A0A096LP12_HUMAN Loading...

Glutamine amidotransferase class 1 domain containing 3

AlphaFold DB , UniProt , Accession A0A096LP12, Species HUMAN (Homo sapiens, Human), Gene GATD3, Length 224 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
1P39Very low48.7Very low187 Ų187147.8 Ų147.8100%1.21484%0.836SS**  0122.10-0.622.2000110.4
2S43.5Very low49Very low108 Ų108145.7 Ų145.776%0.75583%0.832SS**  trans-53.7133.4-164.954.10000116R4S2-R4 PolarHBondContact O-N 3.28Å
3Q46.9Very low49.6Very low196 Ų196147.8 Ų147.892%0.91682%0.818SS**  trans-62.8113.9160.1-70.5178.8-7.200108.5A5Q3-A5 PolarHBondContact O-N 3.29Å
4R47Very low51Low237 Ų237146 Ų14689%0.89482%0.817SS**  trans-66.5118.6172.9-85.2179.7162.2149-4.9108.6S2 A6S2-R4 PolarHBondContact O-N 3.28Å; R4-A6 PolarHBondContact O-N 3.22Å
5A47.7Very low53.3Low90 Ų90139.5 Ų139.574%0.74479%0.789SS**  trans-54.6124.9172.700000110.1Q3 L7Q3-A5 PolarHBondContact O-N 3.29Å; A5-L7 PolarHBondContact O-N 3.47Å; A5-L7 VanDerWaalsContact O-N 3.08Å
6A49.6Very low55.7Low98 Ų98133.6 Ų133.681%0.8176%0.763SS**  trans-62.7110.2171.200000108.4R4 H8R4-A6 PolarHBondContact O-N 3.22Å; A6-H8 PolarHBondContact O-N 2.98Å; A6-H8 VanDerWaalsContact O-N 3.17Å
7L51.3Low58.1Low153 Ų153131.1 Ų131.180%0.80174%0.738SS**  trans-61.7118.6171.5-69.8170.5000107.6A5 L9A5-L7 PolarHBondContact O-N 3.47Å; A5-L7 VanDerWaalsContact O-N 3.08Å; L7-L9 PolarHBondContact O-N 3.17Å
8H53.2Low60.2Low189 Ų189124.2 Ų124.288%0.87570%0.7SS**  trans-66.983.2176.8-141.7-79.4000108.2A6 S10A6-H8 PolarHBondContact O-N 2.98Å; A6-H8 VanDerWaalsContact O-N 3.17Å; H8-S10 PolarHBondContact O-N 3.04Å
9L47.1Very low62.2Low160 Ų160117.6 Ų117.684%0.83866%0.663SS**  trans-67.898172.7-70.7171.7000107.1L7 V11L7-L9 PolarHBondContact O-N 3.17Å; L9-V11 PolarHBondContact O-N 3.08Å
10S56.1Low63.9Low92 Ų92111.8 Ų111.864%0.64363%0.63SS**  trans-58.2124.1167.656.90000108H8H8-S10 PolarHBondContact O-N 3.04Å
11V54Low65.5Low116 Ų116106.5 Ų106.570%0.70360%0.6SS**  trans-40.5127.4170.6178.40000109L9 R13L9-V11 PolarHBondContact O-N 3.08Å; V11-R13 PolarHBondContact O-N 3.29Å
12P52.5Low68.3Low122 Ų12297.6 Ų97.679%0.79254%0.542SS*.  trans-53.1110.8172.7-2332.4000107.9
13R56.5Low70.8Confident173 Ų17392.5 Ų92.565%0.65351%0.506SS*.PPolyproline II helixtrans-72.6138.8175.3-61.5-172.8-159.5134.92.6106.8V11 A15 K168V11-R13 PolarHBondContact O-N 3.29Å; R13-A15 PolarHBondContact O-N 3.24Å; R13-K168 VanDerWaalsContact NH1-CE 3.28Å
14P70.2Confident73.2Confident123 Ų12383.1 Ų83.180%0.79946%0.463SS*.PPolyproline II helixtrans-50.1138.8172.9-23.131.4000110A16P14-A16 PolarHBondContact O-N 2.66Å
15A85Confident75.6Confident48 Ų4873.1 Ų73.140%0.39743%0.429SS..PPolyproline II helixtrans-54.2134.3172.900000108.9R13 R17 G47 E49R13-A15 PolarHBondContact O-N 3.24Å; A15-R17 PolarHBondContact O-N 2.72Å; A15-G47 VanDerWaalsContact CB-O 3.25Å; A15-G47 WeakPolarHBondContact CB-O 3.47Å; A15-E49 HydrophobicContact CB-CB 4.43Å
16A91.5Very high77.8Confident45 Ų4569 Ų6937%0.37240%0.395SS..PPolyproline II helixtrans-65.2129.7174.600000108.6P14 A48 E49P14-A16 PolarHBondContact O-N 2.66Å; A16-A48 HydrophobicContact CB-CB 4.36Å; A16-A48 CarbonylContact O-C 3.54Å; A16-A48 VanDerWaalsContact O-CA 3.26Å; A16-A48 WeakPolarHBondContact O-CA 2.74Å; A16-A48 WeakPolarHBondContact O-CB 3.19Å; A16-E49 PolarHBondContact O-N 3.33Å
17R95.8Very high79.8Confident91 Ų9166.6 Ų66.634%0.34337%0.37SS..EExtended strand (participates in β ladder)trans-91.1116.9177.8-67.1176.7-65.6167.76.3109.1A15 E49 N100 H101 D102 A103A15-R17 PolarHBondContact O-N 2.72Å; R17-E49 CarbonylContact C-O 3.46Å; R17-E49 WeakPolarHBondContact CA-O 3.3Å; R17-E49 HydrophobicContact CG-CB 4.45Å; R17-N100 WeakPolarHBondContact CD-O 3.5Å; R17-N100 PolarHBondContact NE-O 2.88Å; R17-N100 VanDerWaalsContact NE-O 3.1Å; R17-N100 PolarHBondContact NH1-O 2.75Å; R17-N100 VanDerWaalsContact NH1-O 3.11Å; R17-H101 CarbonylContact O-C 3.56Å; R17-D102 PolarHBondContact N-OD2 3.22Å; R17-D102 PolarHBondContact O-N 3.01Å; R17-A103 PolarHBondContact O-N 2.88Å
18V96.9Very high81.7Confident7 Ų763.7 Ų63.74%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-118.1124.8-174.8-178.20000109.6L43 A48 E49 V50 Q51 A103 I105V18-L43 HydrophobicContact CB-CD1 4.31Å; V18-L43 HydrophobicContact CB-CD2 4.32Å; V18-L43 HydrophobicContact CG1-CD1 3.91Å; V18-L43 HydrophobicContact CG1-CD2 4.15Å; V18-L43 HydrophobicContact CG2-CD2 4Å; V18-A48 HydrophobicContact CG2-CB 4.1Å; V18-E49 PolarHBondContact N-O 3.48Å; V18-V50 WeakPolarHBondContact O-CA 3.03Å; V18-Q51 PolarHBondContact O-N 3.08Å; V18-A103 HydrophobicContact CG1-CB 4.32Å; V18-A103 HydrophobicContact CG2-CB 4.26Å; V18-I105 HydrophobicContact CG1-CD1 3.75Å; V18-I105 HydrophobicContact CG1-CG1 3.96Å
19A97.4Very high83.6Confident0 Ų054.8 Ų54.80%031%0.308CS..EExtended strand (participates in β ladder)trans-83.8124.8170.600000109.4Q51 F53 L96 H101 A103 A104 I105 F139A19-Q51 CarbonylContact C-O 3.49Å; A19-Q51 WeakPolarHBondContact CA-O 3.45Å; A19-F53 HydrophobicContact CB-CD2 4Å; A19-F53 HydrophobicContact CB-CE2 3.9Å; A19-L96 HydrophobicContact CB-CD1 3.62Å; A19-L96 HydrophobicContact CB-CD2 4Å; A19-H101 HydrophobicContact CB-CB 4.41Å; A19-A103 PolarHBondContact N-O 3.29Å; A19-A104 HydrophobicContact CB-CB 4.49Å; A19-A104 CarbonylContact O-C 3.59Å; A19-A104 WeakPolarHBondContact O-CA 3.44Å; A19-I105 PolarHBondContact O-N 3.03Å; A19-F139 HydrophobicContact CB-CZ 4.28Å
