A0A096LRZ8_POEFO Loading...

Protein delta homolog 1

AlphaFold DB , UniProt , Accession A0A096LRZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 365 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
1M53.4Low58.3Low222 Ų222117 Ų117100%1.09463%0.628SS**  0-10.70-69.2173.671.500114.4
2H58.4Low58.2Low169 Ų169115.1 Ų115.178%0.78262%0.623SS**Hα-helixtrans-85.7-31.6-179.3-84.2-70.2000115.7V6H2-V6 WeakPolarHBondContact O-CG2 3.26Å; H2-V6 PolarHBondContact O-N 2.79Å
3L55.3Low58.1Low148 Ų148112.8 Ų112.878%0.77562%0.616SS**Hα-helixtrans-70.3-38.9-179.8-106.185.9000113.5G5 V6 V7L3-G5 VanDerWaalsContact C-N 3.33Å; L3-G5 PolarHBondContact O-N 3.34Å; L3-V6 PolarHBondContact O-N 3.31Å; L3-V7 WeakPolarHBondContact O-CG2 3.44Å; L3-V7 PolarHBondContact O-N 3.26Å; L3-V7 VanDerWaalsContact O-N 3.08Å
4I59.6Low57.7Low132 Ų132109.1 Ų109.168%0.67762%0.616SS**Hα-helixtrans-67.7-36.9-179-60.6170.8000110.4L8I4-L8 WeakPolarHBondContact O-CB 3.44Å; I4-L8 PolarHBondContact O-N 3.41Å
5G58.2Low57.6Low33 Ų33110.8 Ų110.834%0.3462%0.622SS.*Hα-helixtrans-66.8-39175.900000113.4L3 L8 I9L3-G5 VanDerWaalsContact C-N 3.33Å; L3-G5 PolarHBondContact O-N 3.34Å; G5-L8 PolarHBondContact O-N 2.84Å; G5-I9 WeakPolarHBondContact O-CD1 3.42Å; G5-I9 WeakPolarHBondContact O-CG1 3.38Å; G5-I9 PolarHBondContact O-N 3.18Å
6V62.7Low57.2Low82 Ų82109.1 Ų109.150%0.49763%0.626SS.*Hα-helixtrans-70.9-38.3177.8176.10000111.5H2 L3 I9 L10H2-V6 WeakPolarHBondContact O-CG2 3.26Å; H2-V6 PolarHBondContact O-N 2.79Å; L3-V6 PolarHBondContact O-N 3.31Å; V6-I9 PolarHBondContact O-N 3.13Å; V6-L10 HydrophobicContact CG1-CD1 4.08Å; V6-L10 HydrophobicContact CG1-CG 4.49Å; V6-L10 WeakPolarHBondContact O-CG 2.95Å; V6-L10 PolarHBondContact O-N 3.02Å
7V60.4Low57Low87 Ų87113.2 Ų113.253%0.52764%0.635SS.*Hα-helixtrans-65.4-41174.2173.90000110.9L3 I9 L10 V11L3-V7 WeakPolarHBondContact O-CG2 3.44Å; L3-V7 PolarHBondContact O-N 3.26Å; L3-V7 VanDerWaalsContact O-N 3.08Å; V7-I9 PolarHBondContact O-N 3.37Å; V7-L10 PolarHBondContact O-N 3.4Å; V7-V11 HydrophobicContact CG1-CG2 4.31Å; V7-V11 WeakPolarHBondContact O-CB 3.28Å; V7-V11 WeakPolarHBondContact O-CG2 3.34Å; V7-V11 PolarHBondContact O-N 3.07Å
8L59.6Low57.1Low114 Ų114110.6 Ų110.660%0.59764%0.637SS**Hα-helixtrans-64.1-40.2175.4-140.987.2000111.7I4 G5 V11 V12I4-L8 WeakPolarHBondContact O-CB 3.44Å; I4-L8 PolarHBondContact O-N 3.41Å; G5-L8 PolarHBondContact O-N 2.84Å; L8-V11 PolarHBondContact O-N 3.41Å; L8-V12 VanDerWaalsContact O-CB 3.28Å; L8-V12 WeakPolarHBondContact O-CB 3.44Å; L8-V12 WeakPolarHBondContact O-CG2 3.05Å; L8-V12 PolarHBondContact O-N 2.9Å
9I59.1Low57.7Low110 Ų110113 Ų11356%0.56464%0.635SS**Hα-helixtrans-68-40.8177.8-69.2164.8000111.3G5 V6 V7 V12 T13G5-I9 WeakPolarHBondContact O-CD1 3.42Å; G5-I9 WeakPolarHBondContact O-CG1 3.38Å; G5-I9 PolarHBondContact O-N 3.18Å; V6-I9 PolarHBondContact O-N 3.13Å; V7-I9 PolarHBondContact O-N 3.37Å; I9-V12 PolarHBondContact O-N 2.98Å; I9-T13 HydrophobicContact CG2-CG2 4.14Å; I9-T13 VanDerWaalsContact O-CB 3.27Å; I9-T13 WeakPolarHBondContact O-CB 3.43Å; I9-T13 VanDerWaalsContact O-CG2 3.23Å; I9-T13 WeakPolarHBondContact O-CG2 2.98Å; I9-T13 PolarHBondContact O-N 2.89Å; I9-T13 PolarHBondContact O-OG1 2.03Å
10L57.3Low58.6Low114 Ų114115.8 Ų115.860%0.59764%0.642SS**Hα-helixtrans-67.8-35.5176-71.7171.7000112.4V6 V7 T13 G14V6-L10 HydrophobicContact CG1-CD1 4.08Å; V6-L10 HydrophobicContact CG1-CG 4.49Å; V6-L10 WeakPolarHBondContact O-CG 2.95Å; V6-L10 PolarHBondContact O-N 3.02Å; V7-L10 PolarHBondContact O-N 3.4Å; L10-T13 WeakPolarHBondContact CA-OG1 3.42Å; L10-T13 PolarHBondContact O-OG1 2.86Å; L10-G14 PolarHBondContact O-N 3.24Å
11V57.8Low59.6Low76 Ų76112.8 Ų112.846%0.46163%0.629SS.*Hα-helixtrans-69.7-43.1174.3172.40000110.7V7 L8 G14 I15V7-V11 HydrophobicContact CG1-CG2 4.31Å; V7-V11 WeakPolarHBondContact O-CB 3.28Å; V7-V11 WeakPolarHBondContact O-CG2 3.34Å; V7-V11 PolarHBondContact O-N 3.07Å; L8-V11 PolarHBondContact O-N 3.41Å; V11-G14 PolarHBondContact O-N 2.02Å; V11-I15 HydrophobicContact CG1-CD1 3.55Å; V11-I15 WeakPolarHBondContact O-CB 3.41Å; V11-I15 VanDerWaalsContact O-CD1 3.22Å; V11-I15 WeakPolarHBondContact O-CD1 3Å; V11-I15 WeakPolarHBondContact O-CG1 3.03Å; V11-I15 PolarHBondContact O-N 2.04Å
12V57.3Low60.9Low94 Ų94103.9 Ų103.957%0.5759%0.588SS**Hα-helixtrans-72.4-35.9179.6174.50000112.2L8 I9L8-V12 VanDerWaalsContact O-CB 3.28Å; L8-V12 WeakPolarHBondContact O-CB 3.44Å; L8-V12 WeakPolarHBondContact O-CG2 3.05Å; L8-V12 PolarHBondContact O-N 2.9Å; I9-V12 PolarHBondContact O-N 2.98Å
13T56Low62.1Low85 Ų85101.3 Ų101.352%0.52160%0.597SS.*Hα-helixtrans-77.4-25.5175.854.70000113.1I9 L10I9-T13 HydrophobicContact CG2-CG2 4.14Å; I9-T13 VanDerWaalsContact O-CB 3.27Å; I9-T13 WeakPolarHBondContact O-CB 3.43Å; I9-T13 VanDerWaalsContact O-CG2 3.23Å; I9-T13 WeakPolarHBondContact O-CG2 2.98Å; I9-T13 PolarHBondContact O-N 2.89Å; I9-T13 PolarHBondContact O-OG1 2.03Å; L10-T13 WeakPolarHBondContact CA-OG1 3.42Å; L10-T13 PolarHBondContact O-OG1 2.86Å
14G53.1Low63.6Low61 Ų6197.2 Ų97.263%0.62958%0.584SS**Hα-helixtrans-79.5-25.5175.400000114.7L10 V11L10-G14 PolarHBondContact O-N 3.24Å; V11-G14 PolarHBondContact O-N 2.02Å
15I55.3Low65.1Low135 Ų13591.7 Ų91.769%0.69256%0.557SS**Hα-helixtrans-86.7-16.9-176.2-66.8167.5000112.8V11V11-I15 HydrophobicContact CG1-CD1 3.55Å; V11-I15 WeakPolarHBondContact O-CB 3.41Å; V11-I15 VanDerWaalsContact O-CD1 3.22Å; V11-I15 WeakPolarHBondContact O-CD1 3Å; V11-I15 WeakPolarHBondContact O-CG1 3.03Å; V11-I15 PolarHBondContact O-N 2.04Å
16A51.1Low66.7Low83 Ų8391.5 Ų91.569%0.68655%0.55SS**  trans-107.414-169.100000116.2G18A16-G18 PolarHBondContact O-N 3.47Å
17K54.6Low67.9Low179 Ų17993.4 Ų93.478%0.77857%0.568SS**  trans-90.293.7164.3-80.6-173.1176.5-176.20108.6W19K17-W19 PolarHBondContact O-N 3.07Å
18G58.3Low69.4Low66 Ų6696.1 Ų96.168%0.6857%0.574SS**PPolyproline II helixtrans-48.8138.4165.300000109.6A16 E20A16-G18 PolarHBondContact O-N 3.47Å; G18-E20 PolarHBondContact O-N 3.37Å
19W68.6Low71Confident157 Ų15791.6 Ų91.660%0.59555%0.551SS**PPolyproline II helixtrans-67126.2-176.8-62.3-22.3000110.4K17 C21 E33K17-W19 PolarHBondContact O-N 3.07Å; W19-C21 PolarHBondContact O-N 2.69Å; W19-E33 VanDerWaalsContact CE3-CA 3.41Å; W19-E33 VanDerWaalsContact CZ3-CA 3.48Å; W19-E33 HydrophobicContact CZ3-CB 4.22Å; W19-E33 WeakPolarHBondContact CZ3-O 3.34Å
20E75.4Confident72.5Confident168 Ų16886.7 Ų86.779%0.78553%0.528SS*.PPolyproline II helixtrans-70.6124.8178.1-74.5173.4-175.900110.1G18 G36G18-E20 PolarHBondContact O-N 3.37Å; E20-G36 PolarHBondContact O-N 2.8Å
21C79.9Confident74.1Confident54 Ų5485.2 Ų85.237%0.36552%0.517SS..PPolyproline II helixtrans-66.9164.7173.7-750000112.2W19 C25 C32W19-C21 PolarHBondContact O-N 2.69Å; C21-C25 HydrophobicContact CB-CB 3.81Å; C21-C32 WeakPolarHBondContact CA-SG 3.38Å; C21-C32 HydrophobicContact CB-CB 4.06Å; C21-C32 WeakPolarHBondContact CB-SG 3.02Å; C21-C32 WeakPolarHBondContact SG-CB 3.49Å; C21-C32 CovalentContact SG-SG 2.01Å; C21-C32 PolarHBondContact SG-SG 3.39Å
22S81.6Confident75.5Confident34 Ų3482.7 Ų82.724%0.23850%0.502CS..PPolyproline II helixtrans-56.5142.1162.657.10000109.4A24 C25S22-A24 PolarHBondContact O-N 3.32Å; S22-C25 VanDerWaalsContact O-CB 3.23Å; S22-C25 WeakPolarHBondContact O-CB 3.35Å; S22-C25 PolarHBondContact O-N 3.13Å
23A83.2Confident76.5Confident116 Ų11682.1 Ų82.196%0.95949%0.493SS*.THydrogen-bonded Turntrans-59.3-22.2-174.200000114
24A87.7Confident77.5Confident61 Ų6184.7 Ų84.750%0.50450%0.497SS..THydrogen-bonded Turntrans-95-2.7178.900000113.8S22 S26 N48S22-A24 PolarHBondContact O-N 3.32Å; A24-S26 PolarHBondContact O-N 2.94Å; A24-N48 WeakPolarHBondContact CB-ND2 3.24Å; A24-N48 WeakPolarHBondContact CB-OD1 3.36Å; A24-N48 WeakPolarHBondContact O-CB 3.26Å; A24-N48 VanDerWaalsContact O-CG 3.24Å; A24-N48 PolarHBondContact O-OD1 2.93Å
25C90.9Very high78.8Confident17 Ų1786.5 Ų86.512%0.11550%0.498CS..SBendtrans-66129.8178.6-172.20000110.9C21 S22 S27 C38C21-C25 HydrophobicContact CB-CB 3.81Å; S22-C25 VanDerWaalsContact O-CB 3.23Å; S22-C25 WeakPolarHBondContact O-CB 3.35Å; S22-C25 PolarHBondContact O-N 3.13Å; C25-S27 PolarHBondContact O-N 3.01Å; C25-C38 VanDerWaalsContact CA-SG 3.55Å; C25-C38 HydrophobicContact CB-CB 3.62Å; C25-C38 WeakPolarHBondContact CB-SG 3.39Å; C25-C38 WeakPolarHBondContact SG-CB 3.24Å; C25-C38 CovalentContact SG-SG 2.03Å; C25-C38 PolarHBondContact SG-SG 3.29Å
26S91.3Very high79.9Confident28 Ų2882.7 Ų82.720%0.19649%0.492CS..  trans-59.3121.9175.4175.20000110.6A24 E28 N29 G30 N48A24-S26 PolarHBondContact O-N 2.94Å; S26-E28 PolarHBondContact O-N 3.15Å; S26-E28 PolarHBondContact OG-N 3.06Å; S26-N29 WeakPolarHBondContact OG-CB 3.38Å; S26-N29 PolarHBondContact OG-N 3.28Å; S26-N29 VanDerWaalsContact OG-N 3.09Å; S26-G30 VanDerWaalsContact O-CA 3.28Å; S26-G30 WeakPolarHBondContact O-CA 3.38Å; S26-G30 PolarHBondContact O-N 3.02Å; S26-N48 WeakPolarHBondContact CB-O 3.41Å; S26-N48 PolarHBondContact N-O 3.46Å
27S88.4Confident81.4Confident123 Ų12385.7 Ų85.786%0.8649%0.489SS*.THydrogen-bonded Turntrans-69-22.5176.455.60000112.9C25C25-S27 PolarHBondContact O-N 3.01Å
28E91.4Very high83.1Confident143 Ų14378.1 Ų78.167%0.66846%0.459SS*.THydrogen-bonded Turntrans-89.8-39.9180-168178.4177.800111.6S26 K41S26-E28 PolarHBondContact O-N 3.15Å; S26-E28 PolarHBondContact OG-N 3.06Å; E28-K41 WeakPolarHBondContact O-CD 3.49Å; E28-K41 VanDerWaalsContact O-CE 3.31Å; E28-K41 WeakPolarHBondContact O-CE 3.22Å; E28-K41 PolarHBondContact O-NZ 3.35Å
29N93.2Very high84.7Confident19 Ų1981.1 Ų81.110%0.10245%0.449CS..THydrogen-bonded Turntrans-113.1-10-166.7-58.5-35.3000113.8S26 K41 W44 C49S26-N29 WeakPolarHBondContact OG-CB 3.38Å; S26-N29 PolarHBondContact OG-N 3.28Å; S26-N29 VanDerWaalsContact OG-N 3.09Å; N29-K41 VanDerWaalsContact O-CB 3.29Å; N29-K41 WeakPolarHBondContact O-CB 3.49Å; N29-K41 VanDerWaalsContact O-CG 3.31Å; N29-K41 WeakPolarHBondContact O-CG 3.36Å; N29-K41 PolarHBondContact O-N 3.39Å; N29-W44 HydrophobicContact CB-CB 4.3Å; N29-W44 HydrophobicContact CB-CD2 3.63Å; N29-W44 HydrophobicContact CB-CE3 4.11Å; N29-W44 HydrophobicContact CB-CG 3.68Å; N29-W44 VanDerWaalsContact CG-CD2 3.48Å; N29-W44 VanDerWaalsContact CG-CZ2 3.48Å; N29-W44 WeakPolarHBondContact ND2-CH2 3.18Å; N29-W44 WeakPolarHBondContact ND2-CZ2 3.34Å; N29-W44 VanDerWaalsContact ND2-CZ3 3.34Å; N29-W44 WeakPolarHBondContact ND2-CZ3 3.39Å; N29-W44 VanDerWaalsContact OD1-CE2 3.3Å; N29-W44 WeakPolarHBondContact OD1-CZ2 3.04Å; N29-W44 PolarHBondContact OD1-NE1 2.76Å; N29-C49 HydrophobicContact CB-CB 4.47Å; N29-C49 VanDerWaalsContact CB-O 3.23Å; N29-C49 WeakPolarHBondContact CB-O 3.43Å
30G91.3Very high85.9Confident8 Ų875.3 Ų75.38%0.08243%0.432CS..EExtended strand (participates in β ladder)trans-112.3163.6176.300000112.7S26 R39S26-G30 VanDerWaalsContact O-CA 3.28Å; S26-G30 WeakPolarHBondContact O-CA 3.38Å; S26-G30 PolarHBondContact O-N 3.02Å; G30-R39 CarbonylContact C-O 3.51Å; G30-R39 VanDerWaalsContact CA-O 3.32Å; G30-R39 WeakPolarHBondContact CA-O 3.33Å
31F90.2Very high86.8Confident83 Ų8371.7 Ų71.736%0.36441%0.414SS..EExtended strand (participates in β ladder)trans-150.4162167.168.8-80.5000110.2E33 R39 K41F31-E33 HydrophobicContact CD2-CG 4.09Å; F31-E33 HydrophobicContact CE2-CG 3.7Å; F31-E33 WeakPolarHBondContact CE2-OE1 3.14Å; F31-R39 WeakPolarHBondContact CD1-O 3.01Å; F31-R39 HydrophobicContact CE1-CB 4.33Å; F31-R39 HydrophobicContact CE1-CG 4.01Å; F31-R39 HydrophobicContact CZ-CB 4.4Å; F31-R39 HydrophobicContact CZ-CG 3.96Å; F31-R39 PolarHBondContact N-O 2.73Å; F31-R39 WeakPolarHBondContact O-CB 3.3Å; F31-R39 PolarHBondContact O-N 2.74Å; F31-K41 HydrophobicContact CD1-CG 4.24Å
32C87Confident87.5Confident23 Ų2374.5 Ų74.516%0.15543%0.432CS..  trans-123.6118.3-174.1-60.30000112.6C21 K37C21-C32 WeakPolarHBondContact CA-SG 3.38Å; C21-C32 HydrophobicContact CB-CB 4.06Å; C21-C32 WeakPolarHBondContact CB-SG 3.02Å; C21-C32 WeakPolarHBondContact SG-CB 3.49Å; C21-C32 CovalentContact SG-SG 2.01Å; C21-C32 PolarHBondContact SG-SG 3.39Å; C32-K37 PolarHBondContact SG-O 2.85Å
33E78.9Confident88.1Confident81 Ų8173 Ų7338%0.37942%0.421SS..SBendtrans-101.510.6171.1-64.2177.2-170.300112W19 F31 R39W19-E33 VanDerWaalsContact CE3-CA 3.41Å; W19-E33 VanDerWaalsContact CZ3-CA 3.48Å; W19-E33 HydrophobicContact CZ3-CB 4.22Å; W19-E33 WeakPolarHBondContact CZ3-O 3.34Å; F31-E33 HydrophobicContact CD2-CG 4.09Å; F31-E33 HydrophobicContact CE2-CG 3.7Å; F31-E33 WeakPolarHBondContact CE2-OE1 3.14Å; E33-R39 IonicContact OE1-CZ 3.07Å; E33-R39 IonicContact OE1-NE 2.65Å; E33-R39 PolarHBondContact OE1-NE 3.4Å; E33-R39 IonicContact OE1-NH1 3.19Å; E33-R39 IonicContact OE1-NH2 3.88Å; E33-R39 IonicContact OE2-CZ 3.58Å; E33-R39 IonicContact OE2-NE 3.29Å; E33-R39 PolarHBondContact OE2-NE 2.99Å; E33-R39 IonicContact OE2-NH2 3.94Å; E33-R39 PolarHBondContact OE2-NH2 2.8Å
34K76.6Confident88.8Confident140 Ų14069.9 Ų69.961%0.60939%0.385SS*.SBendtrans-160.8147.2171.2-99.6155.6-151.5-166.40107.5G36 K37K34-G36 PolarHBondContact O-N 2.93Å; K34-K37 HydrophobicContact CB-CB 4.36Å; K34-K37 PolarHBondContact O-N 3.38Å
35P80.4Confident89.1Confident98 Ų9871 Ų7164%0.63638%0.38SS*.THydrogen-bonded Turntrans-57.1131.8174.921.5-30000110.3K37P35-K37 VanDerWaalsContact C-N 3.3Å; P35-K37 PolarHBondContact O-N 3.49Å
36G77.8Confident89.2Confident55 Ų5571.5 Ų71.557%0.56739%0.388SS*.THydrogen-bonded Turntrans75.13.8176.800000116.6E20 K34E20-G36 PolarHBondContact O-N 2.8Å; K34-G36 PolarHBondContact O-N 2.93Å
37K83.6Confident89.1Confident147 Ų14778.6 Ų78.664%0.63942%0.418SS*.  trans-117.9116.1176.9-172171.7-176.61730111.8C32 K34 P35C32-K37 PolarHBondContact SG-O 2.85Å; K34-K37 HydrophobicContact CB-CB 4.36Å; K34-K37 PolarHBondContact O-N 3.38Å; P35-K37 VanDerWaalsContact C-N 3.3Å; P35-K37 PolarHBondContact O-N 3.49Å
38C89.8Confident89.4Confident20 Ų2075 Ų7514%0.13539%0.389CS..  trans-83132173.7-166.50000110.4C25 E47 C49C25-C38 VanDerWaalsContact CA-SG 3.55Å; C25-C38 HydrophobicContact CB-CB 3.62Å; C25-C38 WeakPolarHBondContact CB-SG 3.39Å; C25-C38 WeakPolarHBondContact SG-CB 3.24Å; C25-C38 CovalentContact SG-SG 2.03Å; C25-C38 PolarHBondContact SG-SG 3.29Å; C38-E47 WeakPolarHBondContact CB-O 3.38Å; C38-C49 PolarHBondContact SG-SG 3.24Å
39R91.3Very high89.5Confident129 Ų12968.2 Ų68.249%0.48736%0.357SS..EExtended strand (participates in β ladder)trans-119.9132.2173.6-177.2-168.1-81.8-118.114.3108.7G30 F31 E33 C49G30-R39 CarbonylContact C-O 3.51Å; G30-R39 VanDerWaalsContact CA-O 3.32Å; G30-R39 WeakPolarHBondContact CA-O 3.33Å; F31-R39 WeakPolarHBondContact CD1-O 3.01Å; F31-R39 HydrophobicContact CE1-CB 4.33Å; F31-R39 HydrophobicContact CE1-CG 4.01Å; F31-R39 HydrophobicContact CZ-CB 4.4Å; F31-R39 HydrophobicContact CZ-CG 3.96Å; F31-R39 PolarHBondContact N-O 2.73Å; F31-R39 WeakPolarHBondContact O-CB 3.3Å; F31-R39 PolarHBondContact O-N 2.74Å; E33-R39 IonicContact OE1-CZ 3.07Å; E33-R39 IonicContact OE1-NE 2.65Å; E33-R39 PolarHBondContact OE1-NE 3.4Å; E33-R39 IonicContact OE1-NH1 3.19Å; E33-R39 IonicContact OE1-NH2 3.88Å; E33-R39 IonicContact OE2-CZ 3.58Å; E33-R39 IonicContact OE2-NE 3.29Å; E33-R39 PolarHBondContact OE2-NE 2.99Å; E33-R39 IonicContact OE2-NH2 3.94Å; E33-R39 PolarHBondContact OE2-NH2 2.8Å; R39-C49 VanDerWaalsContact C-SG 3.55Å
40C94.3Very high89.5Confident35 Ų3572 Ų7224%0.23638%0.378CS..EExtended strand (participates in β ladder)trans-84.9143.1-173.6-50.80000112.7W44 G46 C49C40-W44 HydrophobicContact CB-CB 4.11Å; C40-W44 WeakPolarHBondContact CB-O 3.4Å; C40-G46 PolarHBondContact SG-O 2.83Å; C40-G46 VanDerWaalsContact SG-O 3.41Å; C40-C49 WeakPolarHBondContact CA-SG 3.27Å; C40-C49 HydrophobicContact CB-CB 3.65Å; C40-C49 WeakPolarHBondContact CB-SG 3.33Å; C40-C49 PolarHBondContact N-SG 3.02Å; C40-C49 WeakPolarHBondContact SG-CA 3.02Å; C40-C49 WeakPolarHBondContact SG-CB 3.33Å; C40-C49 CovalentContact SG-SG 2.04Å; C40-C49 PolarHBondContact SG-SG 3.14Å
