A0A3B5QZI8_XIPMA Loading...

Probable RNA-binding protein 18

AlphaFold DB , UniProt , Accession A0A3B5QZI8, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 199 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
1M48.3Very low50.2Low244 Ų244142.3 Ų142.3100%1.20286%0.857SS**  094.80-73.5174143.500108.2
2S42.7Very low49.8Very low128 Ų128139.3 Ų139.390%0.89585%0.848SS**  trans-171.2138.1168-62.80000104.9
3S43.8Very low50Low120 Ų120141.1 Ų141.184%0.83985%0.847SS**  cis-163.1139-12.6-178.50000103.3
4A50.3Low50.3Low101 Ų101141.4 Ų141.484%0.83584%0.84SS**  trans-89.6131.4177.400000110.9
5A53.5Low49.7Very low87 Ų87137.7 Ų137.772%0.71983%0.831SS**  trans165.4132156.100000104.6
6E55.5Low49.7Very low195 Ų195138.3 Ų138.391%0.91182%0.822SS**  -150.2153.658.6-77.8164.2132.500112
7T48.6Very low49.5Very low129 Ų129135 Ų13579%0.79181%0.808SS**  trans-93.8130.3-163.5-45.60000111.4
8V56.3Low49.4Very low122 Ų122131.6 Ų131.674%0.73980%0.797SS**  trans1.5107.4148.5-170.90000117.3
9E54.8Low49.5Very low182 Ų182129.8 Ų129.885%0.8579%0.79SS**  trans-120.586.5153.6-82.9-170154.600108.6
10N49.9Very low49.9Very low163 Ų163126.5 Ų126.587%0.87277%0.765SS**  trans-165.466.1167.4-88.8-35.3000110.2
11A48.6Very low50.5Low94 Ų94125.6 Ų125.678%0.77776%0.757SS**  trans-159.320.3175.400000117.4
12S45.5Very low52Low106 Ų106114.4 Ų114.474%0.74170%0.704SS**SBendtrans-111.1-5.1-176.554.60000116.6
13I52.1Low54.3Low163 Ų163110 Ų11084%0.83667%0.67SS**SBendtrans-89-18.1-172.3-61.5-178.8000114
14I54.5Low56.7Low146 Ų146105.9 Ų105.975%0.74964%0.636SS**SBendtrans-102.8-19.2-169.9-52.8177.9000113.2S17I14-S17 PolarHBondContact O-OG 3.45Å
15A41.3Very low58.9Low86 Ų86101.1 Ų101.171%0.71160%0.597SS**G310 helixtrans-81.8-17.5-17400000115S17A15-S17 PolarHBondContact O-N 3.01Å
16E49Very low60.9Low147 Ų147100.2 Ų100.269%0.68758%0.575SS**G310 helixtrans-89.326.9179.7-154.3172.4109.600112.9K50E16-K50 IonicContact OE1-NZ 3.66Å; E16-K50 PolarHBondContact OE1-NZ 3.29Å
17S47.3Very low62.9Low82 Ų8291 Ų9157%0.57353%0.532SS*.G310 helixtrans-103.6-4.8-178.960.80000114.2I14 A15I14-S17 PolarHBondContact O-OG 3.45Å; A15-S17 PolarHBondContact O-N 3.01Å
18A47.4Very low65.2Low74 Ų7484.8 Ų84.861%0.61249%0.494SS*.SBendtrans-104.4-6.7-165.200000117
19S51.5Low67.1Low97 Ų9782.7 Ų82.768%0.67848%0.478SS*.  trans-141.966.5179.559.50000111.8D21S19-D21 PolarHBondContact O-N 2.91Å
20H56.4Low69.1Low63 Ų6374.1 Ų74.129%0.29244%0.438SS..  trans-78.612.6174.2-82.794.2000113.6G22 N73H20-G22 PolarHBondContact O-N 3.34Å; H20-N73 PolarHBondContact CD2-ND2 2.91Å; H20-N73 PolarHBondContact NE2-ND2 3.34Å
21D63.9Low71.3Confident109 Ų10966.8 Ų66.858%0.58340%0.399SS*.THydrogen-bonded Turntrans-70.7-2.6-171.2-57.1-67.3000114.3S19 A104S19-D21 PolarHBondContact O-N 2.91Å; D21-A104 WeakPolarHBondContact OD1-CB 3.31Å
22G79.8Confident73.4Confident9 Ų966 Ų669%0.09339%0.386CS..THydrogen-bonded Turntrans-117.2-10.8-177.700000116.5H20 R77 W101H20-G22 PolarHBondContact O-N 3.34Å; G22-R77 WeakPolarHBondContact O-CG 3.48Å; G22-W101 WeakPolarHBondContact O-CH2 3.39Å; G22-W101 WeakPolarHBondContact O-CZ3 3.17Å
23N91.3Very high75.6Confident35 Ų3568.7 Ų68.719%0.18739%0.385CS..THydrogen-bonded Turntrans-122.5-7.7-165-57.534.3000113N73 F74 S75N23-N73 PolarHBondContact O-OD1 3.32Å; N23-F74 PolarHBondContact O-N 3.45Å; N23-S75 PolarHBondContact ND2-O 3.08Å
24R93.6Very high77.6Confident34 Ų3461.6 Ų61.613%0.12835%0.348CS..EExtended strand (participates in β ladder)trans-96.5130.3-179.1-160.5-178.7-171.9178.53.8111.4D53 V72 A102R24-D53 IonicContact CZ-OD2 3.5Å; R24-D53 IonicContact NH2-OD2 2.91Å; R24-D53 PolarHBondContact NH2-OD2 2.99Å; R24-V72 CarbonylContact C-O 3.45Å; R24-V72 VanDerWaalsContact CA-O 3.3Å; R24-V72 WeakPolarHBondContact CA-O 3.38Å; R24-V72 WeakPolarHBondContact CG-O 3.38Å; R24-A102 HydrophobicContact CB-CB 4.08Å; R24-A102 HydrophobicContact CG-CB 3.79Å; R24-A102 PolarHBondContact O-N 3.24Å
25L95.6Very high79.5Confident0 Ų058 Ų580%033%0.333CS..EExtended strand (participates in β ladder)trans-113.3147.4175.4-52.3-174.9000111.4F71 V72 F74 A80 A83 I84 V99 R100 W101L25-F71 VanDerWaalsContact O-CA 3.32Å; L25-F71 WeakPolarHBondContact O-CA 3.4Å; L25-V72 HydrophobicContact CB-CG1 3.72Å; L25-V72 HydrophobicContact CD1-CG1 4.37Å; L25-V72 HydrophobicContact CG-CG1 4.29Å; L25-V72 PolarHBondContact N-O 3.47Å; L25-V72 PolarHBondContact O-N 2.87Å; L25-F74 HydrophobicContact CD1-CD2 4.11Å; L25-F74 HydrophobicContact CD1-CE2 3.73Å; L25-F74 HydrophobicContact CG-CD2 4.35Å; L25-F74 HydrophobicContact CG-CE2 4.35Å; L25-A80 HydrophobicContact CD1-CB 4.18Å; L25-A80 WeakPolarHBondContact CD1-O 3.36Å; L25-A80 HydrophobicContact CD2-CB 3.95Å; L25-A80 HydrophobicContact CG-CB 4.05Å; L25-A83 HydrophobicContact CD1-CB 3.89Å; L25-I84 HydrophobicContact CD1-CG1 3.91Å; L25-I84 HydrophobicContact CD2-CD1 3.51Å; L25-I84 HydrophobicContact CD2-CG1 3.62Å; L25-I84 HydrophobicContact CG-CG1 4.41Å; L25-V99 HydrophobicContact CB-CG1 4.3Å; L25-V99 HydrophobicContact CD1-CG1 3.93Å; L25-R100 CarbonylContact C-O 3.58Å; L25-R100 WeakPolarHBondContact CA-O 3.46Å; L25-W101 HydrophobicContact CD2-CD2 4.18Å; L25-W101 HydrophobicContact CD2-CE3 3.41Å; L25-W101 VanDerWaalsContact CD2-CE3 3.41Å; L25-W101 HydrophobicContact CD2-CH2 4.35Å; L25-W101 HydrophobicContact CD2-CZ3 3.49Å; L25-W101 VanDerWaalsContact CD2-CZ3 3.49Å
26W96.5Very high82Confident68 Ų6858.1 Ų58.126%0.25832%0.319SS..EExtended strand (participates in β ladder)trans-102128.6163.8175.483.6000108.4Y69 F71 V98 V99 R100 A102W26-Y69 AromaticContact NE1-CD2 3.58Å; W26-Y69 AromaticContact NE1-CG 3.61Å; W26-F71 HydrophobicContact CB-CD1 4.15Å; W26-F71 HydrophobicContact CB-CE1 4.02Å; W26-F71 AromaticContact CD1-CE1 3.48Å; W26-F71 VanDerWaalsContact CD1-CE1 3.48Å; W26-F71 AromaticContact CD1-CZ 3.72Å; W26-F71 HydrophobicContact CG-CE1 4.14Å; W26-V98 HydrophobicContact CZ3-CB 4.08Å; W26-V98 HydrophobicContact CZ3-CG1 3.86Å; W26-V99 WeakPolarHBondContact O-CA 3.37Å; W26-R100 HydrophobicContact CE3-CB 4.31Å; W26-R100 HydrophobicContact CE3-CG 4.38Å; W26-R100 PolarHBondContact N-O 3.15Å; W26-R100 PolarHBondContact O-N 2.96Å; W26-A102 HydrophobicContact CB-CB 4.16Å
27I96.8Very high84.2Confident1 Ų158.8 Ų58.81%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-119121176-57.9165.4000106.9I30 L43 Y69 C70 V72 V98 V99I27-I30 HydrophobicContact CG2-CD1 4.04Å; I27-I30 HydrophobicContact CG2-CG1 4.22Å; I27-L43 HydrophobicContact CD1-CD1 3.9Å; I27-L43 HydrophobicContact CD1-CD2 3.68Å; I27-L43 HydrophobicContact CD1-CG 4.36Å; I27-Y69 CarbonylContact O-C 3.51Å; I27-Y69 WeakPolarHBondContact O-CA 2.87Å; I27-Y69 VanDerWaalsContact O-CB 3.26Å; I27-Y69 WeakPolarHBondContact O-CB 3.48Å; I27-C70 PolarHBondContact N-O 3.5Å; I27-C70 PolarHBondContact O-N 3.01Å; I27-V72 HydrophobicContact CD1-CG1 3.75Å; I27-V72 HydrophobicContact CG1-CG1 4.44Å; I27-V98 CarbonylContact C-O 3.56Å; I27-V98 WeakPolarHBondContact CA-O 3.34Å; I27-V99 HydrophobicContact CG1-CG1 4Å; I27-V99 HydrophobicContact CG1-CG2 4.12Å; I27-V99 HydrophobicContact CG2-CG2 4.26Å
28G96.8Very high86.5Confident0 Ų060 Ų600%031%0.312CS..EExtended strand (participates in β ladder)trans-134.8-176.4-177.900000114I30 V98G28-I30 PolarHBondContact O-N 3.04Å; G28-V98 PolarHBondContact N-O 2.83Å; G28-V98 PolarHBondContact O-N 3.46Å
29N96.9Very high88.7Confident77 Ų7756.6 Ų56.641%0.41228%0.284SS..SBendtrans57.534.8-169.9-164.744.5000112.8G68 K95 K96 V98N29-G68 PolarHBondContact N-O 3.23Å; N29-K95 WeakPolarHBondContact O-CB 3.19Å; N29-K96 PolarHBondContact ND2-O 2.82Å; N29-V98 HydrophobicContact CB-CG2 4.06Å
30I96.2Very high90.8Very high3 Ų353.9 Ų53.92%0.01526%0.263CS..  trans-74.2138.8-179.7-53.2175.4000108.6I27 G28 I34 L39 F54 G68 C70 L97I27-I30 HydrophobicContact CG2-CD1 4.04Å; I27-I30 HydrophobicContact CG2-CG1 4.22Å; G28-I30 PolarHBondContact O-N 3.04Å; I30-I34 HydrophobicContact CG2-CB 3.84Å; I30-I34 HydrophobicContact CG2-CD1 4.14Å; I30-I34 HydrophobicContact CG2-CG1 4.49Å; I30-I34 HydrophobicContact CG2-CG2 4.07Å; I30-L39 HydrophobicContact CD1-CD1 3.8Å; I30-L39 HydrophobicContact CD1-CD2 4.36Å; I30-L39 HydrophobicContact CG2-CD1 4.3Å; I30-F54 HydrophobicContact CD1-CE2 4.42Å; I30-G68 PolarHBondContact N-O 2.78Å; I30-C70 HydrophobicContact CD1-CB 4.43Å; I30-L97 HydrophobicContact CG1-CD2 4.13Å
31D95.6Very high92.7Very high9 Ų956 Ų565%0.04827%0.272CS..  trans-69.6132.4172.8-171.1-55.5000109.4K33 I34 L93 S94 K95D31-K33 PolarHBondContact O-N 3.23Å; D31-K33 WeakPolarHBondContact OD1-CB 3.21Å; D31-K33 WeakPolarHBondContact OD1-CG 3.29Å; D31-K33 PolarHBondContact OD1-N 3.15Å; D31-I34 HydrophobicContact CB-CD1 4.06Å; D31-I34 HydrophobicContact CB-CG1 4.14Å; D31-I34 WeakPolarHBondContact O-CB 2.97Å; D31-I34 PolarHBondContact O-N 3.4Å; D31-L93 HydrophobicContact CB-CB 4.28Å; D31-L93 HydrophobicContact CB-CD1 4.43Å; D31-S94 VanDerWaalsContact OD2-CB 3.23Å; D31-S94 WeakPolarHBondContact OD2-CB 3.2Å; D31-S94 PolarHBondContact OD2-N 2.9Å; D31-S94 PolarHBondContact OD2-OG 3Å; D31-K95 HydrophobicContact CB-CB 4.45Å; D31-K95 HydrophobicContact CB-CD 4.39Å; D31-K95 HydrophobicContact CB-CG 4.33Å