20L97.2Very high85.9Confident0 Ų047.2 Ų47.20%027%0.268CS..EExtended strand (participates in β ladder)trans-107.9113.4173.2-173.468.8000108.8L22 I39 L40 V50 Q51 I52 F53 I105 P107L20-L22 HydrophobicContact CD2-CD2 4.13Å; L20-L22 HydrophobicContact CG-CD2 4.1Å; L20-I39 HydrophobicContact CD1-CG2 3.73Å; L20-L40 HydrophobicContact CD2-CD1 4.36Å; L20-L40 HydrophobicContact CD2-CD2 3.66Å; L20-L40 HydrophobicContact CD2-CG 3.86Å; L20-V50 HydrophobicContact CB-CG1 3.87Å; L20-Q51 PolarHBondContact N-O 3.04Å; L20-I52 HydrophobicContact CB-CG1 4.36Å; L20-I52 HydrophobicContact CD2-CG1 4.34Å; L20-I52 CarbonylContact O-C 3.6Å; L20-I52 WeakPolarHBondContact O-CA 3.08Å; L20-F53 PolarHBondContact O-N 2.94Å; L20-I105 HydrophobicContact CD1-CB 3.99Å; L20-I105 HydrophobicContact CD1-CG2 3.99Å; L20-P107 HydrophobicContact CD1-CG 3.59Å; L20-P107 HydrophobicContact CG-CG 4.25Å
21V97.3Very high87.8Confident1 Ų142.8 Ų42.81%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-100.9114.4-176.8-175.90000109.9F53 L93 L96 I105 F106 P107V21-F53 CarbonylContact C-O 3.04Å; V21-F53 WeakPolarHBondContact CA-O 3.42Å; V21-F53 HydrophobicContact CG2-CB 4.44Å; V21-L93 HydrophobicContact CG1-CD1 3.81Å; V21-L93 HydrophobicContact CG1-CD2 4.32Å; V21-L93 HydrophobicContact CG2-CD1 3.96Å; V21-L96 HydrophobicContact CG2-CD2 3.89Å; V21-I105 PolarHBondContact N-O 2.85Å; V21-F106 HydrophobicContact CB-CD1 3.64Å; V21-F106 HydrophobicContact CB-CE1 3.53Å; V21-F106 HydrophobicContact CB-CG 4.38Å; V21-F106 HydrophobicContact CB-CZ 4.18Å; V21-F106 HydrophobicContact CG1-CD1 3.91Å; V21-F106 HydrophobicContact CG1-CE1 3.62Å; V21-F106 HydrophobicContact CG2-CD1 4.29Å; V21-F106 HydrophobicContact CG2-CE1 3.77Å; V21-F106 HydrophobicContact CG2-CZ 3.92Å; V21-P107 WeakPolarHBondContact O-CD 3.11Å
22L97.4Very high89.8Confident0 Ų039.4 Ų39.40%021%0.214CC..  trans-98162.5-179.5-56-178.7000111.5L20 T31 A36 I52 F53 A54 I85 P107L20-L22 HydrophobicContact CD2-CD2 4.13Å; L20-L22 HydrophobicContact CG-CD2 4.1Å; L22-T31 WeakPolarHBondContact CA-OG1 3.35Å; L22-T31 HydrophobicContact CD2-CG2 3.88Å; L22-A36 HydrophobicContact CD2-CB 4.28Å; L22-I52 HydrophobicContact CD1-CG2 3.39Å; L22-I52 HydrophobicContact CG-CG2 3.72Å; L22-F53 PolarHBondContact N-O 3.49Å; L22-A54 HydrophobicContact CB-CB 4.42Å; L22-I85 HydrophobicContact CD1-CB 4Å; L22-I85 HydrophobicContact CD1-CD1 4.32Å; L22-I85 HydrophobicContact CD1-CG2 4.08Å; L22-P107 HydrophobicContact CD2-CG 3.95Å
23S96.7Very high91.9Very high1 Ų136.8 Ų36.81%0.00719%0.193CC..  trans-127.812.6-176.9650000113.7G30 T31 G111 A112 N115S23-G30 WeakPolarHBondContact O-CA 3.44Å; S23-G30 VanDerWaalsContact OG-C 3.23Å; S23-G30 PolarHBondContact OG-O 3.22Å; S23-T31 PolarHBondContact N-OG1 3.23Å; S23-T31 PolarHBondContact OG-N 2.79Å; S23-T31 PolarHBondContact OG-OG1 3.03Å; S23-G111 VanDerWaalsContact CB-C 3.45Å; S23-G111 VanDerWaalsContact OG-C 3.25Å; S23-G111 WeakPolarHBondContact OG-CA 3.33Å; S23-A112 PolarHBondContact OG-N 3.37Å; S23-N115 PolarHBondContact O-ND2 3Å
24G96.6Very high93.7Very high0 Ų035.7 Ų35.70%020%0.195CC..  trans132.8-163.9-175.700000111.3T31 S82G24-T31 WeakPolarHBondContact O-CB 3.45Å; G24-T31 PolarHBondContact O-N 3.37Å; G24-S82 WeakPolarHBondContact CA-OG 3.44Å; G24-S82 PolarHBondContact N-OG 3.3Å
25C96.8Very high94.8Very high27 Ų2731.3 Ų31.318%0.18216%0.163CC..BIsolated β-bridgetrans-135.180.4-178.6-179.60000111.8E81 R84 I85C25-E81 HydrophobicContact CB-CB 4.27Å; C25-E81 WeakPolarHBondContact CB-O 3.29Å; C25-R84 HydrophobicContact CB-CB 4.38Å; C25-I85 HydrophobicContact CB-CD1 4.31Å; C25-I85 HydrophobicContact CB-CG1 4.3Å
26G93.9Very high95.3Very high3 Ų329 Ų293%0.03114%0.144CC..SBendtrans161.1142.5-176.200000110.5Y28 D29 G30 T31 H65G26-Y28 VanDerWaalsContact C-N 3.3Å; G26-Y28 PolarHBondContact O-N 2.89Å; G26-D29 WeakPolarHBondContact CA-OD1 3.18Å; G26-G30 CarbonylContact O-C 2.89Å; G26-G30 WeakPolarHBondContact O-CA 3.42Å; G26-G30 PolarHBondContact O-N 3.26Å; G26-T31 CarbonylContact C-O 3.51Å; G26-T31 PolarHBondContact N-O 3.41Å; G26-T31 VanDerWaalsContact N-O 3.14Å; G26-T31 CarbonylContact O-C 3.25Å; G26-T31 PolarHBondContact O-N 2.74Å; G26-H65 WeakPolarHBondContact CA-NE2 3.45Å
27V92.6Very high95.5Very high47 Ų4729.4 Ų29.429%0.28515%0.145SC..THydrogen-bonded Turntrans-66.3-32.7-175.663.80000112.2E32 H65 F110V27-E32 HydrophobicContact CB-CG 4.25Å; V27-E32 HydrophobicContact CG2-CB 4.45Å; V27-E32 HydrophobicContact CG2-CG 3.9Å; V27-H65 PolarHBondContact N-NE2 2.68Å; V27-H65 VanDerWaalsContact N-NE2 3.15Å; V27-F110 WeakPolarHBondContact O-CB 3.37Å; V27-F110 WeakPolarHBondContact O-CD2 3.3Å; V27-F110 PolarHBondContact O-N 2.87Å
