.06120%0.195CC..Hα-helixtrans-86.4-9.8179.977.30000114.8V226 F230 S235 P236 Y250 M251 A252V226-C254 HydrophobicContact CG2-CB 3.68Å; F230-C254 HydrophobicContact CD2-CB 3.6Å; F230-C254 HydrophobicContact CE2-CB 3.39Å; F230-C254 WeakPolarHBondContact CE2-SG 3.44Å; F230-C254 HydrophobicContact CZ-CB 4.31Å; S235-C254 WeakPolarHBondContact CB-O 3.15Å; P236-C254 WeakPolarHBondContact CD-O 3.12Å; Y250-C254 PolarHBondContact O-N 2.81Å; Y250-C254 VanDerWaalsContact O-N 3.13Å; M251-C254 PolarHBondContact O-N 3.48Å; M251-C254 PolarHBondContact O-SG 3.4Å; A252-C254 VanDerWaalsContact C-N 3.3Å; A252-C254 PolarHBondContact O-N 3.05Å
255L98.4Very high96.8Very high0 Ų038.3 Ų38.30%020%0.204CC..PPolyproline II helixtrans-55.9145.8177.5-77.5171.8000112P236 A239 A252 L261 K282 I284P236-L255 HydrophobicContact CB-CD2 4.37Å; P236-L255 HydrophobicContact CG-CD2 4.33Å; P236-L255 WeakPolarHBondContact O-CA 3.31Å; P236-L255 VanDerWaalsContact O-CD2 3.27Å; P236-L255 WeakPolarHBondContact O-CD2 3.29Å; A239-L255 HydrophobicContact CB-CD1 4.26Å; A239-L255 HydrophobicContact CB-CD2 3.84Å; A239-L255 HydrophobicContact CB-CG 4.26Å; A252-L255 PolarHBondContact O-N 3.06Å; L255-L261 HydrophobicContact CD1-CB 4.12Å; L255-K282 WeakPolarHBondContact O-CD 3.41Å; L255-K282 PolarHBondContact O-NZ 3.41Å; L255-I284 HydrophobicContact CB-CG2 3.85Å; L255-I284 HydrophobicContact CD1-CB 4.2Å; L255-I284 HydrophobicContact CD1-CD1 4.33Å; L255-I284 HydrophobicContact CD1-CG2 4.07Å
256A98.2Very high96.7Very high15 Ų1539.8 Ų39.812%0.12422%0.219CC..PPolyproline II helixtrans-62.3159.5166.500000110.7P236 K237 K258 G259P236-A256 PolarHBondContact O-N 3.19Å; K237-A256 HydrophobicContact CG-CB 4.45Å; A256-K258 PolarHBondContact O-N 3.17Å; A256-G259 WeakPolarHBondContact O-CA 3.33Å; A256-G259 PolarHBondContact O-N 3.12Å
257P98.2Very high96.3Very high100 Ų10035.9 Ų35.965%0.64921%0.211SC*.THydrogen-bonded Turntrans-51135.6169.7-25.735.1000111.3G259 K282P257-G259 PolarHBondContact O-N 3.2Å; P257-G259 VanDerWaalsContact O-N 3.09Å; P257-K282 CarbonylContact C-O 3.46Å; P257-K282 VanDerWaalsContact CA-O 3.32Å; P257-K282 WeakPolarHBondContact CA-O 3.4Å
258K98.4Very high96.1Very high125 Ų12536.8 Ų36.854%0.54321%0.213SC..THydrogen-bonded Turntrans60.213.1-175.9-56177.2179.6179.80114.5A256 K282 E283A256-K258 PolarHBondContact O-N 3.17Å; K258-K282 PolarHBondContact N-O 3.18Å; K258-E283 WeakPolarHBondContact CA-O 3.29Å; K258-E283 WeakPolarHBondContact CE-OE2 3.49Å; K258-E283 HydrophobicContact CG-CB 4.1Å
259G98.5Very high95.8Very high3 Ų344.6 Ų44.63%0.03125%0.247CC..  trans-60.7151.9173.800000111.4K237 A256 P257 I284 Q285K237-G259 CarbonylContact O-C 3.57Å; K237-G259 VanDerWaalsContact O-CA 3.24Å; K237-G259 WeakPolarHBondContact O-CA 3.17Å; A256-G259 WeakPolarHBondContact O-CA 3.33Å; A256-G259 PolarHBondContact O-N 3.12Å; P257-G259 PolarHBondContact O-N 3.2Å; P257-G259 VanDerWaalsContact O-N 3.09Å; G259-I284 CarbonylContact O-C 3.5Å; G259-I284 VanDerWaalsContact O-CA 3.29Å; G259-I284 WeakPolarHBondContact O-CA 3.45Å; G259-I284 WeakPolarHBondContact O-CB 3.23Å; G259-Q285 PolarHBondContact O-N 3.13Å
260K98.8Very high95.7Very high49 Ų4947 Ų4721%0.21326%0.257CS..EExtended strand (participates in β ladder)trans-110.8132.8-174.9-57.1-169-177.3-178.50110.8F157 V158 K237 L238 A239 Q285F157-K260 HydrophobicContact CB-CD 4.15Å; F157-K260 WeakPolarHBondContact O-CD 3.47Å; F157-K260 WeakPolarHBondContact O-CE 3.26Å; F157-K260 PolarHBondContact O-NZ 3.38Å; V158-K260 HydrophobicContact CG2-CB 4.1Å; V158-K260 HydrophobicContact CG2-CD 3.95Å; V158-K260 HydrophobicContact CG2-CG 3.96Å; K237-K260 PolarHBondContact O-N 2.9Å; L238-K260 CarbonylContact C-O 3.52Å; L238-K260 WeakPolarHBondContact CA-O 3.38Å; L238-K260 HydrophobicContact CD1-CB 4.26Å; A239-K260 PolarHBondContact N-O 2.97Å; K260-Q285 CarbonylContact C-O 3.58Å; K260-Q285 WeakPolarHBondContact CA-O 3.1Å; K260-Q285 VanDerWaalsContact CE-OE1 3.26Å; K260-Q285 HydrophobicContact CG-CB 4.24Å
261L98.7Very high95.6Very high0 Ų047.1 Ų47.10%027%0.267CS..EExtended strand (participates in β ladder)trans-104.7115.3167.9-171.6156.3000108.6A239 N241 I248 A252 L255 T263 L272 Q285 L286 H287A239-L261 HydrophobicContact CB-CB 4.27Å; A239-L261 HydrophobicContact CB-CD1 4.48Å; A239-L261 HydrophobicContact CB-CG 4.1Å; A239-L261 CarbonylContact O-C 3.53Å; A239-L261 WeakPolarHBondContact O-CA 3.1Å; N241-L261 HydrophobicContact CB-CD2 4.06Å; I248-L261 HydrophobicContact CG2-CD1 3.67Å; A252-L261 HydrophobicContact CB-CD1 3.93Å; L255-L261 HydrophobicContact CD1-CB 4.12Å; L261-T263 VanDerWaalsContact CD2-OG1 3.3Å; L261-T263 WeakPolarHBondContact CD2-OG1 3.27Å; L261-L272 HydrophobicContact CD2-CD1 4.22Å; L261-Q285 PolarHBondContact N-O 2.86Å; L261-L286 HydrophobicContact CB-CD2 3.84Å; L261-L286 HydrophobicContact CD1-CD2 4.46Å; L261-L286 HydrophobicContact CD2-CD2 4.46Å; L261-L286 HydrophobicContact CG-CD2 4.48Å; L261-H287 PolarHBondContact O-N 2.86Å
262V98.8Very high95.5Very high0 Ų050.2 Ų50.20%028%0.283CS..EExtended strand (participates in β ladder)trans-104.1114.7179.6-178.50000109.1M153 F157 L238 A239 L240 N241 H287 F289M153-V262 HydrophobicContact CG-CG1 4.17Å; M153-V262 HydrophobicContact SD-CG1 4.18Å; F157-V262 HydrophobicContact CB-CG2 3.94Å; F157-V262 HydrophobicContact CD1-CG2 3.57Å; F157-V262 HydrophobicContact CD2-CG1 4.17Å; F157-V262 HydrophobicContact CD2-CG2 3.63Å; F157-V262 HydrophobicContact CE1-CG1 4.32Å; F157-V262 HydrophobicContact CE1-CG2 3.94Å; F157-V262 HydrophobicContact CE2-CG1 3.71Å; F157-V262 HydrophobicContact CE2-CG2 3.98Å; F157-V262 HydrophobicContact CG-CG2 3.4Å; F157-V262 VanDerWaalsContact CG-CG2 3.4Å; F157-V262 HydrophobicContact CZ-CG1 3.79Å; F157-V262 HydrophobicContact CZ-CG2 4.12Å; L238-V262 HydrophobicContact CD1-CB 4.47Å; L238-V262 HydrophobicContact CD1-CG2 3.62Å; A239-V262 PolarHBondContact O-N 2.93Å; L240-V262 HydrophobicContact CD2-CB 4Å; N241-V262 PolarHBondContact N-O 2.88Å; V262-H287 CarbonylContact C-O 3.42Å; V262-H287 WeakPolarHBondContact CA-O 3.42Å; V262-H287 HydrophobicContact CG2-CB 4.24Å; V262-F289 HydrophobicContact CG1-CB 3.56Å
263T98.3Very high95.3Very high30 Ų3053.6 Ų53.618%0.18430%0.299CS..EExtended strand (participates in β ladder)trans-96119174.6-62.10000109.8N241 L261 G265 H287 G288 F289N241-T263 WeakPolarHBondContact ND2-CG2 3.33Å; N241-T263 PolarHBondContact ND2-OG1 3.03Å; N241-T263 WeakPolarHBondContact O-CA 3.26Å; L261-T263 VanDerWaalsContact CD2-OG1 3.3Å; L261-T263 WeakPolarHBondContact CD2-OG1 3.27Å; T263-G265 WeakPolarHBondContact CG2-O 3.29Å; T263-H287 PolarHBondContact N-O 3.06Å; T263-G288 CarbonylContact O-C 3.55Å; T263-G288 WeakPolarHBondContact O-CA 3.1Å; T263-F289 PolarHBondContact O-N 3.31Å
264Y96.9Very high95.2Very high44 Ų4454 Ų5417%0.17330%0.295CS..  trans-122-0.5179.972.7-84000113.2T149 M153 V175 L240 N241 C242 F289T149-Y264 HydrophobicContact CG2-CD2 4.03Å; M153-Y264 HydrophobicContact CE-CD1 3.79Å; M153-Y264 HydrophobicContact CE-CD2 4.29Å; M153-Y264 HydrophobicContact CE-CE1 3.79Å; M153-Y264 HydrophobicContact CE-CE2 4.3Å; M153-Y264 HydrophobicContact CE-CG 4.03Å; M153-Y264 HydrophobicContact SD-CD1 3.27Å; M153-Y264 WeakPolarHBondContact SD-CD1 3.09Å; M153-Y264 HydrophobicContact SD-CD2 4.24Å; M153-Y264 HydrophobicContact SD-CE1 3.88Å; M153-Y264 HydrophobicContact SD-CG 3.46Å; V175-Y264 HydrophobicContact CB-CE2 3.82Å; V175-Y264 HydrophobicContact CG1-CD2 4.46Å; V175-Y264 HydrophobicContact CG1-CE2 3.6Å; V175-Y264 HydrophobicContact CG2-CE2 4.02Å; L240-Y264 HydrophobicContact CB-CE1 4.23Å; N241-Y264 WeakPolarHBondContact O-CD1 3Å; N241-Y264 PolarHBondContact O-N 2.75Å; C242-Y264 HydrophobicContact CB-CD1 4.39Å; C242-Y264 HydrophobicContact CB-CD2 4.39Å; C242-Y264 HydrophobicContact CB-CE1 3.76Å; C242-Y264 HydrophobicContact CB-CE2 3.74Å; C242-Y264 VanDerWaalsContact CB-CZ 3.42Å; C242-Y264 WeakPolarHBondContact CB-OH 3.17Å; Y264-F289 WeakPolarHBondContact CA-O 3.36Å
265G93.1Very high95.1Very high28 Ų2855 Ų5529%0.28930%0.302SS..  trans-156.9170.2176.400000111.8N241 C242 T263N241-G265 PolarHBondContact O-N 3.39Å; C242-G265 CarbonylContact C-O 3.56Å; C242-G265 CarbonylContact O-C 3.54Å; T263-G265 WeakPolarHBondContact CG2-O 3.29Å