32P92.7Very high94.1Very high78 Ų7853.4 Ų53.451%0.50626%0.258SS..THydrogen-bonded Turntrans-61.3-16.3-177.826.1-36.7000114.2I34 P66P32-I34 VanDerWaalsContact C-N 3.27Å; P32-P66 HydrophobicContact CB-CG 3.94Å
33K93.6Very high94.8Very high162 Ų16253 Ų5370%0.70425%0.254SS*.THydrogen-bonded Turntrans-75.6-15.2173-63.3179.1179.5178.50113D31 L93D31-K33 PolarHBondContact O-N 3.23Å; D31-K33 WeakPolarHBondContact OD1-CB 3.21Å; D31-K33 WeakPolarHBondContact OD1-CG 3.29Å; D31-K33 PolarHBondContact OD1-N 3.15Å; K33-L93 HydrophobicContact CB-CD1 3.75Å
34I93.9Very high95Very high14 Ų1456.2 Ų56.27%0.07227%0.267CS..  trans-82.5120.6178-61176.9000108.9I30 D31 P32 H38 L39 A92 L93I30-I34 HydrophobicContact CG2-CB 3.84Å; I30-I34 HydrophobicContact CG2-CD1 4.14Å; I30-I34 HydrophobicContact CG2-CG1 4.49Å; I30-I34 HydrophobicContact CG2-CG2 4.07Å; D31-I34 HydrophobicContact CB-CD1 4.06Å; D31-I34 HydrophobicContact CB-CG1 4.14Å; D31-I34 WeakPolarHBondContact O-CB 2.97Å; D31-I34 PolarHBondContact O-N 3.4Å; P32-I34 VanDerWaalsContact C-N 3.27Å; I34-H38 HydrophobicContact CG2-CB 3.96Å; I34-L39 HydrophobicContact CG2-CD1 4.22Å; I34-L39 HydrophobicContact CG2-CD2 4.1Å; I34-L39 HydrophobicContact CG2-CG 3.77Å; I34-A92 HydrophobicContact CD1-CB 3.58Å; I34-L93 HydrophobicContact CD1-CD1 4.25Å; I34-L93 HydrophobicContact CD1-CG 4.21Å; I34-L93 HydrophobicContact CG1-CD1 3.52Å; I34-L93 HydrophobicContact CG1-CG 3.97Å
35T94.5Very high95.1Very high70 Ų7062.3 Ų62.343%0.42930%0.295SS..  trans-85.7162.717463.40000111.7Y37 H38 L39T35-Y37 PolarHBondContact O-N 3.38Å; T35-H38 PolarHBondContact O-N 2.74Å; T35-H38 PolarHBondContact OG1-CD2 3.04Å; T35-L39 PolarHBondContact O-N 3.48Å
36E93.8Very high95.1Very high89 Ų8964 Ų6442%0.41630%0.302SS..Hα-helixtrans-49.2-44.5171.3155.4165.2-138.300112.5H38 L39 V40 F52 F54E36-H38 VanDerWaalsContact C-N 3.31Å; E36-H38 PolarHBondContact O-N 2.81Å; E36-L39 PolarHBondContact O-N 2.81Å; E36-L39 VanDerWaalsContact O-N 3.07Å; E36-V40 HydrophobicContact CG-CG2 4.23Å; E36-V40 WeakPolarHBondContact O-CG2 3.33Å; E36-V40 PolarHBondContact O-N 3.31Å; E36-F52 HydrophobicContact CB-CE1 3.99Å; E36-F52 HydrophobicContact CG-CD1 4.06Å; E36-F52 HydrophobicContact CG-CE1 3.53Å; E36-F52 VanDerWaalsContact OE1-CD1 3.28Å; E36-F52 WeakPolarHBondContact OE1-CD1 3.5Å; E36-F54 HydrophobicContact CB-CB 4.33Å; E36-F54 HydrophobicContact CB-CD1 4.44Å; E36-F54 HydrophobicContact CB-CG 4.27Å
37Y94.7Very high94.9Very high160 Ų16061.3 Ų61.363%0.62730%0.296SS*.Hα-helixtrans-55.4-43.8-179.8178.2-98.9000112.8T35 L39 K41T35-Y37 PolarHBondContact O-N 3.38Å; Y37-L39 VanDerWaalsContact C-N 3.33Å; Y37-L39 PolarHBondContact O-N 3.22Å; Y37-K41 WeakPolarHBondContact O-CB 3.47Å; Y37-K41 PolarHBondContact O-N 2.86Å
38H94.6Very high94.8Very high107 Ų10768.7 Ų68.750%0.49533%0.328SS..Hα-helixtrans-64.9-37.8179.3-65.8-48.8000112.4I34 T35 E36 L42I34-H38 HydrophobicContact CG2-CB 3.96Å; T35-H38 PolarHBondContact O-N 2.74Å; T35-H38 PolarHBondContact OG1-CD2 3.04Å; E36-H38 VanDerWaalsContact C-N 3.31Å; E36-H38 PolarHBondContact O-N 2.81Å; H38-L42 WeakPolarHBondContact O-CB 3.44Å; H38-L42 PolarHBondContact O-N 3.48Å; H38-L42 VanDerWaalsContact O-N 3.08Å
39L95.2Very high94.7Very high4 Ų470.6 Ų70.62%0.02134%0.339CS..Hα-helixtrans-70.9-46.6178.9-69.2165.6000111.2I30 I34 T35 E36 Y37 K41 L42 L43 F52 F54I30-L39 HydrophobicContact CD1-CD1 3.8Å; I30-L39 HydrophobicContact CD1-CD2 4.36Å; I30-L39 HydrophobicContact CG2-CD1 4.3Å; I34-L39 HydrophobicContact CG2-CD1 4.22Å; I34-L39 HydrophobicContact CG2-CD2 4.1Å; I34-L39 HydrophobicContact CG2-CG 3.77Å; T35-L39 PolarHBondContact O-N 3.48Å; E36-L39 PolarHBondContact O-N 2.81Å; E36-L39 VanDerWaalsContact O-N 3.07Å; Y37-L39 VanDerWaalsContact C-N 3.33Å; Y37-L39 PolarHBondContact O-N 3.22Å; L39-K41 VanDerWaalsContact C-N 3.29Å; L39-K41 PolarHBondContact O-N 3.2Å; L39-L42 WeakPolarHBondContact O-CB 3.5Å; L39-L42 PolarHBondContact O-N 3.04Å; L39-L42 VanDerWaalsContact O-N 3.14Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 WeakPolarHBondContact O-CD1 3.19Å; L39-L43 WeakPolarHBondContact O-CG 3.46Å; L39-L43 PolarHBondContact O-N 3.05Å; L39-F52 HydrophobicContact CB-CE2 4.1Å; L39-F52 HydrophobicContact CB-CZ 3.79Å; L39-F52 HydrophobicContact CD1-CZ 4.15Å; L39-F54 HydrophobicContact CD1-CD2 3.7Å; L39-F54 HydrophobicContact CD1-CE2 3.49Å; L39-F54 VanDerWaalsContact CD1-CE2 3.49Å
40V95.3Very high94.5Very high39 Ų3971.8 Ų71.824%0.23634%0.341CS..Hα-helixtrans-56.7-47.4175.8173.90000109.7E36 L42 L43 E44 F52E36-V40 HydrophobicContact CG-CG2 4.23Å; E36-V40 WeakPolarHBondContact O-CG2 3.33Å; E36-V40 PolarHBondContact O-N 3.31Å; V40-L42 VanDerWaalsContact C-N 3.25Å; V40-L42 PolarHBondContact O-N 2.96Å; V40-L43 PolarHBondContact O-N 2.87Å; V40-L43 VanDerWaalsContact O-N 3.1Å; V40-E44 HydrophobicContact CG1-CG 4.4Å; V40-E44 WeakPolarHBondContact O-CG 3.1Å; V40-E44 PolarHBondContact O-N 3.43Å; V40-F52 HydrophobicContact CG2-CD1 3.81Å; V40-F52 HydrophobicContact CG2-CD2 4.17Å; V40-F52 HydrophobicContact CG2-CE1 3.9Å; V40-F52 HydrophobicContact CG2-CE2 4.25Å; V40-F52 HydrophobicContact CG2-CG 3.95Å; V40-F52 HydrophobicContact CG2-CZ 4.12Å
41K95Very high94.3Very high107 Ų10775.9 Ų75.947%0.46536%0.36SS..Hα-helixtrans-63.4-32-180-165.264.9-172.4165.90113.7Y37 L39 E44Y37-K41 WeakPolarHBondContact O-CB 3.47Å; Y37-K41 PolarHBondContact O-N 2.86Å; L39-K41 VanDerWaalsContact C-N 3.29Å; L39-K41 PolarHBondContact O-N 3.2Å; K41-E44 WeakPolarHBondContact CD-OE2 3.09Å; K41-E44 IonicContact NZ-OE2 2.82Å; K41-E44 PolarHBondContact NZ-OE2 3.09Å
42L94.1Very high94.3Very high55 Ų5577 Ų7729%0.28837%0.365SS..Hα-helixtrans-72.7-41.6174.9-177.861.2000111.4H38 L39 V40 K45 F46 L87 L97H38-L42 WeakPolarHBondContact O-CB 3.44Å; H38-L42 PolarHBondContact O-N 3.48Å; H38-L42 VanDerWaalsContact O-N 3.08Å; L39-L42 WeakPolarHBondContact O-CB 3.5Å; L39-L42 PolarHBondContact O-N 3.04Å; L39-L42 VanDerWaalsContact O-N 3.14Å; V40-L42 VanDerWaalsContact C-N 3.25Å; V40-L42 PolarHBondContact O-N 2.96Å; L42-K45 WeakPolarHBondContact O-CB 3.45Å; L42-K45 PolarHBondContact O-N 3.22Å; L42-F46 HydrophobicContact CD1-CE2 4.43Å; L42-F46 HydrophobicContact CG-CE2 4.44Å; L42-F46 WeakPolarHBondContact O-CD2 3.47Å; L42-F46 VanDerWaalsContact O-CE2 3.26Å; L42-F46 WeakPolarHBondContact O-CE2 3.48Å; L42-L87 HydrophobicContact CD1-CD2 4.19Å; L42-L87 HydrophobicContact CD2-CD2 3.74Å; L42-L87 HydrophobicContact CG-CD2 3.92Å; L42-L97 HydrophobicContact CD2-CD1 4.27Å
43L95.2Very high94.3Very high2 Ų275.4 Ų75.41%0.0135%0.352CS..Hα-helixtrans-72.4-34.4-176.4-68.9163.9000112.8I27 L39 V40 K45 F46 V49 F52 V72 F74 L87I27-L43 HydrophobicContact CD1-CD1 3.9Å; I27-L43 HydrophobicContact CD1-CD2 3.68Å; I27-L43 HydrophobicContact CD1-CG 4.36Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 WeakPolarHBondContact O-CD1 3.19Å; L39-L43 WeakPolarHBondContact O-CG 3.46Å; L39-L43 PolarHBondContact O-N 3.05Å; V40-L43 PolarHBondContact O-N 2.87Å; V40-L43 VanDerWaalsContact O-N 3.1Å; L43-K45 PolarHBondContact O-N 3.43Å; L43-F46 PolarHBondContact O-N 3.41Å; L43-V49 HydrophobicContact CB-CG2 4.08Å; L43-F52 HydrophobicContact CD1-CD2 4.02Å; L43-F52 HydrophobicContact CD1-CE2 3.67Å; L43-V72 HydrophobicContact CD1-CB 4.21Å; L43-V72 HydrophobicContact CD1-CG1 4.37Å; L43-V72 HydrophobicContact CD1-CG2 4.1Å; L43-V72 HydrophobicContact CD2-CG1 4.42Å; L43-F74 HydrophobicContact CB-CZ 4.25Å; L43-F74 HydrophobicContact CD2-CE2 4.36Å; L43-F74 HydrophobicContact CD2-CZ 3.85Å; L43-L87 HydrophobicContact CD2-CD1 3.68Å
44E94.8Very high94.4Very high102 Ų10268.9 Ų68.948%0.47732%0.324SS..THydrogen-bonded Turntrans-53.1-25.2173.3-80179.217500113.4V40 K41 F46V40-E44 HydrophobicContact CG1-CG 4.4Å; V40-E44 WeakPolarHBondContact O-CG 3.1Å; V40-E44 PolarHBondContact O-N 3.43Å; K41-E44 WeakPolarHBondContact CD-OE2 3.09Å; K41-E44 IonicContact NZ-OE2 2.82Å; K41-E44 PolarHBondContact NZ-OE2 3.09Å; E44-F46 VanDerWaalsContact C-N 3.28Å; E44-F46 PolarHBondContact O-N 3.45Å
45K95.3Very high94.4Very high162 Ų16270.9 Ų70.970%0.70433%0.334SS*.THydrogen-bonded Turntrans-72.2-19.9179-60.3-175.5178.5-173.70113.6L42 L43L42-K45 WeakPolarHBondContact O-CB 3.45Å; L42-K45 PolarHBondContact O-N 3.22Å; L43-K45 PolarHBondContact O-N 3.43Å