41K94Very high89.7Confident91 Ų9178.6 Ų78.640%0.39640%0.4SS..PPolyproline II helixtrans-67.2157.6167-68.5-179.3-174.1175.30109.8E28 N29 F31 G43 W44E28-K41 WeakPolarHBondContact O-CD 3.49Å; E28-K41 VanDerWaalsContact O-CE 3.31Å; E28-K41 WeakPolarHBondContact O-CE 3.22Å; E28-K41 PolarHBondContact O-NZ 3.35Å; N29-K41 VanDerWaalsContact O-CB 3.29Å; N29-K41 WeakPolarHBondContact O-CB 3.49Å; N29-K41 VanDerWaalsContact O-CG 3.31Å; N29-K41 WeakPolarHBondContact O-CG 3.36Å; N29-K41 PolarHBondContact O-N 3.39Å; F31-K41 HydrophobicContact CD1-CG 4.24Å; K41-G43 PolarHBondContact O-N 2.94Å; K41-W44 PolarHBondContact O-N 2.74Å; K41-W44 VanDerWaalsContact O-N 3.14Å
42P95.3Very high90Very high114 Ų11475.5 Ų75.574%0.7439%0.388SS*.THydrogen-bonded Turntrans-53.6129.6178.8-26.335.2000112.3
43G94.6Very high90.4Very high2 Ų276.7 Ų76.72%0.02139%0.393CS..THydrogen-bonded Turntrans89.39.2-179.400000115K41 C52 I53 A66 W67K41-G43 PolarHBondContact O-N 2.94Å; G43-C52 WeakPolarHBondContact O-CA 3.39Å; G43-I53 PolarHBondContact O-N 3.43Å; G43-A66 WeakPolarHBondContact O-CA 3.29Å; G43-A66 VanDerWaalsContact O-CB 3.32Å; G43-A66 WeakPolarHBondContact O-CB 2.98Å; G43-W67 VanDerWaalsContact CA-CZ2 3.43Å; G43-W67 VanDerWaalsContact N-CZ2 3.29Å
44W96.2Very high91.2Very high50 Ų5075 Ų7519%0.18939%0.389CS..EExtended strand (participates in β ladder)trans-127.6148.9173-62.690.1000111.1N29 C40 K41 C49 R51 C52N29-W44 HydrophobicContact CB-CB 4.3Å; N29-W44 HydrophobicContact CB-CD2 3.63Å; N29-W44 HydrophobicContact CB-CE3 4.11Å; N29-W44 HydrophobicContact CB-CG 3.68Å; N29-W44 VanDerWaalsContact CG-CD2 3.48Å; N29-W44 VanDerWaalsContact CG-CZ2 3.48Å; N29-W44 WeakPolarHBondContact ND2-CH2 3.18Å; N29-W44 WeakPolarHBondContact ND2-CZ2 3.34Å; N29-W44 VanDerWaalsContact ND2-CZ3 3.34Å; N29-W44 WeakPolarHBondContact ND2-CZ3 3.39Å; N29-W44 VanDerWaalsContact OD1-CE2 3.3Å; N29-W44 WeakPolarHBondContact OD1-CZ2 3.04Å; N29-W44 PolarHBondContact OD1-NE1 2.76Å; C40-W44 HydrophobicContact CB-CB 4.11Å; C40-W44 WeakPolarHBondContact CB-O 3.4Å; K41-W44 PolarHBondContact O-N 2.74Å; K41-W44 VanDerWaalsContact O-N 3.14Å; W44-C49 HydrophobicContact CB-CB 4.5Å; W44-R51 CarbonylContact C-O 3.52Å; W44-R51 VanDerWaalsContact CA-O 3.31Å; W44-R51 WeakPolarHBondContact CA-O 3.31Å; W44-C52 HydrophobicContact CE3-CB 4.27Å; W44-C52 HydrophobicContact CH2-CB 4.44Å; W44-C52 HydrophobicContact CZ3-CB 4.12Å
45E94.9Very high92.2Very high86 Ų8673.2 Ų73.240%0.40238%0.381SS..EExtended strand (participates in β ladder)trans-143.9177.9-177.562.7163.5-140.500112C49 R51 I53E45-C49 WeakPolarHBondContact O-CA 3.46Å; E45-R51 HydrophobicContact CG-CB 4.01Å; E45-R51 PolarHBondContact N-O 2.8Å; E45-R51 PolarHBondContact O-N 3.29Å; E45-R51 IonicContact OE1-NE 3.57Å; E45-I53 HydrophobicContact CB-CD1 4.06Å; E45-I53 HydrophobicContact CB-CG1 3.76Å; E45-I53 HydrophobicContact CG-CG1 3.72Å
46G92.4Very high92.9Very high27 Ų2772.6 Ų72.628%0.27838%0.377SS..SBendtrans93.8169.3-17500000112.8C40 N48C40-G46 PolarHBondContact SG-O 2.83Å; C40-G46 VanDerWaalsContact SG-O 3.41Å; G46-N48 PolarHBondContact O-N 2.83Å
47E90.6Very high93.6Very high176 Ų17672.4 Ų72.482%0.82238%0.375SS*.SBendtrans-67.1-24.6-178.6-63.6-172.215200112.6C38C38-E47 WeakPolarHBondContact CB-O 3.38Å
48N92.7Very high94.2Very high48 Ų4866.6 Ų66.626%0.25735%0.353SS..SBendtrans-113.2-0.7-176.5-69.1-25.5000113.5A24 S26 G46 D50A24-N48 WeakPolarHBondContact CB-ND2 3.24Å; A24-N48 WeakPolarHBondContact CB-OD1 3.36Å; A24-N48 WeakPolarHBondContact O-CB 3.26Å; A24-N48 VanDerWaalsContact O-CG 3.24Å; A24-N48 PolarHBondContact O-OD1 2.93Å; S26-N48 WeakPolarHBondContact CB-O 3.41Å; S26-N48 PolarHBondContact N-O 3.46Å; G46-N48 PolarHBondContact O-N 2.83Å; N48-D50 PolarHBondContact O-N 3.43Å
49C93.9Very high94.4Very high0 Ų071 Ų710%037%0.374CS..SBendtrans58.433.4-178.4-48.40000113.9N29 C38 R39 C40 W44 E45N29-C49 HydrophobicContact CB-CB 4.47Å; N29-C49 VanDerWaalsContact CB-O 3.23Å; N29-C49 WeakPolarHBondContact CB-O 3.43Å; C38-C49 PolarHBondContact SG-SG 3.24Å; R39-C49 VanDerWaalsContact C-SG 3.55Å; C40-C49 WeakPolarHBondContact CA-SG 3.27Å; C40-C49 HydrophobicContact CB-CB 3.65Å; C40-C49 WeakPolarHBondContact CB-SG 3.33Å; C40-C49 PolarHBondContact N-SG 3.02Å; C40-C49 WeakPolarHBondContact SG-CA 3.02Å; C40-C49 WeakPolarHBondContact SG-CB 3.33Å; C40-C49 CovalentContact SG-SG 2.04Å; C40-C49 PolarHBondContact SG-SG 3.14Å; W44-C49 HydrophobicContact CB-CB 4.5Å; E45-C49 WeakPolarHBondContact O-CA 3.46Å
50D93.6Very high94.5Very high100 Ų10068.1 Ų68.154%0.53537%0.366SS..  trans-97.7-14.1-18057.4-25.1000112.7N48N48-D50 PolarHBondContact O-N 3.43Å
51R95.1Very high94.5Very high146 Ų14667.1 Ų67.155%0.55136%0.361SS*.EExtended strand (participates in β ladder)trans-98.7131.2174.8-67-165.6-61.2-119.6-0.7110.9W44 E45W44-R51 CarbonylContact C-O 3.52Å; W44-R51 VanDerWaalsContact CA-O 3.31Å; W44-R51 WeakPolarHBondContact CA-O 3.31Å; E45-R51 HydrophobicContact CG-CB 4.01Å; E45-R51 PolarHBondContact N-O 2.8Å; E45-R51 PolarHBondContact O-N 3.29Å; E45-R51 IonicContact OE1-NE 3.57Å
52C96.7Very high94.5Very high17 Ų1766.2 Ų66.212%0.11536%0.363CS..EExtended strand (participates in β ladder)trans-75.1154.4171.853.70000110.7G43 W44 C63G43-C52 WeakPolarHBondContact O-CA 3.39Å; W44-C52 HydrophobicContact CE3-CB 4.27Å; W44-C52 HydrophobicContact CH2-CB 4.44Å; W44-C52 HydrophobicContact CZ3-CB 4.12Å; C52-C63 HydrophobicContact CB-CB 3.98Å; C52-C63 WeakPolarHBondContact CB-SG 3Å; C52-C63 PolarHBondContact O-SG 3.31Å; C52-C63 WeakPolarHBondContact SG-CB 3.42Å; C52-C63 PolarHBondContact SG-O 3.38Å; C52-C63 CovalentContact SG-SG 2.03Å; C52-C63 PolarHBondContact SG-SG 3.25Å
53I96.2Very high94.5Very high49 Ų4962 Ų6225%0.25134%0.336SS..PPolyproline II helixtrans-96.3123.2168.4-57172.8000107G43 E45 W67G43-I53 PolarHBondContact O-N 3.43Å; E45-I53 HydrophobicContact CB-CD1 4.06Å; E45-I53 HydrophobicContact CB-CG1 3.76Å; E45-I53 HydrophobicContact CG-CG1 3.72Å; I53-W67 HydrophobicContact CB-CZ3 4.31Å; I53-W67 HydrophobicContact CG2-CE3 4.44Å; I53-W67 HydrophobicContact CG2-CH2 4.37Å; I53-W67 HydrophobicContact CG2-CZ3 3.84Å; I53-W67 PolarHBondContact O-N 3.08Å
54P96Very high94.5Very high46 Ų4668.7 Ų68.730%0.29937%0.367SS..PPolyproline II helixtrans-61162174.3-20.731.5000112.4C58 C63 Q68P54-C58 HydrophobicContact CB-CB 3.9Å; P54-C63 HydrophobicContact CB-CB 4.33Å; P54-C63 HydrophobicContact CG-CB 4.22Å; P54-Q68 VanDerWaalsContact CA-O 3.31Å; P54-Q68 WeakPolarHBondContact CA-O 3.47Å
55F96Very high94.4Very high101 Ų10173.3 Ų73.344%0.44339%0.389SS..PPolyproline II helixtrans-55.1136.3173.5-166.9-92.8000111G57 C58 W67 Q68 C69 L79F55-G57 PolarHBondContact O-N 2.02Å; F55-C58 WeakPolarHBondContact O-CB 3.47Å; F55-C58 PolarHBondContact O-N 3.25Å; F55-W67 WeakPolarHBondContact CB-O 3.05Å; F55-W67 HydrophobicContact CD2-CB 4.43Å; F55-W67 WeakPolarHBondContact CD2-O 3.46Å; F55-Q68 PolarHBondContact N-O 3.45Å; F55-Q68 VanDerWaalsContact N-O 3.17Å; F55-C69 HydrophobicContact CB-CB 4.13Å; F55-L79 HydrophobicContact CD1-CD2 3.37Å; F55-L79 HydrophobicContact CE1-CD2 3.74Å; F55-L79 HydrophobicContact CG-CD2 4.44Å
56P95.2Very high94.3Very high86 Ų8670.7 Ų70.756%0.55838%0.382SS*.THydrogen-bonded Turntrans-57.7123.2178.9-2535.1000111.6W67P56-W67 HydrophobicContact CG-CE3 4.31Å; P56-W67 HydrophobicContact CG-CZ3 3.95Å
57G93.1Very high94.4Very high50 Ų5074.9 Ų74.952%0.51539%0.389SS..THydrogen-bonded Turntrans94.43.1-174.700000114.8F55 L59F55-G57 PolarHBondContact O-N 2.02Å; G57-L59 PolarHBondContact O-N 2.04Å; G57-L59 VanDerWaalsContact O-N 3.14Å
58C96Very high94.7Very high26 Ų2669.7 Ų69.718%0.17637%0.365CS..  trans-62.6110169.4-170.80000110.3P54 F55 G61 C69 L79P54-C58 HydrophobicContact CB-CB 3.9Å; F55-C58 WeakPolarHBondContact O-CB 3.47Å; F55-C58 PolarHBondContact O-N 3.25Å; C58-G61 VanDerWaalsContact SG-CA 3.58Å; C58-C69 VanDerWaalsContact CA-SG 3.56Å; C58-C69 HydrophobicContact CB-CB 3.76Å; C58-C69 WeakPolarHBondContact CB-SG 3.01Å; C58-C69 WeakPolarHBondContact SG-CB 3.18Å; C58-C69 CovalentContact SG-SG 2.03Å; C58-C69 PolarHBondContact SG-SG 3.18Å; C58-L79 WeakPolarHBondContact CA-O 2.95Å
59L93.8Very high94.8Very high113 Ų11368.5 Ų68.559%0.59236%0.36SS*.SBendtrans-87.6-61.6-177.4-78.9120.2000111.8G57 L79 D81G57-L59 PolarHBondContact O-N 2.04Å; G57-L59 VanDerWaalsContact O-N 3.14Å; L59-L79 PolarHBondContact N-O 3.01Å; L59-L79 VanDerWaalsContact N-O 3.07Å; L59-D81 HydrophobicContact CD1-CB 3.71Å
60H93.4Very high94.9Very high68 Ų6870.8 Ų70.832%0.31537%0.374SS..SBendtrans-114.543.6-173.7-59.5-77.4000112.4K72 W75 C80H60-K72 WeakPolarHBondContact O-CB 3.07Å; H60-K72 WeakPolarHBondContact O-CG 3.03Å; H60-K72 PolarHBondContact O-N 3.02Å; H60-W75 HydrophobicContact CB-CB 4.05Å; H60-W75 HydrophobicContact CB-CD2 3.43Å; H60-W75 VanDerWaalsContact CB-CD2 3.43Å; H60-W75 HydrophobicContact CB-CE3 4.04Å; H60-W75 HydrophobicContact CB-CG 3.38Å; H60-W75 HydrophobicContact CB-CZ2 4.44Å; H60-W75 AromaticContact CD2-CD2 3.47Å; H60-W75 VanDerWaalsContact CD2-CD2 3.47Å; H60-W75 AromaticContact CD2-CE2 3.42Å; H60-W75 VanDerWaalsContact CD2-CE2 3.42Å; H60-W75 AromaticContact CD2-CE3 3.37Å; H60-W75 AromaticContact CD2-CH2 3.25Å; H60-W75 WeakPolarHBondContact CD2-CH2 3.37Å; H60-W75 AromaticContact CD2-CZ2 3.34Å; H60-W75 WeakPolarHBondContact CD2-CZ2 3.02Å; H60-W75 AromaticContact CD2-CZ3 3.27Å; H60-W75 WeakPolarHBondContact CD2-CZ3 3.39Å; H60-W75 AromaticContact CE1-CH2 4Å; H60-W75 AromaticContact CE1-CZ2 3.64Å; H60-W75 AromaticContact CG-CD2 3.47Å; H60-W75 VanDerWaalsContact CG-CD2 3.47Å; H60-W75 AromaticContact CG-CE2 3.31Å; H60-W75 AromaticContact CG-CE3 3.88Å; H60-W75 AromaticContact CG-CG 3.98Å; H60-W75 AromaticContact CG-CZ2 3.62Å; H60-W75 AromaticContact CG-NE1 3.69Å; H60-W75 AromaticContact ND1-CE2 3.75Å; H60-W75 AromaticContact ND1-CZ2 3.8Å; H60-W75 AromaticContact ND1-NE1 3.95Å; H60-W75 AromaticContact NE2-CE2 3.94Å; H60-W75 AromaticContact NE2-CH2 3.27Å; H60-W75 VanDerWaalsContact NE2-CH2 3.27Å; H60-W75 WeakPolarHBondContact NE2-CH2 3.3Å; H60-W75 AromaticContact NE2-CZ2 3.39Å; H60-W75 WeakPolarHBondContact NE2-CZ2 3.29Å; H60-W75 AromaticContact NE2-CZ3 3.75Å; H60-C80 HydrophobicContact CB-CB 4.32Å; H60-C80 WeakPolarHBondContact CB-O 3.31Å; H60-C80 PolarHBondContact CD2-O 3.2Å; H60-C80 PolarHBondContact N-O 2.85Å
61G94.1Very high94.9Very high13 Ų1368 Ų6813%0.13436%0.362CS..EExtended strand (participates in β ladder)trans-130.9172.9179.500000114.2C58 V70C58-G61 VanDerWaalsContact SG-CA 3.58Å; G61-V70 CarbonylContact C-O 3.47Å; G61-V70 WeakPolarHBondContact CA-O 3.07Å
62V95.6Very high94.6Very high72 Ų7266.6 Ų66.644%0.43636%0.359SS..EExtended strand (participates in β ladder)trans-127.2168.1171.8-62.10000109.1V70V62-V70 HydrophobicContact CG2-CB 4.38Å; V62-V70 PolarHBondContact N-O 3.06Å; V62-V70 WeakPolarHBondContact O-CB 3.13Å; V62-V70 PolarHBondContact O-N 3.34Å
63C95.3Very high94.1Very high25 Ų2575.3 Ų75.317%0.16940%0.399CS..  trans-117.7145.1175.2620000110.3C52 P54 Q68C52-C63 HydrophobicContact CB-CB 3.98Å; C52-C63 WeakPolarHBondContact CB-SG 3Å; C52-C63 PolarHBondContact O-SG 3.31Å; C52-C63 WeakPolarHBondContact SG-CB 3.42Å; C52-C63 PolarHBondContact SG-O 3.38Å; C52-C63 CovalentContact SG-SG 2.03Å; C52-C63 PolarHBondContact SG-SG 3.25Å; P54-C63 HydrophobicContact CB-CB 4.33Å; P54-C63 HydrophobicContact CG-CB 4.22Å; C63-Q68 HydrophobicContact CB-CB 4.44Å; C63-Q68 WeakPolarHBondContact CB-O 3.36Å
64E93.9Very high93.2Very high143 Ų14374 Ų7467%0.66840%0.397SS*.SBendtrans-107.3-30165.1-64.5-179.3174.300110.4
65K93.6Very high92.7Very high148 Ų14874.8 Ų74.864%0.64339%0.394SS*.SBendtrans-123.8156.1173.8-62.4179.5-178.4177.10110.2W67 Q68K65-W67 PolarHBondContact O-N 3.09Å; K65-Q68 VanDerWaalsContact O-CB 3.25Å; K65-Q68 WeakPolarHBondContact O-CB 3.24Å; K65-Q68 PolarHBondContact O-N 3.44Å; K65-Q68 VanDerWaalsContact O-N 3.14Å
66A94.3Very high92.1Very high31 Ų3173.2 Ų73.226%0.25639%0.393SS..THydrogen-bonded Turntrans-47.9132174.700000111.8G43 Q68G43-A66 WeakPolarHBondContact O-CA 3.29Å; G43-A66 VanDerWaalsContact O-CB 3.32Å; G43-A66 WeakPolarHBondContact O-CB 2.98Å; A66-Q68 PolarHBondContact O-N 3.41Å
67W94.5Very high91.5Very high115 Ų11570.6 Ų70.644%0.43638%0.382SS..THydrogen-bonded Turntrans63.118.1177.5-46.7116000115.7G43 I53 F55 P56 K65G43-W67 VanDerWaalsContact CA-CZ2 3.43Å; G43-W67 VanDerWaalsContact N-CZ2 3.29Å; I53-W67 HydrophobicContact CB-CZ3 4.31Å; I53-W67 HydrophobicContact CG2-CE3 4.44Å; I53-W67 HydrophobicContact CG2-CH2 4.37Å; I53-W67 HydrophobicContact CG2-CZ3 3.84Å; I53-W67 PolarHBondContact O-N 3.08Å; F55-W67 WeakPolarHBondContact CB-O 3.05Å; F55-W67 HydrophobicContact CD2-CB 4.43Å; F55-W67 WeakPolarHBondContact CD2-O 3.46Å; P56-W67 HydrophobicContact CG-CE3 4.31Å; P56-W67 HydrophobicContact CG-CZ3 3.95Å; K65-W67 PolarHBondContact O-N 3.09Å
68Q95.4Very high91.2Very high67 Ų6773.2 Ų73.231%0.31339%0.392SS..  trans-88.6151.6170.8-163.9177.7-400110.5P54 F55 C63 K65 A66 V70P54-Q68 VanDerWaalsContact CA-O 3.31Å; P54-Q68 WeakPolarHBondContact CA-O 3.47Å; F55-Q68 PolarHBondContact N-O 3.45Å; F55-Q68 VanDerWaalsContact N-O 3.17Å; C63-Q68 HydrophobicContact CB-CB 4.44Å; C63-Q68 WeakPolarHBondContact CB-O 3.36Å; K65-Q68 VanDerWaalsContact O-CB 3.25Å; K65-Q68 WeakPolarHBondContact O-CB 3.24Å; K65-Q68 PolarHBondContact O-N 3.44Å; K65-Q68 VanDerWaalsContact O-N 3.14Å; A66-Q68 PolarHBondContact O-N 3.41Å; Q68-V70 HydrophobicContact CG-CG2 3.83Å
69C96.3Very high91Very high22 Ų2274.4 Ų74.415%0.14940%0.396CS..  trans-131.3100.7167.3-174.40000107.6F55 C58 C80F55-C69 HydrophobicContact CB-CB 4.13Å; C58-C69 VanDerWaalsContact CA-SG 3.56Å; C58-C69 HydrophobicContact CB-CB 3.76Å; C58-C69 WeakPolarHBondContact CB-SG 3.01Å; C58-C69 WeakPolarHBondContact SG-CB 3.18Å; C58-C69 CovalentContact SG-SG 2.03Å; C58-C69 PolarHBondContact SG-SG 3.18Å; C69-C80 PolarHBondContact SG-SG 2.81Å
70V94.8Very high90.9Very high49 Ų4969 Ų6930%0.29737%0.368SS..EExtended strand (participates in β ladder)trans-95.1117.6175.6-177.20000107.7G61 V62 Q68G61-V70 CarbonylContact C-O 3.47Å; G61-V70 WeakPolarHBondContact CA-O 3.07Å; V62-V70 HydrophobicContact CG2-CB 4.38Å; V62-V70 PolarHBondContact N-O 3.06Å; V62-V70 WeakPolarHBondContact O-CB 3.13Å; V62-V70 PolarHBondContact O-N 3.34Å; Q68-V70 HydrophobicContact CG-CG2 3.83Å
71C93.3Very high90.6Very high41 Ų4169.5 Ų69.528%0.27737%0.373SS..EExtended strand (participates in β ladder)trans-70.5139.3-174.2-54.10000112.3W75 G77 C80C71-W75 HydrophobicContact CB-CB 4.11Å; C71-W75 WeakPolarHBondContact CB-O 3.18Å; C71-G77 PolarHBondContact SG-O 3.14Å; C71-G77 VanDerWaalsContact SG-O 3.36Å; C71-C80 WeakPolarHBondContact CA-SG 3.44Å; C71-C80 HydrophobicContact CB-CB 3.74Å; C71-C80 WeakPolarHBondContact CB-SG 3.48Å; C71-C80 PolarHBondContact N-SG 2.03Å; C71-C80 WeakPolarHBondContact SG-CA 3.37Å; C71-C80 WeakPolarHBondContact SG-CB 3.31Å; C71-C80 CovalentContact SG-SG 2.03Å; C71-C80 PolarHBondContact SG-SG 2.89Å
72K90Very high89.9Confident116 Ų11674.2 Ų74.250%0.50439%0.391SS..PPolyproline II helixtrans-68.8158.4169.2-65.3175.9-177.4176.20109.2H60 G74 W75H60-K72 WeakPolarHBondContact O-CB 3.07Å; H60-K72 WeakPolarHBondContact O-CG 3.03Å; H60-K72 PolarHBondContact O-N 3.02Å; K72-G74 PolarHBondContact O-N 2.78Å; K72-W75 PolarHBondContact O-N 3.19Å
73E85.8Confident89.1Confident201 Ų20172.3 Ų72.394%0.93938%0.379SS*.THydrogen-bonded Turntrans-50.7132.7174.2-168.4176.8-17100110.1
74G77.8Confident87.8Confident22 Ų2273.6 Ų73.623%0.22739%0.386CS..THydrogen-bonded Turntrans96.2-7.1-174.800000115.3K72 D83 T84K72-G74 PolarHBondContact O-N 2.78Å; G74-D83 CarbonylContact O-C 3.44Å; G74-D83 WeakPolarHBondContact O-CA 3.34Å; G74-D83 VanDerWaalsContact O-OD1 3.09Å; G74-T84 WeakPolarHBondContact CA-OG1 3.47Å; G74-T84 PolarHBondContact O-N 2.03Å; G74-T84 PolarHBondContact O-OG1 3.17Å