266G91.3Very high95Very high38 Ų3860 Ų6039%0.39233%0.332SS..  trans-147.753.9179.500000111.6C242 V243 S268 K269C242-G266 PolarHBondContact O-N 3.49Å; C242-G266 VanDerWaalsContact O-N 3.16Å; V243-G266 CarbonylContact O-C 3.54Å; G266-S268 PolarHBondContact O-N 3.42Å; G266-K269 PolarHBondContact O-N 3.25Å
267M85.2Confident94.9Very high117 Ų11760.9 Ų60.958%0.57634%0.343SS*.THydrogen-bonded Turntrans-58.8-29.8-172.4-69-173.1-6200113.9C242 V243 K269C242-M267 HydrophobicContact CB-CE 4.24Å; C242-M267 WeakPolarHBondContact O-CG 3.36Å; C242-M267 PolarHBondContact O-N 3.35Å; C242-M267 WeakPolarHBondContact SG-CE 3.44Å; V243-M267 HydrophobicContact CG2-CE 3.69Å; V243-M267 PolarHBondContact O-N 2.75Å; M267-K269 VanDerWaalsContact C-N 3.26Å; M267-K269 PolarHBondContact O-N 3.32Å
268S89.3Confident94.8Very high42 Ų4256.6 Ų56.629%0.29432%0.316SS..THydrogen-bonded Turntrans-75-14.5176.467.60000113.7V243 G266 Q270V243-S268 VanDerWaalsContact O-CB 3.27Å; V243-S268 WeakPolarHBondContact O-CB 3.44Å; V243-S268 PolarHBondContact O-N 2.68Å; V243-S268 PolarHBondContact O-OG 3.08Å; G266-S268 PolarHBondContact O-N 3.42Å; S268-Q270 PolarHBondContact O-N 2.97Å; S268-Q270 VanDerWaalsContact O-N 3.07Å; S268-Q270 WeakPolarHBondContact OG-CB 3.38Å; S268-Q270 PolarHBondContact OG-N 3.03Å
269K88.7Confident94.8Very high164 Ų16456 Ų5671%0.71331%0.314SS*.  trans55.615.7-168.3-54.2179.7179.8-179.40113.6G266 M267G266-K269 PolarHBondContact O-N 3.25Å; M267-K269 VanDerWaalsContact C-N 3.26Å; M267-K269 PolarHBondContact O-N 3.32Å
270Q94.7Very high94.7Very high115 Ų11560.4 Ų60.454%0.53734%0.336SS..  trans-92.6155.8176.4-62.8-61.7-52.400111.1S244 S268S244-Q270 VanDerWaalsContact CB-O 3.29Å; S244-Q270 WeakPolarHBondContact CB-O 3.21Å; S268-Q270 PolarHBondContact O-N 2.97Å; S268-Q270 VanDerWaalsContact O-N 3.07Å; S268-Q270 WeakPolarHBondContact OG-CB 3.38Å; S268-Q270 PolarHBondContact OG-N 3.03Å
271P95.1Very high94.7Very high80 Ų8066.1 Ų66.152%0.51936%0.361SS..  trans-57.5159.8174.3-24.635000113.8G245 H273G245-P271 WeakPolarHBondContact CA-O 3.41Å; G245-P271 PolarHBondContact N-O 3.04Å; P271-H273 PolarHBondContact O-CD2 2.84Å; P271-H273 VanDerWaalsContact O-CD2 3.3Å; P271-H273 PolarHBondContact O-N 2.88Å
272L94.5Very high94.6Very high66 Ų6669.3 Ų69.335%0.34638%0.375SS..BIsolated β-bridgetrans-79.8111.7170.5-175.971.4000109.5I248 L261 V274 L286I248-L272 HydrophobicContact CB-CD1 4.44Å; I248-L272 HydrophobicContact CG1-CD1 4.14Å; I248-L272 HydrophobicContact CG2-CD1 3.79Å; L261-L272 HydrophobicContact CD2-CD1 4.22Å; L272-V274 HydrophobicContact CD2-CG2 4.07Å; L272-V274 HydrophobicContact CG-CG2 3.91Å; L272-L286 HydrophobicContact CD2-CD1 4.39Å
273H93.6Very high94.6Very high71 Ų7174.4 Ų74.433%0.32940%0.399SS..  trans-97.6108.6178.5-67.9-89.7000111.2I248 I249 P271I248-H273 WeakPolarHBondContact CG2-O 3.49Å; I249-H273 HydrophobicContact CD1-CB 4.1Å; I249-H273 HydrophobicContact CG1-CB 3.83Å; I249-H273 PolarHBondContact N-O 2.88Å; P271-H273 PolarHBondContact O-CD2 2.84Å; P271-H273 VanDerWaalsContact O-CD2 3.3Å; P271-H273 PolarHBondContact O-N 2.88Å
274V94.4Very high94.6Very high37 Ų3773.1 Ų73.122%0.22439%0.391CS..  trans-112.5131.9179.8-176.80000109.9A252 L272 T276 F279 I284 L286A252-V274 HydrophobicContact CB-CG1 4.38Å; L272-V274 HydrophobicContact CD2-CG2 4.07Å; L272-V274 HydrophobicContact CG-CG2 3.91Å; V274-T276 PolarHBondContact O-N 3.17Å; V274-F279 HydrophobicContact CG1-CB 4.41Å; V274-I284 HydrophobicContact CG1-CD1 3.85Å; V274-L286 HydrophobicContact CB-CD1 4.26Å; V274-L286 HydrophobicContact CG1-CD1 4.22Å; V274-L286 HydrophobicContact CG1-CD2 4.17Å; V274-L286 HydrophobicContact CG2-CD1 3.67Å; V274-L286 HydrophobicContact CG2-CD2 3.87Å; V274-L286 HydrophobicContact CG2-CG 4.42Å
275P94.2Very high94.7Very high32 Ų3274.7 Ų74.721%0.20840%0.399CS..  trans-73.3122.9179.225.8-27.4000110.6I249 A252 G277 A278 F279I249-P275 HydrophobicContact CG2-CB 4.34Å; I249-P275 HydrophobicContact CG2-CG 4.36Å; A252-P275 HydrophobicContact CB-CG 4.31Å; P275-G277 PolarHBondContact O-N 3.26Å; P275-G277 VanDerWaalsContact O-N 3.14Å; P275-A278 HydrophobicContact CG-CB 3.82Å; P275-A278 PolarHBondContact O-N 3.41Å; P275-F279 PolarHBondContact O-N 2.87Å; P275-F279 VanDerWaalsContact O-N 3.13Å
276T96.1Very high94.9Very high103 Ų10376.5 Ų76.563%0.63240%0.402SS*.Hα-helixtrans-50.1-41.4-179-51.90000112.8V274 A278 F279 I280V274-T276 PolarHBondContact O-N 3.17Å; T276-A278 PolarHBondContact O-N 2.78Å; T276-F279 PolarHBondContact O-N 3.47Å; T276-I280 HydrophobicContact CG2-CD1 3.72Å; T276-I280 HydrophobicContact CG2-CG1 4.37Å; T276-I280 WeakPolarHBondContact O-CG1 3.4Å; T276-I280 PolarHBondContact O-N 2.91Å
277G96.4Very high95.3Very high35 Ų3577.6 Ų77.636%0.36140%0.397SS..Hα-helixtrans-63.9-38.6179.200000113.9P275 F279 F281P275-G277 PolarHBondContact O-N 3.26Å; P275-G277 VanDerWaalsContact O-N 3.14Å; G277-F279 VanDerWaalsContact C-N 3.35Å; G277-F281 WeakPolarHBondContact O-CB 3.31Å; G277-F281 WeakPolarHBondContact O-CD2 3.17Å; G277-F281 PolarHBondContact O-N 3.41Å
278A96.2Very high95.9Very high9 Ų975.2 Ų75.27%0.07440%0.403CS..Hα-helixtrans-70-37.717500000110.8P275 T276 K282 E283 I284P275-A278 HydrophobicContact CG-CB 3.82Å; P275-A278 PolarHBondContact O-N 3.41Å; T276-A278 PolarHBondContact O-N 2.78Å; A278-K282 HydrophobicContact CB-CD 4.43Å; A278-K282 CarbonylContact O-C 3.47Å; A278-K282 WeakPolarHBondContact O-CA 3.25Å; A278-K282 VanDerWaalsContact O-CB 3.3Å; A278-K282 WeakPolarHBondContact O-CB 3.26Å; A278-K282 PolarHBondContact O-N 3.14Å; A278-K282 VanDerWaalsContact O-N 3.17Å; A278-E283 PolarHBondContact O-N 2.92Å; A278-I284 HydrophobicContact CB-CD1 3.94Å; A278-I284 HydrophobicContact CB-CG1 4.4Å; A278-I284 PolarHBondContact O-N 2.85Å
279F97.2Very high96.3Very high113 Ų11374.3 Ų74.350%0.49639%0.393SS..Hα-helixtrans-62.7-43.7178.1-169.4-120.5000112.4V274 P275 T276 G277 E283 I284 L286V274-F279 HydrophobicContact CG1-CB 4.41Å; P275-F279 PolarHBondContact O-N 2.87Å; P275-F279 VanDerWaalsContact O-N 3.13Å; T276-F279 PolarHBondContact O-N 3.47Å; G277-F279 VanDerWaalsContact C-N 3.35Å; F279-E283 WeakPolarHBondContact O-CA 3.46Å; F279-I284 HydrophobicContact CD2-CG1 4.32Å; F279-I284 WeakPolarHBondContact CD2-O 3.22Å; F279-L286 HydrophobicContact CE2-CD1 4.41Å; F279-L286 HydrophobicContact CE2-CG 4.41Å
280I97.8Very high96.7Very high96 Ų9670.3 Ų70.349%0.49237%0.374SS..Hα-helixtrans-80.3-59-180-61.3173.5000111.3T276 E283T276-I280 HydrophobicContact CG2-CD1 3.72Å; T276-I280 HydrophobicContact CG2-CG1 4.37Å; T276-I280 WeakPolarHBondContact O-CG1 3.4Å; T276-I280 PolarHBondContact O-N 2.91Å; I280-E283 PolarHBondContact O-N 3.31Å
281F97.8Very high96.7Very high168 Ų16865.4 Ų65.474%0.73735%0.351SS*.Hα-helixtrans-90.4-18.1-163.8-54.1-62.7000114.3G277G277-F281 WeakPolarHBondContact O-CB 3.31Å; G277-F281 WeakPolarHBondContact O-CD2 3.17Å; G277-F281 PolarHBondContact O-N 3.41Å
282K97.6Very high96.7Very high67 Ų6762.4 Ų62.429%0.29133%0.331SS..SBendtrans-101.3-2167.5-65.3-176.5167.7-166.60112.1G253 L255 P257 K258 A278 I284G253-K282 PolarHBondContact O-NZ 2.87Å; L255-K282 WeakPolarHBondContact O-CD 3.41Å; L255-K282 PolarHBondContact O-NZ 3.41Å; P257-K282 CarbonylContact C-O 3.46Å; P257-K282 VanDerWaalsContact CA-O 3.32Å; P257-K282 WeakPolarHBondContact CA-O 3.4Å; K258-K282 PolarHBondContact N-O 3.18Å; A278-K282 HydrophobicContact CB-CD 4.43Å; A278-K282 CarbonylContact O-C 3.47Å; A278-K282 WeakPolarHBondContact O-CA 3.25Å; A278-K282 VanDerWaalsContact O-CB 3.3Å; A278-K282 WeakPolarHBondContact O-CB 3.26Å; A278-K282 PolarHBondContact O-N 3.14Å; A278-K282 VanDerWaalsContact O-N 3.17Å; K282-I284 HydrophobicContact CB-CG2 3.92Å; K282-I284 PolarHBondContact O-N 3Å
283E98.3Very high96.8Very high108 Ų10862.3 Ų62.351%0.50534%0.336SS..  trans50.135.1-179.4-55.5176.285.900112.7K258 A278 F279 I280K258-E283 WeakPolarHBondContact CA-O 3.29Å; K258-E283 WeakPolarHBondContact CE-OE2 3.49Å; K258-E283 HydrophobicContact CG-CB 4.1Å; A278-E283 PolarHBondContact O-N 2.92Å; F279-E283 WeakPolarHBondContact O-CA 3.46Å; I280-E283 PolarHBondContact O-N 3.31Å