46F94.9Very high94.4Very high34 Ų3472.2 Ų72.215%0.14933%0.334CS..THydrogen-bonded Turntrans-102.6-26.4-174.5-58.4-75.5000112.9L42 L43 E44 R82 A83 C86 L87L42-F46 HydrophobicContact CD1-CE2 4.43Å; L42-F46 HydrophobicContact CG-CE2 4.44Å; L42-F46 WeakPolarHBondContact O-CD2 3.47Å; L42-F46 VanDerWaalsContact O-CE2 3.26Å; L42-F46 WeakPolarHBondContact O-CE2 3.48Å; L43-F46 PolarHBondContact O-N 3.41Å; E44-F46 VanDerWaalsContact C-N 3.28Å; E44-F46 PolarHBondContact O-N 3.45Å; F46-R82 PolarHBondContact O-NH2 3.35Å; F46-R82 VanDerWaalsContact O-NH2 3.15Å; F46-A83 HydrophobicContact CB-CB 4.02Å; F46-A83 HydrophobicContact CD2-CB 4.47Å; F46-A83 HydrophobicContact CG-CB 4.18Å; F46-C86 HydrophobicContact CD1-CB 4.1Å; F46-C86 HydrophobicContact CE1-CB 3.31Å; F46-C86 HydrophobicContact CZ-CB 3.87Å; F46-L87 HydrophobicContact CD2-CD1 4.05Å; F46-L87 HydrophobicContact CD2-CG 4.37Å; F46-L87 HydrophobicContact CE2-CD1 3.7Å; F46-L87 HydrophobicContact CE2-CD2 3.62Å; F46-L87 HydrophobicContact CE2-CG 3.64Å; F46-L87 HydrophobicContact CZ-CD1 4.39Å; F46-L87 HydrophobicContact CZ-CD2 3.74Å; F46-L87 HydrophobicContact CZ-CG 3.84Å
47G93.8Very high94.4Very high13 Ų1369.7 Ų69.713%0.13432%0.322CS..SBendtrans175.4178.3-177.900000113.4E79G47-E79 VanDerWaalsContact CA-CD 3.4Å; G47-E79 WeakPolarHBondContact CA-OE1 3.04Å
48K95.2Very high94.4Very high155 Ų15570.1 Ų70.167%0.67433%0.327SS*.  trans-81.4120.9177.7-174178.1-178.6-177.60110.4S75 E79K48-S75 PolarHBondContact O-N 3.28Å; K48-E79 PolarHBondContact N-OE1 3.01Å; K48-E79 PolarHBondContact N-OE2 3.21Å
49V94.1Very high94.4Very high40 Ų4069.4 Ų69.424%0.24233%0.334CS..EExtended strand (participates in β ladder)trans-81.7121.2177.51790000110L43 Q51 F52 V72 F74L43-V49 HydrophobicContact CB-CG2 4.08Å; V49-Q51 WeakPolarHBondContact CG1-O 3.37Å; V49-F52 HydrophobicContact CG1-CB 4.1Å; V49-V72 HydrophobicContact CB-CG2 4.42Å; V49-V72 HydrophobicContact CG1-CG2 3.68Å; V49-V72 HydrophobicContact CG2-CG2 3.97Å; V49-F74 HydrophobicContact CG2-CD1 4.42Å; V49-F74 HydrophobicContact CG2-CE1 3.99Å
50K92.8Very high94.4Very high102 Ų10271.4 Ų71.444%0.44336%0.356SS..EExtended strand (participates in β ladder)trans-83.5-43173.7-79.7-176.2169.2174.50111.7E16 N73E16-K50 IonicContact OE1-NZ 3.66Å; E16-K50 PolarHBondContact OE1-NZ 3.29Å; K50-N73 PolarHBondContact N-O 3.14Å
51Q91.8Very high94.3Very high89 Ų8976.3 Ų76.342%0.41639%0.388SS..EExtended strand (participates in β ladder)trans-143142.8-179.5-172.7-178.59.800110V49 D53 V72 N73V49-Q51 WeakPolarHBondContact CG1-O 3.37Å; Q51-D53 PolarHBondContact NE2-OD1 3.03Å; Q51-D53 VanDerWaalsContact NE2-OD1 3.1Å; Q51-V72 WeakPolarHBondContact O-CA 3.37Å; Q51-N73 HydrophobicContact CB-CB 3.87Å; Q51-N73 PolarHBondContact N-O 3.39Å; Q51-N73 PolarHBondContact O-N 3.1Å
52F94.6Very high94.3Very high33 Ų3375 Ų7515%0.14539%0.386CS..EExtended strand (participates in β ladder)trans-136.7122.1176.3-176-97.3000109.4E36 L39 V40 L43 V49 F54 C70 V72E36-F52 HydrophobicContact CB-CE1 3.99Å; E36-F52 HydrophobicContact CG-CD1 4.06Å; E36-F52 HydrophobicContact CG-CE1 3.53Å; E36-F52 VanDerWaalsContact OE1-CD1 3.28Å; E36-F52 WeakPolarHBondContact OE1-CD1 3.5Å; L39-F52 HydrophobicContact CB-CE2 4.1Å; L39-F52 HydrophobicContact CB-CZ 3.79Å; L39-F52 HydrophobicContact CD1-CZ 4.15Å; V40-F52 HydrophobicContact CG2-CD1 3.81Å; V40-F52 HydrophobicContact CG2-CD2 4.17Å; V40-F52 HydrophobicContact CG2-CE1 3.9Å; V40-F52 HydrophobicContact CG2-CE2 4.25Å; V40-F52 HydrophobicContact CG2-CG 3.95Å; V40-F52 HydrophobicContact CG2-CZ 4.12Å; L43-F52 HydrophobicContact CD1-CD2 4.02Å; L43-F52 HydrophobicContact CD1-CE2 3.67Å; V49-F52 HydrophobicContact CG1-CB 4.1Å; F52-F54 HydrophobicContact CD1-CB 4.45Å; F52-F54 HydrophobicContact CE1-CB 3.69Å; F52-F54 HydrophobicContact CE1-CD2 4.46Å; F52-F54 HydrophobicContact CE1-CG 4.45Å; F52-F54 HydrophobicContact CZ-CB 4.27Å; F52-F54 HydrophobicContact CZ-CD2 4.3Å; F52-C70 HydrophobicContact CE2-CB 4.32Å; F52-C70 HydrophobicContact CZ-CB 4.18Å; F52-V72 HydrophobicContact CD2-CB 4.23Å; F52-V72 HydrophobicContact CD2-CG2 4.35Å
53D94.2Very high94.3Very high45 Ų4578.5 Ų78.524%0.24140%0.401CS..EExtended strand (participates in β ladder)trans-119.5108.9179.4-51.7-45.5000109.3R24 Q51 L55 C70 F71R24-D53 IonicContact CZ-OD2 3.5Å; R24-D53 IonicContact NH2-OD2 2.91Å; R24-D53 PolarHBondContact NH2-OD2 2.99Å; Q51-D53 PolarHBondContact NE2-OD1 3.03Å; Q51-D53 VanDerWaalsContact NE2-OD1 3.1Å; D53-L55 HydrophobicContact CB-CD1 4.22Å; D53-C70 CarbonylContact O-C 3.53Å; D53-C70 WeakPolarHBondContact O-CA 3.42Å; D53-C70 WeakPolarHBondContact O-CB 3.18Å; D53-F71 HydrophobicContact CB-CB 4.26Å; D53-F71 PolarHBondContact N-O 3.27Å; D53-F71 PolarHBondContact O-N 3.04Å
54F95.4Very high94.2Very high25 Ų2581 Ų8111%0.1143%0.427CS..EExtended strand (participates in β ladder)trans-103.9118.5174.5-169.7-98.6000110.3I30 E36 L39 F52 F56 P66 C70I30-F54 HydrophobicContact CD1-CE2 4.42Å; E36-F54 HydrophobicContact CB-CB 4.33Å; E36-F54 HydrophobicContact CB-CD1 4.44Å; E36-F54 HydrophobicContact CB-CG 4.27Å; L39-F54 HydrophobicContact CD1-CD2 3.7Å; L39-F54 HydrophobicContact CD1-CE2 3.49Å; L39-F54 VanDerWaalsContact CD1-CE2 3.49Å; F52-F54 HydrophobicContact CD1-CB 4.45Å; F52-F54 HydrophobicContact CE1-CB 3.69Å; F52-F54 HydrophobicContact CE1-CD2 4.46Å; F52-F54 HydrophobicContact CE1-CG 4.45Å; F52-F54 HydrophobicContact CZ-CB 4.27Å; F52-F54 HydrophobicContact CZ-CD2 4.3Å; F54-F56 HydrophobicContact CD1-CD2 4.28Å; F54-F56 AromaticContact CD1-CE1 3.98Å; F54-F56 HydrophobicContact CD1-CE1 3.98Å; F54-F56 AromaticContact CD1-CE2 3.53Å; F54-F56 HydrophobicContact CD1-CE2 3.53Å; F54-F56 AromaticContact CD1-CZ 3.35Å; F54-F56 HydrophobicContact CD1-CZ 3.35Å; F54-F56 HydrophobicContact CE1-CD1 4.44Å; F54-F56 AromaticContact CE1-CE1 3.68Å; F54-F56 HydrophobicContact CE1-CE1 3.68Å; F54-F56 HydrophobicContact CE1-CE2 4.12Å; F54-F56 AromaticContact CE1-CZ 3.5Å; F54-F56 HydrophobicContact CE1-CZ 3.5Å; F54-P66 HydrophobicContact CE1-CB 3.66Å; F54-P66 HydrophobicContact CZ-CB 3.63Å; F54-C70 HydrophobicContact CB-CB 4.41Å; F54-C70 HydrophobicContact CD2-CB 3.79Å
55L93.9Very high94.1Very high56 Ų5680.9 Ų80.929%0.29343%0.426SS..EExtended strand (participates in β ladder)trans-95.8136.5-168.3-75.783.7000112D53 R67 Y69 F71D53-L55 HydrophobicContact CB-CD1 4.22Å; L55-R67 HydrophobicContact CB-CB 4.23Å; L55-R67 WeakPolarHBondContact O-CB 3.36Å; L55-R67 PolarHBondContact O-N 3.39Å; L55-Y69 HydrophobicContact CB-CE2 4.11Å; L55-Y69 HydrophobicContact CD1-CD2 4.37Å; L55-Y69 HydrophobicContact CD1-CE2 3.95Å; L55-Y69 HydrophobicContact CD2-CE2 3.74Å; L55-Y69 HydrophobicContact CG-CE2 4.14Å; L55-F71 HydrophobicContact CD1-CD2 3.7Å; L55-F71 HydrophobicContact CD1-CE2 3.96Å
56F94.6Very high94.1Very high98 Ų9874.6 Ų74.643%0.4340%0.402SS..EExtended strand (participates in β ladder)trans-114.5155.2174-60.8-90.6000110.8F54 K58 G64 Q65 P66F54-F56 HydrophobicContact CD1-CD2 4.28Å; F54-F56 AromaticContact CD1-CE1 3.98Å; F54-F56 HydrophobicContact CD1-CE1 3.98Å; F54-F56 AromaticContact CD1-CE2 3.53Å; F54-F56 HydrophobicContact CD1-CE2 3.53Å; F54-F56 AromaticContact CD1-CZ 3.35Å; F54-F56 HydrophobicContact CD1-CZ 3.35Å; F54-F56 HydrophobicContact CE1-CD1 4.44Å; F54-F56 AromaticContact CE1-CE1 3.68Å; F54-F56 HydrophobicContact CE1-CE1 3.68Å; F54-F56 HydrophobicContact CE1-CE2 4.12Å; F54-F56 AromaticContact CE1-CZ 3.5Å; F54-F56 HydrophobicContact CE1-CZ 3.5Å; F56-K58 PolarHBondContact O-N 3.24Å; F56-G64 WeakPolarHBondContact CD1-O 3.35Å; F56-Q65 WeakPolarHBondContact CA-O 3.37Å; F56-P66 HydrophobicContact CD1-CB 4.35Å; F56-P66 HydrophobicContact CE1-CB 4.3Å
57H93.9Very high94.1Very high35 Ų3579.2 Ų79.216%0.16242%0.419CS..  trans-64119.5168.4-74-101.9000109.6L62 E63 G64 Q65 R67H57-L62 HydrophobicContact CB-CB 4.34Å; H57-L62 WeakPolarHBondContact CB-O 3.39Å; H57-E63 WeakPolarHBondContact O-CA 3.39Å; H57-G64 PolarHBondContact O-N 3.27Å; H57-Q65 PolarHBondContact CD2-O 3.43Å; H57-Q65 PolarHBondContact N-O 2.8Å; H57-R67 VanDerWaalsContact CE1-CD 3.46Å; H57-R67 WeakPolarHBondContact CE1-CD 3.26Å; H57-R67 PolarHBondContact CE1-NH1 2.98Å; H57-R67 PolarHBondContact ND1-NH1 2.91Å; H57-R67 WeakPolarHBondContact NE2-CD 3.35Å
58K93.7Very high94.1Very high170 Ų17079.4 Ų79.474%0.73942%0.42SS*.  trans-84.4-12.6-179.6-61.6-174.4178.4-176.40114F56F56-K58 PolarHBondContact O-N 3.24Å
59S94.3Very high94.2Very high91 Ų9175.1 Ų75.164%0.63640%0.4SS*.SBendtrans-158.8158.8-175.8-50.40000111.1
60G95.1Very high94.3Very high46 Ų4673.2 Ų73.247%0.47439%0.389SS..SBendtrans91.7-170.717400000113.5L62 E63G60-L62 PolarHBondContact O-N 2.81Å; G60-E63 VanDerWaalsContact O-CB 3.31Å; G60-E63 WeakPolarHBondContact O-CB 3.46Å; G60-E63 PolarHBondContact O-N 3.24Å
61P94.9Very high94.4Very high142 Ų14270.5 Ų70.592%0.92238%0.377SS*.THydrogen-bonded Turntrans-62.9-17.9-173.1-23.433.6000115
62L93.3Very high94.6Very high79 Ų7966.3 Ų66.341%0.41436%0.358SS..THydrogen-bonded Turntrans-104.612.5-179.3-56.9177.2000112.1H57 G60 G64 Q65H57-L62 HydrophobicContact CB-CB 4.34Å; H57-L62 WeakPolarHBondContact CB-O 3.39Å; G60-L62 PolarHBondContact O-N 2.81Å; L62-G64 PolarHBondContact O-N 2.77Å; L62-Q65 HydrophobicContact CB-CB 4.48Å; L62-Q65 WeakPolarHBondContact O-CB 3.38Å; L62-Q65 WeakPolarHBondContact O-CG 3.3Å; L62-Q65 PolarHBondContact O-N 2.83Å