28Y91.9Very high95.5Very high92 Ų9227.1 Ų27.136%0.36115%0.145SC..THydrogen-bonded Turntrans-91-23.8-173.7-63.1-51.5000114.8G26 I63 H65 F110 K114G26-Y28 VanDerWaalsContact C-N 3.3Å; G26-Y28 PolarHBondContact O-N 2.89Å; Y28-I63 HydrophobicContact CD2-CG2 4.03Å; Y28-I63 HydrophobicContact CG-CG2 4.28Å; Y28-H65 AromaticContact CD2-CD2 3.62Å; Y28-H65 AromaticContact CD2-NE2 3.86Å; Y28-H65 PolarHBondContact N-NE2 2.63Å; Y28-F110 HydrophobicContact CD1-CD2 4.14Å; Y28-F110 HydrophobicContact CD1-CE2 4.39Å; Y28-F110 WeakPolarHBondContact O-CB 3.15Å; Y28-K114 PolarHBondContact O-NZ 2.73Å
29D92.5Very high95.4Very high3 Ų327.8 Ų27.82%0.01615%0.148CC..THydrogen-bonded Turntrans-125.2-3.3-176.453.913.8000114G26 H61 I63 H65 N115G26-D29 WeakPolarHBondContact CA-OD1 3.18Å; D29-H61 WeakPolarHBondContact CB-O 3.31Å; D29-I63 HydrophobicContact CB-CB 4.39Å; D29-I63 HydrophobicContact CB-CG1 4.08Å; D29-I63 PolarHBondContact OD2-N 3.49Å; D29-H65 IonicContact OD1-CE1 2.73Å; D29-H65 PolarHBondContact OD1-CE1 3.42Å; D29-H65 IonicContact OD1-NE2 3.21Å; D29-H65 IonicContact OD2-CE1 3.73Å; D29-N115 PolarHBondContact O-ND2 3.38Å
30G95.3Very high95.2Very high0 Ų029.6 Ų29.60%016%0.158CC..SBendtrans-156-146.1-175.500000114S23 G26 G109 G111S23-G30 WeakPolarHBondContact O-CA 3.44Å; S23-G30 VanDerWaalsContact OG-C 3.23Å; S23-G30 PolarHBondContact OG-O 3.22Å; G26-G30 CarbonylContact O-C 2.89Å; G26-G30 WeakPolarHBondContact O-CA 3.42Å; G26-G30 PolarHBondContact O-N 3.26Å; G30-G109 CarbonylContact O-C 3.57Å; G30-G109 WeakPolarHBondContact O-CA 3.42Å; G30-G111 WeakPolarHBondContact O-CA 3.3Å; G30-G111 PolarHBondContact O-N 2.93Å
31T96.4Very high95.1Very high0 Ų033.5 Ų33.50%018%0.182CC..BIsolated β-bridgetrans-78.1139.4175.2-64.20000111.6L22 S23 G24 G26 I33 A36 I85 P107 G108L22-T31 WeakPolarHBondContact CA-OG1 3.35Å; L22-T31 HydrophobicContact CD2-CG2 3.88Å; S23-T31 PolarHBondContact N-OG1 3.23Å; S23-T31 PolarHBondContact OG-N 2.79Å; S23-T31 PolarHBondContact OG-OG1 3.03Å; G24-T31 WeakPolarHBondContact O-CB 3.45Å; G24-T31 PolarHBondContact O-N 3.37Å; G26-T31 CarbonylContact C-O 3.51Å; G26-T31 PolarHBondContact N-O 3.41Å; G26-T31 VanDerWaalsContact N-O 3.14Å; G26-T31 CarbonylContact O-C 3.25Å; G26-T31 PolarHBondContact O-N 2.74Å; T31-I33 PolarHBondContact O-N 3.43Å; T31-A36 HydrophobicContact CG2-CB 3.76Å; T31-I85 HydrophobicContact CG2-CD1 4.28Å; T31-P107 HydrophobicContact CG2-CB 3.64Å; T31-P107 HydrophobicContact CG2-CG 4.22Å; T31-G108 WeakPolarHBondContact CA-O 3.46Å
32E95.4Very high95Very high45 Ų4539.9 Ų39.921%0.2121%0.211CC..  trans-64.7113.5168.3-155.5-68.8107.300110.5V27 H34 E35 A36 G108V27-E32 HydrophobicContact CB-CG 4.25Å; V27-E32 HydrophobicContact CG2-CB 4.45Å; V27-E32 HydrophobicContact CG2-CG 3.9Å; E32-H34 PolarHBondContact O-N 3.47Å; E32-H34 WeakPolarHBondContact OE1-CB 3.36Å; E32-H34 IonicContact OE1-CD2 3.28Å; E32-H34 PolarHBondContact OE1-CD2 3.39Å; E32-H34 IonicContact OE1-CG 3.57Å; E32-H34 PolarHBondContact OE1-N 2.9Å; E32-H34 WeakPolarHBondContact OE2-CB 3.38Å; E32-H34 PolarHBondContact OE2-N 3.28Å; E32-E35 HydrophobicContact CB-CB 4.23Å; E32-E35 PolarHBondContact O-N 3.39Å; E32-E35 WeakPolarHBondContact OE2-CB 3.3Å; E32-E35 PolarHBondContact OE2-N 3.13Å; E32-A36 PolarHBondContact O-N 2.91Å; E32-G108 PolarHBondContact N-O 2.83Å
33I96Very high94.8Very high67 Ų6741 Ų4134%0.34422%0.217SC..Hα-helixtrans-67.1-37.3-168.1-60.7170.7000111.4T31 S37 I85T31-I33 PolarHBondContact O-N 3.43Å; I33-S37 VanDerWaalsContact O-CB 3.3Å; I33-S37 WeakPolarHBondContact O-CB 3.47Å; I33-S37 PolarHBondContact O-N 3.29Å; I33-S37 PolarHBondContact O-OG 3.32Å; I33-I85 HydrophobicContact CG1-CD1 4.32Å
34H95.1Very high94.6Very high149 Ų14945.1 Ų45.169%0.6925%0.246SC*.Hα-helixtrans-68.2-38.8-179.5-63-65.2000111.6E32 S37 A38E32-H34 PolarHBondContact O-N 3.47Å; E32-H34 WeakPolarHBondContact OE1-CB 3.36Å; E32-H34 IonicContact OE1-CD2 3.28Å; E32-H34 PolarHBondContact OE1-CD2 3.39Å; E32-H34 IonicContact OE1-CG 3.57Å; E32-H34 PolarHBondContact OE1-N 2.9Å; E32-H34 WeakPolarHBondContact OE2-CB 3.38Å; E32-H34 PolarHBondContact OE2-N 3.28Å; H34-S37 PolarHBondContact O-N 3.46Å; H34-A38 WeakPolarHBondContact O-CB 3.26Å; H34-A38 PolarHBondContact O-N 3.31Å
35E93.8Very high94.3Very high31 Ų3155.1 Ų55.115%0.14528%0.283CS..Hα-helixtrans-69.5-46.7178.7-158.6-153.6115.200111.5E32 S37 A38 I39 P107 G108 S149E32-E35 HydrophobicContact CB-CB 4.23Å; E32-E35 PolarHBondContact O-N 3.39Å; E32-E35 WeakPolarHBondContact OE2-CB 3.3Å; E32-E35 PolarHBondContact OE2-N 3.13Å; E35-S37 VanDerWaalsContact C-N 3.26Å; E35-S37 PolarHBondContact O-N 3.49Å; E35-A38 PolarHBondContact O-N 3.27Å; E35-A38 VanDerWaalsContact O-N 3.16Å; E35-I39 HydrophobicContact CG-CD1 4.21Å; E35-I39 VanDerWaalsContact O-CG1 3.32Å; E35-I39 WeakPolarHBondContact O-CG1 3.21Å; E35-I39 PolarHBondContact O-N 2.84Å; E35-I39 VanDerWaalsContact OE1-CD1 3.31Å; E35-I39 WeakPolarHBondContact OE1-CD1 3.2Å; E35-P107 WeakPolarHBondContact OE1-CA 3.46Å; E35-P107 WeakPolarHBondContact OE1-CB 3.3Å; E35-G108 VanDerWaalsContact CD-N 3.3Å; E35-G108 PolarHBondContact OE1-N 3.08Å; E35-G108 VanDerWaalsContact OE1-N 3.09Å; E35-G108 WeakPolarHBondContact OE2-CA 3.37Å; E35-G108 PolarHBondContact OE2-N 2.86Å; E35-S149 WeakPolarHBondContact OE1-CB 3.33Å; E35-S149 PolarHBondContact OE1-OG 2.93Å; E35-S149 WeakPolarHBondContact OE2-CB 3.44Å