284I98.3Very high97Very high3 Ų360 Ų602%0.01533%0.325CS..  trans-63.9147.7179.866.2169000109.7A252 L255 G259 V274 A278 F279 K282 L286A252-I284 HydrophobicContact CB-CD1 3.9Å; L255-I284 HydrophobicContact CB-CG2 3.85Å; L255-I284 HydrophobicContact CD1-CB 4.2Å; L255-I284 HydrophobicContact CD1-CD1 4.33Å; L255-I284 HydrophobicContact CD1-CG2 4.07Å; G259-I284 CarbonylContact O-C 3.5Å; G259-I284 VanDerWaalsContact O-CA 3.29Å; G259-I284 WeakPolarHBondContact O-CA 3.45Å; G259-I284 WeakPolarHBondContact O-CB 3.23Å; V274-I284 HydrophobicContact CG1-CD1 3.85Å; A278-I284 HydrophobicContact CB-CD1 3.94Å; A278-I284 HydrophobicContact CB-CG1 4.4Å; A278-I284 PolarHBondContact O-N 2.85Å; F279-I284 HydrophobicContact CD2-CG1 4.32Å; F279-I284 WeakPolarHBondContact CD2-O 3.22Å; K282-I284 HydrophobicContact CB-CG2 3.92Å; K282-I284 PolarHBondContact O-N 3Å; I284-L286 HydrophobicContact CD1-CD2 4.43Å
285Q98.5Very high97Very high76 Ų7659.9 Ų59.936%0.35532%0.323SS..EExtended strand (participates in β ladder)trans-112.5135.2-176.9-521785.300110.3G259 K260 L261 H287G259-Q285 PolarHBondContact O-N 3.13Å; K260-Q285 CarbonylContact C-O 3.58Å; K260-Q285 WeakPolarHBondContact CA-O 3.1Å; K260-Q285 VanDerWaalsContact CE-OE1 3.26Å; K260-Q285 HydrophobicContact CG-CB 4.24Å; L261-Q285 PolarHBondContact N-O 2.86Å; Q285-H287 VanDerWaalsContact CB-NE2 3.33Å; Q285-H287 WeakPolarHBondContact CB-NE2 3.47Å; Q285-H287 PolarHBondContact OE1-NE2 3.48Å
286L98.2Very high97Very high67 Ų6766 Ų6635%0.35134%0.342SS..EExtended strand (participates in β ladder)trans-105.3129.5179.6-52.9178000109.3L261 L272 V274 F279 I284L261-L286 HydrophobicContact CB-CD2 3.84Å; L261-L286 HydrophobicContact CD1-CD2 4.46Å; L261-L286 HydrophobicContact CD2-CD2 4.46Å; L261-L286 HydrophobicContact CG-CD2 4.48Å; L272-L286 HydrophobicContact CD2-CD1 4.39Å; V274-L286 HydrophobicContact CB-CD1 4.26Å; V274-L286 HydrophobicContact CG1-CD1 4.22Å; V274-L286 HydrophobicContact CG1-CD2 4.17Å; V274-L286 HydrophobicContact CG2-CD1 3.67Å; V274-L286 HydrophobicContact CG2-CD2 3.87Å; V274-L286 HydrophobicContact CG2-CG 4.42Å; F279-L286 HydrophobicContact CE2-CD1 4.41Å; F279-L286 HydrophobicContact CE2-CG 4.41Å; I284-L286 HydrophobicContact CD1-CD2 4.43Å
287H98.4Very high97Very high60 Ų6065 Ų6528%0.27833%0.333SS..EExtended strand (participates in β ladder)trans-131.3142-176.2-65.4-92.6000110.1F157 L261 V262 T263 Q285F157-H287 HydrophobicContact CD1-CB 3.98Å; F157-H287 AromaticContact CD1-CG 3.89Å; F157-H287 HydrophobicContact CE1-CB 3.58Å; F157-H287 AromaticContact CE1-CG 3.85Å; F157-H287 AromaticContact CE1-ND1 3.97Å; F157-H287 HydrophobicContact CZ-CB 4.48Å; L261-H287 PolarHBondContact O-N 2.86Å; V262-H287 CarbonylContact C-O 3.42Å; V262-H287 WeakPolarHBondContact CA-O 3.42Å; V262-H287 HydrophobicContact CG2-CB 4.24Å; T263-H287 PolarHBondContact N-O 3.06Å; Q285-H287 VanDerWaalsContact CB-NE2 3.33Å; Q285-H287 WeakPolarHBondContact CB-NE2 3.47Å; Q285-H287 PolarHBondContact OE1-NE2 3.48Å
288G97.8Very high96.8Very high68 Ų6867.5 Ų67.570%0.70135%0.349SS*.EExtended strand (participates in β ladder)trans-94.3142.3163.500000109.9T263T263-G288 CarbonylContact O-C 3.55Å; T263-G288 WeakPolarHBondContact O-CA 3.1Å
289F98.2Very high96.9Very high22 Ų2270.8 Ų70.810%0.09638%0.377CS..  trans-128128.4171.8-178.3-105.9000111.3T149 R152 M153 F157 V262 T263 Y264 M291 W294T149-F289 HydrophobicContact CG2-CD1 4.21Å; T149-F289 HydrophobicContact CG2-CE1 3.96Å; R152-F289 HydrophobicContact CB-CE1 4.18Å; R152-F289 HydrophobicContact CB-CE2 3.94Å; R152-F289 HydrophobicContact CB-CZ 3.42Å; R152-F289 VanDerWaalsContact CB-CZ 3.42Å; R152-F289 HydrophobicContact CG-CZ 4.1Å; M153-F289 HydrophobicContact CG-CB 4.41Å; M153-F289 HydrophobicContact CG-CD1 3.56Å; M153-F289 HydrophobicContact CG-CE1 4.03Å; M153-F289 HydrophobicContact CG-CG 4Å; M153-F289 HydrophobicContact SD-CD1 4.13Å; F157-F289 HydrophobicContact CE2-CB 4.09Å; F157-F289 AromaticContact CE2-CD2 3.76Å; F157-F289 HydrophobicContact CE2-CD2 3.76Å; F157-F289 HydrophobicContact CE2-CG 4.06Å; F157-F289 HydrophobicContact CZ-CB 3.86Å; F157-F289 AromaticContact CZ-CD2 3.77Å; F157-F289 HydrophobicContact CZ-CD2 3.77Å; F157-F289 HydrophobicContact CZ-CG 4.15Å; V262-F289 HydrophobicContact CG1-CB 3.56Å; T263-F289 PolarHBondContact O-N 3.31Å; Y264-F289 WeakPolarHBondContact CA-O 3.36Å; F289-M291 HydrophobicContact CE1-CB 4.3Å; F289-M291 HydrophobicContact CE1-SD 4.24Å; F289-M291 HydrophobicContact CZ-CE 4.45Å; F289-M291 HydrophobicContact CZ-SD 3.99Å; F289-W294 HydrophobicContact CE2-CB 4.15Å; F289-W294 AromaticContact CE2-CD1 3.89Å; F289-W294 HydrophobicContact CE2-CG 4.17Å; F289-W294 HydrophobicContact CZ-CB 4.39Å; F289-W294 HydrophobicContact CZ-CG 4.48Å
290W96.7Very high96.9Very high81 Ų8166.2 Ų66.231%0.30736%0.357SS..  trans-134.5108.8177-176.530000111Y73 P74 I75 T292 S293 W294Y73-W290 HydrophobicContact CE1-CZ2 4.33Å; Y73-W290 AromaticContact CZ-NE1 3.74Å; Y73-W290 PolarHBondContact OH-NE1 3.47Å; P74-W290 HydrophobicContact CB-CH2 3.99Å; P74-W290 HydrophobicContact CB-CZ2 4.29Å; I75-W290 HydrophobicContact CD1-CH2 3.78Å; I75-W290 HydrophobicContact CD1-CZ2 3.69Å; I75-W290 HydrophobicContact CG1-CH2 4.38Å; I75-W290 HydrophobicContact CG1-CZ2 3.86Å; W290-T292 VanDerWaalsContact C-N 3.25Å; W290-T292 VanDerWaalsContact CE2-CB 3.43Å; W290-T292 HydrophobicContact CH2-CG2 4.4Å; W290-T292 HydrophobicContact CZ2-CG2 3.85Å; W290-T292 PolarHBondContact NE1-OG1 3.16Å; W290-T292 PolarHBondContact O-N 3.46Å; W290-S293 PolarHBondContact O-N 3.21Å; W290-W294 PolarHBondContact O-N 3.05Å
291M96.2Very high96.8Very high12 Ų1264.4 Ų64.46%0.05936%0.357CS..Hα-helixtrans-54.1-39.5-177.5-167.767.1-102.800112.8T149 R152 F289 W294 N295T149-M291 WeakPolarHBondContact OG1-CB 3.29Å; R152-M291 HydrophobicContact CG-CE 4.06Å; R152-M291 HydrophobicContact CG-SD 4.16Å; F289-M291 HydrophobicContact CE1-CB 4.3Å; F289-M291 HydrophobicContact CE1-SD 4.24Å; F289-M291 HydrophobicContact CZ-CE 4.45Å; F289-M291 HydrophobicContact CZ-SD 3.99Å; M291-W294 HydrophobicContact CE-CB 3.99Å; M291-W294 HydrophobicContact CE-CD2 3.72Å; M291-W294 HydrophobicContact CE-CE3 3.17Å; M291-W294 HydrophobicContact CE-CG 4.06Å; M291-W294 HydrophobicContact CE-CZ3 3.86Å; M291-W294 PolarHBondContact O-N 2.86Å; M291-N295 VanDerWaalsContact CE-OD1 3.27Å; M291-N295 WeakPolarHBondContact CE-OD1 3.2Å; M291-N295 WeakPolarHBondContact O-CB 3.5Å; M291-N295 PolarHBondContact O-N 2.93Å; M291-N295 PolarHBondContact O-ND2 3.04Å
292T94.8Very high96.7Very high17 Ų1762.3 Ų62.310%0.10436%0.357CS..Hα-helixtrans-65.3-40.7178.2-53.30000112.5I75 A112 W290 R296I75-T292 HydrophobicContact CD1-CG2 4.05Å; A112-T292 HydrophobicContact CB-CG2 3.43Å; A112-T292 VanDerWaalsContact CB-CG2 3.43Å; W290-T292 VanDerWaalsContact C-N 3.25Å; W290-T292 VanDerWaalsContact CE2-CB 3.43Å; W290-T292 HydrophobicContact CH2-CG2 4.4Å; W290-T292 HydrophobicContact CZ2-CG2 3.85Å; W290-T292 PolarHBondContact NE1-OG1 3.16Å; W290-T292 PolarHBondContact O-N 3.46Å; T292-R296 VanDerWaalsContact O-CG 3.29Å; T292-R296 WeakPolarHBondContact O-CG 3.49Å; T292-R296 PolarHBondContact O-N 3.43Å
293S95.5Very high96.7Very high63 Ų6364.1 Ų64.144%0.44137%0.366SS..Hα-helixtrans-66.7-41.9174.7-172.20000111.1W290 N295 R296 D297W290-S293 PolarHBondContact O-N 3.21Å; S293-N295 VanDerWaalsContact C-N 3.31Å; S293-N295 PolarHBondContact O-N 2.82Å; S293-R296 PolarHBondContact O-N 2.85Å; S293-D297 PolarHBondContact O-N 3.35Å
294W97.6Very high96.7Very high24 Ų2460 Ų609%0.09135%0.345CS..Hα-helixtrans-60.3-42178.1-173.1101.2000111.8R152 D156 F289 W290 M291 R296 D297 N300 K303 R304 M307R152-W294 VanDerWaalsContact CD-CE2 3.47Å; R152-W294 HydrophobicContact CG-CD2 4.34Å; R152-W294 HydrophobicContact CG-CZ2 4.28Å; D156-W294 PolarHBondContact OD2-NE1 2.8Å; F289-W294 HydrophobicContact CE2-CB 4.15Å; F289-W294 AromaticContact CE2-CD1 3.89Å; F289-W294 HydrophobicContact CE2-CG 4.17Å; F289-W294 HydrophobicContact CZ-CB 4.39Å; F289-W294 HydrophobicContact CZ-CG 4.48Å; W290-W294 PolarHBondContact O-N 3.05Å; M291-W294 HydrophobicContact CE-CB 3.99Å; M291-W294 HydrophobicContact CE-CD2 3.72Å; M291-W294 HydrophobicContact CE-CE3 3.17Å; M291-W294 HydrophobicContact CE-CG 4.06Å; M291-W294 HydrophobicContact CE-CZ3 3.86Å; M291-W294 PolarHBondContact O-N 2.86Å; W294-R296 VanDerWaalsContact C-N 3.32Å; W294-R296 PolarHBondContact O-N 2.9Å; W294-D297 PolarHBondContact O-N 3.28Å; W294-N300 HydrophobicContact CD2-CB 4.05Å; W294-N300 HydrophobicContact CE3-CB 4.15Å; W294-N300 HydrophobicContact CH2-CB 3.87Å; W294-N300 HydrophobicContact CZ2-CB 3.7Å; W294-N300 HydrophobicContact CZ3-CB 4.1Å; W294-N300 PolarHBondContact O-ND2 3.46Å; W294-N300 VanDerWaalsContact O-ND2 3.16Å; W294-K303 HydrophobicContact CH2-CB 3.88Å; W294-K303 HydrophobicContact CZ2-CB 3.78Å; W294-K303 HydrophobicContact CZ2-CD 4.4Å; W294-R304 HydrophobicContact CH2-CB 3.86Å; W294-R304 HydrophobicContact CZ3-CB 3.63Å; W294-R304 HydrophobicContact CZ3-CG 3.96Å; W294-M307 HydrophobicContact CZ3-CE 4.3Å