63E95.3Very high94.5Very high130 Ų13065.2 Ų65.261%0.60735%0.353SS*.THydrogen-bonded Turntrans-51136-179.6-174.4173.6166.400112.1H57 G60 Q65H57-E63 WeakPolarHBondContact O-CA 3.39Å; G60-E63 VanDerWaalsContact O-CB 3.31Å; G60-E63 WeakPolarHBondContact O-CB 3.46Å; G60-E63 PolarHBondContact O-N 3.24Å; E63-Q65 PolarHBondContact O-N 2.99Å
64G91.8Very high94.6Very high53 Ų5363 Ų6355%0.54634%0.342SS..THydrogen-bonded Turntrans77.6-9.5-175.300000114.9F56 H57 L62F56-G64 WeakPolarHBondContact CD1-O 3.35Å; H57-G64 PolarHBondContact O-N 3.27Å; L62-G64 PolarHBondContact O-N 2.77Å
65Q93.9Very high94.5Very high100 Ų10063.7 Ų63.747%0.46735%0.349SS..SBendtrans-80.1147.9173.6-61.7-168.77.300111.8F56 H57 L62 E63 R67F56-Q65 WeakPolarHBondContact CA-O 3.37Å; H57-Q65 PolarHBondContact CD2-O 3.43Å; H57-Q65 PolarHBondContact N-O 2.8Å; L62-Q65 HydrophobicContact CB-CB 4.48Å; L62-Q65 WeakPolarHBondContact O-CB 3.38Å; L62-Q65 WeakPolarHBondContact O-CG 3.3Å; L62-Q65 PolarHBondContact O-N 2.83Å; E63-Q65 PolarHBondContact O-N 2.99Å; Q65-R67 PolarHBondContact O-N 2.92Å
66P94.9Very high94.4Very high31 Ų3163.4 Ų63.420%0.20135%0.35CS..EExtended strand (participates in β ladder)trans-63.4134.5176.525.9-34.5000110.7P32 F54 F56 G68P32-P66 HydrophobicContact CB-CG 3.94Å; F54-P66 HydrophobicContact CE1-CB 3.66Å; F54-P66 HydrophobicContact CZ-CB 3.63Å; F56-P66 HydrophobicContact CD1-CB 4.35Å; F56-P66 HydrophobicContact CE1-CB 4.3Å; P66-G68 PolarHBondContact O-N 3.46Å
67R94.4Very high94.3Very high131 Ų13163.8 Ų63.849%0.49435%0.348SS..EExtended strand (participates in β ladder)trans-72-9.5179.9-16663.7175.6-153.81.2112.7L55 H57 Q65 Y69L55-R67 HydrophobicContact CB-CB 4.23Å; L55-R67 WeakPolarHBondContact O-CB 3.36Å; L55-R67 PolarHBondContact O-N 3.39Å; H57-R67 VanDerWaalsContact CE1-CD 3.46Å; H57-R67 WeakPolarHBondContact CE1-CD 3.26Å; H57-R67 PolarHBondContact CE1-NH1 2.98Å; H57-R67 PolarHBondContact ND1-NH1 2.91Å; H57-R67 WeakPolarHBondContact NE2-CD 3.35Å; Q65-R67 PolarHBondContact O-N 2.92Å; R67-Y69 HydrophobicContact CB-CD1 4.23Å; R67-Y69 HydrophobicContact CB-CE1 3.98Å; R67-Y69 HydrophobicContact CG-CD1 3.76Å; R67-Y69 HydrophobicContact CG-CE1 3.15Å
68G95Very high94.4Very high16 Ų1667.1 Ų67.117%0.16536%0.364CS..EExtended strand (participates in β ladder)trans82.916177.900000114.2N29 I30 P66N29-G68 PolarHBondContact N-O 3.23Å; I30-G68 PolarHBondContact N-O 2.78Å; P66-G68 PolarHBondContact O-N 3.46Å
69Y95.9Very high94.4Very high65 Ų6560.5 Ų60.526%0.25534%0.336SS..EExtended strand (participates in β ladder)trans-148.1159.3170.867.1-97.4000111.8W26 I27 L55 R67 F71W26-Y69 AromaticContact NE1-CD2 3.58Å; W26-Y69 AromaticContact NE1-CG 3.61Å; I27-Y69 CarbonylContact O-C 3.51Å; I27-Y69 WeakPolarHBondContact O-CA 2.87Å; I27-Y69 VanDerWaalsContact O-CB 3.26Å; I27-Y69 WeakPolarHBondContact O-CB 3.48Å; L55-Y69 HydrophobicContact CB-CE2 4.11Å; L55-Y69 HydrophobicContact CD1-CD2 4.37Å; L55-Y69 HydrophobicContact CD1-CE2 3.95Å; L55-Y69 HydrophobicContact CD2-CE2 3.74Å; L55-Y69 HydrophobicContact CG-CE2 4.14Å; R67-Y69 HydrophobicContact CB-CD1 4.23Å; R67-Y69 HydrophobicContact CB-CE1 3.98Å; R67-Y69 HydrophobicContact CG-CD1 3.76Å; R67-Y69 HydrophobicContact CG-CE1 3.15Å; Y69-F71 HydrophobicContact CD2-CE2 4.04Å; Y69-F71 HydrophobicContact CD2-CZ 4.44Å; Y69-F71 AromaticContact CE2-CE2 3.71Å; Y69-F71 HydrophobicContact CE2-CE2 3.71Å; Y69-F71 HydrophobicContact CE2-CZ 4.23Å
70C96.1Very high94.5Very high0 Ų056.1 Ų56.10%031%0.305CS..EExtended strand (participates in β ladder)trans-141.5165.4173.766.70000111.4I27 I30 F52 D53 F54I27-C70 PolarHBondContact N-O 3.5Å; I27-C70 PolarHBondContact O-N 3.01Å; I30-C70 HydrophobicContact CD1-CB 4.43Å; F52-C70 HydrophobicContact CE2-CB 4.32Å; F52-C70 HydrophobicContact CZ-CB 4.18Å; D53-C70 CarbonylContact O-C 3.53Å; D53-C70 WeakPolarHBondContact O-CA 3.42Å; D53-C70 WeakPolarHBondContact O-CB 3.18Å; F54-C70 HydrophobicContact CB-CB 4.41Å; F54-C70 HydrophobicContact CD2-CB 3.79Å
71F95.6Very high94.5Very high46 Ų4657.3 Ų57.320%0.20230%0.298CS..EExtended strand (participates in β ladder)trans-115.1140.6169.6-61.1-84.9000109.7L25 W26 D53 L55 Y69 A102L25-F71 VanDerWaalsContact O-CA 3.32Å; L25-F71 WeakPolarHBondContact O-CA 3.4Å; W26-F71 HydrophobicContact CB-CD1 4.15Å; W26-F71 HydrophobicContact CB-CE1 4.02Å; W26-F71 AromaticContact CD1-CE1 3.48Å; W26-F71 VanDerWaalsContact CD1-CE1 3.48Å; W26-F71 AromaticContact CD1-CZ 3.72Å; W26-F71 HydrophobicContact CG-CE1 4.14Å; D53-F71 HydrophobicContact CB-CB 4.26Å; D53-F71 PolarHBondContact N-O 3.27Å; D53-F71 PolarHBondContact O-N 3.04Å; L55-F71 HydrophobicContact CD1-CD2 3.7Å; L55-F71 HydrophobicContact CD1-CE2 3.96Å; Y69-F71 HydrophobicContact CD2-CE2 4.04Å; Y69-F71 HydrophobicContact CD2-CZ 4.44Å; Y69-F71 AromaticContact CE2-CE2 3.71Å; Y69-F71 HydrophobicContact CE2-CE2 3.71Å; Y69-F71 HydrophobicContact CE2-CZ 4.23Å; F71-A102 HydrophobicContact CD1-CB 3.83Å; F71-A102 HydrophobicContact CE1-CB 4.1Å
72V95.4Very high94.5Very high1 Ų156 Ų561%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-131.4137175.360.30000109R24 L25 I27 L43 V49 Q51 F52 F74R24-V72 CarbonylContact C-O 3.45Å; R24-V72 VanDerWaalsContact CA-O 3.3Å; R24-V72 WeakPolarHBondContact CA-O 3.38Å; R24-V72 WeakPolarHBondContact CG-O 3.38Å; L25-V72 HydrophobicContact CB-CG1 3.72Å; L25-V72 HydrophobicContact CD1-CG1 4.37Å; L25-V72 HydrophobicContact CG-CG1 4.29Å; L25-V72 PolarHBondContact N-O 3.47Å; L25-V72 PolarHBondContact O-N 2.87Å; I27-V72 HydrophobicContact CD1-CG1 3.75Å; I27-V72 HydrophobicContact CG1-CG1 4.44Å; L43-V72 HydrophobicContact CD1-CB 4.21Å; L43-V72 HydrophobicContact CD1-CG1 4.37Å; L43-V72 HydrophobicContact CD1-CG2 4.1Å; L43-V72 HydrophobicContact CD2-CG1 4.42Å; V49-V72 HydrophobicContact CB-CG2 4.42Å; V49-V72 HydrophobicContact CG1-CG2 3.68Å; V49-V72 HydrophobicContact CG2-CG2 3.97Å; Q51-V72 WeakPolarHBondContact O-CA 3.37Å; F52-V72 HydrophobicContact CD2-CB 4.23Å; F52-V72 HydrophobicContact CD2-CG2 4.35Å; V72-F74 HydrophobicContact CG1-CD2 4.3Å; V72-F74 HydrophobicContact CG1-CE2 3.73Å; V72-F74 HydrophobicContact CG2-CD2 4.25Å; V72-F74 HydrophobicContact CG2-CE2 3.92Å; V72-F74 HydrophobicContact CG2-CZ 4.18Å
73N93.9Very high94.7Very high9 Ų952.2 Ų52.25%0.04826%0.255CS..EExtended strand (participates in β ladder)trans-113.4118.2173.2-167.13.7000108.2H20 N23 K50 Q51H20-N73 PolarHBondContact CD2-ND2 2.91Å; H20-N73 PolarHBondContact NE2-ND2 3.34Å; N23-N73 PolarHBondContact O-OD1 3.32Å; K50-N73 PolarHBondContact N-O 3.14Å; Q51-N73 HydrophobicContact CB-CB 3.87Å; Q51-N73 PolarHBondContact N-O 3.39Å; Q51-N73 PolarHBondContact O-N 3.1Å
74F95.1Very high94.7Very high0 Ų047.3 Ų47.30%023%0.233CC..EExtended strand (participates in β ladder)trans-87.2162.7178-78.3-81000111.7N23 L25 L43 V49 V72 E79 A80 A83N23-F74 PolarHBondContact O-N 3.45Å; L25-F74 HydrophobicContact CD1-CD2 4.11Å; L25-F74 HydrophobicContact CD1-CE2 3.73Å; L25-F74 HydrophobicContact CG-CD2 4.35Å; L25-F74 HydrophobicContact CG-CE2 4.35Å; L43-F74 HydrophobicContact CB-CZ 4.25Å; L43-F74 HydrophobicContact CD2-CE2 4.36Å; L43-F74 HydrophobicContact CD2-CZ 3.85Å; V49-F74 HydrophobicContact CG2-CD1 4.42Å; V49-F74 HydrophobicContact CG2-CE1 3.99Å; V72-F74 HydrophobicContact CG1-CD2 4.3Å; V72-F74 HydrophobicContact CG1-CE2 3.73Å; V72-F74 HydrophobicContact CG2-CD2 4.25Å; V72-F74 HydrophobicContact CG2-CE2 3.92Å; V72-F74 HydrophobicContact CG2-CZ 4.18Å; F74-E79 HydrophobicContact CB-CB 4.1Å; F74-E79 HydrophobicContact CD1-CB 4.01Å; F74-E79 HydrophobicContact CG-CB 4.19Å; F74-A80 HydrophobicContact CB-CB 4.21Å; F74-A80 HydrophobicContact CD2-CB 3.84Å; F74-A80 HydrophobicContact CG-CB 4.32Å; F74-A83 HydrophobicContact CE2-CB 3.92Å; F74-A83 HydrophobicContact CZ-CB 3.94Å
75S92.8Very high94.9Very high38 Ų3852.1 Ų52.127%0.26624%0.241SC..SBendtrans-66.8-42176.8-164.60000111.4N23 K48 E79N23-S75 PolarHBondContact ND2-O 3.08Å; K48-S75 PolarHBondContact O-N 3.28Å; S75-E79 PolarHBondContact N-OE2 2.79Å
76T92.6Very high95Very high50 Ų5049.8 Ų49.831%0.30724%0.235SC..SBendtrans-124.9161.7177.688.20000112.4E78 E79 A80T76-E78 WeakPolarHBondContact CB-OE2 3.23Å; T76-E78 PolarHBondContact OG1-OE2 3.29Å; T76-E79 PolarHBondContact N-OE2 2.92Å; T76-E79 PolarHBondContact OG1-N 3.02Å; T76-A80 PolarHBondContact O-N 3.41Å
77R93.2Very high95.1Very high107 Ų10748.5 Ų48.540%0.40423%0.227SC..Hα-helixtrans-69-37178.2173.2170.1-179.1125.83.6111.9G22 E79 A80 E81 W101G22-R77 WeakPolarHBondContact O-CG 3.48Å; R77-E79 VanDerWaalsContact C-N 3.3Å; R77-E79 PolarHBondContact O-N 3.26Å; R77-A80 WeakPolarHBondContact O-CA 3.34Å; R77-A80 WeakPolarHBondContact O-CB 3.35Å; R77-A80 PolarHBondContact O-N 2.99Å; R77-A80 VanDerWaalsContact O-N 3.09Å; R77-E81 HydrophobicContact CG-CG 4.38Å; R77-E81 IonicContact CZ-OE1 3.29Å; R77-E81 IonicContact NE-OE1 3.93Å; R77-E81 PolarHBondContact NE-OE1 2.9Å; R77-E81 IonicContact NH2-OE1 3.02Å; R77-E81 PolarHBondContact O-N 2.81Å; R77-W101 HydrophobicContact CG-CH2 4.27Å