36A95.1Very high94Very high0 Ų057 Ų570%031%0.307CS..Hα-helixtrans-57.4-43.1173.600000111.3L22 T31 E32 I39 L40 I85 P107L22-A36 HydrophobicContact CD2-CB 4.28Å; T31-A36 HydrophobicContact CG2-CB 3.76Å; E32-A36 PolarHBondContact O-N 2.91Å; A36-I39 PolarHBondContact O-N 3.03Å; A36-L40 WeakPolarHBondContact O-CB 3.48Å; A36-L40 VanDerWaalsContact O-CG 3.28Å; A36-L40 WeakPolarHBondContact O-CG 3.35Å; A36-L40 PolarHBondContact O-N 2.98Å; A36-I85 HydrophobicContact CB-CD1 4.43Å; A36-I85 HydrophobicContact CB-CG2 4.09Å; A36-P107 HydrophobicContact CB-CG 4.45Å
37S95.4Very high93.9Very high54 Ų5459 Ų5938%0.37833%0.328SS..Hα-helixtrans-62.9-44176.1-60.40000112I33 H34 E35 L40 V41I33-S37 VanDerWaalsContact O-CB 3.3Å; I33-S37 WeakPolarHBondContact O-CB 3.47Å; I33-S37 PolarHBondContact O-N 3.29Å; I33-S37 PolarHBondContact O-OG 3.32Å; H34-S37 PolarHBondContact O-N 3.46Å; E35-S37 VanDerWaalsContact C-N 3.26Å; E35-S37 PolarHBondContact O-N 3.49Å; S37-L40 PolarHBondContact O-N 2.92Å; S37-V41 VanDerWaalsContact O-CG2 3.32Å; S37-V41 WeakPolarHBondContact O-CG2 3.32Å; S37-V41 PolarHBondContact O-N 2.89Å
38A94.9Very high94Very high43 Ų4357.7 Ų57.736%0.35532%0.322SS..Hα-helixtrans-63.2-44.1177.600000111.7H34 E35 V41 H42H34-A38 WeakPolarHBondContact O-CB 3.26Å; H34-A38 PolarHBondContact O-N 3.31Å; E35-A38 PolarHBondContact O-N 3.27Å; E35-A38 VanDerWaalsContact O-N 3.16Å; A38-V41 PolarHBondContact O-N 2.83Å; A38-H42 WeakPolarHBondContact O-CB 3.25Å; A38-H42 PolarHBondContact O-CD2 3.16Å; A38-H42 PolarHBondContact O-N 3.17Å
39I94.7Very high94.1Very high20 Ų2058.1 Ų58.110%0.10333%0.328CS..Hα-helixtrans-58.8-50176-70.8163.3000110.2L20 E35 A36 V41 H42 L43 I105 P107L20-I39 HydrophobicContact CD1-CG2 3.73Å; E35-I39 HydrophobicContact CG-CD1 4.21Å; E35-I39 VanDerWaalsContact O-CG1 3.32Å; E35-I39 WeakPolarHBondContact O-CG1 3.21Å; E35-I39 PolarHBondContact O-N 2.84Å; E35-I39 VanDerWaalsContact OE1-CD1 3.31Å; E35-I39 WeakPolarHBondContact OE1-CD1 3.2Å; A36-I39 PolarHBondContact O-N 3.03Å; I39-V41 VanDerWaalsContact C-N 3.34Å; I39-V41 PolarHBondContact O-N 3.35Å; I39-H42 PolarHBondContact O-N 3.48Å; I39-H42 VanDerWaalsContact O-N 3.16Å; I39-L43 HydrophobicContact CG2-CD1 3.64Å; I39-L43 HydrophobicContact CG2-CG 4.19Å; I39-L43 WeakPolarHBondContact O-CB 3.24Å; I39-L43 VanDerWaalsContact O-CG 3.3Å; I39-L43 WeakPolarHBondContact O-CG 3.27Å; I39-L43 PolarHBondContact O-N 3.4Å; I39-I105 HydrophobicContact CD1-CG2 3.9Å; I39-I105 HydrophobicContact CG2-CD1 4.19Å; I39-I105 HydrophobicContact CG2-CG2 4.16Å; I39-P107 HydrophobicContact CD1-CB 4Å; I39-P107 HydrophobicContact CD1-CG 3.85Å
40L94.5Very high94.3Very high39 Ų3959.9 Ų59.920%0.20434%0.338CS..Hα-helixtrans-59.4-43.2179.3-73.1170.8000112.2L20 A36 S37 L43 S44 V50 I52 I85L20-L40 HydrophobicContact CD2-CD1 4.36Å; L20-L40 HydrophobicContact CD2-CD2 3.66Å; L20-L40 HydrophobicContact CD2-CG 3.86Å; A36-L40 WeakPolarHBondContact O-CB 3.48Å; A36-L40 VanDerWaalsContact O-CG 3.28Å; A36-L40 WeakPolarHBondContact O-CG 3.35Å; A36-L40 PolarHBondContact O-N 2.98Å; S37-L40 PolarHBondContact O-N 2.92Å; L40-L43 PolarHBondContact O-N 3.21Å; L40-S44 VanDerWaalsContact O-CB 3.27Å; L40-S44 WeakPolarHBondContact O-CB 3.44Å; L40-S44 PolarHBondContact O-N 3.4Å; L40-V50 HydrophobicContact CD2-CB 4.36Å; L40-V50 HydrophobicContact CD2-CG1 3.88Å; L40-I52 HydrophobicContact CD2-CD1 4.2Å; L40-I85 HydrophobicContact CD1-CG2 4.34Å
41V95.1Very high94.4Very high82 Ų8263.7 Ų63.750%0.49736%0.356SS..Hα-helixtrans-62.7-43.7175.51700000111.1S37 A38 I39 R45S37-V41 VanDerWaalsContact O-CG2 3.32Å; S37-V41 WeakPolarHBondContact O-CG2 3.32Å; S37-V41 PolarHBondContact O-N 2.89Å; A38-V41 PolarHBondContact O-N 2.83Å; I39-V41 VanDerWaalsContact C-N 3.34Å; I39-V41 PolarHBondContact O-N 3.35Å; V41-R45 HydrophobicContact CG1-CG 4.49Å; V41-R45 WeakPolarHBondContact O-CB 3.23Å; V41-R45 VanDerWaalsContact O-CG 3.24Å; V41-R45 WeakPolarHBondContact O-CG 3.28Å; V41-R45 PolarHBondContact O-N 2.88Å
42H94Very high94.5Very high135 Ų13564.4 Ų64.463%0.62536%0.36SS*.Hα-helixtrans-66.5-40.8179.4-78.7-60.2000113A38 I39 R45 G46A38-H42 WeakPolarHBondContact O-CB 3.25Å; A38-H42 PolarHBondContact O-CD2 3.16Å; A38-H42 PolarHBondContact O-N 3.17Å; I39-H42 PolarHBondContact O-N 3.48Å; I39-H42 VanDerWaalsContact O-N 3.16Å; H42-R45 PolarHBondContact O-N 3.49Å; H42-G46 PolarHBondContact O-N 3.04Å
43L93.6Very high94.6Very high22 Ų2262.4 Ų62.412%0.11535%0.351CS..Hα-helixtrans-65.9-44.2176.3-69.6173.5000111.5V18 I39 L40 R45 G46 G47 A48 V50 I105V18-L43 HydrophobicContact CB-CD1 4.31Å; V18-L43 HydrophobicContact CB-CD2 4.32Å; V18-L43 HydrophobicContact CG1-CD1 3.91Å; V18-L43 HydrophobicContact CG1-CD2 4.15Å; V18-L43 HydrophobicContact CG2-CD2 4Å; I39-L43 HydrophobicContact CG2-CD1 3.64Å; I39-L43 HydrophobicContact CG2-CG 4.19Å; I39-L43 WeakPolarHBondContact O-CB 3.24Å; I39-L43 VanDerWaalsContact O-CG 3.3Å; I39-L43 WeakPolarHBondContact O-CG 3.27Å; I39-L43 PolarHBondContact O-N 3.4Å; L40-L43 PolarHBondContact O-N 3.21Å; L43-R45 PolarHBondContact O-N 3.48Å; L43-G46 CarbonylContact O-C 3.56Å; L43-G46 WeakPolarHBondContact O-CA 3.29Å; L43-G46 PolarHBondContact O-N 3.06Å; L43-G47 PolarHBondContact O-N 3.04Å; L43-A48 HydrophobicContact CB-CB 4.25Å; L43-A48 HydrophobicContact CD2-CB 4.24Å; L43-A48 PolarHBondContact O-N 2.83Å; L43-V50 HydrophobicContact CB-CG2 3.59Å; L43-V50 HydrophobicContact CD1-CG1 4.16Å; L43-V50 HydrophobicContact CD1-CG2 3.54Å; L43-V50 HydrophobicContact CG-CG2 4.17Å; L43-I105 HydrophobicContact CD1-CD1 4.13Å; L43-I105 HydrophobicContact CD2-CD1 4.14Å