295N95.6Very high96.6Very high34 Ų3464.8 Ų64.818%0.18236%0.363CS..Hα-helixtrans-69.1-26177.7-80.1-25.7000113.7M291 S293 R304M291-N295 VanDerWaalsContact CE-OD1 3.27Å; M291-N295 WeakPolarHBondContact CE-OD1 3.2Å; M291-N295 WeakPolarHBondContact O-CB 3.5Å; M291-N295 PolarHBondContact O-N 2.93Å; M291-N295 PolarHBondContact O-ND2 3.04Å; S293-N295 VanDerWaalsContact C-N 3.31Å; S293-N295 PolarHBondContact O-N 2.82Å; N295-R304 WeakPolarHBondContact OD1-CD 3.45Å; N295-R304 PolarHBondContact OD1-NE 2.92Å
296R93.6Very high96.6Very high160 Ų16067.9 Ų67.960%0.60438%0.375SS*.Hα-helixtrans-78.1-24.9178.7-78.3171.9176.8-178.3-4.7113.1T292 S293 W294 A298T292-R296 VanDerWaalsContact O-CG 3.29Å; T292-R296 WeakPolarHBondContact O-CG 3.49Å; T292-R296 PolarHBondContact O-N 3.43Å; S293-R296 PolarHBondContact O-N 2.85Å; W294-R296 VanDerWaalsContact C-N 3.32Å; W294-R296 PolarHBondContact O-N 2.9Å; R296-A298 PolarHBondContact O-N 3.46Å
297D95.6Very high96.6Very high83 Ų8364.7 Ų64.744%0.44436%0.359SS..  trans-72.8113.2177.6-178.3-2000110.2S293 W294 A299 N300S293-D297 PolarHBondContact O-N 3.35Å; W294-D297 PolarHBondContact O-N 3.28Å; D297-A299 PolarHBondContact O-N 3.47Å; D297-A299 VanDerWaalsContact OD1-CB 3.25Å; D297-A299 WeakPolarHBondContact OD1-CB 3.22Å; D297-A299 PolarHBondContact OD1-N 2.95Å; D297-N300 WeakPolarHBondContact O-CB 3.46Å; D297-N300 PolarHBondContact O-N 2.91Å; D297-N300 PolarHBondContact OD2-ND2 3.38Å
298A93.9Very high96.6Very high86 Ų8662 Ų6271%0.71135%0.346SS*.G310 helixtrans-59.1-27.3179.600000112.7R296 N300 A301R296-A298 PolarHBondContact O-N 3.46Å; A298-N300 PolarHBondContact O-N 3.06Å; A298-N300 VanDerWaalsContact O-N 3.15Å; A298-A301 WeakPolarHBondContact O-CB 3.42Å; A298-A301 PolarHBondContact O-N 3.08Å; A298-A301 VanDerWaalsContact O-N 3.11Å
299A97Very high96.7Very high79 Ų7962.8 Ų62.865%0.65334%0.335SS*.G310 helixtrans-63-20175.500000112.7D297D297-A299 PolarHBondContact O-N 3.47Å; D297-A299 VanDerWaalsContact OD1-CB 3.25Å; D297-A299 WeakPolarHBondContact OD1-CB 3.22Å; D297-A299 PolarHBondContact OD1-N 2.95Å
300N97.3Very high96.7Very high16 Ų1663.8 Ų63.89%0.08634%0.342CS..G310 helixtrans-92.5-0.9178.2-67.3-41000113.9W294 D297 A298 V302 K303 R304W294-N300 HydrophobicContact CD2-CB 4.05Å; W294-N300 HydrophobicContact CE3-CB 4.15Å; W294-N300 HydrophobicContact CH2-CB 3.87Å; W294-N300 HydrophobicContact CZ2-CB 3.7Å; W294-N300 HydrophobicContact CZ3-CB 4.1Å; W294-N300 PolarHBondContact O-ND2 3.46Å; W294-N300 VanDerWaalsContact O-ND2 3.16Å; D297-N300 WeakPolarHBondContact O-CB 3.46Å; D297-N300 PolarHBondContact O-N 2.91Å; D297-N300 PolarHBondContact OD2-ND2 3.38Å; A298-N300 PolarHBondContact O-N 3.06Å; A298-N300 VanDerWaalsContact O-N 3.15Å; N300-V302 VanDerWaalsContact C-N 3.35Å; N300-V302 PolarHBondContact O-N 3.09Å; N300-K303 CarbonylContact O-C 3.58Å; N300-K303 PolarHBondContact O-N 3.26Å; N300-K303 VanDerWaalsContact O-N 3.08Å; N300-R304 WeakPolarHBondContact O-CB 3.46Å; N300-R304 PolarHBondContact O-N 2.95Å
301A95.2Very high96.8Very high59 Ų5960 Ų6049%0.48833%0.328SS..Hα-helixtrans-54.7-46.1-175.900000113.2A298 R304 R305A298-A301 WeakPolarHBondContact O-CB 3.42Å; A298-A301 PolarHBondContact O-N 3.08Å; A298-A301 VanDerWaalsContact O-N 3.11Å; A301-R304 WeakPolarHBondContact O-CB 3.37Å; A301-R304 PolarHBondContact O-N 2.8Å; A301-R305 PolarHBondContact O-N 2.93Å; A301-R305 VanDerWaalsContact O-N 3.09Å
302V96.9Very high96.9Very high123 Ų12360.1 Ų60.175%0.74533%0.329SS*.Hα-helixtrans-66.2-43.5177.2178.50000111.2N300 R304 R305 K306N300-V302 VanDerWaalsContact C-N 3.35Å; N300-V302 PolarHBondContact O-N 3.09Å; V302-R304 VanDerWaalsContact C-N 3.26Å; V302-R304 PolarHBondContact O-N 3.38Å; V302-R305 PolarHBondContact O-N 3.22Å; V302-K306 PolarHBondContact O-N 3.32Å
303K97.6Very high97.1Very high106 Ų10663.4 Ų63.446%0.46134%0.344SS..Hα-helixtrans-63-35.1176.8-67.2-179.2-173.4169.90111.5W294 N300 M307W294-K303 HydrophobicContact CH2-CB 3.88Å; W294-K303 HydrophobicContact CZ2-CB 3.78Å; W294-K303 HydrophobicContact CZ2-CD 4.4Å; N300-K303 CarbonylContact O-C 3.58Å; N300-K303 PolarHBondContact O-N 3.26Å; N300-K303 VanDerWaalsContact O-N 3.08Å; K303-M307 VanDerWaalsContact O-CB 3.29Å; K303-M307 WeakPolarHBondContact O-CB 3.07Å; K303-M307 PolarHBondContact O-N 3.11Å
304R97.4Very high97.2Very high22 Ų2260.8 Ų60.88%0.08333%0.325CS..Hα-helixtrans-66.5-47.5178.9-173.3177.9-177.4-176.63.3110.4S110 I129 W294 N295 N300 A301 V302 M307 L308S110-R304 PolarHBondContact O-NH2 2.81Å; S110-R304 VanDerWaalsContact O-NH2 3.15Å; S110-R304 PolarHBondContact OG-NH1 2.79Å; I129-R304 VanDerWaalsContact CD1-NH2 3.33Å; W294-R304 HydrophobicContact CH2-CB 3.86Å; W294-R304 HydrophobicContact CZ3-CB 3.63Å; W294-R304 HydrophobicContact CZ3-CG 3.96Å; N295-R304 WeakPolarHBondContact OD1-CD 3.45Å; N295-R304 PolarHBondContact OD1-NE 2.92Å; N300-R304 WeakPolarHBondContact O-CB 3.46Å; N300-R304 PolarHBondContact O-N 2.95Å; A301-R304 WeakPolarHBondContact O-CB 3.37Å; A301-R304 PolarHBondContact O-N 2.8Å; V302-R304 VanDerWaalsContact C-N 3.26Å; V302-R304 PolarHBondContact O-N 3.38Å; R304-M307 HydrophobicContact CG-CE 4.27Å; R304-M307 WeakPolarHBondContact O-CB 3.43Å; R304-M307 PolarHBondContact O-N 3.27Å; R304-L308 HydrophobicContact CG-CD1 4.36Å; R304-L308 WeakPolarHBondContact O-CG 3.25Å; R304-L308 PolarHBondContact O-N 2.84Å
305R97.2Very high97.3Very high102 Ų10260.1 Ų60.139%0.38532%0.324SS..Hα-helixtrans-58.2-52.9174.8179.655.863.5-177.26.8111K130 A301 V302 M307 L308 D309K130-R305 PolarHBondContact O-NH1 3.17Å; A301-R305 PolarHBondContact O-N 2.93Å; A301-R305 VanDerWaalsContact O-N 3.09Å; V302-R305 PolarHBondContact O-N 3.22Å; R305-M307 VanDerWaalsContact C-N 3.28Å; R305-M307 PolarHBondContact O-N 3.15Å; R305-L308 PolarHBondContact O-N 3.15Å; R305-L308 VanDerWaalsContact O-N 3.08Å; R305-D309 VanDerWaalsContact O-CG 3.23Å; R305-D309 PolarHBondContact O-N 2.76Å
306K98.2Very high97.4Very high141 Ų14161.2 Ų61.261%0.61333%0.329SS*.Hα-helixtrans-56.3-40.8178.3-175.3174.9-177.9175.80112.7V302 D309 V310V302-K306 PolarHBondContact O-N 3.32Å; K306-D309 PolarHBondContact O-N 2.76Å; K306-V310 VanDerWaalsContact O-CG2 3.31Å; K306-V310 WeakPolarHBondContact O-CG2 3.24Å; K306-V310 PolarHBondContact O-N 3.18Å
307M98.5Very high97.6Very high1 Ų157.7 Ų57.71%0.00532%0.32CS..Hα-helixtrans-59.7-50.9175.4-179-176.163.100111.9S148 Y151 R152 W294 K303 R304 R305 D309 V310 L311S148-M307 VanDerWaalsContact CB-CE 3.49Å; S148-M307 WeakPolarHBondContact OG-CE 2.94Å; Y151-M307 HydrophobicContact CD1-CG 3.81Å; Y151-M307 HydrophobicContact CD1-SD 4.47Å; Y151-M307 HydrophobicContact CE1-CG 4.38Å; Y151-M307 HydrophobicContact CG-CG 4.03Å; R152-M307 HydrophobicContact CG-SD 3.56Å; R152-M307 VanDerWaalsContact CG-SD 3.56Å; R152-M307 PolarHBondContact NE-SD 2.95Å; W294-M307 HydrophobicContact CZ3-CE 4.3Å; K303-M307 VanDerWaalsContact O-CB 3.29Å; K303-M307 WeakPolarHBondContact O-CB 3.07Å; K303-M307 PolarHBondContact O-N 3.11Å; R304-M307 HydrophobicContact CG-CE 4.27Å; R304-M307 WeakPolarHBondContact O-CB 3.43Å; R304-M307 PolarHBondContact O-N 3.27Å; R305-M307 VanDerWaalsContact C-N 3.28Å; R305-M307 PolarHBondContact O-N 3.15Å; M307-D309 VanDerWaalsContact C-N 3.28Å; M307-D309 PolarHBondContact O-N 2.86Å; M307-V310 PolarHBondContact O-N 3.45Å; M307-L311 HydrophobicContact CG-CD1 3.74Å; M307-L311 HydrophobicContact CG-CG 4.38Å; M307-L311 WeakPolarHBondContact O-CB 3.09Å; M307-L311 VanDerWaalsContact O-CG 3.29Å; M307-L311 WeakPolarHBondContact O-CG 3.32Å; M307-L311 PolarHBondContact O-N 3.18Å; M307-L311 HydrophobicContact SD-CD1 4.46Å