78E94.4Very high95.2Very high105 Ų10546.2 Ų46.249%0.49122%0.224SC..Hα-helixtrans-65.5-37.4-178.3-54.570.4-150.400110.7T76 A80 E81 R82T76-E78 WeakPolarHBondContact CB-OE2 3.23Å; T76-E78 PolarHBondContact OG1-OE2 3.29Å; E78-A80 VanDerWaalsContact C-N 3.34Å; E78-E81 PolarHBondContact O-N 2.78Å; E78-R82 WeakPolarHBondContact O-CG 3.48Å; E78-R82 PolarHBondContact O-N 2.83Å
79E94.9Very high95.2Very high30 Ų3047.5 Ų47.514%0.1424%0.237CC..Hα-helixtrans-58.9-45.1170.8-73.8177.5158.800111.7G47 K48 F74 S75 T76 R77 R82 A83G47-E79 VanDerWaalsContact CA-CD 3.4Å; G47-E79 WeakPolarHBondContact CA-OE1 3.04Å; K48-E79 PolarHBondContact N-OE1 3.01Å; K48-E79 PolarHBondContact N-OE2 3.21Å; F74-E79 HydrophobicContact CB-CB 4.1Å; F74-E79 HydrophobicContact CD1-CB 4.01Å; F74-E79 HydrophobicContact CG-CB 4.19Å; S75-E79 PolarHBondContact N-OE2 2.79Å; T76-E79 PolarHBondContact N-OE2 2.92Å; T76-E79 PolarHBondContact OG1-N 3.02Å; R77-E79 VanDerWaalsContact C-N 3.3Å; R77-E79 PolarHBondContact O-N 3.26Å; E79-R82 PolarHBondContact O-N 2.99Å; E79-A83 PolarHBondContact O-N 2.86Å
80A95.1Very high95.2Very high0 Ų049.8 Ų49.80%025%0.249CC..Hα-helixtrans-65.6-41.9178.200000112L25 F74 T76 R77 E78 A83 I84 W101L25-A80 HydrophobicContact CD1-CB 4.18Å; L25-A80 WeakPolarHBondContact CD1-O 3.36Å; L25-A80 HydrophobicContact CD2-CB 3.95Å; L25-A80 HydrophobicContact CG-CB 4.05Å; F74-A80 HydrophobicContact CB-CB 4.21Å; F74-A80 HydrophobicContact CD2-CB 3.84Å; F74-A80 HydrophobicContact CG-CB 4.32Å; T76-A80 PolarHBondContact O-N 3.41Å; R77-A80 WeakPolarHBondContact O-CA 3.34Å; R77-A80 WeakPolarHBondContact O-CB 3.35Å; R77-A80 PolarHBondContact O-N 2.99Å; R77-A80 VanDerWaalsContact O-N 3.09Å; E78-A80 VanDerWaalsContact C-N 3.34Å; A80-A83 WeakPolarHBondContact O-CB 3.36Å; A80-A83 PolarHBondContact O-N 2.94Å; A80-I84 WeakPolarHBondContact O-CG1 3.18Å; A80-I84 PolarHBondContact O-N 3.44Å; A80-W101 HydrophobicContact CB-CH2 4.03Å; A80-W101 HydrophobicContact CB-CZ3 3.78Å
81E95.4Very high95.2Very high71 Ų7155.6 Ų55.633%0.33228%0.279SS..Hα-helixtrans-60.3-46.6176.1-76.6179.2-176.800112R77 E78 A83 I84 Q85 W101R77-E81 HydrophobicContact CG-CG 4.38Å; R77-E81 IonicContact CZ-OE1 3.29Å; R77-E81 IonicContact NE-OE1 3.93Å; R77-E81 PolarHBondContact NE-OE1 2.9Å; R77-E81 IonicContact NH2-OE1 3.02Å; R77-E81 PolarHBondContact O-N 2.81Å; E78-E81 PolarHBondContact O-N 2.78Å; E81-A83 VanDerWaalsContact C-N 3.29Å; E81-A83 PolarHBondContact O-N 2.95Å; E81-I84 PolarHBondContact O-N 3.05Å; E81-Q85 WeakPolarHBondContact O-CG 3.2Å; E81-Q85 PolarHBondContact O-N 3.07Å; E81-W101 HydrophobicContact CG-CH2 3.56Å; E81-W101 HydrophobicContact CG-CZ2 3.5Å
82R96.1Very high95Very high113 Ų11354.3 Ų54.343%0.42628%0.277SS..Hα-helixtrans-59.6-41.7175.2-71.5-171.4-55.5-100.28.9111.6F46 E78 E79 Q85 C86F46-R82 PolarHBondContact O-NH2 3.35Å; F46-R82 VanDerWaalsContact O-NH2 3.15Å; E78-R82 WeakPolarHBondContact O-CG 3.48Å; E78-R82 PolarHBondContact O-N 2.83Å; E79-R82 PolarHBondContact O-N 2.99Å; R82-Q85 PolarHBondContact O-N 3.18Å; R82-C86 VanDerWaalsContact O-CB 3.29Å; R82-C86 WeakPolarHBondContact O-CB 3.1Å; R82-C86 PolarHBondContact O-N 3.28Å; R82-C86 PolarHBondContact O-SG 2.83Å; R82-C86 VanDerWaalsContact O-SG 3.32Å
83A96.1Very high94.9Very high0 Ų059.2 Ų59.20%030%0.303CS..Hα-helixtrans-62.9-43.817700000111.9L25 F46 F74 E79 A80 E81 C86 L87L25-A83 HydrophobicContact CD1-CB 3.89Å; F46-A83 HydrophobicContact CB-CB 4.02Å; F46-A83 HydrophobicContact CD2-CB 4.47Å; F46-A83 HydrophobicContact CG-CB 4.18Å; F74-A83 HydrophobicContact CE2-CB 3.92Å; F74-A83 HydrophobicContact CZ-CB 3.94Å; E79-A83 PolarHBondContact O-N 2.86Å; A80-A83 WeakPolarHBondContact O-CB 3.36Å; A80-A83 PolarHBondContact O-N 2.94Å; E81-A83 VanDerWaalsContact C-N 3.29Å; E81-A83 PolarHBondContact O-N 2.95Å; A83-C86 PolarHBondContact O-N 2.83Å; A83-L87 HydrophobicContact CB-CD1 4.45Å; A83-L87 WeakPolarHBondContact O-CB 3.48Å; A83-L87 WeakPolarHBondContact O-CG 3.44Å; A83-L87 PolarHBondContact O-N 3.3Å
84I96.3Very high94.9Very high28 Ų2863 Ų6314%0.14433%0.33CS..Hα-helixtrans-58.5-53.4175.2-65.6167.1000110.5L25 A80 E81 C86 N88 V99 W101L25-I84 HydrophobicContact CD1-CG1 3.91Å; L25-I84 HydrophobicContact CD2-CD1 3.51Å; L25-I84 HydrophobicContact CD2-CG1 3.62Å; L25-I84 HydrophobicContact CG-CG1 4.41Å; A80-I84 WeakPolarHBondContact O-CG1 3.18Å; A80-I84 PolarHBondContact O-N 3.44Å; E81-I84 PolarHBondContact O-N 3.05Å; I84-C86 VanDerWaalsContact C-N 3.26Å; I84-C86 PolarHBondContact O-N 3.45Å; I84-N88 WeakPolarHBondContact O-CB 3.28Å; I84-N88 PolarHBondContact O-N 3.08Å; I84-V99 HydrophobicContact CB-CG1 4.47Å; I84-V99 HydrophobicContact CG1-CG1 3.92Å; I84-W101 HydrophobicContact CD1-CD2 3.56Å; I84-W101 HydrophobicContact CD1-CE3 3.94Å; I84-W101 HydrophobicContact CD1-CG 4.16Å; I84-W101 HydrophobicContact CD1-CH2 3.85Å; I84-W101 HydrophobicContact CD1-CZ2 3.48Å; I84-W101 VanDerWaalsContact CD1-CZ2 3.48Å; I84-W101 HydrophobicContact CD1-CZ3 4.04Å
85Q96.6Very high94.9Very high153 Ų15366.9 Ų66.972%0.71535%0.347SS*.Hα-helixtrans-60.1-38.5-176-70.3175.80.300111.9E81 R82E81-Q85 WeakPolarHBondContact O-CG 3.2Å; E81-Q85 PolarHBondContact O-N 3.07Å; R82-Q85 PolarHBondContact O-N 3.18Å
86C95.4Very high95.1Very high51 Ų5171.3 Ų71.335%0.34536%0.362SS..Hα-helixtrans-85.8-34.2-176.2-70.10000114F46 R82 A83 I84 K90F46-C86 HydrophobicContact CD1-CB 4.1Å; F46-C86 HydrophobicContact CE1-CB 3.31Å; F46-C86 HydrophobicContact CZ-CB 3.87Å; R82-C86 VanDerWaalsContact O-CB 3.29Å; R82-C86 WeakPolarHBondContact O-CB 3.1Å; R82-C86 PolarHBondContact O-N 3.28Å; R82-C86 PolarHBondContact O-SG 2.83Å; R82-C86 VanDerWaalsContact O-SG 3.32Å; A83-C86 PolarHBondContact O-N 2.83Å; I84-C86 VanDerWaalsContact C-N 3.26Å; I84-C86 PolarHBondContact O-N 3.45Å; C86-K90 WeakPolarHBondContact O-CD 3.23Å; C86-K90 WeakPolarHBondContact O-CE 3.46Å; C86-K90 WeakPolarHBondContact O-CG 3.32Å; C86-K90 PolarHBondContact O-NZ 2.82Å
87L95.9Very high95.3Very high4 Ų469.1 Ų69.12%0.02135%0.348CS..Hα-helixtrans-97.8-26.7-171.7-68.4176.6000113.5L42 L43 F46 A83 G89 K90 V99L42-L87 HydrophobicContact CD1-CD2 4.19Å; L42-L87 HydrophobicContact CD2-CD2 3.74Å; L42-L87 HydrophobicContact CG-CD2 3.92Å; L43-L87 HydrophobicContact CD2-CD1 3.68Å; F46-L87 HydrophobicContact CD2-CD1 4.05Å; F46-L87 HydrophobicContact CD2-CG 4.37Å; F46-L87 HydrophobicContact CE2-CD1 3.7Å; F46-L87 HydrophobicContact CE2-CD2 3.62Å; F46-L87 HydrophobicContact CE2-CG 3.64Å; F46-L87 HydrophobicContact CZ-CD1 4.39Å; F46-L87 HydrophobicContact CZ-CD2 3.74Å; F46-L87 HydrophobicContact CZ-CG 3.84Å; A83-L87 HydrophobicContact CB-CD1 4.45Å; A83-L87 WeakPolarHBondContact O-CB 3.48Å; A83-L87 WeakPolarHBondContact O-CG 3.44Å; A83-L87 PolarHBondContact O-N 3.3Å; L87-G89 PolarHBondContact O-N 2.95Å; L87-K90 WeakPolarHBondContact O-CB 3.45Å; L87-K90 PolarHBondContact O-N 3.27Å; L87-V99 HydrophobicContact CB-CG2 3.73Å
88N97.3Very high95.5Very high83 Ų8365.8 Ų65.844%0.44434%0.339SS..THydrogen-bonded Turntrans-63.5123.5179.7-172.437000110.5I84 K90 V99I84-N88 WeakPolarHBondContact O-CB 3.28Å; I84-N88 PolarHBondContact O-N 3.08Å; N88-K90 VanDerWaalsContact C-N 3.31Å; N88-K90 PolarHBondContact O-N 2.93Å; N88-V99 HydrophobicContact CB-CB 4.19Å; N88-V99 PolarHBondContact OD1-N 3.25Å
89G96.2Very high95.6Very high43 Ų4361 Ų6144%0.44332%0.317SS..THydrogen-bonded Turntrans82.8-3.8-176.700000115.1L87 L97L87-G89 PolarHBondContact O-N 2.95Å; G89-L97 WeakPolarHBondContact CA-O 3.39Å; G89-L97 PolarHBondContact N-O 3.1Å
90K95.1Very high95.6Very high113 Ų11367.2 Ų67.249%0.49134%0.339SS..  trans-70.8139176.4-81.2-162.3173.51680111.9C86 L87 N88 A92 K96 L97C86-K90 WeakPolarHBondContact O-CD 3.23Å; C86-K90 WeakPolarHBondContact O-CE 3.46Å; C86-K90 WeakPolarHBondContact O-CG 3.32Å; C86-K90 PolarHBondContact O-NZ 2.82Å; L87-K90 WeakPolarHBondContact O-CB 3.45Å; L87-K90 PolarHBondContact O-N 3.27Å; N88-K90 VanDerWaalsContact C-N 3.31Å; N88-K90 PolarHBondContact O-N 2.93Å; K90-A92 PolarHBondContact O-N 3.1Å; K90-K96 CarbonylContact O-C 3.53Å; K90-K96 WeakPolarHBondContact O-CA 3.26Å; K90-L97 PolarHBondContact O-N 3.2Å
91L95.4Very high95.6Very high123 Ų12371.7 Ų71.764%0.64436%0.356SS*.EExtended strand (participates in β ladder)trans-75.4122.5176.3-164.478.9000109.9K96L91-K96 HydrophobicContact CD1-CG 3.87Å
92A92.4Very high95.5Very high19 Ų1968.8 Ų68.816%0.15735%0.345CS..EExtended strand (participates in β ladder)trans-122.6106.3171.800000108.2I34 K90 S94 K95 L97I34-A92 HydrophobicContact CD1-CB 3.58Å; K90-A92 PolarHBondContact O-N 3.1Å; A92-S94 PolarHBondContact O-N 3.1Å; A92-K95 CarbonylContact C-O 3.58Å; A92-K95 PolarHBondContact N-O 2.95Å; A92-K95 PolarHBondContact O-N 3.4Å; A92-K95 VanDerWaalsContact O-O 3.07Å; A92-L97 HydrophobicContact CB-CD1 3.91Å; A92-L97 HydrophobicContact CB-CD2 3.82Å; A92-L97 HydrophobicContact CB-CG 3.71Å