44S92.1Very high94.7Very high88 Ų8859.2 Ų59.262%0.61533%0.334SS*.Hα-helixtrans-60-45.5175.7178.80000111.8L40 G46 G47L40-S44 VanDerWaalsContact O-CB 3.27Å; L40-S44 WeakPolarHBondContact O-CB 3.44Å; L40-S44 PolarHBondContact O-N 3.4Å; S44-G46 PolarHBondContact O-N 2.97Å; S44-G47 PolarHBondContact O-N 2.94Å
45R91.5Very high94.8Very high210 Ų21052.1 Ų52.179%0.79230%0.301SS*.Hα-helixtrans-63.4-27174.5-71.2174.375.2130.85.2113.2V41 H42 L43 G47V41-R45 HydrophobicContact CG1-CG 4.49Å; V41-R45 WeakPolarHBondContact O-CB 3.23Å; V41-R45 VanDerWaalsContact O-CG 3.24Å; V41-R45 WeakPolarHBondContact O-CG 3.28Å; V41-R45 PolarHBondContact O-N 2.88Å; H42-R45 PolarHBondContact O-N 3.49Å; L43-R45 PolarHBondContact O-N 3.48Å; R45-G47 VanDerWaalsContact C-N 3.28Å
46G90.8Very high94.9Very high66 Ų6655 Ų5568%0.6832%0.318SS*.THydrogen-bonded Turntrans-80.3-4.2174.300000114.4H42 L43 S44 A48H42-G46 PolarHBondContact O-N 3.04Å; L43-G46 CarbonylContact O-C 3.56Å; L43-G46 WeakPolarHBondContact O-CA 3.29Å; L43-G46 PolarHBondContact O-N 3.06Å; S44-G46 PolarHBondContact O-N 2.97Å; G46-A48 VanDerWaalsContact C-N 3.26Å; G46-A48 PolarHBondContact O-N 3.01Å
47G91.5Very high94.9Very high46 Ų4656.8 Ų56.847%0.47433%0.328SS..THydrogen-bonded Turntrans67.924.8-174.900000113.5A15 L43 S44 R45A15-G47 VanDerWaalsContact CB-O 3.25Å; A15-G47 WeakPolarHBondContact CB-O 3.47Å; L43-G47 PolarHBondContact O-N 3.04Å; S44-G47 PolarHBondContact O-N 2.94Å; R45-G47 VanDerWaalsContact C-N 3.28Å
48A94.3Very high94.9Very high20 Ų2058.6 Ų58.617%0.16534%0.339CS..  trans-82.6144175.100000110.8A16 V18 L43 G46A16-A48 HydrophobicContact CB-CB 4.36Å; A16-A48 CarbonylContact O-C 3.54Å; A16-A48 VanDerWaalsContact O-CA 3.26Å; A16-A48 WeakPolarHBondContact O-CA 2.74Å; A16-A48 WeakPolarHBondContact O-CB 3.19Å; V18-A48 HydrophobicContact CG2-CB 4.1Å; L43-A48 HydrophobicContact CB-CB 4.25Å; L43-A48 HydrophobicContact CD2-CB 4.24Å; L43-A48 PolarHBondContact O-N 2.83Å; G46-A48 VanDerWaalsContact C-N 3.26Å; G46-A48 PolarHBondContact O-N 3.01Å
49E94.8Very high94.8Very high101 Ų10157.2 Ų57.247%0.47233%0.325SS..EExtended strand (participates in β ladder)trans-87123.2168.6-172.5-176.3166.700108.4A15 A16 R17 V18A15-E49 HydrophobicContact CB-CB 4.43Å; A16-E49 PolarHBondContact O-N 3.33Å; R17-E49 CarbonylContact C-O 3.46Å; R17-E49 WeakPolarHBondContact CA-O 3.3Å; R17-E49 HydrophobicContact CG-CB 4.45Å; V18-E49 PolarHBondContact N-O 3.48Å
50V96.1Very high94.6Very high40 Ų4059.6 Ų59.624%0.24234%0.337CS..EExtended strand (participates in β ladder)trans-109.7126.6-176.5-170.90000109.9V18 L20 L40 L43 I52V18-V50 WeakPolarHBondContact O-CA 3.03Å; L20-V50 HydrophobicContact CB-CG1 3.87Å; L40-V50 HydrophobicContact CD2-CB 4.36Å; L40-V50 HydrophobicContact CD2-CG1 3.88Å; L43-V50 HydrophobicContact CB-CG2 3.59Å; L43-V50 HydrophobicContact CD1-CG1 4.16Å; L43-V50 HydrophobicContact CD1-CG2 3.54Å; L43-V50 HydrophobicContact CG-CG2 4.17Å; V50-I52 HydrophobicContact CG1-CG1 4.32Å
51Q97.1Very high94.3Very high79 Ų7961 Ų6137%0.36934%0.342SS..EExtended strand (participates in β ladder)trans-110.5132.2168.2-66.5-173.53.900108.7V18 A19 L20 F53 H101V18-Q51 PolarHBondContact O-N 3.08Å; A19-Q51 CarbonylContact C-O 3.49Å; A19-Q51 WeakPolarHBondContact CA-O 3.45Å; L20-Q51 PolarHBondContact N-O 3.04Å; Q51-F53 HydrophobicContact CB-CD2 4.48Å; Q51-F53 HydrophobicContact CB-CE2 3.5Å; Q51-F53 VanDerWaalsContact CB-CE2 3.5Å; Q51-F53 HydrophobicContact CB-CZ 3.82Å; Q51-F53 WeakPolarHBondContact O-CD2 3.41Å; Q51-F53 WeakPolarHBondContact O-CE2 3.37Å; Q51-H101 PolarHBondContact OE1-CE1 3.46Å; Q51-H101 PolarHBondContact OE1-NE2 3.46Å; Q51-H101 VanDerWaalsContact OE1-NE2 3.07Å
52I98.1Very high94.3Very high15 Ų1557.4 Ų57.48%0.07732%0.32CS..EExtended strand (participates in β ladder)trans-104.7133.3-173-54.4175000108.5L20 L22 L40 V50 A86 I90 T91L20-I52 HydrophobicContact CB-CG1 4.36Å; L20-I52 HydrophobicContact CD2-CG1 4.34Å; L20-I52 CarbonylContact O-C 3.6Å; L20-I52 WeakPolarHBondContact O-CA 3.08Å; L22-I52 HydrophobicContact CD1-CG2 3.39Å; L22-I52 HydrophobicContact CG-CG2 3.72Å; L40-I52 HydrophobicContact CD2-CD1 4.2Å; V50-I52 HydrophobicContact CG1-CG1 4.32Å; I52-A86 HydrophobicContact CB-CB 4.19Å; I52-A86 HydrophobicContact CD1-CB 3.64Å; I52-A86 HydrophobicContact CG2-CB 4.05Å; I52-I90 HydrophobicContact CB-CG1 4.45Å; I52-I90 HydrophobicContact CG2-CD1 4.06Å; I52-I90 HydrophobicContact CG2-CG1 4.07Å; I52-I90 WeakPolarHBondContact O-CA 3.34Å; I52-I90 WeakPolarHBondContact O-CG1 3.24Å; I52-T91 PolarHBondContact O-N 2.86Å