75W85.8Confident86.7Confident62 Ų6273.4 Ų73.424%0.23538%0.379CS..EExtended strand (participates in β ladder)trans-129.2145.5-175.9-64.284.8000113.3H60 C71 K72 C80 Q82 D83H60-W75 HydrophobicContact CB-CB 4.05Å; H60-W75 HydrophobicContact CB-CD2 3.43Å; H60-W75 VanDerWaalsContact CB-CD2 3.43Å; H60-W75 HydrophobicContact CB-CE3 4.04Å; H60-W75 HydrophobicContact CB-CG 3.38Å; H60-W75 HydrophobicContact CB-CZ2 4.44Å; H60-W75 AromaticContact CD2-CD2 3.47Å; H60-W75 VanDerWaalsContact CD2-CD2 3.47Å; H60-W75 AromaticContact CD2-CE2 3.42Å; H60-W75 VanDerWaalsContact CD2-CE2 3.42Å; H60-W75 AromaticContact CD2-CE3 3.37Å; H60-W75 AromaticContact CD2-CH2 3.25Å; H60-W75 WeakPolarHBondContact CD2-CH2 3.37Å; H60-W75 AromaticContact CD2-CZ2 3.34Å; H60-W75 WeakPolarHBondContact CD2-CZ2 3.02Å; H60-W75 AromaticContact CD2-CZ3 3.27Å; H60-W75 WeakPolarHBondContact CD2-CZ3 3.39Å; H60-W75 AromaticContact CE1-CH2 4Å; H60-W75 AromaticContact CE1-CZ2 3.64Å; H60-W75 AromaticContact CG-CD2 3.47Å; H60-W75 VanDerWaalsContact CG-CD2 3.47Å; H60-W75 AromaticContact CG-CE2 3.31Å; H60-W75 AromaticContact CG-CE3 3.88Å; H60-W75 AromaticContact CG-CG 3.98Å; H60-W75 AromaticContact CG-CZ2 3.62Å; H60-W75 AromaticContact CG-NE1 3.69Å; H60-W75 AromaticContact ND1-CE2 3.75Å; H60-W75 AromaticContact ND1-CZ2 3.8Å; H60-W75 AromaticContact ND1-NE1 3.95Å; H60-W75 AromaticContact NE2-CE2 3.94Å; H60-W75 AromaticContact NE2-CH2 3.27Å; H60-W75 VanDerWaalsContact NE2-CH2 3.27Å; H60-W75 WeakPolarHBondContact NE2-CH2 3.3Å; H60-W75 AromaticContact NE2-CZ2 3.39Å; H60-W75 WeakPolarHBondContact NE2-CZ2 3.29Å; H60-W75 AromaticContact NE2-CZ3 3.75Å; C71-W75 HydrophobicContact CB-CB 4.11Å; C71-W75 WeakPolarHBondContact CB-O 3.18Å; K72-W75 PolarHBondContact O-N 3.19Å; W75-C80 HydrophobicContact CB-CB 4.27Å; W75-Q82 CarbonylContact C-O 3.51Å; W75-Q82 WeakPolarHBondContact CA-O 3.01Å; W75-Q82 VanDerWaalsContact CE3-C 3.45Å; W75-D83 HydrophobicContact CE3-CB 4.32Å; W75-D83 HydrophobicContact CH2-CB 4.12Å; W75-D83 HydrophobicContact CZ2-CB 4.44Å; W75-D83 HydrophobicContact CZ3-CB 4.05Å
76V83.1Confident85.9Confident67 Ų6768.7 Ų68.741%0.40636%0.361SS..EExtended strand (participates in β ladder)trans-138.3176.5178.3-72.20000110.9C80 D81 Q82 T84V76-C80 WeakPolarHBondContact O-CA 3.41Å; V76-D81 PolarHBondContact O-N 3.27Å; V76-Q82 HydrophobicContact CG2-CB 3.93Å; V76-Q82 PolarHBondContact N-O 2.02Å; V76-Q82 WeakPolarHBondContact O-CB 3.27Å; V76-Q82 PolarHBondContact O-N 2.8Å; V76-T84 HydrophobicContact CB-CG2 4.18Å; V76-T84 HydrophobicContact CG1-CG2 3.44Å; V76-T84 VanDerWaalsContact CG1-CG2 3.44Å; V76-T84 HydrophobicContact CG2-CG2 3.88Å
77G81.6Confident85.3Confident32 Ų3268.4 Ų68.433%0.3336%0.357SS..SBendtrans94.9161.3-174.300000112.3C71 L79 C80C71-G77 PolarHBondContact SG-O 3.14Å; C71-G77 VanDerWaalsContact SG-O 3.36Å; G77-L79 PolarHBondContact O-N 2.8Å; G77-C80 PolarHBondContact O-N 3.38Å
78S86.9Confident84.6Confident104 Ų10465.8 Ų65.873%0.72736%0.356SS*.THydrogen-bonded Turntrans-66.4-18.9-178.551.40000113.7
79L91.9Very high83.7Confident51 Ų5166.7 Ų66.727%0.26737%0.37SS..THydrogen-bonded Turntrans-114.55.4179.1-59.7179.3000112.8F55 C58 L59 G77 D81F55-L79 HydrophobicContact CD1-CD2 3.37Å; F55-L79 HydrophobicContact CE1-CD2 3.74Å; F55-L79 HydrophobicContact CG-CD2 4.44Å; C58-L79 WeakPolarHBondContact CA-O 2.95Å; L59-L79 PolarHBondContact N-O 3.01Å; L59-L79 VanDerWaalsContact N-O 3.07Å; G77-L79 PolarHBondContact O-N 2.8Å; L79-D81 HydrophobicContact CB-CB 4.36Å; L79-D81 PolarHBondContact O-N 3.41Å
80C91.6Very high83.2Confident0 Ų074 Ų740%040%0.399CS..SBendtrans51.943.1-175.4-48.80000112.2H60 C69 C71 W75 V76 G77H60-C80 HydrophobicContact CB-CB 4.32Å; H60-C80 WeakPolarHBondContact CB-O 3.31Å; H60-C80 PolarHBondContact CD2-O 3.2Å; H60-C80 PolarHBondContact N-O 2.85Å; C69-C80 PolarHBondContact SG-SG 2.81Å; C71-C80 WeakPolarHBondContact CA-SG 3.44Å; C71-C80 HydrophobicContact CB-CB 3.74Å; C71-C80 WeakPolarHBondContact CB-SG 3.48Å; C71-C80 PolarHBondContact N-SG 2.03Å; C71-C80 WeakPolarHBondContact SG-CA 3.37Å; C71-C80 WeakPolarHBondContact SG-CB 3.31Å; C71-C80 CovalentContact SG-SG 2.03Å; C71-C80 PolarHBondContact SG-SG 2.89Å; W75-C80 HydrophobicContact CB-CB 4.27Å; V76-C80 WeakPolarHBondContact O-CA 3.41Å; G77-C80 PolarHBondContact O-N 3.38Å
81D87.3Confident82.7Confident78 Ų7873.1 Ų73.142%0.41739%0.394SS..  trans-102.3-6.5-176.761.3-41.1000112.6L59 V76 L79L59-D81 HydrophobicContact CD1-CB 3.71Å; V76-D81 PolarHBondContact O-N 3.27Å; L79-D81 HydrophobicContact CB-CB 4.36Å; L79-D81 PolarHBondContact O-N 3.41Å
82Q79.3Confident82.6Confident112 Ų11271.8 Ų71.852%0.52339%0.385SS..EExtended strand (participates in β ladder)trans-109.6121-179.9-59.617617.600110W75 V76W75-Q82 CarbonylContact C-O 3.51Å; W75-Q82 WeakPolarHBondContact CA-O 3.01Å; W75-Q82 VanDerWaalsContact CE3-C 3.45Å; V76-Q82 HydrophobicContact CG2-CB 3.93Å; V76-Q82 PolarHBondContact N-O 2.02Å; V76-Q82 WeakPolarHBondContact O-CB 3.27Å; V76-Q82 PolarHBondContact O-N 2.8Å
83D78.8Confident82.4Confident32 Ų3268.5 Ų68.517%0.17138%0.376CS..EExtended strand (participates in β ladder)trans-74.9130.6173.8-165.4-31.2000109G74 W75 R85 S88G74-D83 CarbonylContact O-C 3.44Å; G74-D83 WeakPolarHBondContact O-CA 3.34Å; G74-D83 VanDerWaalsContact O-OD1 3.09Å; W75-D83 HydrophobicContact CE3-CB 4.32Å; W75-D83 HydrophobicContact CH2-CB 4.12Å; W75-D83 HydrophobicContact CZ2-CB 4.44Å; W75-D83 HydrophobicContact CZ3-CB 4.05Å; D83-R85 PolarHBondContact O-N 3.26Å; D83-R85 VanDerWaalsContact OD1-CB 3.26Å; D83-R85 WeakPolarHBondContact OD1-CB 3.34Å; D83-R85 PolarHBondContact OD1-N 3.01Å; D83-R85 IonicContact OD1-NE 3.42Å; D83-R85 PolarHBondContact OD1-NE 2.94Å; D83-R85 IonicContact OD2-CZ 3.82Å; D83-R85 IonicContact OD2-NE 3.6Å; D83-R85 IonicContact OD2-NH2 3.13Å; D83-R85 PolarHBondContact OD2-NH2 2.79Å; D83-R85 VanDerWaalsContact OD2-NH2 3.13Å; D83-S88 WeakPolarHBondContact OD2-CB 3.18Å
84T68.5Low82.2Confident53 Ų5365.5 Ų65.533%0.32538%0.377SS..SBendtrans-70.6-13.9174.356.20000113.4G74 V76 L86G74-T84 WeakPolarHBondContact CA-OG1 3.47Å; G74-T84 PolarHBondContact O-N 2.03Å; G74-T84 PolarHBondContact O-OG1 3.17Å; V76-T84 HydrophobicContact CB-CG2 4.18Å; V76-T84 HydrophobicContact CG1-CG2 3.44Å; V76-T84 VanDerWaalsContact CG1-CG2 3.44Å; V76-T84 HydrophobicContact CG2-CG2 3.88Å; T84-L86 WeakPolarHBondContact O-CD1 3.32Å; T84-L86 PolarHBondContact O-N 3.08Å
85R71.5Confident82.6Confident138 Ų13868.3 Ų68.352%0.52139%0.387SS..SBendtrans-85.7100.4171.1-66.6178.2-62.5174.76.3108D83 C87 S88 E100D83-R85 PolarHBondContact O-N 3.26Å; D83-R85 VanDerWaalsContact OD1-CB 3.26Å; D83-R85 WeakPolarHBondContact OD1-CB 3.34Å; D83-R85 PolarHBondContact OD1-N 3.01Å; D83-R85 IonicContact OD1-NE 3.42Å; D83-R85 PolarHBondContact OD1-NE 2.94Å; D83-R85 IonicContact OD2-CZ 3.82Å; D83-R85 IonicContact OD2-NE 3.6Å; D83-R85 IonicContact OD2-NH2 3.13Å; D83-R85 PolarHBondContact OD2-NH2 2.79Å; D83-R85 VanDerWaalsContact OD2-NH2 3.13Å; R85-C87 PolarHBondContact O-N 3.29Å; R85-S88 WeakPolarHBondContact O-CB 3.28Å; R85-S88 PolarHBondContact O-N 3.21Å; R85-E100 VanDerWaalsContact CA-OE1 3.28Å; R85-E100 WeakPolarHBondContact CA-OE1 3.45Å; R85-E100 VanDerWaalsContact CB-OE1 3.26Å; R85-E100 WeakPolarHBondContact CB-OE1 3.16Å
86L76.3Confident82.7Confident49 Ų4966.2 Ų66.226%0.25738%0.383SS..G310 helixtrans-62.8-28.4-169.5-85.568.4000111.3T84 S88 S89 P91 E100 G104 Y106T84-L86 WeakPolarHBondContact O-CD1 3.32Å; T84-L86 PolarHBondContact O-N 3.08Å; L86-S88 VanDerWaalsContact C-N 3.34Å; L86-S88 PolarHBondContact O-N 3.23Å; L86-S89 PolarHBondContact O-N 3.24Å; L86-S89 PolarHBondContact O-OG 2.78Å; L86-P91 WeakPolarHBondContact O-CD 3.12Å; L86-P91 WeakPolarHBondContact O-CG 3.46Å; L86-E100 PolarHBondContact N-OE1 3.39Å; L86-E100 VanDerWaalsContact N-OE1 3.1Å; L86-E100 PolarHBondContact N-OE2 2.04Å; L86-G104 VanDerWaalsContact CD1-O 3.26Å; L86-G104 WeakPolarHBondContact CD1-O 3.36Å; L86-G104 WeakPolarHBondContact CD2-O 3.11Å; L86-Y106 HydrophobicContact CB-CD1 3.52Å; L86-Y106 HydrophobicContact CB-CE1 4.34Å; L86-Y106 HydrophobicContact CB-CG 3.96Å; L86-Y106 HydrophobicContact CD2-CD1 3.38Å; L86-Y106 HydrophobicContact CD2-CE1 3.81Å; L86-Y106 HydrophobicContact CG-CD1 4.03Å
87C82Confident83Confident25 Ų2567.3 Ų67.317%0.16939%0.39CS..G310 helixtrans-69.3-26.5175.2-69.40000114.2R85 S89 K90 C98 I99 E100R85-C87 PolarHBondContact O-N 3.29Å; C87-S89 PolarHBondContact O-N 3.32Å; C87-K90 PolarHBondContact O-N 3.04Å; C87-C98 WeakPolarHBondContact CA-SG 2.99Å; C87-C98 HydrophobicContact CB-CB 3.68Å; C87-C98 WeakPolarHBondContact CB-SG 3.34Å; C87-C98 WeakPolarHBondContact SG-CB 3.45Å; C87-C98 CovalentContact SG-SG 2.04Å; C87-C98 PolarHBondContact SG-SG 3.1Å; C87-I99 VanDerWaalsContact SG-C 3.51Å; C87-I99 PolarHBondContact SG-N 2.76Å; C87-I99 VanDerWaalsContact SG-N 3.41Å; C87-E100 WeakPolarHBondContact CA-OE1 3.45Å; C87-E100 HydrophobicContact CB-CG 4.24Å; C87-E100 WeakPolarHBondContact CB-OE1 3.01Å; C87-E100 PolarHBondContact N-OE1 2.81Å
88S78.5Confident83.4Confident60 Ų6067.6 Ų67.642%0.4239%0.386SS..G310 helixtrans-66.9-26177.5-58.40000112.1D83 R85 L86 K90D83-S88 WeakPolarHBondContact OD2-CB 3.18Å; R85-S88 WeakPolarHBondContact O-CB 3.28Å; R85-S88 PolarHBondContact O-N 3.21Å; L86-S88 VanDerWaalsContact C-N 3.34Å; L86-S88 PolarHBondContact O-N 3.23Å; S88-K90 PolarHBondContact O-N 3.33Å
89S77.8Confident83.3Confident86 Ų8666.6 Ų66.660%0.60137%0.372SS*.G310 helixtrans-74.1-1.1173.472.90000114L86 C87L86-S89 PolarHBondContact O-N 3.24Å; L86-S89 PolarHBondContact O-OG 2.78Å; C87-S89 PolarHBondContact O-N 3.32Å
90K84.1Confident83Confident176 Ų17667.8 Ų67.877%0.76538%0.376SS*.  trans52.155.6-178.2-57.9178.3-177.3177.20113.3C87 S88 C92C87-K90 PolarHBondContact O-N 3.04Å; S88-K90 PolarHBondContact O-N 3.33Å; K90-C92 VanDerWaalsContact C-N 3.26Å; K90-C92 PolarHBondContact O-N 2.87Å
91P86.1Confident82.3Confident30 Ų3075.2 Ų75.220%0.19540%0.404CS..  trans-69.4-26.318029.7-35.3000112.3L86 Y106 N118L86-P91 WeakPolarHBondContact O-CD 3.12Å; L86-P91 WeakPolarHBondContact O-CG 3.46Å; P91-Y106 HydrophobicContact CB-CD2 4.21Å; P91-Y106 HydrophobicContact CB-CE1 4.4Å; P91-Y106 HydrophobicContact CB-CE2 3.53Å; P91-Y106 HydrophobicContact CG-CD2 3.57Å; P91-Y106 HydrophobicContact CG-CE1 4.42Å; P91-Y106 HydrophobicContact CG-CE2 3.43Å; P91-Y106 VanDerWaalsContact CG-CE2 3.43Å; P91-Y106 HydrophobicContact CG-CG 4.15Å; P91-N118 WeakPolarHBondContact O-CB 3.48Å
92C89.3Confident81Confident14 Ų1474.8 Ų74.810%0.09542%0.418CS..SBendtrans-90.5148.2175.6-370000111K90 A96 C98 C108K90-C92 VanDerWaalsContact C-N 3.26Å; K90-C92 PolarHBondContact O-N 2.87Å; C92-A96 HydrophobicContact CB-CB 3.88Å; C92-C98 HydrophobicContact CB-CB 4.47Å; C92-C98 WeakPolarHBondContact SG-CB 3.26Å; C92-C108 HydrophobicContact CB-CB 3.85Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 VanDerWaalsContact SG-CA 3.51Å; C92-C108 WeakPolarHBondContact SG-CB 3.43Å; C92-C108 CovalentContact SG-SG 2.02Å; C92-C108 PolarHBondContact SG-SG 3.07Å
93P86.8Confident80.4Confident46 Ų4679.5 Ų79.530%0.29944%0.44SS..  trans-62.6157.2172.925.2-33.5000111.6N95 A96 N118 C119P93-N95 PolarHBondContact O-N 2.94Å; P93-A96 HydrophobicContact CG-CB 4.02Å; P93-A96 WeakPolarHBondContact O-CB 3.26Å; P93-A96 PolarHBondContact O-N 3.4Å; P93-N118 WeakPolarHBondContact CD-O 3.28Å; P93-C119 HydrophobicContact CG-CB 3.95Å
94S82Confident79.7Confident138 Ų13880.1 Ų80.197%0.96545%0.454SS*.THydrogen-bonded Turntrans-58.2-18.8-172.1-44.50000115.3
95N85.3Confident80Confident82 Ų8278.9 Ų78.944%0.43945%0.452SS..THydrogen-bonded Turntrans-961.3178.166.5-18.7000113.6P93 P111P93-N95 PolarHBondContact O-N 2.94Å; N95-P111 HydrophobicContact CB-CG 4.4Å; N95-P111 WeakPolarHBondContact O-CG 3.15Å
96A88.6Confident80.7Confident18 Ų1875 Ų7515%0.14944%0.438CS..SBendtrans-105.9155.2176.100000111.1C92 P93 C119C92-A96 HydrophobicContact CB-CB 3.88Å; P93-A96 HydrophobicContact CG-CB 4.02Å; P93-A96 WeakPolarHBondContact O-CB 3.26Å; P93-A96 PolarHBondContact O-N 3.4Å; A96-C119 HydrophobicContact CB-CB 4.2Å
97T89.6Confident81.2Confident90 Ų9076 Ų7655%0.55244%0.443SS*.EExtended strand (participates in β ladder)trans-98.7122.9177.2-54.70000109.6I99 V109T97-I99 HydrophobicContact CG2-CG1 4.38Å; T97-V109 PolarHBondContact N-O 3.22Å; T97-V109 VanDerWaalsContact N-O 3.14Å; T97-V109 PolarHBondContact O-N 3.11Å
98C89.1Confident81.7Confident38 Ų3875.3 Ų75.326%0.25744%0.438SS..EExtended strand (participates in β ladder)trans-93.3133.1173.7-166.30000110.7C87 C92C87-C98 WeakPolarHBondContact CA-SG 2.99Å; C87-C98 HydrophobicContact CB-CB 3.68Å; C87-C98 WeakPolarHBondContact CB-SG 3.34Å; C87-C98 WeakPolarHBondContact SG-CB 3.45Å; C87-C98 CovalentContact SG-SG 2.04Å; C87-C98 PolarHBondContact SG-SG 3.1Å; C92-C98 HydrophobicContact CB-CB 4.47Å; C92-C98 WeakPolarHBondContact SG-CB 3.26Å
99I86Confident82.3Confident82 Ų8275.8 Ų75.842%0.42144%0.439SS..EExtended strand (participates in β ladder)trans-124.1124.9177.8-53.2175.5000108.4C87 T97 Y106 L107 V109C87-I99 VanDerWaalsContact SG-C 3.51Å; C87-I99 PolarHBondContact SG-N 2.76Å; C87-I99 VanDerWaalsContact SG-N 3.41Å; T97-I99 HydrophobicContact CG2-CG1 4.38Å; I99-Y106 CarbonylContact O-C 3.44Å; I99-Y106 WeakPolarHBondContact O-CA 3.06Å; I99-L107 PolarHBondContact N-O 3.35Å; I99-L107 PolarHBondContact O-N 3.4Å; I99-V109 HydrophobicContact CD1-CG2 3.62Å; I99-V109 HydrophobicContact CG1-CG2 4.34Å
100E84.2Confident82.8Confident76 Ų7673.8 Ų73.836%0.35542%0.424SS..EExtended strand (participates in β ladder)trans-67135.7173.2-65.3-70.317300110.3R85 L86 C87R85-E100 VanDerWaalsContact CA-OE1 3.28Å; R85-E100 WeakPolarHBondContact CA-OE1 3.45Å; R85-E100 VanDerWaalsContact CB-OE1 3.26Å; R85-E100 WeakPolarHBondContact CB-OE1 3.16Å; L86-E100 PolarHBondContact N-OE1 3.39Å; L86-E100 VanDerWaalsContact N-OE1 3.1Å; L86-E100 PolarHBondContact N-OE2 2.04Å; C87-E100 WeakPolarHBondContact CA-OE1 3.45Å; C87-E100 HydrophobicContact CB-CG 4.24Å; C87-E100 WeakPolarHBondContact CB-OE1 3.01Å; C87-E100 PolarHBondContact N-OE1 2.81Å
101R77.7Confident82.8Confident156 Ų15667.2 Ų67.259%0.58940%0.399SS*.EExtended strand (participates in β ladder)trans-108.8146.6168.2-76.4-162.2173.3-1661.9109.6G105R101-G105 WeakPolarHBondContact CA-O 3.26Å; R101-G105 PolarHBondContact N-O 2.65Å; R101-G105 PolarHBondContact O-N 3.18Å
102G58.9Low82.5Confident70 Ų7075.2 Ų75.272%0.72243%0.434SS*.THydrogen-bonded Turntrans-56154.7171.700000111.6
103E66.9Low81.6Confident211 Ų21175.3 Ų75.399%0.98644%0.438SS*.THydrogen-bonded Turntrans75.415.8-174.3-51.9179.9163.400116
104G64.8Low81.4Confident45 Ų4576.6 Ų76.646%0.46444%0.437SS..THydrogen-bonded Turntrans78.629.2178.300000113.1L86L86-G104 VanDerWaalsContact CD1-O 3.26Å; L86-G104 WeakPolarHBondContact CD1-O 3.36Å; L86-G104 WeakPolarHBondContact CD2-O 3.11Å
105G74.5Confident81.3Confident27 Ų2771.2 Ų71.228%0.27840%0.401SS..EExtended strand (participates in β ladder)trans-101.8167.117100000111.9R101R101-G105 WeakPolarHBondContact CA-O 3.26Å; R101-G105 PolarHBondContact N-O 2.65Å; R101-G105 PolarHBondContact O-N 3.18Å
106Y86.8Confident81Confident55 Ų5568.8 Ų68.822%0.21640%0.395CS..EExtended strand (participates in β ladder)trans-138166.4170.168.7-75.3000110.4L86 P91 I99 N118L86-Y106 HydrophobicContact CB-CD1 3.52Å; L86-Y106 HydrophobicContact CB-CE1 4.34Å; L86-Y106 HydrophobicContact CB-CG 3.96Å; L86-Y106 HydrophobicContact CD2-CD1 3.38Å; L86-Y106 HydrophobicContact CD2-CE1 3.81Å; L86-Y106 HydrophobicContact CG-CD1 4.03Å; P91-Y106 HydrophobicContact CB-CD2 4.21Å; P91-Y106 HydrophobicContact CB-CE1 4.4Å; P91-Y106 HydrophobicContact CB-CE2 3.53Å; P91-Y106 HydrophobicContact CG-CD2 3.57Å; P91-Y106 HydrophobicContact CG-CE1 4.42Å; P91-Y106 HydrophobicContact CG-CE2 3.43Å; P91-Y106 VanDerWaalsContact CG-CE2 3.43Å; P91-Y106 HydrophobicContact CG-CG 4.15Å; I99-Y106 CarbonylContact O-C 3.44Å; I99-Y106 WeakPolarHBondContact O-CA 3.06Å; Y106-N118 WeakPolarHBondContact CE2-OD1 3.21Å; Y106-N118 VanDerWaalsContact CZ-OD1 3.3Å; Y106-N118 PolarHBondContact OH-ND2 3.34Å; Y106-N118 PolarHBondContact OH-OD1 3.43Å
107L86.3Confident80.8Confident72 Ų7275.1 Ų75.138%0.37742%0.422SS..EExtended strand (participates in β ladder)trans-134.5125173.7175.766.5000109.2I99I99-L107 PolarHBondContact N-O 3.35Å; I99-L107 PolarHBondContact O-N 3.4Å
108C91.9Very high80.7Confident9 Ų973 Ų736%0.06141%0.407CS..EExtended strand (participates in β ladder)trans-88.5121.4166.3-59.20000110.1C92 E117 C119C92-C108 HydrophobicContact CB-CB 3.85Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 VanDerWaalsContact SG-CA 3.51Å; C92-C108 WeakPolarHBondContact SG-CB 3.43Å; C92-C108 CovalentContact SG-SG 2.02Å; C92-C108 PolarHBondContact SG-SG 3.07Å; C108-E117 WeakPolarHBondContact CB-O 3.47Å; C108-C119 VanDerWaalsContact CB-SG 3.51Å