93L92Very high94.9Very high103 Ų10371.6 Ų71.654%0.53936%0.362SS..THydrogen-bonded Turntrans55.5-116.4-168.1-55.1-179.3000111.4D31 K33 I34D31-L93 HydrophobicContact CB-CB 4.28Å; D31-L93 HydrophobicContact CB-CD1 4.43Å; K33-L93 HydrophobicContact CB-CD1 3.75Å; I34-L93 HydrophobicContact CD1-CD1 4.25Å; I34-L93 HydrophobicContact CD1-CG 4.21Å; I34-L93 HydrophobicContact CG1-CD1 3.52Å; I34-L93 HydrophobicContact CG1-CG 3.97Å
94S94.2Very high93.6Very high90 Ų9073.5 Ų73.563%0.62938%0.378SS*.THydrogen-bonded Turntrans-91.4-6.3-174.1-23.30000113.2D31 A92D31-S94 VanDerWaalsContact OD2-CB 3.23Å; D31-S94 WeakPolarHBondContact OD2-CB 3.2Å; D31-S94 PolarHBondContact OD2-N 2.9Å; D31-S94 PolarHBondContact OD2-OG 3Å; A92-S94 PolarHBondContact O-N 3.1Å
95K95.2Very high92.1Very high80 Ų8080.1 Ų80.135%0.34841%0.408SS..EExtended strand (participates in β ladder)trans-128.1149.5-172-64.4-170.3179.3-179.20112.2N29 D31 A92N29-K95 WeakPolarHBondContact O-CB 3.19Å; D31-K95 HydrophobicContact CB-CB 4.45Å; D31-K95 HydrophobicContact CB-CD 4.39Å; D31-K95 HydrophobicContact CB-CG 4.33Å; A92-K95 CarbonylContact C-O 3.58Å; A92-K95 PolarHBondContact N-O 2.95Å; A92-K95 PolarHBondContact O-N 3.4Å; A92-K95 VanDerWaalsContact O-O 3.07Å
96K97Very high90.2Very high132 Ų13282.3 Ų82.357%0.57441%0.41SS*.EExtended strand (participates in β ladder)trans-86.9126.5171.6-65.7-177.5-179.4179.60109.9N29 K90 L91N29-K96 PolarHBondContact ND2-O 2.82Å; K90-K96 CarbonylContact O-C 3.53Å; K90-K96 WeakPolarHBondContact O-CA 3.26Å; L91-K96 HydrophobicContact CD1-CG 3.87Å
97L97.2Very high88.1Confident3 Ų387.4 Ų87.42%0.01643%0.426CS..  trans-66142.9176.6-60.9180000110.4I30 L42 G89 K90 A92I30-L97 HydrophobicContact CG1-CD2 4.13Å; L42-L97 HydrophobicContact CD2-CD1 4.27Å; G89-L97 WeakPolarHBondContact CA-O 3.39Å; G89-L97 PolarHBondContact N-O 3.1Å; K90-L97 PolarHBondContact O-N 3.2Å; A92-L97 HydrophobicContact CB-CD1 3.91Å; A92-L97 HydrophobicContact CB-CD2 3.82Å; A92-L97 HydrophobicContact CB-CG 3.71Å
98V97.4Very high85.8Confident38 Ų3894.7 Ų94.723%0.2346%0.46CS..EExtended strand (participates in β ladder)trans-116.2121.7171.1-177.20000107.5W26 I27 G28 N29 R100W26-V98 HydrophobicContact CZ3-CB 4.08Å; W26-V98 HydrophobicContact CZ3-CG1 3.86Å; I27-V98 CarbonylContact C-O 3.56Å; I27-V98 WeakPolarHBondContact CA-O 3.34Å; G28-V98 PolarHBondContact N-O 2.83Å; G28-V98 PolarHBondContact O-N 3.46Å; N29-V98 HydrophobicContact CB-CG2 4.06Å; V98-R100 HydrophobicContact CG1-CG 4.31Å
99V96.8Very high83.2Confident3 Ų393.4 Ų93.42%0.01847%0.467CS..EExtended strand (participates in β ladder)trans-120.3130.2-179-169.60000109.5L25 W26 I27 I84 L87 N88L25-V99 HydrophobicContact CB-CG1 4.3Å; L25-V99 HydrophobicContact CD1-CG1 3.93Å; W26-V99 WeakPolarHBondContact O-CA 3.37Å; I27-V99 HydrophobicContact CG1-CG1 4Å; I27-V99 HydrophobicContact CG1-CG2 4.12Å; I27-V99 HydrophobicContact CG2-CG2 4.26Å; I84-V99 HydrophobicContact CB-CG1 4.47Å; I84-V99 HydrophobicContact CG1-CG1 3.92Å; L87-V99 HydrophobicContact CB-CG2 3.73Å; N88-V99 HydrophobicContact CB-CB 4.19Å; N88-V99 PolarHBondContact OD1-N 3.25Å
100R95.7Very high80.8Confident161 Ų16198.5 Ų98.561%0.60848%0.477SS*.EExtended strand (participates in β ladder)trans-142.5161.6-178.2-62-177.5-176.6176.6-0.1110.4L25 W26 V98 A102L25-R100 CarbonylContact C-O 3.58Å; L25-R100 WeakPolarHBondContact CA-O 3.46Å; W26-R100 HydrophobicContact CE3-CB 4.31Å; W26-R100 HydrophobicContact CE3-CG 4.38Å; W26-R100 PolarHBondContact N-O 3.15Å; W26-R100 PolarHBondContact O-N 2.96Å; V98-R100 HydrophobicContact CG1-CG 4.31Å; R100-A102 PolarHBondContact O-N 3.04Å
101W94.8Very high78.5Confident95 Ų95103.3 Ų103.336%0.3649%0.492SS..EExtended strand (participates in β ladder)trans-58.4130.3165.2-63.3115.8000110.3G22 L25 R77 A80 E81 I84G22-W101 WeakPolarHBondContact O-CH2 3.39Å; G22-W101 WeakPolarHBondContact O-CZ3 3.17Å; L25-W101 HydrophobicContact CD2-CD2 4.18Å; L25-W101 HydrophobicContact CD2-CE3 3.41Å; L25-W101 VanDerWaalsContact CD2-CE3 3.41Å; L25-W101 HydrophobicContact CD2-CH2 4.35Å; L25-W101 HydrophobicContact CD2-CZ3 3.49Å; L25-W101 VanDerWaalsContact CD2-CZ3 3.49Å; R77-W101 HydrophobicContact CG-CH2 4.27Å; A80-W101 HydrophobicContact CB-CH2 4.03Å; A80-W101 HydrophobicContact CB-CZ3 3.78Å; E81-W101 HydrophobicContact CG-CH2 3.56Å; E81-W101 HydrophobicContact CG-CZ2 3.5Å; I84-W101 HydrophobicContact CD1-CD2 3.56Å; I84-W101 HydrophobicContact CD1-CE3 3.94Å; I84-W101 HydrophobicContact CD1-CG 4.16Å; I84-W101 HydrophobicContact CD1-CH2 3.85Å; I84-W101 HydrophobicContact CD1-CZ2 3.48Å; I84-W101 VanDerWaalsContact CD1-CZ2 3.48Å; I84-W101 HydrophobicContact CD1-CZ3 4.04Å
102A92.8Very high76.3Confident10 Ų10104.5 Ų104.58%0.08350%0.499CS..PPolyproline II helixtrans-85.7138172.500000109.3R24 W26 F71 R100R24-A102 HydrophobicContact CB-CB 4.08Å; R24-A102 HydrophobicContact CG-CB 3.79Å; R24-A102 PolarHBondContact O-N 3.24Å; W26-A102 HydrophobicContact CB-CB 4.16Å; F71-A102 HydrophobicContact CD1-CB 3.83Å; F71-A102 HydrophobicContact CE1-CB 4.1Å; R100-A102 PolarHBondContact O-N 3.04Å
103H83.8Confident74.1Confident171 Ų171109.9 Ų109.979%0.79252%0.521SS*.PPolyproline II helixtrans-73.8133.4168.7-6374.2000107.7Q105H103-Q105 VanDerWaalsContact C-N 3.26Å; H103-Q105 PolarHBondContact O-N 2.94Å
104A68.9Low72.3Confident41 Ų41115.1 Ų115.134%0.33954%0.54SS..  trans-69.187.3177.300000109.3D21 R106D21-A104 WeakPolarHBondContact OD1-CB 3.31Å; A104-R106 PolarHBondContact O-N 2.94Å; A104-R106 VanDerWaalsContact O-N 3.1Å
105Q63.9Low69.9Low166 Ų166115.9 Ų115.978%0.77654%0.541SS*.  trans-72105.9161-163.9133.7-8.900105.7H103 F107H103-Q105 VanDerWaalsContact C-N 3.26Å; H103-Q105 PolarHBondContact O-N 2.94Å; Q105-F107 PolarHBondContact O-N 3.43Å
106R57.5Low67.2Low199 Ų199120.3 Ų120.375%0.75156%0.564SS**  trans-50111.1165-72.6-170.9-178.6-169.80.8105.7A104 E108A104-R106 PolarHBondContact O-N 2.94Å; A104-R106 VanDerWaalsContact O-N 3.1Å; R106-E108 PolarHBondContact O-N 3.27Å
107F51.3Low64.7Low158 Ų158120.1 Ų120.169%0.69358%0.577SS**  trans-74.874.8174.8-166.6-90.7000106Q105 G109 F110Q105-F107 PolarHBondContact O-N 3.43Å; F107-G109 PolarHBondContact O-N 3.3Å; F107-G109 VanDerWaalsContact O-N 3.15Å; F107-F110 HydrophobicContact CE1-CD2 4.41Å; F107-F110 HydrophobicContact CE2-CD2 4.07Å; F107-F110 AromaticContact CE2-CE2 3.88Å; F107-F110 HydrophobicContact CE2-CE2 3.88Å; F107-F110 AromaticContact CZ-CD2 3.79Å; F107-F110 HydrophobicContact CZ-CD2 3.79Å; F107-F110 HydrophobicContact CZ-CE2 4.09Å
108E46.4Very low61.9Low157 Ų157125 Ų12573%0.73462%0.618SS**  trans-60.4113.3162.5-76.2-73.5141.800105.3R106 F110R106-E108 PolarHBondContact O-N 3.27Å; E108-F110 PolarHBondContact O-N 3.47Å
109G42.2Very low59.7Low56 Ų56128.1 Ų128.158%0.57764%0.641SS**  trans-49.3131.4-170.800000111.5F107 R111F107-G109 PolarHBondContact O-N 3.3Å; F107-G109 VanDerWaalsContact O-N 3.15Å; G109-R111 PolarHBondContact O-N 2.74Å
110F46.8Very low57.2Low151 Ų151136.1 Ų136.166%0.66268%0.683SS**  trans-62.985.2165.7-70.8-88.1000108.7F107 E108 N112F107-F110 HydrophobicContact CE1-CD2 4.41Å; F107-F110 HydrophobicContact CE2-CD2 4.07Å; F107-F110 AromaticContact CE2-CE2 3.88Å; F107-F110 HydrophobicContact CE2-CE2 3.88Å; F107-F110 AromaticContact CZ-CD2 3.79Å; F107-F110 HydrophobicContact CZ-CD2 3.79Å; F107-F110 HydrophobicContact CZ-CE2 4.09Å; E108-F110 PolarHBondContact O-N 3.47Å; F110-N112 PolarHBondContact O-N 2.99Å
111R46.8Very low54.9Low213 Ų213137.2 Ų137.280%0.80470%0.695SS**  trans-74.385166.8-165.7174.4160-176.7-7.5106.6G109 E113G109-R111 PolarHBondContact O-N 2.74Å; R111-E113 VanDerWaalsContact C-N 3.28Å; R111-E113 IonicContact NH2-OE2 3.86Å; R111-E113 PolarHBondContact O-N 3.03Å
112N49.7Very low52.2Low149 Ų149138.5 Ų138.580%0.79772%0.715SS**  trans-6786.9172.3-73.8-12000109.1F110F110-N112 PolarHBondContact O-N 2.99Å
113E44.7Very low49.6Very low131 Ų131143.7 Ų143.761%0.61275%0.751SS**  trans-108.1103.8163.5-159.918094.800108.7R111 T115R111-E113 VanDerWaalsContact C-N 3.28Å; R111-E113 IonicContact NH2-OE2 3.86Å; R111-E113 PolarHBondContact O-N 3.03Å; E113-T115 PolarHBondContact O-N 2.91Å; E113-T115 VanDerWaalsContact O-N 3.1Å; E113-T115 PolarHBondContact OE1-OG1 3.35Å; E113-T115 VanDerWaalsContact OE1-OG1 3.12Å
114K55Low47Very low214 Ų214141.8 Ų141.893%0.9376%0.756SS**  trans-69.396166.1-66.5174178.8174.40107.4
115T42.8Very low45.7Very low106 Ų106145.4 Ų145.465%0.6578%0.778SS**  trans-125.6121.2166.7-52.40000109.6E113E113-T115 PolarHBondContact O-N 2.91Å; E113-T115 VanDerWaalsContact O-N 3.1Å; E113-T115 PolarHBondContact OE1-OG1 3.35Å; E113-T115 VanDerWaalsContact OE1-OG1 3.12Å
116M38.5Very low44.2Very low172 Ų172141 Ų14185%0.84778%0.777SS**  trans-54154.5-171-56.8-86.5-143.300114.2A118M116-A118 PolarHBondContact O-N 3.39Å
117P44.9Very low43.1Very low128 Ų128136.5 Ų136.583%0.83178%0.776SS**  trans-80.5114.5173.432.2-30.6000110.7