53F98.3Very high94.2Very high4 Ų451.3 Ų51.32%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-128.1152.1-177.9-59.9-89.7000110.8A19 L20 V21 L22 Q51 T91 L93 L96 H101A19-F53 HydrophobicContact CB-CD2 4Å; A19-F53 HydrophobicContact CB-CE2 3.9Å; L20-F53 PolarHBondContact O-N 2.94Å; V21-F53 CarbonylContact C-O 3.04Å; V21-F53 WeakPolarHBondContact CA-O 3.42Å; V21-F53 HydrophobicContact CG2-CB 4.44Å; L22-F53 PolarHBondContact N-O 3.49Å; Q51-F53 HydrophobicContact CB-CD2 4.48Å; Q51-F53 HydrophobicContact CB-CE2 3.5Å; Q51-F53 VanDerWaalsContact CB-CE2 3.5Å; Q51-F53 HydrophobicContact CB-CZ 3.82Å; Q51-F53 WeakPolarHBondContact O-CD2 3.41Å; Q51-F53 WeakPolarHBondContact O-CE2 3.37Å; F53-T91 WeakPolarHBondContact CA-O 3.37Å; F53-T91 HydrophobicContact CD1-CG2 4.28Å; F53-T91 HydrophobicContact CE1-CG2 4.04Å; F53-L93 HydrophobicContact CB-CD1 4.14Å; F53-L96 HydrophobicContact CD1-CB 3.91Å; F53-L96 HydrophobicContact CD2-CD1 4.09Å; F53-L96 HydrophobicContact CD2-CD2 4.24Å; F53-L96 HydrophobicContact CE1-CB 4.05Å; F53-L96 HydrophobicContact CE1-CD1 4.32Å; F53-L96 HydrophobicContact CE2-CD1 3.73Å; F53-L96 HydrophobicContact CG-CB 4.19Å; F53-L96 HydrophobicContact CG-CD2 4.34Å; F53-L96 HydrophobicContact CZ-CB 4.46Å; F53-L96 HydrophobicContact CZ-CD1 3.87Å; F53-H101 AromaticContact CE2-CE1 3.91Å; F53-H101 AromaticContact CE2-NE2 3.66Å; F53-H101 AromaticContact CZ-CE1 3.69Å; F53-H101 AromaticContact CZ-NE2 3.78Å
54A97.6Very high94.2Very high0 Ų052.2 Ų52.20%030%0.297CS..EExtended strand (participates in β ladder)trans-154.4149168.500000109.2L22 V78 L79 I90 T91 L93L22-A54 HydrophobicContact CB-CB 4.42Å; A54-V78 HydrophobicContact CB-CG1 4.23Å; A54-L79 HydrophobicContact CB-CB 4.46Å; A54-L79 HydrophobicContact CB-CD1 4.04Å; A54-I90 HydrophobicContact CB-CD1 3.72Å; A54-T91 PolarHBondContact N-O 3.3Å; A54-L93 PolarHBondContact O-N 3.23Å
55P97Very high94.1Very high0 Ų051.7 Ų51.70%029%0.285CS..  trans-69.7138.8176.328.6-33.8000110.7V57 V78 L79 L93 L116P55-V57 VanDerWaalsContact C-N 3.26Å; P55-V57 HydrophobicContact CB-CG1 4.35Å; P55-V57 HydrophobicContact CB-CG2 4.04Å; P55-V57 HydrophobicContact CG-CG2 4.01Å; P55-V57 PolarHBondContact O-N 3.35Å; P55-V78 HydrophobicContact CG-CG1 3.84Å; P55-V78 WeakPolarHBondContact O-CB 3.36Å; P55-L79 PolarHBondContact O-N 3.33Å; P55-L93 HydrophobicContact CB-CB 4.36Å; P55-L93 HydrophobicContact CB-CD2 4.2Å; P55-L116 HydrophobicContact CG-CD2 3.8Å
56D97Very high94.2Very high91 Ų9147.7 Ų47.749%0.48728%0.284SS..  trans-81.172.1174-167.614.1000111.3N77 L79D56-N77 PolarHBondContact OD1-ND2 3.42Å; D56-N77 PolarHBondContact OD1-OD1 2.86Å; D56-L79 HydrophobicContact CB-CB 4.4Å; D56-L79 HydrophobicContact CB-CD2 3.98Å
57V95.3Very high94.2Very high37 Ų3751.8 Ų51.822%0.22428%0.283CS..  trans-132.7152.8-178.5-61.60000111.2P55 N77 V78P55-V57 VanDerWaalsContact C-N 3.26Å; P55-V57 HydrophobicContact CB-CG1 4.35Å; P55-V57 HydrophobicContact CB-CG2 4.04Å; P55-V57 HydrophobicContact CG-CG2 4.01Å; P55-V57 PolarHBondContact O-N 3.35Å; V57-N77 PolarHBondContact O-ND2 3.01Å; V57-V78 HydrophobicContact CG2-CB 4.15Å; V57-V78 HydrophobicContact CG2-CG2 3.88Å; V57-V78 WeakPolarHBondContact O-CB 3.2Å; V57-V78 WeakPolarHBondContact O-CG2 3.18Å; V57-V78 PolarHBondContact O-N 3.42Å
58P95.4Very high94.1Very high92 Ų9250.9 Ų50.960%0.59727%0.273SS*.BIsolated β-bridgetrans-62.6143.916927.4-34.4000110.8
59Q93Very high93.9Very high14 Ų1455 Ų557%0.06529%0.289CS..  trans-67.3143.8169.7-70.3-178.512.900109.8R76 V78Q59-R76 PolarHBondContact N-O 2.98Å; Q59-V78 HydrophobicContact CB-CG2 4.45Å; Q59-V78 HydrophobicContact CG-CG2 3.58Å
60M89.7Confident93.7Very high71 Ų7152.6 Ų52.635%0.3528%0.282SS..SBendtrans-64.2-43.4178.6-178.7179.6-77.200112.4K114 N115 V121M60-K114 HydrophobicContact CB-CB 4.24Å; M60-K114 VanDerWaalsContact CE-O 3.25Å; M60-K114 WeakPolarHBondContact CE-O 3.11Å; M60-K114 HydrophobicContact SD-CB 4.11Å; M60-K114 HydrophobicContact SD-CG 4.21Å; M60-N115 PolarHBondContact N-OD1 3.44Å; M60-N115 VanDerWaalsContact N-OD1 3.11Å; M60-V121 HydrophobicContact CE-CG2 4.03Å; M60-V121 HydrophobicContact SD-CG2 3.64Å
61H89.1Confident93.4Very high69 Ų6952.3 Ų52.332%0.31928%0.282SS..  trans-143.2139.1176.4-64.3133.3000108.8D29 I63D29-H61 WeakPolarHBondContact CB-O 3.31Å; H61-I63 HydrophobicContact CB-CD1 4.05Å
62V93.6Very high93Very high5 Ų557.7 Ų57.73%0.0331%0.307CS..  trans-94.9128167.8-177.70000107.8P70 S71 E74 R76V62-P70 WeakPolarHBondContact O-CA 3.28Å; V62-S71 PolarHBondContact O-N 2.98Å; V62-E74 HydrophobicContact CB-CB 4.33Å; V62-E74 HydrophobicContact CB-CG 4.48Å; V62-E74 HydrophobicContact CG1-CB 4.38Å; V62-E74 HydrophobicContact CG1-CG 4.13Å; V62-E74 HydrophobicContact CG2-CG 4.44Å; V62-E74 WeakPolarHBondContact CG2-O 3.32Å; V62-R76 HydrophobicContact CG1-CG 4.3Å; V62-R76 HydrophobicContact CG2-CB 3.92Å; V62-R76 HydrophobicContact CG2-CG 3.79Å
63I92.7Very high92.5Very high7 Ų761.4 Ų61.44%0.03635%0.349CS..EExtended strand (participates in β ladder)trans-113.3127.1-174.2-57.6-60.8000110.5Y28 D29 H61 H65 P70Y28-I63 HydrophobicContact CD2-CG2 4.03Å; Y28-I63 HydrophobicContact CG-CG2 4.28Å; D29-I63 HydrophobicContact CB-CB 4.39Å; D29-I63 HydrophobicContact CB-CG1 4.08Å; D29-I63 PolarHBondContact OD2-N 3.49Å; H61-I63 HydrophobicContact CB-CD1 4.05Å; I63-H65 PolarHBondContact O-N 2.97Å; I63-H65 VanDerWaalsContact O-N 3.08Å; I63-H65 PolarHBondContact O-ND1 2.81Å; I63-P70 HydrophobicContact CD1-CB 4.13Å; I63-P70 HydrophobicContact CD1-CG 3.93Å