109V91.2Very high80.7Confident71 Ų7171.2 Ų71.243%0.4340%0.395SS..EExtended strand (participates in β ladder)trans-86.8109.9167-177.80000107.9T97 I99T97-V109 PolarHBondContact N-O 3.22Å; T97-V109 VanDerWaalsContact N-O 3.14Å; T97-V109 PolarHBondContact O-N 3.11Å; I99-V109 HydrophobicContact CD1-CG2 3.62Å; I99-V109 HydrophobicContact CG1-CG2 4.34Å
110C88.1Confident80.6Confident44 Ų4472.7 Ų72.730%0.29740%0.4SS..PPolyproline II helixtrans-78.7137.7-174-560000112.7Y114 C119C110-Y114 VanDerWaalsContact CB-O 3.29Å; C110-Y114 WeakPolarHBondContact CB-O 3.08Å; C110-C119 WeakPolarHBondContact CA-SG 3.46Å; C110-C119 HydrophobicContact CB-CB 3.73Å; C110-C119 WeakPolarHBondContact CB-SG 3.46Å; C110-C119 WeakPolarHBondContact SG-CA 3.38Å; C110-C119 WeakPolarHBondContact SG-CB 3.28Å; C110-C119 CovalentContact SG-SG 2.03Å; C110-C119 PolarHBondContact SG-SG 3.48Å
111P84.7Confident80.1Confident37 Ų3774.4 Ų74.424%0.2441%0.41CS..PPolyproline II helixtrans-68.3162.8170.929.5-33000110.7N95 G113 Y114N95-P111 HydrophobicContact CB-CG 4.4Å; N95-P111 WeakPolarHBondContact O-CG 3.15Å; P111-G113 PolarHBondContact O-N 2.82Å; P111-Y114 HydrophobicContact CG-CD2 3.83Å; P111-Y114 HydrophobicContact CG-CG 4.17Å; P111-Y114 PolarHBondContact O-N 2.58Å; P111-Y114 VanDerWaalsContact O-N 3.08Å
112Q78.9Confident79.8Confident198 Ų19872 Ų7293%0.92540%0.404SS*.THydrogen-bonded Turntrans-55131.9179.7-164-179.710.300111.1
113G72.4Confident80.1Confident17 Ų1772 Ų7218%0.17539%0.385CS..THydrogen-bonded Turntrans839.5-177.700000114.9P111 K122 Q123P111-G113 PolarHBondContact O-N 2.82Å; G113-K122 CarbonylContact O-C 3.42Å; G113-Q123 PolarHBondContact O-N 3.25Å
114Y80.6Confident79.8Confident72 Ų7269.4 Ų69.428%0.28237%0.366SS..EExtended strand (participates in β ladder)trans-126.1145.4173.5-70.1-98.4000111.4C110 P111 C119 M121 K122C110-Y114 VanDerWaalsContact CB-O 3.29Å; C110-Y114 WeakPolarHBondContact CB-O 3.08Å; P111-Y114 HydrophobicContact CG-CD2 3.83Å; P111-Y114 HydrophobicContact CG-CG 4.17Å; P111-Y114 PolarHBondContact O-N 2.58Å; P111-Y114 VanDerWaalsContact O-N 3.08Å; Y114-C119 WeakPolarHBondContact CD1-O 3.09Å; Y114-M121 CarbonylContact C-O 3.51Å; Y114-M121 VanDerWaalsContact CA-O 3.32Å; Y114-M121 WeakPolarHBondContact CA-O 3.39Å; Y114-K122 HydrophobicContact CE1-CB 4.46Å; Y114-K122 HydrophobicContact CE1-CG 4.43Å
115A80.1Confident79.7Confident25 Ų2571.2 Ų71.221%0.20736%0.364CS..EExtended strand (participates in β ladder)trans-147.6178.2-179.700000112.1C119 Q120 M121 Q123A115-C119 CarbonylContact O-C 3.57Å; A115-C119 VanDerWaalsContact O-C 3.32Å; A115-C119 VanDerWaalsContact O-CA 3.27Å; A115-C119 WeakPolarHBondContact O-CA 3.5Å; A115-Q120 PolarHBondContact O-N 3.35Å; A115-M121 PolarHBondContact N-O 3.42Å; A115-M121 VanDerWaalsContact O-CB 3.31Å; A115-M121 WeakPolarHBondContact O-CB 3.33Å; A115-M121 PolarHBondContact O-N 3.05Å; A115-Q123 HydrophobicContact CB-CG 3.57Å
116G79.6Confident79.4Confident31 Ų3171 Ų7132%0.3236%0.359SS..SBendtrans93.5165.4-172.600000111.9N118 C119G116-N118 VanDerWaalsContact C-N 3.26Å; G116-N118 PolarHBondContact O-N 2.99Å; G116-C119 PolarHBondContact O-N 3.17Å
117E84.6Confident78.3Confident151 Ų15174.8 Ų74.871%0.70638%0.382SS*.THydrogen-bonded Turntrans-55.5-42-175.5-172.9177.4-173.800112.5C108C108-E117 WeakPolarHBondContact CB-O 3.47Å
118N88.4Confident76.9Confident46 Ų4674.8 Ų74.825%0.24638%0.382CS..THydrogen-bonded Turntrans-104.421.4175.4-61.1-24.5000114.1P91 P93 Y106 G116 Q120P91-N118 WeakPolarHBondContact O-CB 3.48Å; P93-N118 WeakPolarHBondContact CD-O 3.28Å; Y106-N118 WeakPolarHBondContact CE2-OD1 3.21Å; Y106-N118 VanDerWaalsContact CZ-OD1 3.3Å; Y106-N118 PolarHBondContact OH-ND2 3.34Å; Y106-N118 PolarHBondContact OH-OD1 3.43Å; G116-N118 VanDerWaalsContact C-N 3.26Å; G116-N118 PolarHBondContact O-N 2.99Å; N118-Q120 VanDerWaalsContact CA-NE2 3.27Å; N118-Q120 VanDerWaalsContact CB-NE2 3.35Å; N118-Q120 PolarHBondContact O-N 3.38Å
119C88.3Confident75Confident1 Ų182.6 Ų82.61%0.00742%0.423CS..SBendtrans52.832.4-179.6-46.60000115.1P93 A96 C108 C110 Y114 A115 G116P93-C119 HydrophobicContact CG-CB 3.95Å; A96-C119 HydrophobicContact CB-CB 4.2Å; C108-C119 VanDerWaalsContact CB-SG 3.51Å; C110-C119 WeakPolarHBondContact CA-SG 3.46Å; C110-C119 HydrophobicContact CB-CB 3.73Å; C110-C119 WeakPolarHBondContact CB-SG 3.46Å; C110-C119 WeakPolarHBondContact SG-CA 3.38Å; C110-C119 WeakPolarHBondContact SG-CB 3.28Å; C110-C119 CovalentContact SG-SG 2.03Å; C110-C119 PolarHBondContact SG-SG 3.48Å; Y114-C119 WeakPolarHBondContact CD1-O 3.09Å; A115-C119 CarbonylContact O-C 3.57Å; A115-C119 VanDerWaalsContact O-C 3.32Å; A115-C119 VanDerWaalsContact O-CA 3.27Å; A115-C119 WeakPolarHBondContact O-CA 3.5Å; G116-C119 PolarHBondContact O-N 3.17Å
120Q82.9Confident73.5Confident112 Ų11281.4 Ų81.452%0.52343%0.425SS..  trans-88.4-19.4-173.772.8-75.2176.500112.1A115 N118A115-Q120 PolarHBondContact O-N 3.35Å; N118-Q120 VanDerWaalsContact CA-NE2 3.27Å; N118-Q120 VanDerWaalsContact CB-NE2 3.35Å; N118-Q120 PolarHBondContact O-N 3.38Å
121M75.6Confident72.8Confident113 Ų11382.1 Ų82.156%0.55743%0.431SS*.EExtended strand (participates in β ladder)trans-88.8114.2-179.5-54.3-179.8-177.900108.3Y114 A115 Q123Y114-M121 CarbonylContact C-O 3.51Å; Y114-M121 VanDerWaalsContact CA-O 3.32Å; Y114-M121 WeakPolarHBondContact CA-O 3.39Å; A115-M121 PolarHBondContact N-O 3.42Å; A115-M121 VanDerWaalsContact O-CB 3.31Å; A115-M121 WeakPolarHBondContact O-CB 3.33Å; A115-M121 PolarHBondContact O-N 3.05Å; M121-Q123 PolarHBondContact O-N 3.13Å
122K70.8Confident72.4Confident105 Ų10582.6 Ų82.646%0.45743%0.434SS..EExtended strand (participates in β ladder)trans-70.3114.4167.2-162.7178.1-172.9-173.40107.7G113 Y114 R124 G144 S145G113-K122 CarbonylContact O-C 3.42Å; Y114-K122 HydrophobicContact CE1-CB 4.46Å; Y114-K122 HydrophobicContact CE1-CG 4.43Å; K122-R124 PolarHBondContact O-N 3.3Å; K122-G144 PolarHBondContact NZ-O 2.03Å; K122-G144 VanDerWaalsContact NZ-O 3.11Å; K122-S145 VanDerWaalsContact NZ-CA 3.35Å; K122-S145 PolarHBondContact NZ-O 3.21Å
123Q63.8Low72.6Confident69 Ų6973.8 Ų73.832%0.32239%0.394SS..  trans-65.1121.3176.6-84.8-175-41.800109.2G113 A115 M121 L125 L128G113-Q123 PolarHBondContact O-N 3.25Å; A115-Q123 HydrophobicContact CB-CG 3.57Å; M121-Q123 PolarHBondContact O-N 3.13Å; Q123-L125 PolarHBondContact O-N 2.78Å; Q123-L128 HydrophobicContact CB-CD1 3.51Å; Q123-L128 HydrophobicContact CG-CD1 3.48Å; Q123-L128 VanDerWaalsContact CG-CD1 3.48Å; Q123-L128 VanDerWaalsContact NE2-CD1 3.33Å; Q123-L128 VanDerWaalsContact NE2-CD2 3.33Å
124R62Low73.2Confident158 Ų15878 Ų7860%0.59641%0.409SS*.  trans-79.3108.9169.5-75.5-171.2177.6-169.31.5107.9K122 C126 L127 E141K122-R124 PolarHBondContact O-N 3.3Å; R124-C126 PolarHBondContact O-N 3.04Å; R124-L127 HydrophobicContact CB-CB 4.3Å; R124-L127 HydrophobicContact CB-CD1 3.79Å; R124-L127 HydrophobicContact CB-CG 4.35Å; R124-L127 HydrophobicContact CG-CD1 4.37Å; R124-L127 PolarHBondContact O-N 2.85Å; R124-E141 WeakPolarHBondContact CA-OE1 3.34Å; R124-E141 WeakPolarHBondContact CA-OE2 3.25Å; R124-E141 HydrophobicContact CB-CG 4.42Å; R124-E141 VanDerWaalsContact CB-OE1 3.28Å; R124-E141 WeakPolarHBondContact CB-OE1 3.27Å; R124-E141 HydrophobicContact CG-CG 4.4Å
125L63.1Low73.3Confident82 Ų8278.4 Ų78.443%0.42942%0.416SS..G310 helixtrans-60.7-26.7-173.6-92.278.8000112.3Q123 L127 E141 P149Q123-L125 PolarHBondContact O-N 2.78Å; L125-L127 VanDerWaalsContact C-N 3.26Å; L125-L127 PolarHBondContact O-N 3.14Å; L125-E141 PolarHBondContact N-OE1 2.99Å; L125-E141 VanDerWaalsContact N-OE1 3.09Å; L125-P149 HydrophobicContact CB-CB 4.07Å; L125-P149 HydrophobicContact CB-CG 3.85Å; L125-P149 HydrophobicContact CD2-CG 3.58Å; L125-P149 HydrophobicContact CG-CG 4.31Å
126C67.1Low73.4Confident24 Ų2480.5 Ų80.516%0.16244%0.44CS..G310 helixtrans-72.5-15.3176.8-59.30000113.9R124 C139 E141R124-C126 PolarHBondContact O-N 3.04Å; C126-C139 WeakPolarHBondContact CA-SG 3.22Å; C126-C139 HydrophobicContact CB-CB 3.67Å; C126-C139 WeakPolarHBondContact CB-SG 3.27Å; C126-C139 VanDerWaalsContact SG-C 3.51Å; C126-C139 WeakPolarHBondContact SG-CB 3.41Å; C126-C139 CovalentContact SG-SG 2.03Å; C126-C139 PolarHBondContact SG-SG 2.94Å; C126-E141 HydrophobicContact CB-CG 4.3Å; C126-E141 WeakPolarHBondContact CB-OE1 3.02Å; C126-E141 PolarHBondContact N-OE1 3.11Å; C126-E141 PolarHBondContact SG-OE1 3Å
127L63.6Low73.6Confident133 Ų13379.4 Ų79.470%0.69643%0.429SS*.G310 helixtrans-105.6-6.9-174.8-72.3163.8000113.5R124 L125R124-L127 HydrophobicContact CB-CB 4.3Å; R124-L127 HydrophobicContact CB-CD1 3.79Å; R124-L127 HydrophobicContact CB-CG 4.35Å; R124-L127 HydrophobicContact CG-CD1 4.37Å; R124-L127 PolarHBondContact O-N 2.85Å; L125-L127 VanDerWaalsContact C-N 3.26Å; L125-L127 PolarHBondContact O-N 3.14Å
128L57.5Low73.6Confident73 Ų7376.4 Ų76.438%0.38242%0.421SS..SBendtrans-93.2112.2178.7-89.4133.6000111.2Q123 G130Q123-L128 HydrophobicContact CB-CD1 3.51Å; Q123-L128 HydrophobicContact CG-CD1 3.48Å; Q123-L128 VanDerWaalsContact CG-CD1 3.48Å; Q123-L128 VanDerWaalsContact NE2-CD1 3.33Å; Q123-L128 VanDerWaalsContact NE2-CD2 3.33Å; L128-G130 PolarHBondContact O-N 3.33Å
129N51.2Low73.4Confident172 Ų17275.3 Ų75.392%0.9242%0.416SS*.SBendtrans62.119.5170.9-65.4-25000116.7
130G60.9Low72.8Confident47 Ų4777.6 Ų77.649%0.48543%0.43SS..SBendtrans106.7158.9-177.500000111.7L128L128-G130 PolarHBondContact O-N 3.33Å
131S71.8Confident72.1Confident58 Ų5875.9 Ų75.941%0.40642%0.423SS..  trans-55.3128.6176.4175.80000110C133 C139S131-C133 PolarHBondContact O-N 3.39Å; S131-C133 WeakPolarHBondContact OG-CB 3Å; S131-C133 PolarHBondContact OG-N 3.06Å; S131-C139 WeakPolarHBondContact OG-CB 3.47Å
132P77.4Confident71.4Confident47 Ų4772 Ų7231%0.30541%0.408SS..SBendtrans-65.5-12.6172.627.9-35.3000112.7C139 L161P132-C139 VanDerWaalsContact CD-SG 3.59Å; P132-L161 HydrophobicContact CB-CD2 4.26Å
133C82.5Confident70.5Confident13 Ų1373.3 Ų73.39%0.08843%0.431CS..  trans-78.9130.4-179.9-47.50000111.6S131 G137 C139 C151S131-C133 PolarHBondContact O-N 3.39Å; S131-C133 WeakPolarHBondContact OG-CB 3Å; S131-C133 PolarHBondContact OG-N 3.06Å; C133-G137 VanDerWaalsContact CB-O 3.31Å; C133-G137 WeakPolarHBondContact CB-O 3.1Å; C133-C139 WeakPolarHBondContact SG-CA 3.44Å; C133-C139 VanDerWaalsContact SG-CB 3.53Å; C133-C151 WeakPolarHBondContact CA-SG 3.25Å; C133-C151 HydrophobicContact CB-CB 3.68Å; C133-C151 WeakPolarHBondContact CB-SG 3.38Å; C133-C151 WeakPolarHBondContact SG-CA 3.43Å; C133-C151 WeakPolarHBondContact SG-CB 3.39Å; C133-C151 CovalentContact SG-SG 2.02Å; C133-C151 PolarHBondContact SG-SG 3Å
134Q84.3Confident69.8Low106 Ų10672 Ų7250%0.49544%0.435SS..  trans-89.4173.4177.3-59.4-167.323.600111.7G136 G137 L161Q134-G136 PolarHBondContact O-N 2.94Å; Q134-G137 PolarHBondContact O-N 2.95Å; Q134-L161 PolarHBondContact N-O 2.95Å
135N84.6Confident69Low81 Ų8169.7 Ų69.743%0.43344%0.443SS..THydrogen-bonded Turntrans53.229.5173-59.8-54.5000115.2P154 F157 C162N135-P154 VanDerWaalsContact O-CG 3.27Å; N135-P154 WeakPolarHBondContact O-CG 3.33Å; N135-F157 HydrophobicContact CB-CD1 3.69Å; N135-F157 HydrophobicContact CB-CD2 4.11Å; N135-F157 HydrophobicContact CB-CE1 3.64Å; N135-F157 HydrophobicContact CB-CE2 4.07Å; N135-F157 HydrophobicContact CB-CG 3.92Å; N135-F157 HydrophobicContact CB-CZ 3.83Å; N135-F157 WeakPolarHBondContact ND2-CD1 3.48Å; N135-F157 WeakPolarHBondContact ND2-CE1 3.33Å; N135-C162 PolarHBondContact ND2-O 2.83Å
136G80.6Confident68.1Low68 Ų6870.4 Ų70.470%0.70146%0.461SS*.THydrogen-bonded Turntrans80.317.1-179.200000114.5Q134Q134-G136 PolarHBondContact O-N 2.94Å
137G85.2Confident67.2Low9 Ų972 Ų729%0.09348%0.476CS..PPolyproline II helixtrans-63.5141.3173.500000113C133 Q134 L152C133-G137 VanDerWaalsContact CB-O 3.31Å; C133-G137 WeakPolarHBondContact CB-O 3.1Å; Q134-G137 PolarHBondContact O-N 2.95Å; G137-L152 VanDerWaalsContact CA-O 3.3Å; G137-L152 WeakPolarHBondContact CA-O 3.44Å
138T84.4Confident66.8Low87 Ų8772.5 Ų72.553%0.53448%0.479SS..EExtended strand (participates in β ladder)trans-88.6116.4177.2-56.90000109.2V140 L152T138-V140 HydrophobicContact CG2-CG1 4.38Å; T138-V140 PolarHBondContact O-N 3.32Å; T138-L152 PolarHBondContact N-O 3.34Å; T138-L152 PolarHBondContact O-N 2.96Å
139C82.7Confident66.8Low23 Ų2370.3 Ų70.316%0.15547%0.47CS..EExtended strand (participates in β ladder)trans-72.6124.9173.3-168.60000109.8C126 S131 P132 C133C126-C139 WeakPolarHBondContact CA-SG 3.22Å; C126-C139 HydrophobicContact CB-CB 3.67Å; C126-C139 WeakPolarHBondContact CB-SG 3.27Å; C126-C139 VanDerWaalsContact SG-C 3.51Å; C126-C139 WeakPolarHBondContact SG-CB 3.41Å; C126-C139 CovalentContact SG-SG 2.03Å; C126-C139 PolarHBondContact SG-SG 2.94Å; S131-C139 WeakPolarHBondContact OG-CB 3.47Å; P132-C139 VanDerWaalsContact CD-SG 3.59Å; C133-C139 WeakPolarHBondContact SG-CA 3.44Å; C133-C139 VanDerWaalsContact SG-CB 3.53Å
140V77.7Confident67.8Low49 Ų4964.9 Ų64.930%0.29745%0.445SS..EExtended strand (participates in β ladder)trans-115.5128171.6-60.70000109.2T138 A142 S150 L152T138-V140 HydrophobicContact CG2-CG1 4.38Å; T138-V140 PolarHBondContact O-N 3.32Å; V140-A142 PolarHBondContact O-N 3.25Å; V140-S150 VanDerWaalsContact CG2-O 3.24Å; V140-S150 WeakPolarHBondContact CG2-O 3.04Å; V140-S150 WeakPolarHBondContact CG2-OG 3.1Å; V140-S150 PolarHBondContact N-O 2.82Å; V140-S150 PolarHBondContact O-N 2.84Å; V140-L152 HydrophobicContact CG1-CD1 3.66Å; V140-L152 HydrophobicContact CG1-CG 4.07Å; V140-L152 HydrophobicContact CG2-CG 4.21Å
141E66.6Low68.8Low77 Ų7763.5 Ų63.536%0.3643%0.428SS..  trans-66.4119.8173.7-69.3-71.5149.100108.3R124 L125 C126 S143R124-E141 WeakPolarHBondContact CA-OE1 3.34Å; R124-E141 WeakPolarHBondContact CA-OE2 3.25Å; R124-E141 HydrophobicContact CB-CG 4.42Å; R124-E141 VanDerWaalsContact CB-OE1 3.28Å; R124-E141 WeakPolarHBondContact CB-OE1 3.27Å; R124-E141 HydrophobicContact CG-CG 4.4Å; L125-E141 PolarHBondContact N-OE1 2.99Å; L125-E141 VanDerWaalsContact N-OE1 3.09Å; C126-E141 HydrophobicContact CB-CG 4.3Å; C126-E141 WeakPolarHBondContact CB-OE1 3.02Å; C126-E141 PolarHBondContact N-OE1 3.11Å; C126-E141 PolarHBondContact SG-OE1 3Å; E141-S143 PolarHBondContact O-N 3.36Å
142A61Low69.4Low30 Ų3065.7 Ų65.725%0.24843%0.434CS..  trans-66.3127.9176.300000109.6V140 G144 A147V140-A142 PolarHBondContact O-N 3.25Å; A142-G144 PolarHBondContact O-N 3.21Å; A142-A147 HydrophobicContact CB-CB 3.38Å
143S52Low69.7Low134 Ų13465.6 Ų65.694%0.93744%0.435SS*.SBendtrans-72.676.7177.156.40000110.3E141E141-S143 PolarHBondContact O-N 3.36Å
144G50.5Low69.6Low40 Ų4066.9 Ų66.941%0.41244%0.443SS..SBendtrans-177.1157.7-178.300000114.8K122 A142 A146K122-G144 PolarHBondContact NZ-O 2.03Å; K122-G144 VanDerWaalsContact NZ-O 3.11Å; A142-G144 PolarHBondContact O-N 3.21Å; G144-A146 VanDerWaalsContact C-N 3.26Å; G144-A146 PolarHBondContact O-N 3.49Å
145S43.8Very low69.1Low110 Ų11067.4 Ų67.477%0.76946%0.455SS*.THydrogen-bonded Turntrans-68.1-20.3-178.441.20000114K122K122-S145 VanDerWaalsContact NZ-CA 3.35Å; K122-S145 PolarHBondContact NZ-O 3.21Å
146A44.6Very low68.6Low98 Ų9864.5 Ų64.581%0.8144%0.444SS*.THydrogen-bonded Turntrans-148.937.8-171.600000114G144G144-A146 VanDerWaalsContact C-N 3.26Å; G144-A146 PolarHBondContact O-N 3.49Å
147A48.1Very low68.7Low58 Ų5864 Ų6448%0.47942%0.423SS..  trans-112.2122.117800000109.4A142A142-A147 HydrophobicContact CB-CB 3.38Å
148D54.5Low68.5Low142 Ų14265.5 Ų65.576%0.75943%0.432SS*.PPolyproline II helixtrans-49.2145173.2-62-56.2000110.6S150D148-S150 PolarHBondContact O-N 3.07Å
149P58.8Low68Low28 Ų2862.8 Ų62.818%0.18242%0.422CS..PPolyproline II helixtrans-55.7125.1173.726.5-36000108.9L125L125-P149 HydrophobicContact CB-CB 4.07Å; L125-P149 HydrophobicContact CB-CG 3.85Å; L125-P149 HydrophobicContact CD2-CG 3.58Å; L125-P149 HydrophobicContact CG-CG 4.31Å
150S71.1Confident67.8Low57 Ų5765.6 Ų65.640%0.39945%0.446SS..EExtended strand (participates in β ladder)trans-96.1131.8176.655.80000109.5V140 D148V140-S150 VanDerWaalsContact CG2-O 3.24Å; V140-S150 WeakPolarHBondContact CG2-O 3.04Å; V140-S150 WeakPolarHBondContact CG2-OG 3.1Å; V140-S150 PolarHBondContact N-O 2.82Å; V140-S150 PolarHBondContact O-N 2.84Å; D148-S150 PolarHBondContact O-N 3.07Å