118A39.5Very low42.5Very low106 Ų106134.8 Ų134.888%0.87678%0.779SS**  trans-98.590.2163.600000108.7M116M116-A118 PolarHBondContact O-N 3.39Å
119S51.7Low42.1Very low103 Ų103135.8 Ų135.872%0.7278%0.784SS**  trans-94.9101.6168.5174.10000108.6
120L43.3Very low41.9Very low171 Ų171138.2 Ų138.290%0.89580%0.798SS**  trans-152.296.8154.2-72.8-179.1000108.3
121E46.8Very low41.4Very low184 Ų184134.5 Ų134.586%0.8680%0.803SS**  trans-69145.1165.1-63.4-103109.400110
122P39.4Very low40.9Very low122 Ų122129.8 Ų129.879%0.79280%0.802SS**  trans-115.8123.914427.9-15.2000110.4C124P122-C124 PolarHBondContact O-N 3.23Å
123S37.1Very low40.5Very low120 Ų120129.1 Ų129.184%0.83980%0.798SS**  trans-47.5125.4177.4-48.40000113.2
124C30.2Very low40.4Very low131 Ų131128.5 Ų128.589%0.88580%0.803SS**  trans-93.2119.116354.80000109.5P122P122-C124 PolarHBondContact O-N 3.23Å
125S41.2Very low40.2Very low116 Ų116125.6 Ų125.681%0.81180%0.803SS**  trans-122.9110.6162.858.20000109
126G31.4Very low40.7Very low73 Ų73124 Ų12475%0.75380%0.797SS**  trans77.6135.9163.500000114.7
127S36Very low41.9Very low105 Ų105123.9 Ų123.973%0.73480%0.799SS**  cis-173.6147.811.225.20000108.2
128T37.1Very low43.1Very low122 Ų122121.8 Ų121.875%0.74878%0.781SS**  trans60.2123.7152.754.60000116
129E38.6Very low44.7Very low179 Ų179120.3 Ų120.384%0.83676%0.764SS**  cis-176.6163.232.651.6-160.3113.900108.9
130A39.2Very low45.9Very low106 Ų106120.1 Ų120.188%0.87676%0.759SS**  trans63.8103.8166.900000118.3
131G35.7Very low47.5Very low74 Ų74114.8 Ų114.876%0.76374%0.735SS**  trans150.575.1158.100000114.3I133G131-I133 PolarHBondContact O-N 2.78Å
132S35.3Very low49.2Very low113 Ų113107.2 Ų107.279%0.7971%0.705SS**  trans-53.6134.9148.4179.30000108.2
133I41.7Very low51.2Low136 Ų136106.9 Ų106.970%0.69769%0.691SS**  trans158.8105.5138.5-77.2151.8000109G131G131-I133 PolarHBondContact O-N 2.78Å
134T42.4Very low53.5Low117 Ų117105.1 Ų105.172%0.71867%0.671SS**  trans26.9121.7134.911.90000117.5S136T134-S136 PolarHBondContact O-N 2.69Å
135T51.4Low55.8Low153 Ų153106.4 Ų106.494%0.93966%0.657SS**  trans-5980.5163.853.30000110.5
136S53Low57.8Low74 Ų74103.9 Ų103.952%0.51764%0.643SS.*  trans-89137.7170.755.10000108.2T134 L138T134-S136 PolarHBondContact O-N 2.69Å; S136-L138 PolarHBondContact O-N 3.1Å
137N64.6Low60.2Low169 Ų169105.5 Ų105.590%0.90463%0.633SS**  trans-56.994.1165.7-82.3-70.3000108.1S139N137-S139 PolarHBondContact O-N 2.86Å
138L68.8Low62.3Low84 Ų84105.6 Ų105.644%0.4462%0.622SS.*  trans-64.4128.7-175.9-144.782.6000108.8S136 A142 K143S136-L138 PolarHBondContact O-N 3.1Å; L138-A142 HydrophobicContact CD1-CB 4.43Å; L138-A142 HydrophobicContact CD2-CB 3.5Å; L138-A142 HydrophobicContact CG-CB 3.55Å; L138-K143 HydrophobicContact CB-CG 4.22Å; L138-K143 HydrophobicContact CD2-CG 4.07Å; L138-K143 WeakPolarHBondContact O-CE 3.41Å
139S72.9Confident64.3Low74 Ų74102.3 Ų102.352%0.51761%0.607SS.*  trans-53.3145.5175174.80000110.3N137 S141 A142 K143N137-S139 PolarHBondContact O-N 2.86Å; S139-S141 PolarHBondContact O-N 3.16Å; S139-S141 VanDerWaalsContact O-N 3.09Å; S139-S141 PolarHBondContact OG-OG 3.19Å; S139-A142 WeakPolarHBondContact O-CA 3.44Å; S139-A142 WeakPolarHBondContact O-CB 3.46Å; S139-A142 PolarHBondContact O-N 3.29Å; S139-K143 PolarHBondContact O-N 3.35Å
140T77.8Confident66.1Low100 Ų100100.7 Ų100.761%0.61360%0.597SS**Hα-helixtrans-50.4-38.2177.8-500000111.5A142 K143 I144T140-A142 VanDerWaalsContact C-N 3.3Å; T140-A142 PolarHBondContact O-N 3.26Å; T140-K143 PolarHBondContact O-N 3.12Å; T140-I144 HydrophobicContact CG2-CD1 3.95Å; T140-I144 WeakPolarHBondContact O-CD1 3.49Å; T140-I144 VanDerWaalsContact O-CG1 3.22Å; T140-I144 WeakPolarHBondContact O-CG1 3.19Å; T140-I144 PolarHBondContact O-N 3.37Å
141S77.4Confident68Low58 Ų58101 Ų10141%0.40658%0.583SS.*Hα-helixtrans-65.9-27.6177.462.30000114.3S139 R145S139-S141 PolarHBondContact O-N 3.16Å; S139-S141 VanDerWaalsContact O-N 3.09Å; S139-S141 PolarHBondContact OG-OG 3.19Å; S141-R145 WeakPolarHBondContact O-CG 3.38Å; S141-R145 PolarHBondContact O-N 3.09Å; S141-R145 PolarHBondContact O-NE 3.13Å
142A82.6Confident70.1Confident26 Ų26104.2 Ų104.222%0.21558%0.579CS.*Hα-helixtrans-80.6-33.417700000111.5L138 S139 T140 A146L138-A142 HydrophobicContact CD1-CB 4.43Å; L138-A142 HydrophobicContact CD2-CB 3.5Å; L138-A142 HydrophobicContact CG-CB 3.55Å; S139-A142 WeakPolarHBondContact O-CA 3.44Å; S139-A142 WeakPolarHBondContact O-CB 3.46Å; S139-A142 PolarHBondContact O-N 3.29Å; T140-A142 VanDerWaalsContact C-N 3.3Å; T140-A142 PolarHBondContact O-N 3.26Å; A142-A146 WeakPolarHBondContact O-CB 3.38Å; A142-A146 PolarHBondContact O-N 3.47Å; A142-A146 VanDerWaalsContact O-N 3.13Å
143K80.9Confident71.5Confident115 Ų115106.4 Ų106.450%0.558%0.578SS.*Hα-helixtrans-66.6-42.9171.4-59.5-176.8-164.7176.40111.3L138 S139 T140 A146 I147L138-K143 HydrophobicContact CB-CG 4.22Å; L138-K143 HydrophobicContact CD2-CG 4.07Å; L138-K143 WeakPolarHBondContact O-CE 3.41Å; S139-K143 PolarHBondContact O-N 3.35Å; T140-K143 PolarHBondContact O-N 3.12Å; K143-A146 PolarHBondContact O-N 2.99Å; K143-I147 WeakPolarHBondContact O-CG1 3.22Å; K143-I147 PolarHBondContact O-N 3.16Å; K143-I147 VanDerWaalsContact O-N 3.16Å
144I84.4Confident72.6Confident82 Ų82106.7 Ų106.742%0.42158%0.578SS.*Hα-helixtrans-58.8-52177.6-68.7164.1000110T140 A146 I147 E148T140-I144 HydrophobicContact CG2-CD1 3.95Å; T140-I144 WeakPolarHBondContact O-CD1 3.49Å; T140-I144 VanDerWaalsContact O-CG1 3.22Å; T140-I144 WeakPolarHBondContact O-CG1 3.19Å; T140-I144 PolarHBondContact O-N 3.37Å; I144-A146 VanDerWaalsContact C-N 3.32Å; I144-A146 PolarHBondContact O-N 3.2Å; I144-I147 WeakPolarHBondContact O-CB 3.47Å; I144-I147 PolarHBondContact O-N 3.14Å; I144-I147 VanDerWaalsContact O-N 3.08Å; I144-E148 HydrophobicContact CG2-CG 4.29Å; I144-E148 WeakPolarHBondContact CG2-OE1 3.47Å; I144-E148 WeakPolarHBondContact O-CG 3.33Å; I144-E148 PolarHBondContact O-N 3.26Å
145R80.3Confident73.6Confident159 Ų159109 Ų10960%0.658%0.581SS**Hα-helixtrans-61-37.2179.4-78.2-176-70.3-168.81.5114S141 I147 E148 A149S141-R145 WeakPolarHBondContact O-CG 3.38Å; S141-R145 PolarHBondContact O-N 3.09Å; S141-R145 PolarHBondContact O-NE 3.13Å; R145-I147 VanDerWaalsContact C-N 3.29Å; R145-I147 PolarHBondContact O-N 3.4Å; R145-E148 PolarHBondContact O-N 3.27Å; R145-A149 WeakPolarHBondContact O-CB 3.31Å; R145-A149 PolarHBondContact O-N 3.08Å
146A82.3Confident74Confident62 Ų62109.6 Ų109.651%0.51257%0.573SS.*Hα-helixtrans-65-36.1177.100000112.1A142 K143 I144 K150A142-A146 WeakPolarHBondContact O-CB 3.38Å; A142-A146 PolarHBondContact O-N 3.47Å; A142-A146 VanDerWaalsContact O-N 3.13Å; K143-A146 PolarHBondContact O-N 2.99Å; I144-A146 VanDerWaalsContact C-N 3.32Å; I144-A146 PolarHBondContact O-N 3.2Å; A146-K150 PolarHBondContact O-N 3.31Å
147I80.9Confident74.3Confident107 Ų107112.9 Ų112.955%0.54959%0.585SS.*Hα-helixtrans-70.2-47175.4-68.4167.3000110.2K143 I144 R145 A149 K150 L151K143-I147 WeakPolarHBondContact O-CG1 3.22Å; K143-I147 PolarHBondContact O-N 3.16Å; K143-I147 VanDerWaalsContact O-N 3.16Å; I144-I147 WeakPolarHBondContact O-CB 3.47Å; I144-I147 PolarHBondContact O-N 3.14Å; I144-I147 VanDerWaalsContact O-N 3.08Å; R145-I147 VanDerWaalsContact C-N 3.29Å; R145-I147 PolarHBondContact O-N 3.4Å; I147-A149 PolarHBondContact O-N 3.47Å; I147-K150 PolarHBondContact O-N 2.94Å; I147-L151 HydrophobicContact CG2-CD1 3.66Å; I147-L151 PolarHBondContact O-N 3.44Å
148E80.2Confident74Confident108 Ų108110.8 Ų110.851%0.50558%0.581SS.*Hα-helixtrans-58-46.3178.2-71.2169.7165.400111.8I144 R145 K150 L151 Q152I144-E148 HydrophobicContact CG2-CG 4.29Å; I144-E148 WeakPolarHBondContact CG2-OE1 3.47Å; I144-E148 WeakPolarHBondContact O-CG 3.33Å; I144-E148 PolarHBondContact O-N 3.26Å; R145-E148 PolarHBondContact O-N 3.27Å; E148-K150 VanDerWaalsContact C-N 3.33Å; E148-K150 PolarHBondContact O-N 3.45Å; E148-L151 PolarHBondContact O-N 3.46Å; E148-Q152 WeakPolarHBondContact O-CB 3.42Å; E148-Q152 PolarHBondContact O-N 3.31Å
149A80.7Confident73.2Confident52 Ų52113.3 Ų113.343%0.4360%0.595SS.*Hα-helixtrans-61.8-39.7177.500000112.4R145 I147 Q152 M153R145-A149 WeakPolarHBondContact O-CB 3.31Å; R145-A149 PolarHBondContact O-N 3.08Å; I147-A149 PolarHBondContact O-N 3.47Å; A149-Q152 PolarHBondContact O-N 2.97Å; A149-M153 VanDerWaalsContact O-CG 3.31Å; A149-M153 WeakPolarHBondContact O-CG 3.41Å; A149-M153 PolarHBondContact O-N 2.93Å
150K76Confident72.1Confident146 Ų146116.7 Ų116.764%0.63561%0.607SS**Hα-helixtrans-67.6-40.9178.1-176.6170.7-178.4171.80112.3A146 I147 E148 M153 M154A146-K150 PolarHBondContact O-N 3.31Å; I147-K150 PolarHBondContact O-N 2.94Å; E148-K150 VanDerWaalsContact C-N 3.33Å; E148-K150 PolarHBondContact O-N 3.45Å; K150-M153 PolarHBondContact O-N 3.42Å; K150-M154 HydrophobicContact CG-SD 4.38Å; K150-M154 WeakPolarHBondContact O-CG 3.42Å; K150-M154 PolarHBondContact O-N 3.01Å