64D92.8Very high92.2Very high42 Ų4265 Ų6523%0.22537%0.366CS..EExtended strand (participates in β ladder)trans-70.3103.5163.7-177.7-15.4000108.3T66 K67 G68 Q69D64-T66 PolarHBondContact O-N 3.18Å; D64-T66 WeakPolarHBondContact OD1-CB 3.36Å; D64-T66 PolarHBondContact OD1-N 3.3Å; D64-T66 PolarHBondContact OD1-OG1 3.39Å; D64-T66 PolarHBondContact OD2-OG1 3.36Å; D64-K67 HydrophobicContact CB-CB 4.42Å; D64-K67 PolarHBondContact O-N 2.87Å; D64-K67 VanDerWaalsContact O-N 3.16Å; D64-K67 WeakPolarHBondContact OD2-CD 3.39Å; D64-K67 WeakPolarHBondContact OD2-CE 3.36Å; D64-K67 IonicContact OD2-NZ 3.33Å; D64-G68 WeakPolarHBondContact O-CA 3.35Å; D64-G68 PolarHBondContact O-N 2.63Å; D64-Q69 PolarHBondContact N-O 3.37Å
65H91.6Very high92Very high77 Ų7769.7 Ų69.736%0.35640%0.398SS..THydrogen-bonded Turntrans-67.1-15.6-177.4-75.263.3000113.5G26 V27 Y28 D29 I63G26-H65 WeakPolarHBondContact CA-NE2 3.45Å; V27-H65 PolarHBondContact N-NE2 2.68Å; V27-H65 VanDerWaalsContact N-NE2 3.15Å; Y28-H65 AromaticContact CD2-CD2 3.62Å; Y28-H65 AromaticContact CD2-NE2 3.86Å; Y28-H65 PolarHBondContact N-NE2 2.63Å; D29-H65 IonicContact OD1-CE1 2.73Å; D29-H65 PolarHBondContact OD1-CE1 3.42Å; D29-H65 IonicContact OD1-NE2 3.21Å; D29-H65 IonicContact OD2-CE1 3.73Å; I63-H65 PolarHBondContact O-N 2.97Å; I63-H65 VanDerWaalsContact O-N 3.08Å; I63-H65 PolarHBondContact O-ND1 2.81Å
66T93.4Very high91.9Very high125 Ų12573.4 Ų73.477%0.76741%0.412SS*.THydrogen-bonded Turntrans-78.3-30.917571.40000112.1D64D64-T66 PolarHBondContact O-N 3.18Å; D64-T66 WeakPolarHBondContact OD1-CB 3.36Å; D64-T66 PolarHBondContact OD1-N 3.3Å; D64-T66 PolarHBondContact OD1-OG1 3.39Å; D64-T66 PolarHBondContact OD2-OG1 3.36Å
67K90.9Very high91.9Very high153 Ų15370.9 Ų70.967%0.66540%0.399SS*.THydrogen-bonded Turntrans-102.4-20-179.6-62.6176.2-170.3162.80113.1D64 Q69D64-K67 HydrophobicContact CB-CB 4.42Å; D64-K67 PolarHBondContact O-N 2.87Å; D64-K67 VanDerWaalsContact O-N 3.16Å; D64-K67 WeakPolarHBondContact OD2-CD 3.39Å; D64-K67 WeakPolarHBondContact OD2-CE 3.36Å; D64-K67 IonicContact OD2-NZ 3.33Å; K67-Q69 HydrophobicContact CB-CB 4.36Å; K67-Q69 HydrophobicContact CB-CG 4.43Å; K67-Q69 PolarHBondContact O-N 2.7Å
68G88.1Confident92Very high26 Ų2669.1 Ų69.127%0.26839%0.388SS..THydrogen-bonded Turntrans6722.9-172.100000113.3D64D64-G68 WeakPolarHBondContact O-CA 3.35Å; D64-G68 PolarHBondContact O-N 2.63Å
69Q89.6Confident92.1Very high107 Ų10766.2 Ų66.250%0.537%0.367SS..EExtended strand (participates in β ladder)trans-121.3153.3-175.6-64.7-62.3-1000111.5D64 K67D64-Q69 PolarHBondContact N-O 3.37Å; K67-Q69 HydrophobicContact CB-CB 4.36Å; K67-Q69 HydrophobicContact CB-CG 4.43Å; K67-Q69 PolarHBondContact O-N 2.7Å
70P91.4Very high92.4Very high50 Ų5069.7 Ų69.733%0.32539%0.39SS..EExtended strand (participates in β ladder)trans-60.1137173.3-2133.1000112.6V62 I63 E72V62-P70 WeakPolarHBondContact O-CA 3.28Å; I63-P70 HydrophobicContact CD1-CB 4.13Å; I63-P70 HydrophobicContact CD1-CG 3.93Å; P70-E72 PolarHBondContact O-N 2.87Å
71S90.8Very high92.7Very high35 Ų3566.9 Ų66.925%0.24538%0.376CS..  trans-82103.7166.8-66.50000108.7V62 E74V62-S71 PolarHBondContact O-N 2.98Å; S71-E74 PolarHBondContact O-N 2.71Å
72E87.9Confident93.1Very high192 Ų19263.6 Ų63.690%0.89736%0.361SS*.THydrogen-bonded Turntrans-65.2135.4177.4-63.5-174.417500111.2P70 E74P70-E72 PolarHBondContact O-N 2.87Å; E72-E74 VanDerWaalsContact C-N 3.27Å; E72-E74 PolarHBondContact O-N 2.8Å
73G87.3Confident93.3Very high92 Ų9264.6 Ų64.695%0.94837%0.369SS*.THydrogen-bonded Turntrans79.7-3178.900000115.6
74E91.2Very high93.5Very high81 Ų8171.8 Ų71.838%0.37940%0.396SS..  trans-94.2132.1175-163.6177.2174.400111V62 S71 E72 R76V62-E74 HydrophobicContact CB-CB 4.33Å; V62-E74 HydrophobicContact CB-CG 4.48Å; V62-E74 HydrophobicContact CG1-CB 4.38Å; V62-E74 HydrophobicContact CG1-CG 4.13Å; V62-E74 HydrophobicContact CG2-CG 4.44Å; V62-E74 WeakPolarHBondContact CG2-O 3.32Å; S71-E74 PolarHBondContact O-N 2.71Å; E72-E74 VanDerWaalsContact C-N 3.27Å; E72-E74 PolarHBondContact O-N 2.8Å; E74-R76 IonicContact OE1-CZ 2.86Å; E74-R76 IonicContact OE1-NE 3.38Å; E74-R76 PolarHBondContact OE1-NE 3.36Å; E74-R76 IonicContact OE1-NH2 3.19Å; E74-R76 PolarHBondContact OE1-NH2 3.11Å; E74-R76 IonicContact OE2-NH2 2.91Å
75S93.5Very high93.7Very high97 Ų9770.6 Ų70.668%0.67839%0.39SS*.  trans-125.7135.8173.9-177.90000109.8
76R96.2Very high93.9Very high78 Ų7867.3 Ų67.329%0.29438%0.376SS..  trans-132.1152.2178.7-67.4-176.9-176.1178.113.3110.2Q59 V62 E74 E81Q59-R76 PolarHBondContact N-O 2.98Å; V62-R76 HydrophobicContact CG1-CG 4.3Å; V62-R76 HydrophobicContact CG2-CB 3.92Å; V62-R76 HydrophobicContact CG2-CG 3.79Å; E74-R76 IonicContact OE1-CZ 2.86Å; E74-R76 IonicContact OE1-NE 3.38Å; E74-R76 PolarHBondContact OE1-NE 3.36Å; E74-R76 IonicContact OE1-NH2 3.19Å; E74-R76 PolarHBondContact OE1-NH2 3.11Å; E74-R76 IonicContact OE2-NH2 2.91Å; R76-E81 HydrophobicContact CB-CG 3.85Å; R76-E81 HydrophobicContact CG-CG 4.35Å; R76-E81 IonicContact NH1-OE2 2.8Å; R76-E81 PolarHBondContact NH1-OE2 3.43Å