151C82.2Confident68Low18 Ų1866.4 Ų66.412%0.12245%0.449CS..EExtended strand (participates in β ladder)trans-92.6130.1173.4-66.50000110.9C133 A160 C162C133-C151 WeakPolarHBondContact CA-SG 3.25Å; C133-C151 HydrophobicContact CB-CB 3.68Å; C133-C151 WeakPolarHBondContact CB-SG 3.38Å; C133-C151 WeakPolarHBondContact SG-CA 3.43Å; C133-C151 WeakPolarHBondContact SG-CB 3.39Å; C133-C151 CovalentContact SG-SG 2.02Å; C133-C151 PolarHBondContact SG-SG 3Å; C151-A160 VanDerWaalsContact CB-O 3.31Å; C151-A160 WeakPolarHBondContact CB-O 3.02Å; C151-A160 PolarHBondContact SG-O 3.38Å; C151-C162 WeakPolarHBondContact CB-SG 3.4Å
152L84.6Confident68.9Low104 Ų10462.8 Ų62.855%0.54543%0.432SS..EExtended strand (participates in β ladder)trans-86.2109.5167.6-62.3177.6000108.6G137 T138 V140G137-L152 VanDerWaalsContact CA-O 3.3Å; G137-L152 WeakPolarHBondContact CA-O 3.44Å; T138-L152 PolarHBondContact N-O 3.34Å; T138-L152 PolarHBondContact O-N 2.96Å; V140-L152 HydrophobicContact CG1-CD1 3.66Å; V140-L152 HydrophobicContact CG1-CG 4.07Å; V140-L152 HydrophobicContact CG2-CG 4.21Å
153C84Confident70Confident46 Ų4665.3 Ų65.331%0.31144%0.441SS..PPolyproline II helixtrans-84.5138.6-174.7-54.70000112.8F157 C162C153-F157 HydrophobicContact CB-CB 4.36Å; C153-F157 WeakPolarHBondContact CB-O 3.31Å; C153-C162 WeakPolarHBondContact CA-SG 3.31Å; C153-C162 HydrophobicContact CB-CB 3.73Å; C153-C162 WeakPolarHBondContact CB-SG 3.14Å; C153-C162 WeakPolarHBondContact SG-CA 3.06Å; C153-C162 WeakPolarHBondContact SG-CB 3.5Å; C153-C162 CovalentContact SG-SG 2.04Å; C153-C162 PolarHBondContact SG-SG 3.44Å
154P79.9Confident71.3Confident39 Ų3963.1 Ų63.125%0.25342%0.418SS..PPolyproline II helixtrans-68.2160.7170.726.1-28.7000111.1N135 G156 F157N135-P154 VanDerWaalsContact O-CG 3.27Å; N135-P154 WeakPolarHBondContact O-CG 3.33Å; P154-G156 PolarHBondContact O-N 3.48Å; P154-F157 HydrophobicContact CG-CD2 4.02Å; P154-F157 PolarHBondContact O-N 3.03Å; P154-F157 VanDerWaalsContact O-N 3.14Å
155P75Confident72.5Confident117 Ų11765.4 Ų65.476%0.7643%0.428SS*.THydrogen-bonded Turntrans-52.3136.5175.8-25.134000112.2
156G74.3Confident74Confident20 Ų2061.9 Ų61.921%0.20640%0.402CS..THydrogen-bonded Turntrans86.24-176.500000114.7P154 S165 V166P154-G156 PolarHBondContact O-N 3.48Å; G156-S165 CarbonylContact O-C 3.5Å; G156-S165 WeakPolarHBondContact O-CA 3.49Å; G156-V166 WeakPolarHBondContact CA-O 3.46Å; G156-V166 PolarHBondContact O-N 3.07Å
157F81.5Confident75.3Confident57 Ų5758.3 Ų58.325%0.2537%0.374CS..EExtended strand (participates in β ladder)trans-131.9149.5173.8-62.9-87000111.8N135 C153 P154 C162 I164N135-F157 HydrophobicContact CB-CD1 3.69Å; N135-F157 HydrophobicContact CB-CD2 4.11Å; N135-F157 HydrophobicContact CB-CE1 3.64Å; N135-F157 HydrophobicContact CB-CE2 4.07Å; N135-F157 HydrophobicContact CB-CG 3.92Å; N135-F157 HydrophobicContact CB-CZ 3.83Å; N135-F157 WeakPolarHBondContact ND2-CD1 3.48Å; N135-F157 WeakPolarHBondContact ND2-CE1 3.33Å; C153-F157 HydrophobicContact CB-CB 4.36Å; C153-F157 WeakPolarHBondContact CB-O 3.31Å; P154-F157 HydrophobicContact CG-CD2 4.02Å; P154-F157 PolarHBondContact O-N 3.03Å; P154-F157 VanDerWaalsContact O-N 3.14Å; F157-C162 HydrophobicContact CB-CB 4.42Å; F157-I164 CarbonylContact C-O 3.46Å; F157-I164 VanDerWaalsContact CA-O 3.24Å; F157-I164 WeakPolarHBondContact CA-O 3.5Å
158S80.5Confident76.6Confident42 Ų4256.8 Ų56.829%0.29436%0.36SS..EExtended strand (participates in β ladder)trans-148.7-174.4178.471.40000110.7C162 D163 I164 V166S158-C162 CarbonylContact O-C 3.57Å; S158-C162 VanDerWaalsContact O-CA 3.29Å; S158-C162 WeakPolarHBondContact O-CA 3.34Å; S158-D163 PolarHBondContact O-N 3.05Å; S158-I164 PolarHBondContact N-O 3.3Å; S158-I164 VanDerWaalsContact O-CB 3.3Å; S158-I164 WeakPolarHBondContact O-CB 3Å; S158-I164 PolarHBondContact O-N 2.03Å; S158-V166 VanDerWaalsContact CB-CG2 3.43Å; S158-V166 WeakPolarHBondContact OG-CG2 3.22Å
159G75.1Confident77.8Confident30 Ų3051.3 Ų51.331%0.30933%0.333SS..SBendtrans92.1165.5-173.500000112.3L161 C162G159-L161 PolarHBondContact O-N 3.4Å; G159-C162 PolarHBondContact O-N 2.97Å
160A79Confident78.8Confident81 Ų8157.1 Ų57.167%0.66936%0.357SS*.THydrogen-bonded Turntrans-63.6-27-176.500000112.9C151C151-A160 VanDerWaalsContact CB-O 3.31Å; C151-A160 WeakPolarHBondContact CB-O 3.02Å; C151-A160 PolarHBondContact SG-O 3.38Å
161L81.6Confident78.8Confident67 Ų6760.1 Ų60.135%0.35138%0.376SS..THydrogen-bonded Turntrans-114.911.6-179.3-59.9177.9000113.1P132 Q134 G159 D163P132-L161 HydrophobicContact CB-CD2 4.26Å; Q134-L161 PolarHBondContact N-O 2.95Å; G159-L161 PolarHBondContact O-N 3.4Å; L161-D163 PolarHBondContact O-N 2.76Å
162C85.6Confident78.8Confident0 Ų063.4 Ų63.40%039%0.392CS..SBendtrans58.429-175.2-47.90000114.1N135 C151 C153 F157 S158 G159N135-C162 PolarHBondContact ND2-O 2.83Å; C151-C162 WeakPolarHBondContact CB-SG 3.4Å; C153-C162 WeakPolarHBondContact CA-SG 3.31Å; C153-C162 HydrophobicContact CB-CB 3.73Å; C153-C162 WeakPolarHBondContact CB-SG 3.14Å; C153-C162 WeakPolarHBondContact SG-CA 3.06Å; C153-C162 WeakPolarHBondContact SG-CB 3.5Å; C153-C162 CovalentContact SG-SG 2.04Å; C153-C162 PolarHBondContact SG-SG 3.44Å; F157-C162 HydrophobicContact CB-CB 4.42Å; S158-C162 CarbonylContact O-C 3.57Å; S158-C162 VanDerWaalsContact O-CA 3.29Å; S158-C162 WeakPolarHBondContact O-CA 3.34Å; G159-C162 PolarHBondContact O-N 2.97Å
163D83Confident78.8Confident84 Ų8460 Ų6045%0.44938%0.376SS..  trans-87.4-16.2-178.859-39.8000113S158 L161S158-D163 PolarHBondContact O-N 3.05Å; L161-D163 PolarHBondContact O-N 2.76Å
164I79.3Confident79.1Confident87 Ų8758.2 Ų58.245%0.44636%0.364SS..EExtended strand (participates in β ladder)trans-92.7110.7-178.9-51.2175.7000109F157 S158 V166F157-I164 CarbonylContact C-O 3.46Å; F157-I164 VanDerWaalsContact CA-O 3.24Å; F157-I164 WeakPolarHBondContact CA-O 3.5Å; S158-I164 PolarHBondContact N-O 3.3Å; S158-I164 VanDerWaalsContact O-CB 3.3Å; S158-I164 WeakPolarHBondContact O-CB 3Å; S158-I164 PolarHBondContact O-N 2.03Å; I164-V166 PolarHBondContact O-N 3.14Å
165S76.1Confident79.6Confident88 Ų8860.1 Ų60.162%0.61537%0.372SS*.EExtended strand (participates in β ladder)trans-70.6124.5169-176.40000110G156G156-S165 CarbonylContact O-C 3.5Å; G156-S165 WeakPolarHBondContact O-CA 3.49Å
166V75.3Confident80.3Confident37 Ų3758.4 Ų58.422%0.22436%0.356CS..  trans-102115.1173.5-172.70000107.1G156 S158 I164 Q170G156-V166 WeakPolarHBondContact CA-O 3.46Å; G156-V166 PolarHBondContact O-N 3.07Å; S158-V166 VanDerWaalsContact CB-CG2 3.43Å; S158-V166 WeakPolarHBondContact OG-CG2 3.22Å; I164-V166 PolarHBondContact O-N 3.14Å; V166-Q170 HydrophobicContact CG1-CB 3.97Å; V166-Q170 WeakPolarHBondContact CG1-O 3.34Å
167G72.6Confident80.9Confident23 Ų2361 Ų6124%0.23738%0.382CS..  trans-56.2148.4173.900000111.2C169 Q170 D182G167-C169 PolarHBondContact O-N 3.41Å; G167-Q170 PolarHBondContact O-N 2.95Å; G167-D182 WeakPolarHBondContact CA-OD2 3.21Å
168S75.7Confident81.3Confident26 Ų2658.5 Ų58.518%0.18237%0.373CS..THydrogen-bonded Turntrans-61.7-10.7-177.5-68.80000113.7D182 G184 L185 A186S168-D182 WeakPolarHBondContact CB-OD1 3.05Å; S168-D182 PolarHBondContact N-OD1 3.27Å; S168-D182 PolarHBondContact N-OD2 3.19Å; S168-G184 VanDerWaalsContact OG-C 3.32Å; S168-G184 PolarHBondContact OG-O 2.72Å; S168-L185 WeakPolarHBondContact OG-CA 3.44Å; S168-A186 VanDerWaalsContact CB-C 3.46Å; S168-A186 VanDerWaalsContact CB-O 3.22Å; S168-A186 WeakPolarHBondContact CB-O 3.35Å; S168-A186 PolarHBondContact OG-N 3.3Å; S168-A186 VanDerWaalsContact OG-N 3.13Å; S168-A186 PolarHBondContact OG-O 3.31Å
169C79.6Confident81.8Confident27 Ų2761.9 Ų61.918%0.18239%0.387CS..THydrogen-bonded Turntrans-93.89.4174.8-69.30000114.8G167 P171 N172 C180 D182G167-C169 PolarHBondContact O-N 3.41Å; C169-P171 CarbonylContact C-O 3.54Å; C169-P171 CarbonylContact O-C 3.56Å; C169-N172 WeakPolarHBondContact O-CA 3.39Å; C169-N172 PolarHBondContact O-N 3.45Å; C169-N172 VanDerWaalsContact O-N 3.15Å; C169-C180 WeakPolarHBondContact CA-SG 3.37Å; C169-C180 HydrophobicContact CB-CB 3.73Å; C169-C180 WeakPolarHBondContact CB-SG 3.34Å; C169-C180 WeakPolarHBondContact SG-CB 3.44Å; C169-C180 CovalentContact SG-SG 2.03Å; C169-C180 PolarHBondContact SG-SG 2.95Å; C169-D182 HydrophobicContact CB-CB 4.38Å; C169-D182 PolarHBondContact SG-N 3.17Å
170Q78.1Confident82.5Confident150 Ų15061.5 Ų61.570%0.70138%0.38SS*.SBendtrans-130.9119.4-179.2-160.9143.4-21.400112.5V166 G167V166-Q170 HydrophobicContact CG1-CB 3.97Å; V166-Q170 WeakPolarHBondContact CG1-O 3.34Å; G167-Q170 PolarHBondContact O-N 2.95Å
171P71.6Confident83Confident120 Ų12060.5 Ų60.578%0.77937%0.366SS*.SBendcis-61152.4-9.828.4-34.5000112C169 P173C169-P171 CarbonylContact C-O 3.54Å; C169-P171 CarbonylContact O-C 3.56Å; P171-P173 WeakPolarHBondContact O-CD 3.31Å; P171-P173 VanDerWaalsContact O-N 3.08Å
172N83.4Confident83Confident87 Ų8761 Ų6147%0.46537%0.369SS..  trans-58.3112.7-174.4-175.3-1.8000111C169 C174 C180C169-N172 WeakPolarHBondContact O-CA 3.39Å; C169-N172 PolarHBondContact O-N 3.45Å; C169-N172 VanDerWaalsContact O-N 3.15Å; N172-C174 VanDerWaalsContact C-N 3.28Å; N172-C174 PolarHBondContact O-N 2.94Å; N172-C174 WeakPolarHBondContact OD1-CB 3.5Å; N172-C174 PolarHBondContact OD1-N 3.31Å; N172-C180 WeakPolarHBondContact OD1-CB 3.23Å
173P84.3Confident82.7Confident32 Ų3266.5 Ų66.521%0.20839%0.394CS..  trans-77.7-12.8-178.732.7-36.3000113.1P171 L175 F187 T199P171-P173 WeakPolarHBondContact O-CD 3.31Å; P171-P173 VanDerWaalsContact O-N 3.08Å; P173-L175 PolarHBondContact O-N 3.22Å; P173-F187 HydrophobicContact CB-CD1 4.38Å; P173-F187 HydrophobicContact CB-CD2 4.14Å; P173-F187 HydrophobicContact CB-CE1 3.89Å; P173-F187 HydrophobicContact CB-CE2 3.63Å; P173-F187 HydrophobicContact CB-CG 4.5Å; P173-F187 HydrophobicContact CB-CZ 3.47Å; P173-F187 VanDerWaalsContact CB-CZ 3.47Å; P173-F187 HydrophobicContact CG-CB 4.37Å; P173-F187 HydrophobicContact CG-CD1 3.8Å; P173-F187 HydrophobicContact CG-CD2 3.36Å; P173-F187 HydrophobicContact CG-CE1 3.81Å; P173-F187 HydrophobicContact CG-CE2 3.39Å; P173-F187 HydrophobicContact CG-CG 3.57Å; P173-F187 HydrophobicContact CG-CZ 3.6Å; P173-T199 WeakPolarHBondContact O-CB 3.22Å
174C90.2Very high82.1Confident8 Ų864.6 Ų64.65%0.05439%0.394CS..  trans-82.2116.5-179.7-50.60000110.7N172 G178 C180 C189N172-C174 VanDerWaalsContact C-N 3.28Å; N172-C174 PolarHBondContact O-N 2.94Å; N172-C174 WeakPolarHBondContact OD1-CB 3.5Å; N172-C174 PolarHBondContact OD1-N 3.31Å; C174-G178 WeakPolarHBondContact CB-O 3.44Å; C174-C180 HydrophobicContact CB-CB 4.5Å; C174-C180 VanDerWaalsContact SG-CA 3.58Å; C174-C180 WeakPolarHBondContact SG-CB 3.36Å; C174-C189 WeakPolarHBondContact CA-SG 3.32Å; C174-C189 HydrophobicContact CB-CB 3.78Å; C174-C189 WeakPolarHBondContact CB-SG 3.31Å; C174-C189 WeakPolarHBondContact SG-CA 3.11Å; C174-C189 WeakPolarHBondContact SG-CB 3.01Å; C174-C189 CovalentContact SG-SG 2.02Å; C174-C189 PolarHBondContact SG-SG 3.44Å
175L89.8Confident81.5Confident80 Ų8067.5 Ų67.542%0.41941%0.41SS..  trans-84.1171.6179.3-57.6177.3000111.1P173 G177 G178 T199 C200 N201P173-L175 PolarHBondContact O-N 3.22Å; L175-G177 PolarHBondContact O-N 2.99Å; L175-G178 PolarHBondContact O-N 2.03Å; L175-T199 WeakPolarHBondContact CB-O 3.21Å; L175-T199 PolarHBondContact N-O 3.13Å; L175-C200 WeakPolarHBondContact O-CB 3.32Å; L175-N201 HydrophobicContact CD1-CB 4.09Å
176N90.6Very high81.3Confident81 Ų8165.9 Ų65.943%0.43340%0.402SS..THydrogen-bonded Turntrans54.927.9175-59.7-48.8000115.1P192 F195 C200N176-P192 WeakPolarHBondContact O-CG 3.36Å; N176-F195 HydrophobicContact CB-CD1 3.76Å; N176-F195 HydrophobicContact CB-CD2 4.29Å; N176-F195 HydrophobicContact CB-CE1 3.66Å; N176-F195 HydrophobicContact CB-CE2 4.21Å; N176-F195 HydrophobicContact CB-CG 4.07Å; N176-F195 HydrophobicContact CB-CZ 3.89Å; N176-F195 VanDerWaalsContact ND2-CD1 3.34Å; N176-F195 WeakPolarHBondContact ND2-CD1 3.45Å; N176-F195 VanDerWaalsContact ND2-CE1 3.33Å; N176-F195 WeakPolarHBondContact ND2-CE1 3.5Å; N176-C200 PolarHBondContact ND2-O 3.47Å
177G86.2Confident81.7Confident74 Ų7466 Ų6676%0.76340%0.399SS*.THydrogen-bonded Turntrans8019.3-179.600000114.5L175L175-G177 PolarHBondContact O-N 2.99Å
178G89.6Confident82.4Confident4 Ų468.3 Ų68.34%0.04141%0.409CS..PPolyproline II helixtrans-61.6140.217300000112.9C174 L175 A190C174-G178 WeakPolarHBondContact CB-O 3.44Å; L175-G178 PolarHBondContact O-N 2.03Å; G178-A190 WeakPolarHBondContact CA-O 3.48Å
179N92Very high83.1Confident113 Ų11367.9 Ų67.960%0.60441%0.406SS*.EExtended strand (participates in β ladder)trans-85124176.6-169.537.2000109.8A190N179-A190 HydrophobicContact CB-CB 4.34Å; N179-A190 PolarHBondContact N-O 3.13Å; N179-A190 PolarHBondContact O-N 2.92Å
180C89.6Confident83.7Confident22 Ų2269.4 Ų69.415%0.14942%0.421CS..EExtended strand (participates in β ladder)trans-94131.7-177.5-168.50000111.3C169 N172 C174C169-C180 WeakPolarHBondContact CA-SG 3.37Å; C169-C180 HydrophobicContact CB-CB 3.73Å; C169-C180 WeakPolarHBondContact CB-SG 3.34Å; C169-C180 WeakPolarHBondContact SG-CB 3.44Å; C169-C180 CovalentContact SG-SG 2.03Å; C169-C180 PolarHBondContact SG-SG 2.95Å; N172-C180 WeakPolarHBondContact OD1-CB 3.23Å; C174-C180 HydrophobicContact CB-CB 4.5Å; C174-C180 VanDerWaalsContact SG-CA 3.58Å; C174-C180 WeakPolarHBondContact SG-CB 3.36Å
181T88.1Confident84.4Confident61 Ų6164.3 Ų64.337%0.37440%0.401SS..EExtended strand (participates in β ladder)trans-111.4123169.159.30000110.1H183 F187 T188T181-H183 PolarHBondContact O-CD2 3.49Å; T181-H183 PolarHBondContact OG1-NE2 3.14Å; T181-F187 WeakPolarHBondContact O-CA 3.35Å; T181-T188 PolarHBondContact N-O 3.22Å; T181-T188 PolarHBondContact O-N 3.29Å; T181-T188 WeakPolarHBondContact OG1-CB 3.23Å; T181-T188 PolarHBondContact OG1-O 3.35Å
182D82.8Confident85.3Confident77 Ų7760.4 Ų60.441%0.41238%0.376SS..EExtended strand (participates in β ladder)trans-81.4130.3-179.2-171.25.9000110.8G167 S168 C169 G184G167-D182 WeakPolarHBondContact CA-OD2 3.21Å; S168-D182 WeakPolarHBondContact CB-OD1 3.05Å; S168-D182 PolarHBondContact N-OD1 3.27Å; S168-D182 PolarHBondContact N-OD2 3.19Å; C169-D182 HydrophobicContact CB-CB 4.38Å; C169-D182 PolarHBondContact SG-N 3.17Å; D182-G184 PolarHBondContact OD1-N 3.33Å
183H79.1Confident85.5Confident116 Ų11662.4 Ų62.454%0.53739%0.393SS..  trans-119.228.1174.2-58.4-79.4000111.3T181 L185 A186 T188T181-H183 PolarHBondContact O-CD2 3.49Å; T181-H183 PolarHBondContact OG1-NE2 3.14Å; H183-L185 PolarHBondContact O-N 3.26Å; H183-A186 CarbonylContact C-O 3.32Å; H183-A186 VanDerWaalsContact CA-O 3.26Å; H183-A186 WeakPolarHBondContact CA-O 3.41Å; H183-A186 HydrophobicContact CB-CB 4.39Å; H183-A186 VanDerWaalsContact CB-O 3.28Å; H183-A186 WeakPolarHBondContact CB-O 3.35Å; H183-A186 PolarHBondContact N-O 3.33Å; H183-T188 PolarHBondContact CD2-OG1 3.03Å; H183-T188 PolarHBondContact NE2-OG1 3.07Å; H183-T188 VanDerWaalsContact NE2-OG1 3.13Å
184G70.6Confident85.5Confident44 Ų4462 Ų6245%0.45440%0.395SS..SBendtrans85-83.1178.300000111.7S168 D182S168-G184 VanDerWaalsContact OG-C 3.32Å; S168-G184 PolarHBondContact OG-O 2.72Å; D182-G184 PolarHBondContact OD1-N 3.33Å
185L66Low85.4Confident147 Ų14764.6 Ų64.677%0.7741%0.406SS*.SBendtrans-97.9-4.5177-64.7177.7000113.7S168 H183S168-L185 WeakPolarHBondContact OG-CA 3.44Å; H183-L185 PolarHBondContact O-N 3.26Å
186A71.7Confident85.3Confident54 Ų5464 Ų6445%0.44641%0.405SS..  trans-132160.217700000109.9S168 H183S168-A186 VanDerWaalsContact CB-C 3.46Å; S168-A186 VanDerWaalsContact CB-O 3.22Å; S168-A186 WeakPolarHBondContact CB-O 3.35Å; S168-A186 PolarHBondContact OG-N 3.3Å; S168-A186 VanDerWaalsContact OG-N 3.13Å; S168-A186 PolarHBondContact OG-O 3.31Å; H183-A186 CarbonylContact C-O 3.32Å; H183-A186 VanDerWaalsContact CA-O 3.26Å; H183-A186 WeakPolarHBondContact CA-O 3.41Å; H183-A186 HydrophobicContact CB-CB 4.39Å; H183-A186 VanDerWaalsContact CB-O 3.28Å; H183-A186 WeakPolarHBondContact CB-O 3.35Å; H183-A186 PolarHBondContact N-O 3.33Å