151L79.2Confident70.8Confident111 Ų111117.1 Ų117.158%0.58161%0.614SS**Hα-helixtrans-62.4-46.3174.8-94139.8000111.1I147 E148 M153 M154 E155I147-L151 HydrophobicContact CG2-CD1 3.66Å; I147-L151 PolarHBondContact O-N 3.44Å; E148-L151 PolarHBondContact O-N 3.46Å; L151-M153 VanDerWaalsContact C-N 3.31Å; L151-M153 PolarHBondContact O-N 3.39Å; L151-M154 PolarHBondContact O-N 3.2Å; L151-E155 PolarHBondContact O-N 2.93Å; L151-E155 VanDerWaalsContact O-N 3.07Å
152Q78.3Confident69.4Low142 Ų142124.2 Ų124.266%0.66463%0.634SS**Hα-helixtrans-61.2-39179.3-173.1165.3-0.900112.3E148 A149 M154 E155E148-Q152 WeakPolarHBondContact O-CB 3.42Å; E148-Q152 PolarHBondContact O-N 3.31Å; A149-Q152 PolarHBondContact O-N 2.97Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.24Å; Q152-E155 PolarHBondContact O-N 3.49Å
153M66.4Low68.1Low159 Ų159129 Ų12978%0.78367%0.665SS**Hα-helixtrans-68.8-23.1174.7-69.8-173.479.400113.8A149 K150 L151A149-M153 VanDerWaalsContact O-CG 3.31Å; A149-M153 WeakPolarHBondContact O-CG 3.41Å; A149-M153 PolarHBondContact O-N 2.93Å; K150-M153 PolarHBondContact O-N 3.42Å; L151-M153 VanDerWaalsContact C-N 3.31Å; L151-M153 PolarHBondContact O-N 3.39Å
154M64.6Low66.9Low142 Ų142125.3 Ų125.370%0.766%0.66SS**Hα-helixtrans-85.4-20.6175.4-70.8173.196.500112.5K150 L151 Q152 E156K150-M154 HydrophobicContact CG-SD 4.38Å; K150-M154 WeakPolarHBondContact O-CG 3.42Å; K150-M154 PolarHBondContact O-N 3.01Å; L151-M154 PolarHBondContact O-N 3.2Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.24Å; M154-E156 VanDerWaalsContact C-N 3.35Å
155E63.9Low65.2Low166 Ų166127.8 Ų127.878%0.77668%0.681SS**Hα-helixtrans-76.9-21.1-179.6-158.6170.1-172.200112.6L151 Q152 N157L151-E155 PolarHBondContact O-N 2.93Å; L151-E155 VanDerWaalsContact O-N 3.07Å; Q152-E155 PolarHBondContact O-N 3.49Å; E155-N157 PolarHBondContact O-N 3.06Å
156E58.8Low63.9Low165 Ų165124.8 Ų124.877%0.77168%0.684SS**SBendtrans-92.437.1-179.3-154.8-176.3116.500114.1M154M154-E156 VanDerWaalsContact C-N 3.35Å
157N58.8Low62.6Low143 Ų143126.5 Ų126.577%0.76570%0.699SS**  trans-15389.3166.8-103.2-45.7000112.6E155E155-N157 PolarHBondContact O-N 3.06Å
158P59.5Low61Low125 Ų125131.9 Ų131.981%0.81271%0.714SS**  trans-99.257.8176.339.1-32.8000111.9
159D50.8Low59.7Low137 Ų137132.7 Ų132.773%0.73373%0.726SS**  trans-171.4105.8155.6-146.9-0.2000110.6
160D49.2Very low58.2Low146 Ų146140.7 Ų140.778%0.78175%0.746SS**  trans-160.7114.6143.3-151.6-95.6000109.7Y162D160-Y162 PolarHBondContact O-N 3.37Å
161S52Low57.1Low109 Ų109141.6 Ų141.676%0.76276%0.758SS**  trans-68.994.6176.1-67.30000110.3S163S161-S163 PolarHBondContact O-N 3.31Å; S161-S163 VanDerWaalsContact O-N 3.09Å
162Y48.1Very low56.1Low207 Ų207145.3 Ų145.381%0.81277%0.77SS**  trans-78.495.6179.4-164.4-100.6000112.4D160 G164D160-Y162 PolarHBondContact O-N 3.37Å; Y162-G164 PolarHBondContact O-N 3.4Å
163S54.8Low54.8Low126 Ų126143.8 Ų143.888%0.88177%0.772SS**  trans-78.695.4164.6-174.50000109.6S161S161-S163 PolarHBondContact O-N 3.31Å; S161-S163 VanDerWaalsContact O-N 3.09Å
164G55.1Low54.3Low37 Ų37141.7 Ų141.738%0.38177%0.77SS.*  trans-124.1149176.300000112.4Y162Y162-G164 PolarHBondContact O-N 3.4Å
165P49.1Very low54Low135 Ų135144.3 Ų144.388%0.87778%0.781SS**  trans-66.2143.5-172.923.9-31.4000113.8
166S53.7Low53.5Low95 Ų95147.7 Ų147.766%0.66479%0.787SS**  trans-52.8136.6-172.8-178.60000114.7Y168S166-Y168 PolarHBondContact O-N 2.97Å
167A54.3Low53.3Low99 Ų99149.2 Ų149.282%0.81879%0.791SS**SBendtrans-64.412.6-17300000116.9
168Y48.4Very low52.8Low219 Ų219153.7 Ų153.786%0.85980%0.797SS**  trans-99.321.3-172.2-94.7-78.4000115.9S166S166-Y168 PolarHBondContact O-N 2.97Å
169V52.4Low52Low125 Ų125159.4 Ų159.476%0.75880%0.802SS**SBendtrans-109.4-4.5-176.5-179.90000114.2
170Y48.4Very low52.2Low220 Ų220161.5 Ų161.586%0.86381%0.808SS**SBendtrans-102.512.2-172.5-106.4-83.4000117.3
171N53.6Low52.1Low165 Ų165160.2 Ų160.288%0.88281%0.807SS**  trans-108.340.5175.6-76.227.5000113
172K57.7Low51.8Low189 Ų189164.6 Ų164.682%0.82281%0.809SS**  trans-102.3107164.2-140.5173.6-171.4-1790108.5
173P51.6Low52.2Low111 Ų111159.8 Ų159.872%0.72181%0.805SS**  trans-61.5137175.2-10.121.8000108.8E175P173-E175 PolarHBondContact O-N 3.22Å
174P56.1Low51.8Low114 Ų114162.2 Ų162.274%0.7480%0.8SS**  trans-64.4132.6173.625.6-31.3000109.4R176P174-R176 PolarHBondContact O-N 3Å
175E58.7Low51.4Low198 Ų198164.4 Ų164.493%0.92581%0.809SS**  trans-56106.1168.4-90.9-176.6118.200108.7P173 K177P173-E175 PolarHBondContact O-N 3.22Å; E175-K177 PolarHBondContact O-N 3.03Å; E175-K177 VanDerWaalsContact O-N 3.14Å
176R52.8Low51.2Low237 Ų237167.1 Ų167.189%0.89481%0.81SS**  trans-68.7112.9167.7-71.3-173.5174-163.5-1.8107.2P174 R178P174-R176 PolarHBondContact O-N 3Å; R176-R178 PolarHBondContact O-N 2.93Å
177K54.3Low51Low197 Ų197170.5 Ų170.586%0.85782%0.815SS**  trans-45.2111.5163.4-74.2-178.3177.8179.40108.2E175 W179E175-K177 PolarHBondContact O-N 3.03Å; E175-K177 VanDerWaalsContact O-N 3.14Å; K177-W179 PolarHBondContact O-N 3.4Å
178R48.9Very low50.8Low237 Ų237170.9 Ų170.989%0.89481%0.811SS**PPolyproline II helixtrans-53.8119.9172.4173.5174-102178.9-7.2107.1R176 E180R176-R178 PolarHBondContact O-N 2.93Å; R178-E180 PolarHBondContact O-N 3.01Å; R178-E180 VanDerWaalsContact O-N 3.13Å
179W42.6Very low50.7Low245 Ų245168 Ų16893%0.92881%0.811SS**PPolyproline II helixtrans-59.1116.2173.4-70.862.8000107.6K177K177-W179 PolarHBondContact O-N 3.4Å
180E53.7Low50.9Low181 Ų181170.4 Ų170.485%0.84681%0.814SS**PPolyproline II helixtrans-63.1128.6166.5-83171.586.200108R178 Y182R178-E180 PolarHBondContact O-N 3.01Å; R178-E180 VanDerWaalsContact O-N 3.13Å; E180-Y182 PolarHBondContact O-N 3.07Å
181P48.5Very low51.3Low118 Ų118164.9 Ų164.977%0.76681%0.807SS**PPolyproline II helixtrans-62.3136.2174.325.6-30.8000108.7S183P181-S183 PolarHBondContact O-N 3.35Å
182Y44.4Very low51.5Low202 Ų202168.1 Ų168.179%0.79281%0.807SS**  trans-48.3109.4170.9-177-96.3000109.4E180 K184E180-Y182 PolarHBondContact O-N 3.07Å; Y182-K184 HydrophobicContact CD1-CG 4.42Å; Y182-K184 PolarHBondContact O-N 3.13Å
183S57.2Low51.6Low106 Ų106165 Ų16574%0.74181%0.806SS**  trans-67.2104.8174.3510000107.8P181 S185P181-S183 PolarHBondContact O-N 3.35Å; S183-S185 PolarHBondContact O-N 3.18Å
184K47.4Very low51.6Low177 Ų177169.3 Ų169.377%0.7781%0.814SS**  trans-61106.3166.4-81.4-177.4175.7177.30107.6Y182 H186Y182-K184 HydrophobicContact CD1-CG 4.42Å; Y182-K184 PolarHBondContact O-N 3.13Å; K184-H186 PolarHBondContact O-N 2.96Å
185S45.7Very low51.8Low82 Ų82175.4 Ų175.457%0.57382%0.822SS**  trans-64.4116.2167.746.20000109S183 H187S183-S185 PolarHBondContact O-N 3.18Å; S185-H187 PolarHBondContact O-N 3.14Å
186H45.6Very low51.8Low193 Ų193175.5 Ų175.589%0.89482%0.819SS**  trans-60.198.3170.8-72.5-108.7000109.3K184K184-H186 PolarHBondContact O-N 2.96Å
187H48.6Very low51.9Low166 Ų166174.1 Ų174.177%0.76982%0.821SS**  trans-86.4114.7160.4-79.675.6000108.1S185S185-H187 PolarHBondContact O-N 3.14Å
188S51.1Low52.1Low107 Ų107176.1 Ų176.175%0.74882%0.823SS**  trans-51.5131.517843.40000111.6Q190S188-Q190 PolarHBondContact O-N 2.94Å
189N46.5Very low52.7Low159 Ų159180 Ų18085%0.8584%0.837SS**  trans-70.691.9170.4-162.311.9000108.1
190Q56.4Low53.2Low174 Ų174176.8 Ų176.881%0.81383%0.833SS**  trans-92.5100.3170.3-154.4171.951.500108.6S188 R192S188-Q190 PolarHBondContact O-N 2.94Å; Q190-R192 PolarHBondContact O-N 3.4Å; Q190-R192 VanDerWaalsContact O-N 3.14Å
191S55.9Low53.2Low104 Ų104176.6 Ų176.673%0.72783%0.832SS**  trans-43.6113171.1-57.20000111.6
192R58.3Low53.4Low233 Ų233179.8 Ų179.888%0.87984%0.836SS**PPolyproline II helixtrans-88.3121.6164.1-75.2-179.1150.4-147.7-4.5108.4Q190Q190-R192 PolarHBondContact O-N 3.4Å; Q190-R192 VanDerWaalsContact O-N 3.14Å
193P59.7Low54Low123 Ų123178.5 Ų178.580%0.79984%0.838SS**PPolyproline II helixtrans-70.1141178.928.1-32.3000110.7R195P193-R195 PolarHBondContact O-N 3.03Å
194F51.2Low53.8Low202 Ų202183.1 Ų183.189%0.88685%0.845SS**PPolyproline II helixtrans-55.1119.1172.1-78.9-94.7000110.9K196F194-K196 PolarHBondContact O-N 2.86Å
195R60.5Low54.2Low242 Ų242183.5 Ų183.591%0.91385%0.85SS**  trans-72.7106.4161.5-106.5-177.7180-169.80.1108P193 F197P193-R195 PolarHBondContact O-N 3.03Å; R195-F197 PolarHBondContact O-N 3.29Å
196K58.5Low54.8Low200 Ų200190.7 Ų190.787%0.8787%0.869SS**PPolyproline II helixtrans-61.7123.4167.3-66.6-176.9178.5-177.60108.8F194 R198F194-K196 PolarHBondContact O-N 2.86Å; K196-R198 PolarHBondContact O-N 3.09Å
197F54.7Low55.5Low209 Ų209190.5 Ų190.592%0.91787%0.867SS**PPolyproline II helixtrans-68.9123.2158.8-89.6-90.9000107.9R195R195-F197 PolarHBondContact O-N 3.29Å
198R58.7Low56.1Low239 Ų239192.6 Ų192.690%0.90288%0.876SS**PPolyproline II helixtrans-90.5143.1166.8-155.916690.9172.36.4107.6K196K196-R198 PolarHBondContact O-N 3.09Å
199R61.3Low56.5Low319 Ų319200.4 Ų200.4100%1.20489%0.887SS**  trans-38.90176.8-77.3178.3173.9160.5-3.8114.2

Retrieved 199 of 199 residues in 56.8 ms (Link to these results)