308L98.5Very high97.7Very high3 Ų356 Ų562%0.01632%0.321CS..Hα-helixtrans-62.7-38.4-178.5-67.4172.2000111.1I108 I129 L143 R304 R305 T312I108-L308 HydrophobicContact CD1-CD1 4.2Å; I108-L308 HydrophobicContact CD1-CD2 4Å; I129-L308 HydrophobicContact CD1-CD1 4.41Å; I129-L308 HydrophobicContact CG2-CD1 3.7Å; L143-L308 HydrophobicContact CD1-CD2 4.5Å; L143-L308 HydrophobicContact CD2-CD2 3.91Å; L143-L308 HydrophobicContact CG-CD2 3.78Å; R304-L308 HydrophobicContact CG-CD1 4.36Å; R304-L308 WeakPolarHBondContact O-CG 3.25Å; R304-L308 PolarHBondContact O-N 2.84Å; R305-L308 PolarHBondContact O-N 3.15Å; R305-L308 VanDerWaalsContact O-N 3.08Å; L308-T312 VanDerWaalsContact O-CB 3.23Å; L308-T312 WeakPolarHBondContact O-CB 3.31Å; L308-T312 PolarHBondContact O-N 3.19Å; L308-T312 PolarHBondContact O-OG1 3.49Å
309D98.3Very high97.8Very high85 Ų8557 Ų5746%0.45531%0.309SS..Hα-helixtrans-65-45.6177.3-60.4-23.7000111.2R305 K306 M307 T312 Q313R305-D309 VanDerWaalsContact O-CG 3.23Å; R305-D309 PolarHBondContact O-N 2.76Å; K306-D309 PolarHBondContact O-N 2.76Å; M307-D309 VanDerWaalsContact C-N 3.28Å; M307-D309 PolarHBondContact O-N 2.86Å; D309-T312 PolarHBondContact O-N 3.16Å; D309-Q313 WeakPolarHBondContact O-CB 3.18Å; D309-Q313 PolarHBondContact O-N 2.91Å
310V98.6Very high97.9Very high43 Ų4353.4 Ų53.426%0.26128%0.28SS..Hα-helixtrans-62.7-47.5176.5173.40000111.2Y151 K306 M307 T312 Q313 L314Y151-V310 HydrophobicContact CE2-CB 4.14Å; Y151-V310 HydrophobicContact CE2-CG1 3.56Å; K306-V310 VanDerWaalsContact O-CG2 3.31Å; K306-V310 WeakPolarHBondContact O-CG2 3.24Å; K306-V310 PolarHBondContact O-N 3.18Å; M307-V310 PolarHBondContact O-N 3.45Å; V310-T312 VanDerWaalsContact C-N 3.31Å; V310-T312 PolarHBondContact O-N 3.31Å; V310-Q313 PolarHBondContact O-N 3.46Å; V310-L314 HydrophobicContact CG1-CD1 4.07Å; V310-L314 HydrophobicContact CG1-CG 4.37Å; V310-L314 WeakPolarHBondContact O-CG 3.49Å; V310-L314 PolarHBondContact O-N 2.82Å
311L98.8Very high97.9Very high0 Ų057 Ų570%030%0.298CS..Hα-helixtrans-63.3-38.7179.2-70.7171.5000112.1L143 P147 Y151 L182 M307 S315 L320L143-L311 HydrophobicContact CD1-CB 3.66Å; L143-L311 HydrophobicContact CD1-CD1 4.24Å; P147-L311 HydrophobicContact CB-CD1 3.98Å; P147-L311 HydrophobicContact CB-CD2 4.02Å; Y151-L311 HydrophobicContact CD2-CD2 3.86Å; Y151-L311 HydrophobicContact CD2-CG 4.18Å; Y151-L311 HydrophobicContact CG-CD2 4.38Å; L182-L311 HydrophobicContact CD2-CD2 4.3Å; M307-L311 HydrophobicContact CG-CD1 3.74Å; M307-L311 HydrophobicContact CG-CG 4.38Å; M307-L311 WeakPolarHBondContact O-CB 3.09Å; M307-L311 VanDerWaalsContact O-CG 3.29Å; M307-L311 WeakPolarHBondContact O-CG 3.32Å; M307-L311 PolarHBondContact O-N 3.18Å; M307-L311 HydrophobicContact SD-CD1 4.46Å; L311-S315 WeakPolarHBondContact O-CB 3.35Å; L311-S315 PolarHBondContact O-N 2.7Å; L311-S315 PolarHBondContact O-OG 3.34Å; L311-L320 HydrophobicContact CD2-CD2 3.73Å
312T98.6Very high98Very high15 Ų1556.1 Ų56.19%0.09229%0.287CS..Hα-helixtrans-62.2-48.3174.1-60.50000109.9L135 L308 D309 V310 L314 S315 L316L135-T312 HydrophobicContact CD1-CG2 4.05Å; L135-T312 HydrophobicContact CD2-CG2 3.99Å; L135-T312 HydrophobicContact CG-CG2 4.08Å; L308-T312 VanDerWaalsContact O-CB 3.23Å; L308-T312 WeakPolarHBondContact O-CB 3.31Å; L308-T312 PolarHBondContact O-N 3.19Å; L308-T312 PolarHBondContact O-OG1 3.49Å; D309-T312 PolarHBondContact O-N 3.16Å; V310-T312 VanDerWaalsContact C-N 3.31Å; V310-T312 PolarHBondContact O-N 3.31Å; T312-L314 PolarHBondContact O-N 3.06Å; T312-S315 WeakPolarHBondContact O-CB 3.29Å; T312-S315 PolarHBondContact O-N 3Å; T312-L316 HydrophobicContact CG2-CD1 4.02Å; T312-L316 HydrophobicContact CG2-CG 4.38Å; T312-L316 WeakPolarHBondContact O-CG 3.29Å; T312-L316 PolarHBondContact O-N 2.76Å
313Q98.6Very high97.8Very high87 Ų8750.7 Ų50.741%0.40726%0.255SS..Hα-helixtrans-62.9-45.1-178.8-17259.526.400112.1D309 V310 S315 L316 E317D309-Q313 WeakPolarHBondContact O-CB 3.18Å; D309-Q313 PolarHBondContact O-N 2.91Å; V310-Q313 PolarHBondContact O-N 3.46Å; Q313-S315 VanDerWaalsContact C-N 3.25Å; Q313-S315 PolarHBondContact O-N 2.78Å; Q313-L316 PolarHBondContact O-N 2.97Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.34Å; Q313-E317 PolarHBondContact NE2-OE1 3.45Å; Q313-E317 WeakPolarHBondContact O-CB 3.17Å; Q313-E317 WeakPolarHBondContact O-CG 3.22Å; Q313-E317 PolarHBondContact O-N 2.86Å
314L98.7Very high97.6Very high8 Ų849.7 Ų49.74%0.04225%0.25CS..Hα-helixtrans-61.4-35.6175.7-66.2176.8000112.6L182 H185 V310 T312 G318 K319 L320L182-L314 HydrophobicContact CD2-CD1 3.84Å; H185-L314 VanDerWaalsContact CE1-CD2 3.48Å; H185-L314 WeakPolarHBondContact CE1-CD2 3.33Å; H185-L314 WeakPolarHBondContact NE2-CD2 3.41Å; V310-L314 HydrophobicContact CG1-CD1 4.07Å; V310-L314 HydrophobicContact CG1-CG 4.37Å; V310-L314 WeakPolarHBondContact O-CG 3.49Å; V310-L314 PolarHBondContact O-N 2.82Å; T312-L314 PolarHBondContact O-N 3.06Å; L314-G318 PolarHBondContact O-N 3.02Å; L314-K319 HydrophobicContact CB-CB 4.43Å; L314-K319 HydrophobicContact CD2-CB 4.13Å; L314-K319 HydrophobicContact CD2-CD 4.05Å; L314-K319 PolarHBondContact O-N 2.84Å; L314-L320 HydrophobicContact CB-CB 3.87Å; L314-L320 PolarHBondContact O-N 2.7Å; L314-L320 VanDerWaalsContact O-N 3.07Å
315S98.5Very high97.5Very high10 Ų1053.1 Ų53.17%0.0726%0.264CS..Hα-helixtrans-67.4-42.4176.3-63.10000111.9Q139 L311 T312 Q313 E317 G318Q139-S315 PolarHBondContact NE2-O 3.47Å; Q139-S315 VanDerWaalsContact NE2-O 3.14Å; L311-S315 WeakPolarHBondContact O-CB 3.35Å; L311-S315 PolarHBondContact O-N 2.7Å; L311-S315 PolarHBondContact O-OG 3.34Å; T312-S315 WeakPolarHBondContact O-CB 3.29Å; T312-S315 PolarHBondContact O-N 3Å; Q313-S315 VanDerWaalsContact C-N 3.25Å; Q313-S315 PolarHBondContact O-N 2.78Å; S315-E317 VanDerWaalsContact C-N 3.33Å; S315-G318 PolarHBondContact O-N 2.86Å
316L98.3Very high97.4Very high56 Ų5652.2 Ų52.229%0.29326%0.264SS..Hα-helixtrans-69.4-30.7177.7-67176.8000112.7R134 L135 T312 Q313 G318R134-L316 HydrophobicContact CB-CD2 3.74Å; R134-L316 WeakPolarHBondContact O-CD2 3.35Å; L135-L316 HydrophobicContact CD2-CD2 3.98Å; L135-L316 HydrophobicContact CD2-CG 4.11Å; T312-L316 HydrophobicContact CG2-CD1 4.02Å; T312-L316 HydrophobicContact CG2-CG 4.38Å; T312-L316 WeakPolarHBondContact O-CG 3.29Å; T312-L316 PolarHBondContact O-N 2.76Å; Q313-L316 PolarHBondContact O-N 2.97Å; L316-G318 PolarHBondContact O-N 3.39Å
317E98Very high97.3Very high87 Ų8748.3 Ų48.341%0.40725%0.25SC..THydrogen-bonded Turntrans-80.9-0.9175.2-69.4175.2-172.400113.5Q313 S315 K319Q313-E317 WeakPolarHBondContact CG-OE1 3.34Å; Q313-E317 PolarHBondContact NE2-OE1 3.45Å; Q313-E317 WeakPolarHBondContact O-CB 3.17Å; Q313-E317 WeakPolarHBondContact O-CG 3.22Å; Q313-E317 PolarHBondContact O-N 2.86Å; S315-E317 VanDerWaalsContact C-N 3.33Å; E317-K319 HydrophobicContact CB-CD 4.21Å; E317-K319 HydrophobicContact CB-CG 4.13Å; E317-K319 PolarHBondContact O-N 3.37Å; E317-K319 WeakPolarHBondContact OE2-CD 3.2Å; E317-K319 VanDerWaalsContact OE2-CE 3.25Å; E317-K319 WeakPolarHBondContact OE2-CE 3.42Å; E317-K319 IonicContact OE2-NZ 2.74Å; E317-K319 PolarHBondContact OE2-NZ 3.03Å
318G96.9Very high97.2Very high46 Ų4648.5 Ų48.547%0.47425%0.251SS..THydrogen-bonded Turntrans6912.6-176.300000114.4L314 S315 L316L314-G318 PolarHBondContact O-N 3.02Å; S315-G318 PolarHBondContact O-N 2.86Å; L316-G318 PolarHBondContact O-N 3.39Å
319K97.7Very high97.1Very high107 Ų10749.5 Ų49.547%0.46526%0.258SS..SBendtrans-85.1-18.5178.3-66.4177.9-176160.40113.1L314 E317L314-K319 HydrophobicContact CB-CB 4.43Å; L314-K319 HydrophobicContact CD2-CB 4.13Å; L314-K319 HydrophobicContact CD2-CD 4.05Å; L314-K319 PolarHBondContact O-N 2.84Å; E317-K319 HydrophobicContact CB-CD 4.21Å; E317-K319 HydrophobicContact CB-CG 4.13Å; E317-K319 PolarHBondContact O-N 3.37Å; E317-K319 WeakPolarHBondContact OE2-CD 3.2Å; E317-K319 VanDerWaalsContact OE2-CE 3.25Å; E317-K319 WeakPolarHBondContact OE2-CE 3.42Å; E317-K319 IonicContact OE2-NZ 2.74Å; E317-K319 PolarHBondContact OE2-NZ 3.03Å