187F83.3Confident85.1Confident40 Ų4061.9 Ų61.918%0.17540%0.403CS..EExtended strand (participates in β ladder)trans-131.1158.4173.465-89000110.4P173 T181 F198 T199P173-F187 HydrophobicContact CB-CD1 4.38Å; P173-F187 HydrophobicContact CB-CD2 4.14Å; P173-F187 HydrophobicContact CB-CE1 3.89Å; P173-F187 HydrophobicContact CB-CE2 3.63Å; P173-F187 HydrophobicContact CB-CG 4.5Å; P173-F187 HydrophobicContact CB-CZ 3.47Å; P173-F187 VanDerWaalsContact CB-CZ 3.47Å; P173-F187 HydrophobicContact CG-CB 4.37Å; P173-F187 HydrophobicContact CG-CD1 3.8Å; P173-F187 HydrophobicContact CG-CD2 3.36Å; P173-F187 HydrophobicContact CG-CE1 3.81Å; P173-F187 HydrophobicContact CG-CE2 3.39Å; P173-F187 HydrophobicContact CG-CG 3.57Å; P173-F187 HydrophobicContact CG-CZ 3.6Å; T181-F187 WeakPolarHBondContact O-CA 3.35Å; F187-F198 HydrophobicContact CD2-CE1 4.36Å; F187-F198 HydrophobicContact CD2-CZ 4.36Å; F187-F198 AromaticContact CE1-CE1 3.83Å; F187-F198 HydrophobicContact CE1-CE1 3.83Å; F187-F198 HydrophobicContact CE1-CZ 4.3Å; F187-F198 HydrophobicContact CE2-CD1 4.06Å; F187-F198 AromaticContact CE2-CE1 3.55Å; F187-F198 HydrophobicContact CE2-CE1 3.55Å; F187-F198 AromaticContact CE2-CZ 3.97Å; F187-F198 HydrophobicContact CE2-CZ 3.97Å; F187-F198 AromaticContact CZ-CD1 3.92Å; F187-F198 HydrophobicContact CZ-CD1 3.92Å; F187-F198 AromaticContact CZ-CE1 3.24Å; F187-F198 HydrophobicContact CZ-CE1 3.24Å; F187-F198 AromaticContact CZ-CZ 3.95Å; F187-F198 HydrophobicContact CZ-CZ 3.95Å; F187-F198 WeakPolarHBondContact O-CZ 3.28Å; F187-T199 HydrophobicContact CE2-CG2 4.24Å; F187-T199 HydrophobicContact CZ-CG2 4.16Å
188T88.1Confident85.2Confident71 Ų7165.1 Ų65.144%0.43640%0.396SS..EExtended strand (participates in β ladder)trans-125.4136.4169.1-52.70000109.2T181 H183T181-T188 PolarHBondContact N-O 3.22Å; T181-T188 PolarHBondContact O-N 3.29Å; T181-T188 WeakPolarHBondContact OG1-CB 3.23Å; T181-T188 PolarHBondContact OG1-O 3.35Å; H183-T188 PolarHBondContact CD2-OG1 3.03Å; H183-T188 PolarHBondContact NE2-OG1 3.07Å; H183-T188 VanDerWaalsContact NE2-OG1 3.13Å
189C90.8Very high85.2Confident17 Ų1767.1 Ų67.112%0.11541%0.408CS..EExtended strand (participates in β ladder)trans-102.4122.1175-65.30000111.1C174 C191 F198 C200C174-C189 WeakPolarHBondContact CA-SG 3.32Å; C174-C189 HydrophobicContact CB-CB 3.78Å; C174-C189 WeakPolarHBondContact CB-SG 3.31Å; C174-C189 WeakPolarHBondContact SG-CA 3.11Å; C174-C189 WeakPolarHBondContact SG-CB 3.01Å; C174-C189 CovalentContact SG-SG 2.02Å; C174-C189 PolarHBondContact SG-SG 3.44Å; C189-C191 PolarHBondContact O-N 3.22Å; C189-F198 WeakPolarHBondContact CB-O 3.02Å; C189-F198 PolarHBondContact SG-O 2.98Å; C189-F198 VanDerWaalsContact SG-O 3.38Å; C189-C200 VanDerWaalsContact CB-SG 3.58Å
190A93Very high85.2Confident60 Ų6061.7 Ų61.750%0.49638%0.379SS..EExtended strand (participates in β ladder)trans-86.3104.2166.400000109.1G178 N179G178-A190 WeakPolarHBondContact CA-O 3.48Å; N179-A190 HydrophobicContact CB-CB 4.34Å; N179-A190 PolarHBondContact N-O 3.13Å; N179-A190 PolarHBondContact O-N 2.92Å
191C92.1Very high85.3Confident43 Ų4365.1 Ų65.129%0.29140%0.396SS..PPolyproline II helixtrans-78.9139.4-175.2-55.80000112.6C189 F195 C200C189-C191 PolarHBondContact O-N 3.22Å; C191-F195 HydrophobicContact CB-CB 4.29Å; C191-F195 WeakPolarHBondContact CB-O 3.16Å; C191-C200 WeakPolarHBondContact CA-SG 3.29Å; C191-C200 HydrophobicContact CB-CB 3.76Å; C191-C200 WeakPolarHBondContact CB-SG 3.31Å; C191-C200 WeakPolarHBondContact SG-CA 3.49Å; C191-C200 WeakPolarHBondContact SG-CB 3.4Å; C191-C200 CovalentContact SG-SG 2.04Å; C191-C200 PolarHBondContact SG-SG 3.37Å
192P90.3Very high85.3Confident38 Ų3866.4 Ų66.425%0.24740%0.4CS..PPolyproline II helixtrans-66.5158.9171.623.9-28000111.4N176 G194 F195N176-P192 WeakPolarHBondContact O-CG 3.36Å; P192-G194 PolarHBondContact O-N 3.31Å; P192-F195 HydrophobicContact CG-CD2 3.9Å; P192-F195 PolarHBondContact O-N 3.09Å; P192-F195 VanDerWaalsContact O-N 3.07Å
193P88.2Confident85.3Confident129 Ų12967.6 Ų67.684%0.83841%0.41SS*.THydrogen-bonded Turntrans-53.8133.8-180-23.332.3000112
194G84.4Confident84.8Confident24 Ų2464.3 Ų64.325%0.24740%0.401CS..THydrogen-bonded Turntrans88.9-0.6-176.900000114.6P192 T203 S204P192-G194 PolarHBondContact O-N 3.31Å; G194-T203 CarbonylContact O-C 3.42Å; G194-T203 WeakPolarHBondContact O-CA 3.21Å; G194-S204 PolarHBondContact O-N 3Å
195F88.2Confident84Confident62 Ų6267.1 Ų67.127%0.27241%0.413SS..EExtended strand (participates in β ladder)trans-122.3145.4172-62.4-88.1000111.6N176 C191 P192 C200 D202 T203N176-F195 HydrophobicContact CB-CD1 3.76Å; N176-F195 HydrophobicContact CB-CD2 4.29Å; N176-F195 HydrophobicContact CB-CE1 3.66Å; N176-F195 HydrophobicContact CB-CE2 4.21Å; N176-F195 HydrophobicContact CB-CG 4.07Å; N176-F195 HydrophobicContact CB-CZ 3.89Å; N176-F195 VanDerWaalsContact ND2-CD1 3.34Å; N176-F195 WeakPolarHBondContact ND2-CD1 3.45Å; N176-F195 VanDerWaalsContact ND2-CE1 3.33Å; N176-F195 WeakPolarHBondContact ND2-CE1 3.5Å; C191-F195 HydrophobicContact CB-CB 4.29Å; C191-F195 WeakPolarHBondContact CB-O 3.16Å; P192-F195 HydrophobicContact CG-CD2 3.9Å; P192-F195 PolarHBondContact O-N 3.09Å; P192-F195 VanDerWaalsContact O-N 3.07Å; F195-C200 HydrophobicContact CB-CB 4.36Å; F195-D202 CarbonylContact C-O 3.35Å; F195-D202 VanDerWaalsContact CA-O 3.24Å; F195-D202 WeakPolarHBondContact CA-O 2.97Å; F195-T203 HydrophobicContact CD1-CG2 4.11Å; F195-T203 HydrophobicContact CE1-CG2 3.76Å
196T86.4Confident83.3Confident66 Ų6666.6 Ų66.641%0.40541%0.41SS..EExtended strand (participates in β ladder)trans-142.2174.6-176.947.40000110.6C200 D202T196-C200 CarbonylContact O-C 3.59Å; T196-C200 WeakPolarHBondContact O-CA 3.06Å; T196-D202 PolarHBondContact N-O 3.3Å; T196-D202 WeakPolarHBondContact O-CB 2.89Å; T196-D202 PolarHBondContact O-N 3.14Å; T196-D202 VanDerWaalsContact O-N 3.08Å; T196-D202 PolarHBondContact OG1-O 3.48Å
197G87.1Confident82.2Confident38 Ų3868.6 Ų68.639%0.39242%0.421SS..SBendtrans95167.6-178.600000112.9T199 C200G197-T199 VanDerWaalsContact C-N 3.25Å; G197-T199 PolarHBondContact O-N 3.4Å; G197-C200 PolarHBondContact O-N 2.77Å
198F88.3Confident80.7Confident141 Ų14170.7 Ų70.762%0.61845%0.446SS*.THydrogen-bonded Turntrans-64.4-28.7-173.5-174.9-109.2000113.5F187 C189F187-F198 HydrophobicContact CD2-CE1 4.36Å; F187-F198 HydrophobicContact CD2-CZ 4.36Å; F187-F198 AromaticContact CE1-CE1 3.83Å; F187-F198 HydrophobicContact CE1-CE1 3.83Å; F187-F198 HydrophobicContact CE1-CZ 4.3Å; F187-F198 HydrophobicContact CE2-CD1 4.06Å; F187-F198 AromaticContact CE2-CE1 3.55Å; F187-F198 HydrophobicContact CE2-CE1 3.55Å; F187-F198 AromaticContact CE2-CZ 3.97Å; F187-F198 HydrophobicContact CE2-CZ 3.97Å; F187-F198 AromaticContact CZ-CD1 3.92Å; F187-F198 HydrophobicContact CZ-CD1 3.92Å; F187-F198 AromaticContact CZ-CE1 3.24Å; F187-F198 HydrophobicContact CZ-CE1 3.24Å; F187-F198 AromaticContact CZ-CZ 3.95Å; F187-F198 HydrophobicContact CZ-CZ 3.95Å; F187-F198 WeakPolarHBondContact O-CZ 3.28Å; C189-F198 WeakPolarHBondContact CB-O 3.02Å; C189-F198 PolarHBondContact SG-O 2.98Å; C189-F198 VanDerWaalsContact SG-O 3.38Å
199T90.3Very high79Confident46 Ų4673.6 Ų73.628%0.28247%0.467SS..THydrogen-bonded Turntrans-116.114.2178.553.50000113P173 L175 F187 G197 N201P173-T199 WeakPolarHBondContact O-CB 3.22Å; L175-T199 WeakPolarHBondContact CB-O 3.21Å; L175-T199 PolarHBondContact N-O 3.13Å; F187-T199 HydrophobicContact CE2-CG2 4.24Å; F187-T199 HydrophobicContact CZ-CG2 4.16Å; G197-T199 VanDerWaalsContact C-N 3.25Å; G197-T199 PolarHBondContact O-N 3.4Å; T199-N201 PolarHBondContact O-N 2.81Å
200C91.1Very high77.1Confident0 Ų077.4 Ų77.40%050%0.5CS..SBendtrans58.826.5-177.1-47.30000114.8L175 N176 C189 C191 F195 T196 G197L175-C200 WeakPolarHBondContact O-CB 3.32Å; N176-C200 PolarHBondContact ND2-O 3.47Å; C189-C200 VanDerWaalsContact CB-SG 3.58Å; C191-C200 WeakPolarHBondContact CA-SG 3.29Å; C191-C200 HydrophobicContact CB-CB 3.76Å; C191-C200 WeakPolarHBondContact CB-SG 3.31Å; C191-C200 WeakPolarHBondContact SG-CA 3.49Å; C191-C200 WeakPolarHBondContact SG-CB 3.4Å; C191-C200 CovalentContact SG-SG 2.04Å; C191-C200 PolarHBondContact SG-SG 3.37Å; F195-C200 HydrophobicContact CB-CB 4.36Å; T196-C200 CarbonylContact O-C 3.59Å; T196-C200 WeakPolarHBondContact O-CA 3.06Å; G197-C200 PolarHBondContact O-N 2.77Å
201N92.7Very high75.1Confident94 Ų9478.2 Ų78.250%0.50352%0.515SS..  trans-76.9-30179.5-169.241.6000112.8L175 T199L175-N201 HydrophobicContact CD1-CB 4.09Å; T199-N201 PolarHBondContact O-N 2.81Å
202D88.1Confident72.8Confident87 Ų8780.1 Ų80.147%0.46553%0.533SS..EExtended strand (participates in β ladder)trans-86.2128.1-171.1-54.2-40.9000109.6F195 T196 S204F195-D202 CarbonylContact C-O 3.35Å; F195-D202 VanDerWaalsContact CA-O 3.24Å; F195-D202 WeakPolarHBondContact CA-O 2.97Å; T196-D202 PolarHBondContact N-O 3.3Å; T196-D202 WeakPolarHBondContact O-CB 2.89Å; T196-D202 PolarHBondContact O-N 3.14Å; T196-D202 VanDerWaalsContact O-N 3.08Å; T196-D202 PolarHBondContact OG1-O 3.48Å; D202-S204 PolarHBondContact O-N 3.47Å
203T81.6Confident71Confident102 Ų10284.4 Ų84.463%0.62656%0.561SS**EExtended strand (participates in β ladder)trans-76.2117.8169.952.10000108.9G194 F195 S205G194-T203 CarbonylContact O-C 3.42Å; G194-T203 WeakPolarHBondContact O-CA 3.21Å; F195-T203 HydrophobicContact CD1-CG2 4.11Å; F195-T203 HydrophobicContact CE1-CG2 3.76Å; T203-S205 PolarHBondContact O-N 2.93Å
204S68.6Low69.1Low48 Ų4884.7 Ų84.734%0.33657%0.565SS.*  trans-65100.8165.6174.50000107.4G194 D202 L206G194-S204 PolarHBondContact O-N 3Å; D202-S204 PolarHBondContact O-N 3.47Å; S204-L206 PolarHBondContact O-N 3.44Å
205S54.2Low67.3Low102 Ų10287.3 Ų87.371%0.71358%0.584SS**  trans-6187.716657.70000108.2T203 S207T203-S205 PolarHBondContact O-N 2.93Å; S205-S207 PolarHBondContact O-N 3.45Å
206L51.7Low65.1Low136 Ų13691.8 Ų91.871%0.71261%0.611SS**  trans-6877.5163.2-92130.2000107.9S204S204-L206 PolarHBondContact O-N 3.44Å
207S47.9Very low63.6Low96 Ų9696.8 Ų96.867%0.67164%0.635SS**  trans-10958.2148.9690000108.3S205S205-S207 PolarHBondContact O-N 3.45Å
208A51.3Low61.2Low84 Ų8498.2 Ų98.269%0.69465%0.65SS**SBendtrans-93.90.2167.700000112.5
209C53.1Low59.4Low132 Ų13298.2 Ų98.289%0.89266%0.661SS**  trans-154.274.9174.4-83.30000111.1
210A51Low57.1Low98 Ų98105.8 Ų105.881%0.8169%0.693SS**SBendtrans-12279157.700000108.1
211G50.8Low54.6Low77 Ų77117.2 Ų117.279%0.79474%0.737SS**SBendtrans9474.3160.700000117.4
212A43.9Very low51.9Low82 Ų82117.8 Ų117.868%0.67875%0.748SS**  trans178.5127.2136.200000110.1C214A212-C214 PolarHBondContact O-N 3.49Å
213P52Low49.3Very low128 Ų128124.8 Ų124.883%0.83177%0.768SS**  trans-72.3122.3169.829.5-28.8000108.9A215P213-A215 PolarHBondContact O-N 3.37Å
214C48.1Very low47.2Very low136 Ų136127.1 Ų127.192%0.91978%0.782SS**  trans-7690.5171.6-41.10000108.6A212A212-C214 PolarHBondContact O-N 3.49Å
215A46.1Very low45.4Very low79 Ų79136.1 Ų136.165%0.65381%0.809SS**  trans-80.4132159.900000108.9P213P213-A215 PolarHBondContact O-N 3.37Å
216N43.3Very low45Very low156 Ų156137 Ų13783%0.83481%0.812SS**SBendtrans83.298.3165.6-51.5-28.5000118.1
217D54.9Low44.2Very low171 Ų171135.7 Ų135.791%0.91482%0.821SS**  trans48.870.5133.8-146.121.3000119.2
218G36.5Very low43.4Very low68 Ų68136.4 Ų136.470%0.70183%0.826SS**  trans-134.189.7171.300000112.9Q220G218-Q220 PolarHBondContact O-N 3.49Å
219T50.6Low42.7Very low140 Ų140138 Ų13886%0.85983%0.827SS**  trans-61.4114.2162430000109.9
220Q42.6Very low41.6Very low205 Ų205143.1 Ų143.196%0.95883%0.828SS**  trans-92.6124.4171.4-82.1-157.8-9.100112G218G218-Q220 PolarHBondContact O-N 3.49Å
221R37.9Very low41.1Very low240 Ų240144.5 Ų144.591%0.90683%0.828SS**  trans-116.3140.5179-161.1-178.1-171.4-151.93.5108.6
222S34.8Very low40.3Very low106 Ų106146.6 Ų146.674%0.74183%0.825SS**  trans76.6137.5157.9-142.40000115.9
223R34.7Very low39.8Very low235 Ų235151.9 Ų151.989%0.88784%0.836SS**  cis-158.4124.543.9-78.6172.7154.5123.4-6111.6
224T37Very low39.2Very low150 Ų150154.2 Ų154.292%0.9284%0.836SS**  trans-96.1120.3155.1430000108.7
225R31.2Very low38.5Very low237 Ų237159 Ų15989%0.89483%0.834SS**  trans-108129.7169.9-178.6175.8153.2-169.8-7.2108.6
226P45.1Very low37.9Very low121 Ų121158.9 Ų158.979%0.78684%0.841SS**  trans-86.5149.3-179.834.6-31.4000110.9
227A35Very low37.2Very low108 Ų108160.7 Ų160.789%0.89384%0.842SS**  trans-121.1141.7172.400000111
228S31.2Very low36.1Very low111 Ų111157.2 Ų157.278%0.77684%0.837SS**  trans-81.1152.8-161.21630000115.1
229T36.3Very low35.9Very low119 Ų119161.3 Ų161.373%0.7384%0.842SS**  trans-38.5150161.9500000117.7
230R31.6Very low35.4Very low239 Ų239160.9 Ų160.990%0.90284%0.839SS**  -174.3150.4112.8-98.3179-168.4-171.53.5113.7
231P39.9Very low34.8Very low126 Ų126156.5 Ų156.582%0.81883%0.829SS**  trans-96.1156.517937-30.1000113
232V34.6Very low34.5Very low121 Ų121153.5 Ų153.573%0.73383%0.825SS**  trans-110.9117.3179.6176.50000109.8
233E32.5Very low34.1Very low193 Ų193157.8 Ų157.890%0.90283%0.833SS**  trans-99.2135.5164-88.9-178.515100109.3
234H39.2Very low33.9Very low178 Ų178157.2 Ų157.282%0.82483%0.832SS**  trans-116.5117.6166.7-83.5-69.9000110.8
235R34.4Very low33.6Very low235 Ų235155 Ų15589%0.88782%0.823SS**  trans-66.3141.7171.6-86.9174164.2166.5-5.5111.9
236G32.6Very low33.6Very low78 Ų78151.3 Ų151.380%0.80482%0.82SS**  trans-69.4143.6166.800000113
237F29.6Very low33.2Very low193 Ų193150.7 Ų150.785%0.84682%0.816SS**  trans-106.2116.4170.2-102-95.6000108.8
238A30.1Very low33.1Very low98 Ų98150 Ų15081%0.8181%0.811SS**  trans-86.9128.9164.500000108.7
239L32.7Very low33.1Very low155 Ų155153.4 Ų153.481%0.81281%0.814SS**  trans-119.4107.6171.8-75.5168.2000109
240T39.6Very low32.8Very low130 Ų130151.5 Ų151.580%0.79881%0.81SS**  trans-90.6143.5155.3510000109.3
241P31.9Very low32.9Very low114 Ų114149.1 Ų149.174%0.7481%0.807SS**  trans-131.5119.5144.423.4-4.2000111
242Q29.6Very low32.4Very low176 Ų176151.9 Ų151.982%0.82281%0.808SS**  83102.386.2-75.8-171.428.900113.6
243H27.6Very low32.2Very low196 Ų196154.2 Ų154.291%0.90781%0.808SS**  trans-65.8137.7163.9-76.5-96.6000111
244Y30.3Very low32.1Very low223 Ų223152.6 Ų152.688%0.87581%0.805SS**  trans-122.5135.6157.447.4-90.3000108.5
245S30.9Very low31.8Very low103 Ų103151.6 Ų151.672%0.7281%0.805SS**  trans-131149.9-178.1570000109.7
246L30.1Very low31.7Very low161 Ų161151.7 Ų151.784%0.84381%0.805SS**  trans109.2150.5162.2-66.3151.9000115.5
247P37.1Very low31.9Very low108 Ų108153.1 Ų153.170%0.70180%0.801SS**  cis-132.1164.3-15.427.2-5.5000115
248A32.3Very low32Very low94 Ų94149.6 Ų149.678%0.77780%0.797SS**  trans-68128.8169.800000111.9
249H32Very low32.1Very low182 Ų182153.7 Ų153.784%0.84380%0.799SS**  trans-131.7117154.7-92.522.9000110.2
250A30.8Very low32.2Very low78 Ų78157.4 Ų157.465%0.64580%0.803SS**  trans61.2108.5137.600000118.1
251F32.2Very low31.7Very low190 Ų190158.9 Ų158.983%0.83381%0.806SS**  -179.396.791.2-106.7-89.7000109.8K253F251-K253 HydrophobicContact CD1-CB 4.49Å
252H31.4Very low31.6Very low183 Ų183161 Ų16185%0.84781%0.81SS**  trans-102.397152.6-150.1-97.5000106.2
253K29.5Very low31.5Very low170 Ų170159.9 Ų159.974%0.73981%0.809SS**  trans-155135.1160.5-133175.7-174.8-179.20109.5F251F251-K253 HydrophobicContact CD1-CB 4.49Å
254L30.4Very low31.6Very low160 Ų160159.2 Ų159.284%0.83880%0.803SS**  trans95.153.8167.9-46.3178.8000117
255L32.7Very low31.6Very low157 Ų157155 Ų15582%0.82280%0.795SS**  trans-91.992.8144.7-81.6166.6000109.3
256R32.2Very low31.6Very low236 Ų236155.5 Ų155.589%0.89179%0.794SS**  trans-179.4152.9134.3-104.3-167-129174.34.8111.4
257P36.6Very low31.5Very low109 Ų109155.9 Ų155.971%0.70880%0.795SS**  trans-89.3154.8-151.736.5-35.9000112.6
258P32.3Very low31Very low118 Ų118160 Ų16077%0.76680%0.802SS**  trans-96.9119.7154.518.20.5000110
259E32.6Very low31.1Very low184 Ų184164.2 Ų164.286%0.8681%0.806SS**  39.6129.5129.6-69.4174.3161.300120.6
260R33.7Very low30.9Very low233 Ų233160.1 Ų160.188%0.87980%0.797SS**  trans-90.5106-178-45.5174-168.6-146.8-0.1106.6L262R260-L262 PolarHBondContact O-N 2.9Å
261D29.6Very low31Very low162 Ų162162.7 Ų162.787%0.86681%0.805SS**  trans-76.9107167.9-81.8-26.5000109.6L263D261-L263 PolarHBondContact O-N 2.84Å
262L30.4Very low30.9Very low157 Ų157161.8 Ų161.882%0.82280%0.803SS**  trans-60.1114.8165.8-98.688.7000109.5R260 K264R260-L262 PolarHBondContact O-N 2.9Å; L262-K264 PolarHBondContact O-N 3.02Å