320L98.4Very high97Very high5 Ų545.9 Ų45.93%0.02624%0.238CC..SBendtrans-123.499.8172.7-167.568.7000109.4P147 L178 Q181 L182 L311 L314P147-L320 HydrophobicContact CB-CD2 4.39Å; L178-L320 HydrophobicContact CD2-CD1 3.78Å; L178-L320 HydrophobicContact CD2-CD2 4.46Å; L178-L320 HydrophobicContact CD2-CG 4.14Å; Q181-L320 HydrophobicContact CB-CD1 3.93Å; L182-L320 HydrophobicContact CD2-CD1 4.14Å; L182-L320 HydrophobicContact CG-CD1 4.14Å; L311-L320 HydrophobicContact CD2-CD2 3.73Å; L314-L320 HydrophobicContact CB-CB 3.87Å; L314-L320 PolarHBondContact O-N 2.7Å; L314-L320 VanDerWaalsContact O-N 3.07Å
321L97.4Very high96.8Very high91 Ų9151.2 Ų51.248%0.47626%0.258SS..PPolyproline II helixtrans-83.8146.6-179.7-57.7176.5000110.5Q181 V323Q181-L321 PolarHBondContact NE2-O 2.98Å; Q181-L321 VanDerWaalsContact NE2-O 3.17Å; Q181-L321 PolarHBondContact OE1-O 3.48Å; L321-V323 PolarHBondContact O-N 2.75Å
322P96.4Very high96.6Very high40 Ų4055.6 Ų55.626%0.2628%0.278SS..PPolyproline II helixtrans-53136.9166.9-25.935.5000111.7V138 Q139 Y325V138-P322 HydrophobicContact CG1-CB 3.79Å; V138-P322 HydrophobicContact CG1-CG 4.15Å; Q139-P322 HydrophobicContact CG-CG 3.91Å; P322-Y325 HydrophobicContact CB-CD1 3.82Å; P322-Y325 HydrophobicContact CB-CE1 3.72Å; P322-Y325 HydrophobicContact CG-CE1 4.38Å
323V94Very high96.5Very high10 Ų1055.6 Ų55.66%0.06128%0.276CS..PPolyproline II helixtrans-61.5158.8168.5-57.60000110.2A174 Q177 L178 L321 Y325 K347A174-V323 HydrophobicContact CB-CB 4.43Å; A174-V323 HydrophobicContact CB-CG1 4.27Å; A174-V323 HydrophobicContact CB-CG2 3.96Å; A174-V323 WeakPolarHBondContact O-CG1 3.05Å; Q177-V323 HydrophobicContact CB-CG1 3.87Å; L178-V323 HydrophobicContact CD1-CG1 3.96Å; L178-V323 HydrophobicContact CD2-CG1 4.08Å; L178-V323 HydrophobicContact CG-CG1 3.66Å; L321-V323 PolarHBondContact O-N 2.75Å; V323-Y325 VanDerWaalsContact O-CD1 3.23Å; V323-Y325 WeakPolarHBondContact O-CD1 3.36Å; V323-Y325 PolarHBondContact O-N 2.88Å; V323-K347 HydrophobicContact CG2-CB 4.08Å
324K92.7Very high96.3Very high84 Ų8455.6 Ų55.637%0.36528%0.276SS..SBendtrans-50118.1174.1-75.6179.1-179.3171.20110.8Y207 R346 K347Y207-K324 HydrophobicContact CD1-CD 4.28Å; Y207-K324 VanDerWaalsContact CD2-CE 3.48Å; Y207-K324 HydrophobicContact CE1-CD 3.92Å; Y207-K324 HydrophobicContact CE1-CG 4.1Å; Y207-K324 HydrophobicContact CE2-CD 4.35Å; Y207-K324 VanDerWaalsContact CE2-CE 3.47Å; Y207-K324 HydrophobicContact CE2-CG 4.22Å; Y207-K324 VanDerWaalsContact CG-NZ 3.33Å; K324-R346 HydrophobicContact CB-CB 4.49Å; K324-R346 HydrophobicContact CB-CG 4.1Å; K324-R346 CarbonylContact O-C 3.44Å; K324-R346 WeakPolarHBondContact O-CA 3.29Å; K324-R346 WeakPolarHBondContact O-CB 3.38Å; K324-K347 PolarHBondContact O-N 2.9Å
325Y94.7Very high96Very high94 Ų9461.2 Ų61.237%0.36930%0.302SS..EExtended strand (participates in β ladder)trans-127.2163.9-176.865.5-93.5000112.2V138 P322 V323 L327 R346 K347 I349V138-Y325 HydrophobicContact CB-CE1 4.48Å; V138-Y325 HydrophobicContact CG1-CD1 3.73Å; V138-Y325 HydrophobicContact CG1-CD2 4.42Å; V138-Y325 HydrophobicContact CG1-CE1 3.88Å; V138-Y325 HydrophobicContact CG1-CG 4.04Å; V138-Y325 HydrophobicContact CG2-CD2 4.06Å; V138-Y325 HydrophobicContact CG2-CE1 4.27Å; V138-Y325 HydrophobicContact CG2-CE2 3.7Å; V138-Y325 HydrophobicContact CG2-CG 4.49Å; P322-Y325 HydrophobicContact CB-CD1 3.82Å; P322-Y325 HydrophobicContact CB-CE1 3.72Å; P322-Y325 HydrophobicContact CG-CE1 4.38Å; V323-Y325 VanDerWaalsContact O-CD1 3.23Å; V323-Y325 WeakPolarHBondContact O-CD1 3.36Å; V323-Y325 PolarHBondContact O-N 2.88Å; Y325-L327 HydrophobicContact CD2-CD2 4Å; Y325-L327 HydrophobicContact CD2-CG 4.11Å; Y325-L327 HydrophobicContact CE2-CD1 4.49Å; Y325-L327 HydrophobicContact CE2-CD2 4.09Å; Y325-L327 HydrophobicContact CE2-CG 3.96Å; Y325-R346 WeakPolarHBondContact O-CD 3.41Å; Y325-K347 CarbonylContact C-O 3.59Å; Y325-K347 VanDerWaalsContact CA-O 3.22Å; Y325-K347 WeakPolarHBondContact CA-O 3.35Å; Y325-I349 HydrophobicContact CD2-CD1 4.45Å; Y325-I349 HydrophobicContact CG-CD1 4.29Å
326Q95.2Very high95.9Very high83 Ų8360.8 Ų60.839%0.38830%0.299SS..EExtended strand (participates in β ladder)trans-131.5122167.1180-178.8-2.500107.6V328 R346 K347 K348 I349Q326-V328 HydrophobicContact CG-CG2 4.04Å; Q326-R346 HydrophobicContact CB-CB 4.34Å; Q326-K347 PolarHBondContact N-O 2.9Å; Q326-K348 HydrophobicContact CB-CD 4.14Å; Q326-I349 PolarHBondContact O-N 2.93Å
327L96.5Very high95.8Very high60 Ų6058.1 Ų58.131%0.31429%0.285SS..EExtended strand (participates in β ladder)trans-75134.6167.2-58.2-176.6000108.2V138 Y325 I349 V351 W354V138-L327 HydrophobicContact CG2-CD2 3.84Å; Y325-L327 HydrophobicContact CD2-CD2 4Å; Y325-L327 HydrophobicContact CD2-CG 4.11Å; Y325-L327 HydrophobicContact CE2-CD1 4.49Å; Y325-L327 HydrophobicContact CE2-CD2 4.09Å; Y325-L327 HydrophobicContact CE2-CG 3.96Å; L327-I349 WeakPolarHBondContact CA-O 3.4Å; L327-I349 HydrophobicContact CD2-CB 3.96Å; L327-I349 HydrophobicContact CD2-CD1 4.43Å; L327-I349 HydrophobicContact CD2-CG2 4.17Å; L327-V351 HydrophobicContact CB-CG2 4.33Å; L327-V351 HydrophobicContact CD2-CG1 3.99Å; L327-W354 HydrophobicContact CB-CZ3 4.27Å
328V95.7Very high95.6Very high5 Ų559.9 Ų59.93%0.0329%0.294CS..EExtended strand (participates in β ladder)trans-128.9128.3178.3-175.30000107.7Q326 F330 E332 A336 I349 L350 V351Q326-V328 HydrophobicContact CG-CG2 4.04Å; V328-F330 PolarHBondContact O-N 2.82Å; V328-E332 HydrophobicContact CG1-CB 3.8Å; V328-A336 HydrophobicContact CB-CB 4.17Å; V328-A336 HydrophobicContact CG1-CB 4.03Å; V328-A336 HydrophobicContact CG2-CB 4.06Å; V328-I349 PolarHBondContact N-O 2.81Å; V328-L350 HydrophobicContact CB-CD2 4.37Å; V328-L350 CarbonylContact O-C 3.56Å; V328-L350 VanDerWaalsContact O-CA 3.3Å; V328-L350 WeakPolarHBondContact O-CA 3.36Å; V328-V351 VanDerWaalsContact O-CG2 3.32Å; V328-V351 WeakPolarHBondContact O-CG2 3.43Å; V328-V351 PolarHBondContact O-N 3Å
329P96.6Very high95.3Very high24 Ų2459 Ų5916%0.15628%0.282CS..EExtended strand (participates in β ladder)trans-53136.8172.2-23.432.2000110.4K331 E332 W354P329-K331 PolarHBondContact O-N 2.93Å; P329-E332 HydrophobicContact CB-CG 4.3Å; P329-E332 HydrophobicContact CG-CG 4.41Å; P329-E332 PolarHBondContact O-N 3.14Å; P329-W354 HydrophobicContact CB-CD2 4.5Å; P329-W354 HydrophobicContact CB-CE3 4.11Å; P329-W354 HydrophobicContact CB-CZ3 4.49Å; P329-W354 HydrophobicContact CG-CD2 3.98Å; P329-W354 HydrophobicContact CG-CE3 3.65Å; P329-W354 HydrophobicContact CG-CH2 4.04Å; P329-W354 HydrophobicContact CG-CZ2 4.32Å; P329-W354 HydrophobicContact CG-CZ3 3.68Å
330F96.2Very high95.1Very high9 Ų954.9 Ų54.94%0.03927%0.266CS..G310 helixtrans-51.1-34.7180171.9-113.6000113.4Q23 L25 L39 T119 V328 E332 Y333 L350 V351 F352Q23-F330 HydrophobicContact CB-CE1 4.02Å; L25-F330 HydrophobicContact CD1-CD2 4.43Å; L25-F330 HydrophobicContact CD1-CE2 3.8Å; L25-F330 HydrophobicContact CD2-CE2 3.95Å; L25-F330 HydrophobicContact CD2-CZ 3.86Å; L25-F330 HydrophobicContact CG-CE2 3.53Å; L25-F330 HydrophobicContact CG-CZ 3.83Å; L39-F330 HydrophobicContact CD1-CE1 3.58Å; L39-F330 HydrophobicContact CD1-CZ 3.69Å; T119-F330 HydrophobicContact CG2-CD1 4.29Å; T119-F330 HydrophobicContact CG2-CE1 4.16Å; V328-F330 PolarHBondContact O-N 2.82Å; F330-E332 PolarHBondContact O-N 3.16Å; F330-Y333 WeakPolarHBondContact O-CB 3.49Å; F330-Y333 PolarHBondContact O-N 2.95Å; F330-L350 HydrophobicContact CD2-CD1 4.27Å; F330-V351 WeakPolarHBondContact CB-O 3.47Å; F330-V351 PolarHBondContact N-O 3.17Å; F330-F352 HydrophobicContact CB-CD1 3.84Å; F330-F352 HydrophobicContact CB-CE1 4.11Å; F330-F352 HydrophobicContact CB-CG 4.2Å; F330-F352 HydrophobicContact CD1-CD1 4Å; F330-F352 HydrophobicContact CD1-CE1 4.11Å; F330-F352 AromaticContact CD2-CD1 3.67Å; F330-F352 HydrophobicContact CD2-CD1 3.67Å; F330-F352 AromaticContact CD2-CE1 3.07Å; F330-F352 HydrophobicContact CD2-CE1 3.07Å; F330-F352 HydrophobicContact CD2-CE2 4.46Å; F330-F352 AromaticContact CD2-CZ 3.54Å; F330-F352 HydrophobicContact CD2-CZ 3.54Å; F330-F352 HydrophobicContact CE1-CD1 4.48Å; F330-F352 HydrophobicContact CE1-CE1 4.31Å; F330-F352 HydrophobicContact CE2-CD1 4.16Å; F330-F352 AromaticContact CE2-CE1 3.31Å; F330-F352 HydrophobicContact CE2-CE1 3.31Å; F330-F352 AromaticContact CE2-CZ 3.9Å; F330-F352 HydrophobicContact CE2-CZ 3.9Å; F330-F352 AromaticContact CG-CD1 3.56Å; F330-F352 HydrophobicContact CG-CD1 3.56Å; F330-F352 AromaticContact CG-CE1 3.5Å; F330-F352 HydrophobicContact CG-CE1 3.5Å; F330-F352 VanDerWaalsContact CG-CE1 3.5Å; F330-F352 HydrophobicContact CG-CG 4.39Å; F330-F352 HydrophobicContact CG-CZ 4.25Å; F330-F352 AromaticContact CZ-CE1 3.95Å; F330-F352 HydrophobicContact CZ-CE1 3.95Å
331K94.7Very high94.6Very high155 Ų15556.6 Ų56.667%0.67428%0.281SS*.G310 helixtrans-70.9-15178.7-65.8-174.2177.8179.10114.2P329P329-K331 PolarHBondContact O-N 2.93Å
332E95.2Very high94.1Very high91 Ų9155 Ų5543%0.42528%0.281SS..G310 helixtrans-101.124.2177.4-63.7178.1-160.800111.9V328 P329 F330 Q334 Q335V328-E332 HydrophobicContact CG1-CB 3.8Å; P329-E332 HydrophobicContact CB-CG 4.3Å; P329-E332 HydrophobicContact CG-CG 4.41Å; P329-E332 PolarHBondContact O-N 3.14Å; F330-E332 PolarHBondContact O-N 3.16Å; E332-Q334 PolarHBondContact O-N 2.98Å; E332-Q334 VanDerWaalsContact O-N 3.11Å; E332-Q335 PolarHBondContact O-N 3.27Å
333Y95.6Very high93.2Very high15 Ų1556.4 Ų56.46%0.05930%0.303CS..Hα-helixtrans-55.9-31.3-17469.8-89000114.2L25 V37 L39 F330 Q335 A336 I337L25-Y333 VanDerWaalsContact CD1-CB 3.45Å; L25-Y333 HydrophobicContact CD1-CD1 4.14Å; L25-Y333 HydrophobicContact CD1-CD2 3.68Å; L25-Y333 HydrophobicContact CD1-CE2 4.45Å; L25-Y333 HydrophobicContact CD1-CG 3.49Å; L25-Y333 VanDerWaalsContact CD1-CG 3.49Å; L25-Y333 HydrophobicContact CD2-CD1 3.52Å; L25-Y333 HydrophobicContact CD2-CD2 3.94Å; L25-Y333 HydrophobicContact CD2-CE1 3.59Å; L25-Y333 HydrophobicContact CD2-CE2 4.01Å; L25-Y333 HydrophobicContact CD2-CG 3.7Å; L25-Y333 HydrophobicContact CG-CD2 4.42Å; L25-Y333 HydrophobicContact CG-CG 4.26Å; V37-Y333 HydrophobicContact CG1-CD2 4.35Å; V37-Y333 HydrophobicContact CG1-CE2 3.97Å; L39-Y333 HydrophobicContact CB-CE1 4.16Å; L39-Y333 PolarHBondContact N-OH 3.45Å; F330-Y333 WeakPolarHBondContact O-CB 3.49Å; F330-Y333 PolarHBondContact O-N 2.95Å; Y333-Q335 VanDerWaalsContact C-N 3.34Å; Y333-Q335 PolarHBondContact O-N 2.84Å; Y333-A336 WeakPolarHBondContact O-CB 3.37Å; Y333-A336 PolarHBondContact O-N 2.68Å; Y333-A336 VanDerWaalsContact O-N 3.13Å; Y333-I337 HydrophobicContact CD2-CD1 3.75Å; Y333-I337 HydrophobicContact CE2-CD1 4.42Å; Y333-I337 WeakPolarHBondContact O-CG1 3.37Å; Y333-I337 PolarHBondContact O-N 2.81Å
334Q95.3Very high91.9Very high87 Ų8761.6 Ų61.641%0.40733%0.326SS..Hα-helixtrans-58.2-47.1-177.1-65.391.1-24.100111.2E332 A336 I337 E338E332-Q334 PolarHBondContact O-N 2.98Å; E332-Q334 VanDerWaalsContact O-N 3.11Å; Q334-A336 VanDerWaalsContact C-N 3.29Å; Q334-A336 PolarHBondContact O-N 3.09Å; Q334-I337 PolarHBondContact O-N 2.87Å; Q334-E338 WeakPolarHBondContact O-CB 3.4Å; Q334-E338 PolarHBondContact O-N 2.87Å
335Q93.1Very high90.9Very high126 Ų12661.5 Ų61.559%0.58935%0.349SS*.Hα-helixtrans-64.3-37.1178.9-62.1-178.917.400111.5E332 Y333 A339E332-Q335 PolarHBondContact O-N 3.27Å; Y333-Q335 VanDerWaalsContact C-N 3.34Å; Y333-Q335 PolarHBondContact O-N 2.84Å; Q335-A339 VanDerWaalsContact O-CB 3.24Å; Q335-A339 WeakPolarHBondContact O-CB 3.44Å; Q335-A339 PolarHBondContact O-N 3.26Å
336A94.9Very high90.6Very high1 Ų164.1 Ų64.11%0.00836%0.358CS..Hα-helixtrans-66.2-44.9178.700000111.4I61 V328 Y333 Q334 T340 K348 L350I61-A336 HydrophobicContact CD1-CB 3.53Å; V328-A336 HydrophobicContact CB-CB 4.17Å; V328-A336 HydrophobicContact CG1-CB 4.03Å; V328-A336 HydrophobicContact CG2-CB 4.06Å; Y333-A336 WeakPolarHBondContact O-CB 3.37Å; Y333-A336 PolarHBondContact O-N 2.68Å; Y333-A336 VanDerWaalsContact O-N 3.13Å; Q334-A336 VanDerWaalsContact C-N 3.29Å; Q334-A336 PolarHBondContact O-N 3.09Å; A336-T340 WeakPolarHBondContact O-CB 3.37Å; A336-T340 PolarHBondContact O-N 3.08Å; A336-T340 VanDerWaalsContact O-N 3.12Å; A336-T340 PolarHBondContact O-OG1 3.07Å; A336-K348 HydrophobicContact CB-CB 4.18Å; A336-K348 HydrophobicContact CB-CG 4.45Å; A336-L350 HydrophobicContact CB-CD2 3.98Å
337I95.9Very high90.4Very high0 Ų061.2 Ų61.20%034%0.344CS..Hα-helixtrans-63.3-50.1176.5-70-179.9000110.2P33 P34 V37 I61 I66 W117 Y333 Q334 A339 T340 A341P33-I337 HydrophobicContact CB-CG2 3.49Å; P33-I337 VanDerWaalsContact CB-CG2 3.49Å; P34-I337 HydrophobicContact CG-CG2 3.99Å; V37-I337 HydrophobicContact CB-CD1 4.18Å; V37-I337 HydrophobicContact CG1-CD1 3.98Å; V37-I337 HydrophobicContact CG2-CD1 4.27Å; I61-I337 HydrophobicContact CD1-CG1 3.79Å; I66-I337 HydrophobicContact CD1-CG2 4Å; W117-I337 HydrophobicContact CE3-CD1 4.43Å; W117-I337 HydrophobicContact CH2-CD1 4.33Å; W117-I337 HydrophobicContact CH2-CG1 4.3Å; W117-I337 HydrophobicContact CZ3-CD1 3.76Å; W117-I337 HydrophobicContact CZ3-CG1 4.22Å; Y333-I337 HydrophobicContact CD2-CD1 3.75Å; Y333-I337 HydrophobicContact CE2-CD1 4.42Å; Y333-I337 WeakPolarHBondContact O-CG1 3.37Å; Y333-I337 PolarHBondContact O-N 2.81Å; Q334-I337 PolarHBondContact O-N 2.87Å; I337-A339 PolarHBondContact O-N 2.9Å; I337-T340 PolarHBondContact O-N 3.08Å; I337-A341 WeakPolarHBondContact O-CB 3.4Å; I337-A341 PolarHBondContact O-N 2.61Å
338E94.3Very high90.4Very high124 Ų12459.2 Ų59.258%0.57933%0.333SS*.Hα-helixtrans-59-48.6-179.2-175.1177-176.600111.7P34 Q334 T340 A341 A342P34-E338 HydrophobicContact CG-CB 4.33Å; Q334-E338 WeakPolarHBondContact O-CB 3.4Å; Q334-E338 PolarHBondContact O-N 2.87Å; E338-T340 VanDerWaalsContact C-N 3.3Å; E338-T340 PolarHBondContact O-N 3.11Å; E338-A341 PolarHBondContact O-N 3.04Å; E338-A342 WeakPolarHBondContact O-CB 3.44Å; E338-A342 PolarHBondContact O-N 2.87Å
339A92.1Very high90.4Very high27 Ų2759 Ų5922%0.22333%0.331CS..Hα-helixtrans-61.6-37.717800000112.8Q335 I337 G343 H344 K348Q335-A339 VanDerWaalsContact O-CB 3.24Å; Q335-A339 WeakPolarHBondContact O-CB 3.44Å; Q335-A339 PolarHBondContact O-N 3.26Å; I337-A339 PolarHBondContact O-N 2.9Å; A339-G343 PolarHBondContact O-N 3.11Å; A339-H344 PolarHBondContact O-N 3.15Å; A339-K348 VanDerWaalsContact CB-CE 3.5Å
340T92.4Very high90.5Very high21 Ų2157.9 Ų57.913%0.12932%0.324CS..Hα-helixtrans-69.9-44.8177.2-53.40000110.8I61 I66 A336 I337 E338 A342 G343 K348I61-T340 HydrophobicContact CB-CG2 4.44Å; I61-T340 HydrophobicContact CG2-CG2 3.76Å; I66-T340 HydrophobicContact CD1-CG2 4.44Å; I66-T340 HydrophobicContact CG1-CG2 3.9Å; A336-T340 WeakPolarHBondContact O-CB 3.37Å; A336-T340 PolarHBondContact O-N 3.08Å; A336-T340 VanDerWaalsContact O-N 3.12Å; A336-T340 PolarHBondContact O-OG1 3.07Å; I337-T340 PolarHBondContact O-N 3.08Å; E338-T340 VanDerWaalsContact C-N 3.3Å; E338-T340 PolarHBondContact O-N 3.11Å; T340-A342 VanDerWaalsContact C-N 3.28Å; T340-A342 PolarHBondContact O-N 2.98Å; T340-G343 PolarHBondContact O-N 2.65Å; T340-K348 VanDerWaalsContact OG1-CG 3.32Å; T340-K348 WeakPolarHBondContact OG1-CG 3.2Å
341A89.1Confident90.5Very high42 Ų4258.1 Ų58.135%0.34733%0.326SS..Hα-helixtrans-61.8-36.217800000112.1I66 I337 E338 G343I66-A341 HydrophobicContact CD1-CB 4.46Å; I66-A341 HydrophobicContact CG2-CB 4.11Å; I337-A341 WeakPolarHBondContact O-CB 3.4Å; I337-A341 PolarHBondContact O-N 2.61Å; E338-A341 PolarHBondContact O-N 3.04Å; A341-G343 PolarHBondContact O-N 2.82Å
342A86.3Confident90.5Very high58 Ų5852.3 Ų52.348%0.47930%0.301SS..THydrogen-bonded Turntrans-71.8-6.9174.800000113.8E338 T340 H344E338-A342 WeakPolarHBondContact O-CB 3.44Å; E338-A342 PolarHBondContact O-N 2.87Å; T340-A342 VanDerWaalsContact C-N 3.28Å; T340-A342 PolarHBondContact O-N 2.98Å; A342-H344 VanDerWaalsContact C-N 3.32Å; A342-H344 VanDerWaalsContact CB-ND1 3.28Å; A342-H344 WeakPolarHBondContact CB-ND1 3.47Å; A342-H344 PolarHBondContact O-CE1 2.75Å; A342-H344 PolarHBondContact O-N 3.22Å; A342-H344 PolarHBondContact O-ND1 3.19Å
343G77.2Confident89.8Confident69 Ų6952.4 Ų52.471%0.71130%0.302SS*.THydrogen-bonded Turntrans70.823.6178.200000114.3A339 T340 A341A339-G343 PolarHBondContact O-N 3.11Å; T340-G343 PolarHBondContact O-N 2.65Å; A341-G343 PolarHBondContact O-N 2.82Å
344H66.4Low88Confident119 Ų11958.3 Ų58.355%0.55132%0.324SS*.  trans-97.9129.2-176.4-70.191.4000112.6A339 A342A339-H344 PolarHBondContact O-N 3.15Å; A342-H344 VanDerWaalsContact C-N 3.32Å; A342-H344 VanDerWaalsContact CB-ND1 3.28Å; A342-H344 WeakPolarHBondContact CB-ND1 3.47Å; A342-H344 PolarHBondContact O-CE1 2.75Å; A342-H344 PolarHBondContact O-N 3.22Å; A342-H344 PolarHBondContact O-ND1 3.19Å