263L27.5Very low30.8Very low153 Ų153158 Ų15880%0.80180%0.797SS**  trans-75.193.5162.6-117.9132.2000109.1D261 I265D261-L263 PolarHBondContact O-N 2.84Å; L263-I265 HydrophobicContact CD2-CD1 4.23Å; L263-I265 HydrophobicContact CD2-CG1 3.91Å; L263-I265 PolarHBondContact O-N 3.48Å
264K29.2Very low31.1Very low182 Ų182155.4 Ų155.479%0.79180%0.8SS**  trans-80.691171.5-162.9175.6-172.6177.10108.4L262 T266L262-K264 PolarHBondContact O-N 3.02Å; K264-T266 PolarHBondContact O-N 2.94Å
265I30.9Very low31.9Very low135 Ų135151.3 Ų151.369%0.69280%0.797SS**  trans-84.7100.2170.7-50.7174.8000107.3L263 L267L263-I265 HydrophobicContact CD2-CD1 4.23Å; L263-I265 HydrophobicContact CD2-CG1 3.91Å; L263-I265 PolarHBondContact O-N 3.48Å; I265-L267 PolarHBondContact O-N 3.45Å
266T30.5Very low32.2Very low114 Ų114150 Ų15070%0.69980%0.795SS**  trans-74.1110.7167.847.60000108.9K264 K268K264-T266 PolarHBondContact O-N 2.94Å; T266-K268 PolarHBondContact O-N 2.84Å
267L27.6Very low32.9Very low168 Ų168146.8 Ų146.888%0.8880%0.795SS**  trans-69.1112.4167.4-82153.4000108.6I265 E269I265-L267 PolarHBondContact O-N 3.45Å; L267-E269 PolarHBondContact O-N 3.32Å
268K27.8Very low33.5Very low194 Ų194145 Ų14584%0.84378%0.782SS**  trans-81104.4169.6-169174.8-175.6177.30107.2T266 S270T266-K268 PolarHBondContact O-N 2.84Å; K268-S270 PolarHBondContact O-N 3.2Å; K268-S270 VanDerWaalsContact O-N 3.15Å
269E32.8Very low35Very low184 Ų184143.6 Ų143.686%0.8677%0.771SS**  trans-57.9117.3166.9-85.8-178.2150.400108.7L267L267-E269 PolarHBondContact O-N 3.32Å
270S28.6Very low36.1Very low95 Ų95142.5 Ų142.566%0.66477%0.765SS**  trans-109.999.1163.252.30000107.2K268 H272K268-S270 PolarHBondContact O-N 3.2Å; K268-S270 VanDerWaalsContact O-N 3.15Å; S270-H272 PolarHBondContact O-N 3.42Å
271V33Very low37.3Very low132 Ų132133.8 Ų133.880%0.875%0.748SS**  trans-64.1118168.4175.60000107.7
272H29.4Very low38.4Very low171 Ų171130.6 Ų130.679%0.79273%0.728SS**  trans-116.4131.9159.9-80.582.2000109.5S270S270-H272 PolarHBondContact O-N 3.42Å
273S29.8Very low39.7Very low104 Ų104128.4 Ų128.473%0.72772%0.717SS**  trans-70.6135.4-174.6-178.30000112.8
274S36.3Very low41.6Very low115 Ų115126.2 Ų126.280%0.80471%0.705SS**  trans31.4121.3139.3-36.40000120.3
275G45.6Very low43.3Very low74 Ų74121.3 Ų121.376%0.76369%0.692SS**  12583.3129.900000116.7
276V40.5Very low45.1Very low129 Ų129121.6 Ų121.678%0.78269%0.689SS**  trans-140.2119.4146.7-176.10000108.1V278V276-V278 PolarHBondContact O-N 2.03Å
277L46.8Very low47.2Very low170 Ų170117.9 Ų117.989%0.8967%0.674SS**  trans-68.496.3177.6-152.183.2000108.5T279L277-T279 PolarHBondContact O-N 3.41Å
278V49.4Very low49.5Very low71 Ų71115.4 Ų115.443%0.4366%0.659SS.*  trans-72.5114.4176.4-175.20000107.9V276 Q282 L283V276-V278 PolarHBondContact O-N 2.03Å; V278-Q282 HydrophobicContact CG1-CB 3.57Å; V278-L283 HydrophobicContact CB-CD1 4.08Å; V278-L283 HydrophobicContact CG1-CD1 3.72Å
279T62.8Low51.7Low89 Ų89111.1 Ų111.155%0.54665%0.645SS.*  trans-65.4146.817757.20000110.3L277 G281 Q282L277-T279 PolarHBondContact O-N 3.41Å; T279-G281 PolarHBondContact O-N 3.38Å; T279-Q282 PolarHBondContact O-N 2.88Å
280H56.6Low53.7Low160 Ų160105 Ų10574%0.74163%0.625SS**Hα-helixtrans-51.8-27.9-175.3-130.6-78000113.8I284H280-I284 WeakPolarHBondContact O-CG1 3.34Å; H280-I284 PolarHBondContact O-N 2.04Å
281G58.7Low56Low50 Ų50105.6 Ų105.652%0.51562%0.62SS.*Hα-helixtrans-70.7-31.1175.700000114.4T279 C285T279-G281 PolarHBondContact O-N 3.38Å; G281-C285 PolarHBondContact O-N 3.46Å
282Q51.9Low57.9Low96 Ų96104.3 Ų104.345%0.44961%0.609SS.*Hα-helixtrans-73.8-36.7176.4-71.5-171.3-51.800111.6V278 T279 I284 C285 F286V278-Q282 HydrophobicContact CG1-CB 3.57Å; T279-Q282 PolarHBondContact O-N 2.88Å; Q282-I284 VanDerWaalsContact C-N 3.33Å; Q282-I284 PolarHBondContact O-N 2.81Å; Q282-C285 PolarHBondContact O-N 2.9Å; Q282-F286 HydrophobicContact CB-CD2 4.36Å; Q282-F286 HydrophobicContact CB-CE2 4.24Å; Q282-F286 WeakPolarHBondContact O-CD2 3.35Å; Q282-F286 PolarHBondContact O-N 3.15Å
283L57.2Low60Low111 Ų11199.8 Ų99.858%0.58159%0.593SS**Hα-helixtrans-60.6-40.9173.5-101107.9000112.5V278 G287V278-L283 HydrophobicContact CB-CD1 4.08Å; V278-L283 HydrophobicContact CG1-CD1 3.72Å; L283-G287 PolarHBondContact O-N 3.24Å
284I68.8Low62.1Low107 Ų10797.9 Ų97.955%0.54958%0.579SS.*Hα-helixtrans-66.6-42177.8-64168.2000110.2H280 Q282 G287 M288H280-I284 WeakPolarHBondContact O-CG1 3.34Å; H280-I284 PolarHBondContact O-N 2.04Å; Q282-I284 VanDerWaalsContact C-N 3.33Å; Q282-I284 PolarHBondContact O-N 2.81Å; I284-G287 PolarHBondContact O-N 2.7Å; I284-M288 HydrophobicContact CG2-CG 4.41Å; I284-M288 VanDerWaalsContact O-CG 3.31Å; I284-M288 WeakPolarHBondContact O-CG 3.37Å; I284-M288 PolarHBondContact O-N 3.29Å
285C65.2Low63.8Low79 Ų7997.5 Ų97.553%0.53457%0.568SS.*Hα-helixtrans-65.9-43.1179.6-150.70000111.9G281 Q282 M288 L289G281-C285 PolarHBondContact O-N 3.46Å; Q282-C285 PolarHBondContact O-N 2.9Å; C285-M288 PolarHBondContact O-N 3.49Å; C285-L289 WeakPolarHBondContact O-CB 3.41Å; C285-L289 PolarHBondContact O-N 2.9Å
286F68.6Low65.3Low140 Ų14098.4 Ų98.461%0.61456%0.558SS**Hα-helixtrans-66.4-35.9174-74-62.2000112.6Q282 L289 A290Q282-F286 HydrophobicContact CB-CD2 4.36Å; Q282-F286 HydrophobicContact CB-CE2 4.24Å; Q282-F286 WeakPolarHBondContact O-CD2 3.35Å; Q282-F286 PolarHBondContact O-N 3.15Å; F286-L289 PolarHBondContact O-N 3.5Å; F286-A290 VanDerWaalsContact O-CB 3.29Å; F286-A290 WeakPolarHBondContact O-CB 3.43Å; F286-A290 PolarHBondContact O-N 2.84Å
287G74.5Confident66.8Low37 Ų3796.9 Ų96.938%0.38155%0.545SS..Hα-helixtrans-63.6-45.217400000112.7L283 I284 A290 L291L283-G287 PolarHBondContact O-N 3.24Å; I284-G287 PolarHBondContact O-N 2.7Å; G287-A290 PolarHBondContact O-N 3.32Å; G287-L291 PolarHBondContact O-N 3.31Å
288M75.8Confident68Low115 Ų11594.2 Ų94.257%0.56753%0.53SS*.Hα-helixtrans-67.2-39.5176.7-68.3-64.1-73.900111.9I284 C285 L291 L292I284-M288 HydrophobicContact CG2-CG 4.41Å; I284-M288 VanDerWaalsContact O-CG 3.31Å; I284-M288 WeakPolarHBondContact O-CG 3.37Å; I284-M288 PolarHBondContact O-N 3.29Å; C285-M288 PolarHBondContact O-N 3.49Å; M288-L291 PolarHBondContact O-N 3.01Å; M288-L292 WeakPolarHBondContact O-CB 3.46Å; M288-L292 WeakPolarHBondContact O-CG 3.31Å; M288-L292 PolarHBondContact O-N 2.91Å
289L74Confident69Low105 Ų10592.5 Ų92.555%0.5553%0.528SS..Hα-helixtrans-63.1-42.6174.3-122.590000111.5C285 F286 L292 T293C285-L289 WeakPolarHBondContact O-CB 3.41Å; C285-L289 PolarHBondContact O-N 2.9Å; F286-L289 PolarHBondContact O-N 3.5Å; L289-L292 PolarHBondContact O-N 3.34Å; L289-T293 WeakPolarHBondContact O-CG2 3.38Å; L289-T293 PolarHBondContact O-N 3.38Å; L289-T293 PolarHBondContact O-OG1 3.24Å
290A74.4Confident69.3Low55 Ų5591.8 Ų91.846%0.45552%0.523SS..Hα-helixtrans-66-36.4178.300000112.7F286 G287 T293 C294F286-A290 VanDerWaalsContact O-CB 3.29Å; F286-A290 WeakPolarHBondContact O-CB 3.43Å; F286-A290 PolarHBondContact O-N 2.84Å; G287-A290 PolarHBondContact O-N 3.32Å; A290-T293 WeakPolarHBondContact CA-OG1 3.33Å; A290-T293 PolarHBondContact O-OG1 2.01Å; A290-C294 VanDerWaalsContact O-CB 3.24Å; A290-C294 WeakPolarHBondContact O-CB 2.7Å; A290-C294 PolarHBondContact O-N 2.84Å
291L76.3Confident69.6Low107 Ų10787.7 Ų87.756%0.5651%0.51SS*.Hα-helixtrans-67.7-42.9174.9-118.5155.8000111.5G287 M288 C294 L295G287-L291 PolarHBondContact O-N 3.31Å; M288-L291 PolarHBondContact O-N 3.01Å; L291-C294 PolarHBondContact O-N 2.85Å; L291-L295 HydrophobicContact CD2-CD1 4.45Å; L291-L295 WeakPolarHBondContact O-CG 3.38Å; L291-L295 PolarHBondContact O-N 2.94Å
292L74.3Confident69.7Low106 Ų10686.6 Ų86.656%0.55550%0.498SS*.Hα-helixtrans-65.6-42.2176.4-73.1169.4000111.8M288 L289 C294 L295 V296M288-L292 WeakPolarHBondContact O-CB 3.46Å; M288-L292 WeakPolarHBondContact O-CG 3.31Å; M288-L292 PolarHBondContact O-N 2.91Å; L289-L292 PolarHBondContact O-N 3.34Å; L292-C294 VanDerWaalsContact C-N 3.34Å; L292-L295 PolarHBondContact O-N 3.13Å; L292-V296 VanDerWaalsContact O-CG2 3.27Å; L292-V296 WeakPolarHBondContact O-CG2 3.31Å; L292-V296 PolarHBondContact O-N 2.99Å
293T72.7Confident70.1Confident75 Ų7588 Ų8846%0.4651%0.508SS..Hα-helixtrans-65.9-37.7174.756.50000111.6L289 A290 V296 I297L289-T293 WeakPolarHBondContact O-CG2 3.38Å; L289-T293 PolarHBondContact O-N 3.38Å; L289-T293 PolarHBondContact O-OG1 3.24Å; A290-T293 WeakPolarHBondContact CA-OG1 3.33Å; A290-T293 PolarHBondContact O-OG1 2.01Å; T293-V296 PolarHBondContact O-N 2.83Å; T293-I297 WeakPolarHBondContact O-CB 3.41Å; T293-I297 WeakPolarHBondContact O-CD1 3.19Å; T293-I297 WeakPolarHBondContact O-CG1 3.27Å; T293-I297 PolarHBondContact O-N 2.87Å
294C73.3Confident70.1Confident65 Ų6587 Ų8744%0.43951%0.506SS..Hα-helixtrans-64.5-42.5175.7-161.30000112.1A290 L291 L292 I297 L298A290-C294 VanDerWaalsContact O-CB 3.24Å; A290-C294 WeakPolarHBondContact O-CB 2.7Å; A290-C294 PolarHBondContact O-N 2.84Å; L291-C294 PolarHBondContact O-N 2.85Å; L292-C294 VanDerWaalsContact C-N 3.34Å; C294-I297 PolarHBondContact O-N 3.09Å; C294-L298 WeakPolarHBondContact O-CB 3.25Å; C294-L298 VanDerWaalsContact O-CG 3.31Å; C294-L298 WeakPolarHBondContact O-CG 3.36Å; C294-L298 PolarHBondContact O-N 3.11Å
295L72.6Confident69.4Low107 Ų10789.8 Ų89.856%0.5651%0.514SS*.Hα-helixtrans-64.4-39.6175.1-73.3170.6000112.4L291 L292 G299L291-L295 HydrophobicContact CD2-CD1 4.45Å; L291-L295 WeakPolarHBondContact O-CG 3.38Å; L291-L295 PolarHBondContact O-N 2.94Å; L292-L295 PolarHBondContact O-N 3.13Å; L295-G299 PolarHBondContact O-N 3.4Å
296V76.9Confident68.8Low92 Ų9293.6 Ų93.656%0.55852%0.522SS*.Hα-helixtrans-68.1-39.8175.6172.40000111.1L292 T293 G299 T300L292-V296 VanDerWaalsContact O-CG2 3.27Å; L292-V296 WeakPolarHBondContact O-CG2 3.31Å; L292-V296 PolarHBondContact O-N 2.99Å; T293-V296 PolarHBondContact O-N 2.83Å; V296-G299 PolarHBondContact O-N 2.98Å; V296-T300 HydrophobicContact CG1-CG2 4.29Å; V296-T300 WeakPolarHBondContact O-CB 3.23Å; V296-T300 VanDerWaalsContact O-CG2 3.29Å; V296-T300 WeakPolarHBondContact O-CG2 3.09Å; V296-T300 PolarHBondContact O-N 3.32Å; V296-T300 PolarHBondContact O-OG1 3.33Å
297I72.9Confident67.9Low98 Ų9888.6 Ų88.650%0.50351%0.51SS..Hα-helixtrans-66.6-44176.4-68.7164000110.4T293 C294 T300 T301T293-I297 WeakPolarHBondContact O-CB 3.41Å; T293-I297 WeakPolarHBondContact O-CD1 3.19Å; T293-I297 WeakPolarHBondContact O-CG1 3.27Å; T293-I297 PolarHBondContact O-N 2.87Å; C294-I297 PolarHBondContact O-N 3.09Å; I297-T300 PolarHBondContact O-N 3.27Å; I297-T300 PolarHBondContact O-OG1 2.86Å; I297-T301 HydrophobicContact CG2-CG2 4.17Å; I297-T301 VanDerWaalsContact O-CB 3.27Å; I297-T301 WeakPolarHBondContact O-CB 3.45Å; I297-T301 VanDerWaalsContact O-CG2 3.22Å; I297-T301 WeakPolarHBondContact O-CG2 3.22Å; I297-T301 PolarHBondContact O-N 3.33Å; I297-T301 PolarHBondContact O-OG1 3.33Å
298L70.9Confident66.9Low113 Ų11395.9 Ų95.959%0.59253%0.526SS*.Hα-helixtrans-66.1-38176.4-71.5170.8000112.2C294 T301 G302C294-L298 WeakPolarHBondContact O-CB 3.25Å; C294-L298 VanDerWaalsContact O-CG 3.31Å; C294-L298 WeakPolarHBondContact O-CG 3.36Å; C294-L298 PolarHBondContact O-N 3.11Å; L298-T301 WeakPolarHBondContact CA-OG1 3.45Å; L298-T301 PolarHBondContact O-OG1 3.46Å; L298-G302 PolarHBondContact O-N 2.65Å
299G71.3Confident65.6Low36 Ų3693.6 Ų93.637%0.37152%0.52SS..Hα-helixtrans-66.5-46.4174.800000112.9L295 V296 G302 I303L295-G299 PolarHBondContact O-N 3.4Å; V296-G299 PolarHBondContact O-N 2.98Å; G299-G302 PolarHBondContact O-N 3.26Å; G299-I303 WeakPolarHBondContact O-CD1 3.45Å; G299-I303 WeakPolarHBondContact O-CG1 3.22Å; G299-I303 PolarHBondContact O-N 3.28Å
300T69.1Low64.6Low74 Ų7495.6 Ų95.645%0.45453%0.527SS..Hα-helixtrans-72.8-39.4-179.352.20000112.5V296 I297 I303 V304V296-T300 HydrophobicContact CG1-CG2 4.29Å; V296-T300 WeakPolarHBondContact O-CB 3.23Å; V296-T300 VanDerWaalsContact O-CG2 3.29Å; V296-T300 WeakPolarHBondContact O-CG2 3.09Å; V296-T300 PolarHBondContact O-N 3.32Å; V296-T300 PolarHBondContact O-OG1 3.33Å; I297-T300 PolarHBondContact O-N 3.27Å; I297-T300 PolarHBondContact O-OG1 2.86Å; T300-I303 PolarHBondContact O-N 3.29Å; T300-V304 VanDerWaalsContact O-CG2 3.25Å; T300-V304 WeakPolarHBondContact O-CG2 3.27Å; T300-V304 PolarHBondContact O-N 3.4Å
301T62.3Low63.7Low74 Ų7497.1 Ų97.145%0.45453%0.531SS..Hα-helixtrans-65.8-38.3172.354.70000111.5I297 L298 V304 F305I297-T301 HydrophobicContact CG2-CG2 4.17Å; I297-T301 VanDerWaalsContact O-CB 3.27Å; I297-T301 WeakPolarHBondContact O-CB 3.45Å; I297-T301 VanDerWaalsContact O-CG2 3.22Å; I297-T301 WeakPolarHBondContact O-CG2 3.22Å; I297-T301 PolarHBondContact O-N 3.33Å; I297-T301 PolarHBondContact O-OG1 3.33Å; L298-T301 WeakPolarHBondContact CA-OG1 3.45Å; L298-T301 PolarHBondContact O-OG1 3.46Å; T301-V304 PolarHBondContact O-N 3.25Å; T301-F305 WeakPolarHBondContact O-CB 3.09Å; T301-F305 PolarHBondContact O-N 2.96Å
302G60.3Low62.7Low27 Ų27100.7 Ų100.728%0.27854%0.537SS..Hα-helixtrans-60-48172.200000112.9L298 G299 V304 F305 F306L298-G302 PolarHBondContact O-N 2.65Å; G299-G302 PolarHBondContact O-N 3.26Å; G302-V304 PolarHBondContact O-N 3.42Å; G302-F305 PolarHBondContact O-N 2.93Å; G302-F306 WeakPolarHBondContact O-CD2 3.28Å; G302-F306 PolarHBondContact O-N 3.47Å
303I60.9Low61.7Low126 Ų126100.2 Ų100.265%0.64653%0.534SS*.Hα-helixtrans-64-40.9178.6-67.4161.9000111.5G299 T300 G307G299-I303 WeakPolarHBondContact O-CD1 3.45Å; G299-I303 WeakPolarHBondContact O-CG1 3.22Å; G299-I303 PolarHBondContact O-N 3.28Å; T300-I303 PolarHBondContact O-N 3.29Å; I303-G307 PolarHBondContact O-N 2.88Å
304V57.7Low60.8Low90 Ų9099.5 Ų99.555%0.54554%0.536SS..Hα-helixtrans-67.6-36.7176.4174.20000111.2T300 T301 G302 R308T300-V304 VanDerWaalsContact O-CG2 3.25Å; T300-V304 WeakPolarHBondContact O-CG2 3.27Å; T300-V304 PolarHBondContact O-N 3.4Å; T301-V304 PolarHBondContact O-N 3.25Å; G302-V304 PolarHBondContact O-N 3.42Å; V304-R308 WeakPolarHBondContact O-CB 3.29Å; V304-R308 WeakPolarHBondContact O-CG 3.24Å; V304-R308 PolarHBondContact O-N 3.49Å
305F52.8Low59.8Low164 Ų164101.8 Ų101.872%0.71954%0.544SS*.Hα-helixtrans-70.1-41.9177.3-140.6-89.6000111.9T301 G302 R308 C309T301-F305 WeakPolarHBondContact O-CB 3.09Å; T301-F305 PolarHBondContact O-N 2.96Å; G302-F305 PolarHBondContact O-N 2.93Å; F305-R308 PolarHBondContact O-N 3.24Å; F305-C309 WeakPolarHBondContact O-CB 3.16Å; F305-C309 PolarHBondContact O-N 2.9Å
306F52.6Low59Low160 Ų16098.3 Ų98.370%0.70253%0.531SS*.Hα-helixtrans-62.9-44.4173.7-93.5-83000111.6G302 R308 C309 E310G302-F306 WeakPolarHBondContact O-CD2 3.28Å; G302-F306 PolarHBondContact O-N 3.47Å; F306-R308 VanDerWaalsContact C-N 3.33Å; F306-R308 PolarHBondContact O-N 3.45Å; F306-C309 PolarHBondContact O-N 3Å; F306-C309 VanDerWaalsContact O-N 3.13Å; F306-E310 PolarHBondContact O-N 3.29Å
307G50.5Low58.1Low35 Ų35101.3 Ų101.336%0.36154%0.536SS..Hα-helixtrans-63.3-35.5175.400000113.5I303 T311I303-G307 PolarHBondContact O-N 2.88Å; G307-T311 WeakPolarHBondContact O-CG2 3.34Å; G307-T311 PolarHBondContact O-N 2.85Å; G307-T311 VanDerWaalsContact O-N 3.15Å; G307-T311 PolarHBondContact O-OG1 2.87Å
308R52.5Low57.4Low189 Ų189104.1 Ų104.171%0.71354%0.542SS*.Hα-helixtrans-73.2-29.9172.7-75.3-161.4175.6-168.20.6113.2V304 F305 F306 T311 W312V304-R308 WeakPolarHBondContact O-CB 3.29Å; V304-R308 WeakPolarHBondContact O-CG 3.24Å; V304-R308 PolarHBondContact O-N 3.49Å; F305-R308 PolarHBondContact O-N 3.24Å; F306-R308 VanDerWaalsContact C-N 3.33Å; F306-R308 PolarHBondContact O-N 3.45Å; R308-T311 VanDerWaalsContact CA-OG1 3.31Å; R308-T311 WeakPolarHBondContact CA-OG1 3.27Å; R308-T311 PolarHBondContact O-OG1 3.45Å; R308-T311 VanDerWaalsContact O-OG1 3.11Å; R308-W312 WeakPolarHBondContact O-CB 3.41Å; R308-W312 PolarHBondContact O-N 3.23Å
309C48.6Very low56.8Low67 Ų67101.1 Ų101.145%0.45353%0.53SS..Hα-helixtrans-72.3-42.3175.2-156.40000111.3F305 F306 W312 L313F305-C309 WeakPolarHBondContact O-CB 3.16Å; F305-C309 PolarHBondContact O-N 2.9Å; F306-C309 PolarHBondContact O-N 3Å; F306-C309 VanDerWaalsContact O-N 3.13Å; C309-W312 PolarHBondContact O-N 2.72Å; C309-L313 WeakPolarHBondContact O-CB 3.37Å; C309-L313 PolarHBondContact O-N 3.3Å