345G71.4Confident85.6Confident82 Ų8260.6 Ų60.685%0.84535%0.348SS*.SBendtrans73.9-143.5150.500000117
346R87.8Confident82.9Confident149 Ų14960.2 Ų60.256%0.56238%0.378SS*.SBendtrans-70.1145.8-169-52.1-169.6-175.4169.4-0.6112K324 Y325 Q326 K348K324-R346 HydrophobicContact CB-CB 4.49Å; K324-R346 HydrophobicContact CB-CG 4.1Å; K324-R346 CarbonylContact O-C 3.44Å; K324-R346 WeakPolarHBondContact O-CA 3.29Å; K324-R346 WeakPolarHBondContact O-CB 3.38Å; Y325-R346 WeakPolarHBondContact O-CD 3.41Å; Q326-R346 HydrophobicContact CB-CB 4.34Å; R346-K348 WeakPolarHBondContact O-CD 2.99Å; R346-K348 WeakPolarHBondContact O-CE 3.39Å; R346-K348 PolarHBondContact O-N 2.83Å
347K92.1Very high82.3Confident22 Ų2263.2 Ų63.210%0.09640%0.397CS..EExtended strand (participates in β ladder)trans-54.3125171.6177.291.5-173.9-140.60109.5N62 E86 N146 V323 K324 Y325 Q326 I349N62-K347 WeakPolarHBondContact OD1-CE 3.5Å; N62-K347 PolarHBondContact OD1-NZ 2.81Å; E86-K347 IonicContact OE2-NZ 3.38Å; E86-K347 PolarHBondContact OE2-NZ 2.9Å; N146-K347 PolarHBondContact ND2-NZ 2.86Å; V323-K347 HydrophobicContact CG2-CB 4.08Å; K324-K347 PolarHBondContact O-N 2.9Å; Y325-K347 CarbonylContact C-O 3.59Å; Y325-K347 VanDerWaalsContact CA-O 3.22Å; Y325-K347 WeakPolarHBondContact CA-O 3.35Å; Q326-K347 PolarHBondContact N-O 2.9Å; K347-I349 HydrophobicContact CG-CG1 4.19Å
348K95.5Very high81.6Confident17 Ų1766.5 Ų66.57%0.07442%0.417CS..EExtended strand (participates in β ladder)trans-86.9133.7176.8-51.1-53.2-178.1-171.50110.4I61 Q326 A336 A339 T340 R346I61-K348 HydrophobicContact CB-CB 4.34Å; I61-K348 HydrophobicContact CG1-CB 4.5Å; I61-K348 PolarHBondContact N-O 2.81Å; Q326-K348 HydrophobicContact CB-CD 4.14Å; A336-K348 HydrophobicContact CB-CB 4.18Å; A336-K348 HydrophobicContact CB-CG 4.45Å; A339-K348 VanDerWaalsContact CB-CE 3.5Å; T340-K348 VanDerWaalsContact OG1-CG 3.32Å; T340-K348 WeakPolarHBondContact OG1-CG 3.2Å; R346-K348 WeakPolarHBondContact O-CD 2.99Å; R346-K348 WeakPolarHBondContact O-CE 3.39Å; R346-K348 PolarHBondContact O-N 2.83Å
349I97Very high80.9Confident1 Ų163.3 Ų63.31%0.00541%0.408CS..EExtended strand (participates in β ladder)trans-132.4111.2-179.6-52.3179000107.5A58 A59 T60 V138 A141 T142 Y325 Q326 L327 V328 K347A58-I349 HydrophobicContact CB-CG2 3.94Å; A59-I349 CarbonylContact O-C 3.6Å; A59-I349 WeakPolarHBondContact O-CA 3.38Å; T60-I349 HydrophobicContact CG2-CG1 4.41Å; V138-I349 HydrophobicContact CB-CD1 4.37Å; V138-I349 HydrophobicContact CG1-CD1 3.71Å; V138-I349 HydrophobicContact CG2-CD1 4.2Å; A141-I349 HydrophobicContact CB-CG2 4.41Å; T142-I349 HydrophobicContact CG2-CD1 3.89Å; Y325-I349 HydrophobicContact CD2-CD1 4.45Å; Y325-I349 HydrophobicContact CG-CD1 4.29Å; Q326-I349 PolarHBondContact O-N 2.93Å; L327-I349 WeakPolarHBondContact CA-O 3.4Å; L327-I349 HydrophobicContact CD2-CB 3.96Å; L327-I349 HydrophobicContact CD2-CD1 4.43Å; L327-I349 HydrophobicContact CD2-CG2 4.17Å; V328-I349 PolarHBondContact N-O 2.81Å; K347-I349 HydrophobicContact CG-CG1 4.19Å
350L97.4Very high80.2Confident0 Ų065.5 Ų65.50%042%0.419CS..EExtended strand (participates in β ladder)trans-68.8133.1171.2-60178.1000108.8L25 A58 A59 I61 W117 V328 F330 A336 F352L25-L350 HydrophobicContact CD1-CD1 4.06Å; A58-L350 CarbonylContact C-O 3.59Å; A58-L350 WeakPolarHBondContact CA-O 3.42Å; A58-L350 WeakPolarHBondContact CB-O 3.39Å; A59-L350 PolarHBondContact N-O 2.77Å; A59-L350 PolarHBondContact O-N 3.27Å; I61-L350 HydrophobicContact CD1-CD1 4.2Å; I61-L350 HydrophobicContact CD1-CD2 4.17Å; I61-L350 HydrophobicContact CD1-CG 4.1Å; I61-L350 HydrophobicContact CG1-CD1 4.34Å; I61-L350 HydrophobicContact CG1-CG 4.21Å; W117-L350 HydrophobicContact CD2-CD1 4.41Å; W117-L350 HydrophobicContact CG-CD1 4.11Å; V328-L350 HydrophobicContact CB-CD2 4.37Å; V328-L350 CarbonylContact O-C 3.56Å; V328-L350 VanDerWaalsContact O-CA 3.3Å; V328-L350 WeakPolarHBondContact O-CA 3.36Å; F330-L350 HydrophobicContact CD2-CD1 4.27Å; A336-L350 HydrophobicContact CB-CD2 3.98Å; L350-F352 HydrophobicContact CB-CE2 4.04Å; L350-F352 HydrophobicContact CB-CZ 4.33Å
351V97.3Very high79.4Confident14 Ų1468.3 Ų68.39%0.08544%0.437CS..EExtended strand (participates in β ladder)trans-122135.8175.6-75.60000109.9A58 L327 V328 F330 W354A58-V351 HydrophobicContact CB-CG1 4.03Å; L327-V351 HydrophobicContact CB-CG2 4.33Å; L327-V351 HydrophobicContact CD2-CG1 3.99Å; V328-V351 VanDerWaalsContact O-CG2 3.32Å; V328-V351 WeakPolarHBondContact O-CG2 3.43Å; V328-V351 PolarHBondContact O-N 3Å; F330-V351 WeakPolarHBondContact CB-O 3.47Å; F330-V351 PolarHBondContact N-O 3.17Å; V351-W354 HydrophobicContact CG2-CE3 3.28Å; V351-W354 HydrophobicContact CG2-CZ3 3.38Å
352F93.7Very high78.8Confident33 Ų3370 Ų7015%0.14544%0.443CS..SBendtrans-107.2-30.6-164.3-65.5-102.3000113.4V56 M57 A59 R118 T119 F330 L350V56-F352 HydrophobicContact CB-CD2 4.27Å; V56-F352 HydrophobicContact CB-CE2 4.24Å; V56-F352 HydrophobicContact CB-CZ 4.43Å; V56-F352 HydrophobicContact CG1-CD2 3.89Å; V56-F352 HydrophobicContact CG1-CE2 3.57Å; V56-F352 HydrophobicContact CG1-CZ 4.03Å; V56-F352 VanDerWaalsContact O-CB 3.23Å; V56-F352 WeakPolarHBondContact O-CB 3.11Å; V56-F352 WeakPolarHBondContact O-CG 3.42Å; M57-F352 PolarHBondContact O-N 2.87Å; M57-F352 VanDerWaalsContact O-N 3.14Å; A59-F352 HydrophobicContact CB-CE2 3.78Å; A59-F352 HydrophobicContact CB-CZ 4.11Å; R118-F352 WeakPolarHBondContact O-CE1 3.42Å; T119-F352 HydrophobicContact CG2-CD1 3.82Å; F330-F352 HydrophobicContact CB-CD1 3.84Å; F330-F352 HydrophobicContact CB-CE1 4.11Å; F330-F352 HydrophobicContact CB-CG 4.2Å; F330-F352 HydrophobicContact CD1-CD1 4Å; F330-F352 HydrophobicContact CD1-CE1 4.11Å; F330-F352 AromaticContact CD2-CD1 3.67Å; F330-F352 HydrophobicContact CD2-CD1 3.67Å; F330-F352 AromaticContact CD2-CE1 3.07Å; F330-F352 HydrophobicContact CD2-CE1 3.07Å; F330-F352 HydrophobicContact CD2-CE2 4.46Å; F330-F352 AromaticContact CD2-CZ 3.54Å; F330-F352 HydrophobicContact CD2-CZ 3.54Å; F330-F352 HydrophobicContact CE1-CD1 4.48Å; F330-F352 HydrophobicContact CE1-CE1 4.31Å; F330-F352 HydrophobicContact CE2-CD1 4.16Å; F330-F352 AromaticContact CE2-CE1 3.31Å; F330-F352 HydrophobicContact CE2-CE1 3.31Å; F330-F352 AromaticContact CE2-CZ 3.9Å; F330-F352 HydrophobicContact CE2-CZ 3.9Å; F330-F352 AromaticContact CG-CD1 3.56Å; F330-F352 HydrophobicContact CG-CD1 3.56Å; F330-F352 AromaticContact CG-CE1 3.5Å; F330-F352 HydrophobicContact CG-CE1 3.5Å; F330-F352 VanDerWaalsContact CG-CE1 3.5Å; F330-F352 HydrophobicContact CG-CG 4.39Å; F330-F352 HydrophobicContact CG-CZ 4.25Å; F330-F352 AromaticContact CZ-CE1 3.95Å; F330-F352 HydrophobicContact CZ-CE1 3.95Å; L350-F352 HydrophobicContact CB-CE2 4.04Å; L350-F352 HydrophobicContact CB-CZ 4.33Å
353E82Confident78.3Confident94 Ų9470.9 Ų70.944%0.43944%0.441SS..SBendtrans-104.691.9166.8-65.8-175.9164.700106.9K55 R90 C355K55-E353 IonicContact NZ-OE1 3.64Å; K55-E353 PolarHBondContact NZ-OE1 3.04Å; R90-E353 IonicContact NH1-OE2 2.75Å; R90-E353 PolarHBondContact NH1-OE2 3.24Å; R90-E353 IonicContact NH2-OE1 2.68Å; R90-E353 IonicContact NH2-OE2 2.7Å; E353-C355 PolarHBondContact O-N 3.43Å
354W57.8Low78.3Confident139 Ų13971 Ų7153%0.52742%0.42SS..  trans-81.2104.4-179.9-172.3-91.5000110L327 P329 V351 G356L327-W354 HydrophobicContact CB-CZ3 4.27Å; P329-W354 HydrophobicContact CB-CD2 4.5Å; P329-W354 HydrophobicContact CB-CE3 4.11Å; P329-W354 HydrophobicContact CB-CZ3 4.49Å; P329-W354 HydrophobicContact CG-CD2 3.98Å; P329-W354 HydrophobicContact CG-CE3 3.65Å; P329-W354 HydrophobicContact CG-CH2 4.04Å; P329-W354 HydrophobicContact CG-CZ2 4.32Å; P329-W354 HydrophobicContact CG-CZ3 3.68Å; V351-W354 HydrophobicContact CG2-CE3 3.28Å; V351-W354 HydrophobicContact CG2-CZ3 3.38Å; W354-G356 VanDerWaalsContact CD1-N 3.32Å
355C43.4Very low79.3Confident134 Ų13467 Ų6791%0.90541%0.409SS*.  trans-10268.2166.6-57.90000108.5E353E353-C355 PolarHBondContact O-N 3.43Å
356G36.7Very low80.1Confident119 Ų11965.6 Ų65.6100%1.22737%0.37SS*.  trans-112.70171.700000111.6W354W354-G356 VanDerWaalsContact CD1-N 3.32Å

Retrieved 356 of 356 residues in 302.9 ms (Link to these results)

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