310E52.8Low56.3Low148 Ų148105.6 Ų105.669%0.69254%0.541SS*.Hα-helixtrans-64.4-42.9175.6-71.8-155.615200112.5F306 W312 L313 A314F306-E310 PolarHBondContact O-N 3.29Å; E310-W312 VanDerWaalsContact C-N 3.34Å; E310-W312 PolarHBondContact O-N 2.64Å; E310-L313 PolarHBondContact O-N 3.46Å; E310-A314 WeakPolarHBondContact O-CB 3.39Å; E310-A314 PolarHBondContact O-N 2.86Å
311T55.8Low55.9Low86 Ų86106.8 Ų106.853%0.52854%0.544SS..Hα-helixtrans-66.9-34.3175.448.10000112.4G307 R308 N315G307-T311 WeakPolarHBondContact O-CG2 3.34Å; G307-T311 PolarHBondContact O-N 2.85Å; G307-T311 VanDerWaalsContact O-N 3.15Å; G307-T311 PolarHBondContact O-OG1 2.87Å; R308-T311 VanDerWaalsContact CA-OG1 3.31Å; R308-T311 WeakPolarHBondContact CA-OG1 3.27Å; R308-T311 PolarHBondContact O-OG1 3.45Å; R308-T311 VanDerWaalsContact O-OG1 3.11Å; T311-N315 WeakPolarHBondContact O-CB 3.34Å; T311-N315 PolarHBondContact O-N 2.84Å
312W55.2Low56Low183 Ų183106.8 Ų106.869%0.69354%0.544SS*.Hα-helixtrans-69.3-40.4173-164.288.5000112.2R308 C309 E310 A314 N315 A316R308-W312 WeakPolarHBondContact O-CB 3.41Å; R308-W312 PolarHBondContact O-N 3.23Å; C309-W312 PolarHBondContact O-N 2.72Å; E310-W312 VanDerWaalsContact C-N 3.34Å; E310-W312 PolarHBondContact O-N 2.64Å; W312-A314 VanDerWaalsContact C-N 3.34Å; W312-A314 PolarHBondContact O-N 2.64Å; W312-N315 PolarHBondContact O-N 2.96Å; W312-A316 WeakPolarHBondContact O-CB 3.21Å; W312-A316 PolarHBondContact O-N 3.49Å
313L53.5Low56.2Low95 Ų95113.3 Ų113.350%0.49756%0.56SS.*Hα-helixtrans-64.3-39175.1-13291.1000111.8C309 E310 A316 K317C309-L313 WeakPolarHBondContact O-CB 3.37Å; C309-L313 PolarHBondContact O-N 3.3Å; E310-L313 PolarHBondContact O-N 3.46Å; L313-A316 PolarHBondContact O-N 3.22Å; L313-K317 PolarHBondContact O-N 3.43Å
314A54.2Low56.6Low60 Ų60113.7 Ų113.750%0.49656%0.559SS.*Hα-helixtrans-65.4-44.7174.700000111.7E310 W312 A316 K317 Y318E310-A314 WeakPolarHBondContact O-CB 3.39Å; E310-A314 PolarHBondContact O-N 2.86Å; W312-A314 VanDerWaalsContact C-N 3.34Å; W312-A314 PolarHBondContact O-N 2.64Å; A314-A316 VanDerWaalsContact C-N 3.35Å; A314-A316 PolarHBondContact O-N 2.82Å; A314-K317 PolarHBondContact O-N 3.43Å; A314-Y318 WeakPolarHBondContact O-CB 3.14Å; A314-Y318 PolarHBondContact O-N 2.95Å
315N51.7Low56.9Low114 Ų114115.2 Ų115.261%0.6156%0.561SS**Hα-helixtrans-64.5-36.8174.5-95.2-7.9000112.7T311 W312 Y318 S319T311-N315 WeakPolarHBondContact O-CB 3.34Å; T311-N315 PolarHBondContact O-N 2.84Å; W312-N315 PolarHBondContact O-N 2.96Å; N315-Y318 PolarHBondContact O-N 2.98Å; N315-S319 WeakPolarHBondContact O-CB 3.44Å; N315-S319 PolarHBondContact O-N 3.17Å
316A57.3Low57.5Low34 Ų34115.8 Ų115.828%0.28156%0.558SS.*Hα-helixtrans-64.2-46.6175.100000111.3W312 L313 A314 Y318 S319 Q320W312-A316 WeakPolarHBondContact O-CB 3.21Å; W312-A316 PolarHBondContact O-N 3.49Å; L313-A316 PolarHBondContact O-N 3.22Å; A314-A316 VanDerWaalsContact C-N 3.35Å; A314-A316 PolarHBondContact O-N 2.82Å; A316-Y318 PolarHBondContact O-N 2.86Å; A316-S319 PolarHBondContact O-N 3.4Å; A316-S319 PolarHBondContact O-OG 3.37Å; A316-Q320 PolarHBondContact O-N 3.25Å; A316-Q320 VanDerWaalsContact O-N 3.07Å
317K56.1Low58.2Low154 Ų154113.7 Ų113.767%0.6755%0.55SS**Hα-helixtrans-61.4-42.7174.6-81-174.7175.7-177.90112.4L313 A314 S319 Q320 L321L313-K317 PolarHBondContact O-N 3.43Å; A314-K317 PolarHBondContact O-N 3.43Å; K317-S319 PolarHBondContact O-N 2.92Å; K317-Q320 PolarHBondContact O-N 3.34Å; K317-L321 PolarHBondContact O-N 3.33Å
318Y59Low58.9Low158 Ų158117.2 Ų117.262%0.6256%0.557SS**Hα-helixtrans-61.1-44.4175.7-174.6-99.3000111.8A314 N315 A316 Q320 L321 V322A314-Y318 WeakPolarHBondContact O-CB 3.14Å; A314-Y318 PolarHBondContact O-N 2.95Å; N315-Y318 PolarHBondContact O-N 2.98Å; A316-Y318 PolarHBondContact O-N 2.86Å; Y318-Q320 VanDerWaalsContact C-N 3.28Å; Y318-Q320 PolarHBondContact O-N 3.05Å; Y318-L321 PolarHBondContact O-N 3.44Å; Y318-V322 HydrophobicContact CD1-CG2 4.1Å; Y318-V322 HydrophobicContact CE1-CG2 3.75Å; Y318-V322 WeakPolarHBondContact O-CG2 3.46Å; Y318-V322 PolarHBondContact O-N 3.35Å
319S57.6Low59.1Low50 Ų50113.4 Ų113.435%0.3555%0.55SS.*Hα-helixtrans-62.5-33.5177.578.80000113.1N315 A316 K317 R323N315-S319 WeakPolarHBondContact O-CB 3.44Å; N315-S319 PolarHBondContact O-N 3.17Å; A316-S319 PolarHBondContact O-N 3.4Å; A316-S319 PolarHBondContact O-OG 3.37Å; K317-S319 PolarHBondContact O-N 2.92Å; S319-R323 WeakPolarHBondContact O-CG 3.32Å; S319-R323 PolarHBondContact O-N 2.99Å; S319-R323 VanDerWaalsContact O-N 3.13Å
320Q60.7Low59.5Low130 Ų130115.2 Ų115.261%0.60756%0.555SS**Hα-helixtrans-72.2-40.8175-71.1-145.7-36.100112.1A316 K317 Y318 V322 R323 Q324A316-Q320 PolarHBondContact O-N 3.25Å; A316-Q320 VanDerWaalsContact O-N 3.07Å; K317-Q320 PolarHBondContact O-N 3.34Å; Y318-Q320 VanDerWaalsContact C-N 3.28Å; Y318-Q320 PolarHBondContact O-N 3.05Å; Q320-V322 VanDerWaalsContact C-N 3.34Å; Q320-V322 PolarHBondContact O-N 2.94Å; Q320-R323 PolarHBondContact O-N 3.45Å; Q320-Q324 PolarHBondContact O-N 2.99Å
321L62.7Low60Low99 Ų99117.9 Ų117.952%0.51856%0.559SS.*Hα-helixtrans-60.8-44.9175.9-150.787.4000111.1K317 Y318 R323 Q324 Q325K317-L321 PolarHBondContact O-N 3.33Å; Y318-L321 PolarHBondContact O-N 3.44Å; L321-R323 VanDerWaalsContact C-N 3.32Å; L321-R323 PolarHBondContact O-N 3.42Å; L321-Q324 PolarHBondContact O-N 2.93Å; L321-Q325 WeakPolarHBondContact O-CB 3.47Å; L321-Q325 PolarHBondContact O-N 3.49Å
322V62.6Low60Low73 Ų73118.5 Ų118.544%0.44256%0.555SS.*Hα-helixtrans-63.2-37.3176.9173.30000111.7Y318 Q320 R326Y318-V322 HydrophobicContact CD1-CG2 4.1Å; Y318-V322 HydrophobicContact CE1-CG2 3.75Å; Y318-V322 WeakPolarHBondContact O-CG2 3.46Å; Y318-V322 PolarHBondContact O-N 3.35Å; Q320-V322 VanDerWaalsContact C-N 3.34Å; Q320-V322 PolarHBondContact O-N 2.94Å; V322-R326 WeakPolarHBondContact O-CB 3.29Å; V322-R326 PolarHBondContact O-N 3Å
323R65.8Low60Low164 Ų164113.2 Ų113.262%0.61955%0.551SS**Hα-helixtrans-68-44.5175.6-76.3178.8-171.2179.93.7112.2S319 Q320 L321 Q325 R326 E327S319-R323 WeakPolarHBondContact O-CG 3.32Å; S319-R323 PolarHBondContact O-N 2.99Å; S319-R323 VanDerWaalsContact O-N 3.13Å; Q320-R323 PolarHBondContact O-N 3.45Å; L321-R323 VanDerWaalsContact C-N 3.32Å; L321-R323 PolarHBondContact O-N 3.42Å; R323-Q325 VanDerWaalsContact C-N 3.31Å; R323-Q325 PolarHBondContact O-N 3Å; R323-R326 PolarHBondContact O-N 3.4Å; R323-E327 WeakPolarHBondContact O-CG 3.42Å; R323-E327 PolarHBondContact O-N 2.9Å
324Q68.3Low59.9Low134 Ų134112 Ų11263%0.62656%0.562SS**Hα-helixtrans-61.9-40.5176.7-76.2-172.5-39.200111.9Q320 L321 E327 H328Q320-Q324 PolarHBondContact O-N 2.99Å; L321-Q324 PolarHBondContact O-N 2.93Å; Q324-E327 PolarHBondContact O-N 3Å; Q324-H328 PolarHBondContact O-N 3.37Å
325Q64.6Low59.7Low123 Ų123113.9 Ų113.958%0.57557%0.571SS**Hα-helixtrans-70.6-36.4179.3-153.4146.8-14.800111.9L321 R323 H328 L329L321-Q325 WeakPolarHBondContact O-CB 3.47Å; L321-Q325 PolarHBondContact O-N 3.49Å; R323-Q325 VanDerWaalsContact C-N 3.31Å; R323-Q325 PolarHBondContact O-N 3Å; Q325-H328 PolarHBondContact O-N 3.38Å; Q325-L329 VanDerWaalsContact O-CG 3.31Å; Q325-L329 WeakPolarHBondContact O-CG 3.36Å; Q325-L329 PolarHBondContact O-N 3.33Å
326R65.3Low59.3Low175 Ų175111.9 Ų111.966%0.6657%0.571SS**Hα-helixtrans-63.5-41.9171.4-170.6-179.3-167.8-135.33.3112.1V322 R323 L329 L330V322-R326 WeakPolarHBondContact O-CB 3.29Å; V322-R326 PolarHBondContact O-N 3Å; R323-R326 PolarHBondContact O-N 3.4Å; R326-L329 PolarHBondContact O-N 3.38Å; R326-L330 HydrophobicContact CG-CD1 4.07Å; R326-L330 WeakPolarHBondContact O-CB 3.38Å; R326-L330 VanDerWaalsContact O-CG 3.22Å; R326-L330 WeakPolarHBondContact O-CG 3.34Å; R326-L330 PolarHBondContact O-N 3.19Å
327E68.3Low58.7Low116 Ų116115.7 Ų115.754%0.54260%0.595SS.*Hα-helixtrans-67.3-35.4176.9-74.7175.9-171.800112.4R323 Q324 R331R323-E327 WeakPolarHBondContact O-CG 3.42Å; R323-E327 PolarHBondContact O-N 2.9Å; Q324-E327 PolarHBondContact O-N 3Å; E327-R331 WeakPolarHBondContact O-CB 3.31Å; E327-R331 WeakPolarHBondContact O-CG 3.45Å; E327-R331 PolarHBondContact O-N 3.48Å
328H65.1Low58.1Low110 Ų110117.2 Ų117.251%0.50960%0.604SS.*Hα-helixtrans-63.2-49.4172.9-165.1-83.3000111.7Q324 Q325 L330 R331 E332Q324-H328 PolarHBondContact O-N 3.37Å; Q325-H328 PolarHBondContact O-N 3.38Å; H328-L330 VanDerWaalsContact C-N 3.31Å; H328-L330 PolarHBondContact O-N 2.92Å; H328-R331 PolarHBondContact O-N 3.08Å; H328-R331 VanDerWaalsContact O-N 3.11Å; H328-E332 IonicContact CE1-OE1 3.28Å; H328-E332 PolarHBondContact CE1-OE1 3.31Å; H328-E332 IonicContact CE1-OE2 3.14Å; H328-E332 VanDerWaalsContact ND1-CD 3.31Å; H328-E332 IonicContact ND1-OE1 3.37Å; H328-E332 IonicContact ND1-OE2 3.52Å; H328-E332 PolarHBondContact ND1-OE2 3.39Å; H328-E332 PolarHBondContact O-N 3.3Å
329L55.9Low57.1Low108 Ų108118.8 Ų118.857%0.56562%0.617SS**Hα-helixtrans-62.9-36.4177.9-69.7169.7000112.4Q325 R326 A333Q325-L329 VanDerWaalsContact O-CG 3.31Å; Q325-L329 WeakPolarHBondContact O-CG 3.36Å; Q325-L329 PolarHBondContact O-N 3.33Å; R326-L329 PolarHBondContact O-N 3.38Å; L329-A333 VanDerWaalsContact O-CB 3.28Å; L329-A333 WeakPolarHBondContact O-CB 3.49Å; L329-A333 PolarHBondContact O-N 2.91Å
330L58.1Low56.4Low106 Ų106125.8 Ų125.856%0.55565%0.645SS**Hα-helixtrans-71.2-30175.2-72170000112.7R326 H328 G334R326-L330 HydrophobicContact CG-CD1 4.07Å; R326-L330 WeakPolarHBondContact O-CB 3.38Å; R326-L330 VanDerWaalsContact O-CG 3.22Å; R326-L330 WeakPolarHBondContact O-CG 3.34Å; R326-L330 PolarHBondContact O-N 3.19Å; H328-L330 VanDerWaalsContact C-N 3.31Å; H328-L330 PolarHBondContact O-N 2.92Å; L330-G334 PolarHBondContact O-N 3.43Å
331R62.7Low55.2Low203 Ų203123.7 Ų123.777%0.76664%0.643SS**Hα-helixtrans-72.7-39.2172.9-79.7179.5177.6179.71.4112.1E327 H328 G334E327-R331 WeakPolarHBondContact O-CB 3.31Å; E327-R331 WeakPolarHBondContact O-CG 3.45Å; E327-R331 PolarHBondContact O-N 3.48Å; H328-R331 PolarHBondContact O-N 3.08Å; H328-R331 VanDerWaalsContact O-N 3.11Å; R331-G334 PolarHBondContact O-N 3.43Å
332E56.3Low53.9Low99 Ų99128.5 Ų128.546%0.46366%0.662SS.*Hα-helixtrans-65.6-44.8174.1-73.2174.6141.500111H328 G334 S335H328-E332 IonicContact CE1-OE1 3.28Å; H328-E332 PolarHBondContact CE1-OE1 3.31Å; H328-E332 IonicContact CE1-OE2 3.14Å; H328-E332 VanDerWaalsContact ND1-CD 3.31Å; H328-E332 IonicContact ND1-OE1 3.37Å; H328-E332 IonicContact ND1-OE2 3.52Å; H328-E332 PolarHBondContact ND1-OE2 3.39Å; H328-E332 PolarHBondContact O-N 3.3Å; E332-G334 VanDerWaalsContact C-N 3.28Å; E332-G334 PolarHBondContact O-N 2.94Å; E332-S335 PolarHBondContact O-N 3.48Å; E332-S335 VanDerWaalsContact O-N 3.17Å; E332-S335 PolarHBondContact O-OG 2.92Å
333A53.7Low52.6Low72 Ų72132.3 Ų132.360%0.59568%0.675SS**Hα-helixtrans-65.8-26175.900000114L329 S335L329-A333 VanDerWaalsContact O-CB 3.28Å; L329-A333 WeakPolarHBondContact O-CB 3.49Å; L329-A333 PolarHBondContact O-N 2.91Å; A333-S335 VanDerWaalsContact C-N 3.28Å; A333-S335 PolarHBondContact O-N 3.42Å
334G52.3Low50.9Low71 Ų71129.7 Ų129.773%0.73268%0.682SS**THydrogen-bonded Turntrans-77.2-8.6175.400000114.8L330 R331 E332L330-G334 PolarHBondContact O-N 3.43Å; R331-G334 PolarHBondContact O-N 3.43Å; E332-G334 VanDerWaalsContact C-N 3.28Å; E332-G334 PolarHBondContact O-N 2.94Å
335S50.3Low49.2Very low99 Ų99128.7 Ų128.769%0.69269%0.685SS**SBendtrans-112.4-2.8-177.570.50000114.7E332 A333E332-S335 PolarHBondContact O-N 3.48Å; E332-S335 VanDerWaalsContact O-N 3.17Å; E332-S335 PolarHBondContact O-OG 2.92Å; A333-S335 VanDerWaalsContact C-N 3.28Å; A333-S335 PolarHBondContact O-N 3.42Å
336A43.7Very low47.6Very low72 Ų72130 Ų13060%0.59570%0.695SS**  trans-117.8100.1-178.400000110.8Q338A336-Q338 PolarHBondContact O-N 3.26Å
337S43.4Very low46.1Very low113 Ų113128.1 Ų128.179%0.7970%0.697SS**  trans-64.9119158.544.80000109.6
338Q44.7Very low44.5Very low186 Ų186130.2 Ų130.287%0.86971%0.711SS**SBendtrans51.693.4159.8-76.5176.9-40.500118A336A336-Q338 PolarHBondContact O-N 3.26Å
339E38Very low43.1Very low191 Ų191131.5 Ų131.589%0.89372%0.72SS**  -174.2134.9120.7-107.4172.6162.600108P341E339-P341 WeakPolarHBondContact O-CD 3.03Å
340E43.1Very low42Very low197 Ų197132 Ų13292%0.92173%0.73SS**  trans-87.8121.7-175.2-169.5-179.7-156.500109.6
341P35.3Very low41.2Very low87 Ų87136.3 Ų136.357%0.56575%0.747SS**  trans-112126.6164.74.919.2000109.6E339 H343E339-P341 WeakPolarHBondContact O-CD 3.03Å; P341-H343 PolarHBondContact O-N 3.17Å; P341-H343 PolarHBondContact O-ND1 3.41Å
342E35.2Very low39.9Very low200 Ų200136.1 Ų136.194%0.93575%0.752SS**  trans-53.8107.5164.6-80.2-176.113400110
343H33.9Very low38.9Very low152 Ų152138.4 Ų138.470%0.70477%0.766SS**  trans-9495.9170.1-74.361.5000109P341 V345P341-H343 PolarHBondContact O-N 3.17Å; P341-H343 PolarHBondContact O-ND1 3.41Å; H343-V345 PolarHBondContact O-N 2.9Å
344S30.9Very low37.8Very low109 Ų109146.9 Ų146.976%0.76278%0.783SS**  trans-78.1111.4161.754.80000108.7
345V31.9Very low36.9Very low114 Ų114151.2 Ų151.269%0.69179%0.788SS**  trans-94104.8176.6-179.50000108.6H343 I347H343-V345 PolarHBondContact O-N 2.9Å; V345-I347 HydrophobicContact CG1-CG1 4.21Å; V345-I347 PolarHBondContact O-N 3.15Å
346N31.1Very low36.1Very low149 Ų149151.6 Ų151.680%0.79779%0.791SS**  trans-75.3109.3168.1-82.9-27.3000109.5I348N346-I348 PolarHBondContact O-N 3.27Å
347I33.8Very low35.9Very low137 Ų137152.9 Ų152.970%0.70380%0.796SS**  trans-85.7108.2174.6-56.4174.4000108.1V345 L349V345-I347 HydrophobicContact CG1-CG1 4.21Å; V345-I347 PolarHBondContact O-N 3.15Å; I347-L349 HydrophobicContact CG2-CD1 4.11Å; I347-L349 PolarHBondContact O-N 2.85Å
348I35Very low35.5Very low160 Ų160157.8 Ų157.882%0.82180%0.803SS**  trans-83110.1168.1-60.6173.7000107.4N346N346-I348 PolarHBondContact O-N 3.27Å
349L35Very low34.8Very low136 Ų136152 Ų15271%0.71279%0.793SS**  trans-75.1138172.2-81.485.7000110.3I347 E351I347-L349 HydrophobicContact CG2-CD1 4.11Å; I347-L349 PolarHBondContact O-N 2.85Å; L349-E351 PolarHBondContact O-N 3.33Å
350P33.7Very low34.7Very low120 Ų120153.7 Ų153.778%0.77979%0.792SS**  trans-68130.5168.625.8-29.8000110.8K352P350-K352 PolarHBondContact O-N 2.95Å
351E42.3Very low34.1Very low195 Ų195152.7 Ų152.791%0.91179%0.787SS**SBendtrans-68.978.2-174.6-166.2-178.5-154.800112L349L349-E351 PolarHBondContact O-N 3.33Å
352K34.6Very low33.9Very low199 Ų199159.4 Ų159.487%0.86580%0.802SS**  trans-175.367.3156.2-112.4171.4-175.8175.40113.9P350P350-K352 PolarHBondContact O-N 2.95Å
353I34.8Very low33.9Very low148 Ų148156.6 Ų156.676%0.75980%0.799SS**  trans-134.496.6153.3-53.2178.3000107.8L355I353-L355 HydrophobicContact CG2-CG 4.43Å; I353-L355 PolarHBondContact O-N 3.28Å; I353-L355 VanDerWaalsContact O-N 3.09Å
354R31.4Very low33.7Very low249 Ų249154.6 Ų154.694%0.9480%0.802SS**  trans-68.5101.4165.4-87.2-170.2174.4174.2-0.8108S356R354-S356 PolarHBondContact O-N 3Å
355L33.5Very low33.8Very low163 Ų163160.9 Ų160.985%0.85383%0.825SS**  trans-77.693.6162.5-81.2154.2000108.2I353I353-L355 HydrophobicContact CG2-CG 4.43Å; I353-L355 PolarHBondContact O-N 3.28Å; I353-L355 VanDerWaalsContact O-N 3.09Å
356S33.8Very low33.9Very low107 Ų107163.3 Ų163.375%0.74883%0.832SS**  trans-83.8112.5163.552.90000109.4R354R354-S356 PolarHBondContact O-N 3Å
357S39.5Very low34Very low99 Ų99164 Ų16469%0.69283%0.833SS**  trans54112.6161.177.90000118.6
358F33.4Very low34Very low215 Ų215165.5 Ų165.594%0.94384%0.841SS**  -148.9129.1116.7-107.6-81.8000108.2
359G31.4Very low34Very low65 Ų65165.8 Ų165.867%0.6784%0.842SS**  trans-79160-16300000115.5
360R35.6Very low33.9Very low226 Ų226167.7 Ų167.785%0.85385%0.85SS**  trans51.9101.5146.1-59.4-175.6179.8-180-0.1116.4
361H30.3Very low33.9Very low176 Ų176170.9 Ų170.982%0.81586%0.855SS**  169.4117.198.6-89.6-72.5000108.8
362Y31.4Very low33.3Very low228 Ų228169.1 Ų169.189%0.89485%0.851SS**  trans-75.8136.6156.2-80.6-91.8000108.2
363T34.3Very low33.2Very low141 Ų141166.8 Ų166.887%0.86585%0.849SS**  -155.4123.8129.6420000108.4
364S30.4Very low33.1Very low110 Ų110168.4 Ų168.477%0.76986%0.857SS**  trans-56.8148.6166.559.60000112.1
365I32.2Very low33.3Very low242 Ų242161.1 Ų161.1100%1.24185%0.849SS**  -139.70110.7-87166.5000106

Retrieved 365 of 365 residues in 343.5 ms (Link to these results)