77N97.3Very high94Very high38 Ų3871.8 Ų71.820%0.20338%0.379CS..BIsolated β-bridgetrans-97.7137.1177.4175.4-81.7000110.7D56 V57 L79 T80 E81D56-N77 PolarHBondContact OD1-ND2 3.42Å; D56-N77 PolarHBondContact OD1-OD1 2.86Å; V57-N77 PolarHBondContact O-ND2 3.01Å; N77-L79 WeakPolarHBondContact OD1-CA 3.38Å; N77-L79 WeakPolarHBondContact OD1-CB 3.1Å; N77-L79 PolarHBondContact OD1-N 3.36Å; N77-T80 PolarHBondContact O-N 3.43Å; N77-T80 PolarHBondContact OD1-N 2.98Å; N77-T80 PolarHBondContact OD1-OG1 3.16Å; N77-E81 WeakPolarHBondContact O-CB 3.47Å; N77-E81 WeakPolarHBondContact O-CG 3.32Å; N77-E81 PolarHBondContact O-N 3.1Å
78V97.3Very high94.2Very high0 Ų067.1 Ų67.10%037%0.374CS..Hα-helixtrans-62.1-45.4-177.2169.30000112A54 P55 V57 Q59 S82 N115A54-V78 HydrophobicContact CB-CG1 4.23Å; P55-V78 HydrophobicContact CG-CG1 3.84Å; P55-V78 WeakPolarHBondContact O-CB 3.36Å; V57-V78 HydrophobicContact CG2-CB 4.15Å; V57-V78 HydrophobicContact CG2-CG2 3.88Å; V57-V78 WeakPolarHBondContact O-CB 3.2Å; V57-V78 WeakPolarHBondContact O-CG2 3.18Å; V57-V78 PolarHBondContact O-N 3.42Å; Q59-V78 HydrophobicContact CB-CG2 4.45Å; Q59-V78 HydrophobicContact CG-CG2 3.58Å; V78-S82 WeakPolarHBondContact O-CB 3.26Å; V78-S82 PolarHBondContact O-N 2.86Å; V78-S82 PolarHBondContact O-OG 3.41Å; V78-N115 HydrophobicContact CG2-CB 3.88Å
79L97.6Very high94.6Very high31 Ų3174.2 Ų74.216%0.16240%0.397CS..Hα-helixtrans-64.7-45.9178.4176.465.4000111.4A54 P55 D56 N77 E81 S82 A83 I90 D92A54-L79 HydrophobicContact CB-CB 4.46Å; A54-L79 HydrophobicContact CB-CD1 4.04Å; P55-L79 PolarHBondContact O-N 3.33Å; D56-L79 HydrophobicContact CB-CB 4.4Å; D56-L79 HydrophobicContact CB-CD2 3.98Å; N77-L79 WeakPolarHBondContact OD1-CA 3.38Å; N77-L79 WeakPolarHBondContact OD1-CB 3.1Å; N77-L79 PolarHBondContact OD1-N 3.36Å; L79-E81 PolarHBondContact O-N 2.98Å; L79-S82 PolarHBondContact O-N 2.61Å; L79-A83 PolarHBondContact O-N 3.25Å; L79-I90 HydrophobicContact CD1-CB 4.42Å; L79-I90 HydrophobicContact CD1-CD1 3.89Å; L79-I90 HydrophobicContact CD1-CG1 3.73Å; L79-I90 HydrophobicContact CD1-CG2 3.92Å; L79-D92 HydrophobicContact CD2-CB 4.43Å
80T97.6Very high95Very high87 Ų8770.6 Ų70.653%0.53438%0.381SS..Hα-helixtrans-62.7-45.4-180-59.50000111.6N77 A83N77-T80 PolarHBondContact O-N 3.43Å; N77-T80 PolarHBondContact OD1-N 2.98Å; N77-T80 PolarHBondContact OD1-OG1 3.16Å; T80-A83 VanDerWaalsContact O-CB 3.22Å; T80-A83 WeakPolarHBondContact O-CB 3.3Å; T80-A83 PolarHBondContact O-N 3.45Å
81E97.6Very high95.2Very high13 Ų1371.2 Ų71.26%0.06138%0.384CS..Hα-helixtrans-71.3-37.1179.5-67.9-61.1105.300111.8C25 R76 N77 L79 A83 R84C25-E81 HydrophobicContact CB-CB 4.27Å; C25-E81 WeakPolarHBondContact CB-O 3.29Å; R76-E81 HydrophobicContact CB-CG 3.85Å; R76-E81 HydrophobicContact CG-CG 4.35Å; R76-E81 IonicContact NH1-OE2 2.8Å; R76-E81 PolarHBondContact NH1-OE2 3.43Å; N77-E81 WeakPolarHBondContact O-CB 3.47Å; N77-E81 WeakPolarHBondContact O-CG 3.32Å; N77-E81 PolarHBondContact O-N 3.1Å; L79-E81 PolarHBondContact O-N 2.98Å; E81-A83 PolarHBondContact O-N 3.4Å; E81-R84 VanDerWaalsContact CD-NE 3.31Å; E81-R84 VanDerWaalsContact O-CB 3.24Å; E81-R84 WeakPolarHBondContact O-CB 3.32Å; E81-R84 VanDerWaalsContact O-CG 3.27Å; E81-R84 WeakPolarHBondContact O-CG 3.44Å; E81-R84 PolarHBondContact O-N 2.99Å; E81-R84 VanDerWaalsContact O-N 3.08Å; E81-R84 IonicContact OE1-CZ 3.51Å; E81-R84 IonicContact OE1-NE 3.51Å; E81-R84 PolarHBondContact OE1-NE 2.87Å; E81-R84 IonicContact OE1-NH2 3.5Å; E81-R84 PolarHBondContact OE1-NH2 3.27Å; E81-R84 IonicContact OE2-CZ 2.72Å; E81-R84 IonicContact OE2-NE 3.96Å; E81-R84 PolarHBondContact OE2-NE 3.44Å; E81-R84 IonicContact OE2-NH2 3.18Å; E81-R84 PolarHBondContact OE2-NH2 3.04Å
82S97.8Very high95.6Very high0 Ų071.5 Ų71.50%038%0.383CS..Hα-helixtrans-62.3-26.9174.4-62.20000112.6G24 V78 L79 R84 I85 A86G24-S82 WeakPolarHBondContact CA-OG 3.44Å; G24-S82 PolarHBondContact N-OG 3.3Å; V78-S82 WeakPolarHBondContact O-CB 3.26Å; V78-S82 PolarHBondContact O-N 2.86Å; V78-S82 PolarHBondContact O-OG 3.41Å; L79-S82 PolarHBondContact O-N 2.61Å; S82-R84 PolarHBondContact O-N 2.98Å; S82-R84 VanDerWaalsContact O-N 3.16Å; S82-I85 PolarHBondContact O-N 3.28Å; S82-I85 VanDerWaalsContact O-N 3.11Å; S82-A86 PolarHBondContact O-N 2.94Å; S82-A86 VanDerWaalsContact O-N 3.17Å
83A97.3Very high96Very high26 Ų2662.3 Ų62.322%0.21534%0.34CS..Hα-helixtrans-59.6-24.3174.900000113L79 T80 E81 A86 R87 G88 I90L79-A83 PolarHBondContact O-N 3.25Å; T80-A83 VanDerWaalsContact O-CB 3.22Å; T80-A83 WeakPolarHBondContact O-CB 3.3Å; T80-A83 PolarHBondContact O-N 3.45Å; E81-A83 PolarHBondContact O-N 3.4Å; A83-A86 CarbonylContact O-C 3.57Å; A83-A86 PolarHBondContact O-N 3.28Å; A83-R87 PolarHBondContact O-N 2.87Å; A83-G88 PolarHBondContact O-N 3.18Å; A83-I90 HydrophobicContact CB-CG2 3.77Å
84R97.4Very high96.4Very high158 Ų15860 Ų6060%0.59631%0.312SS*.Hα-helixtrans-61.6-44.8174.3-60.8176.5-174.4-89-4.8111.6C25 E81 S82C25-R84 HydrophobicContact CB-CB 4.38Å; E81-R84 VanDerWaalsContact CD-NE 3.31Å; E81-R84 VanDerWaalsContact O-CB 3.24Å; E81-R84 WeakPolarHBondContact O-CB 3.32Å; E81-R84 VanDerWaalsContact O-CG 3.27Å; E81-R84 WeakPolarHBondContact O-CG 3.44Å; E81-R84 PolarHBondContact O-N 2.99Å; E81-R84 VanDerWaalsContact O-N 3.08Å; E81-R84 IonicContact OE1-CZ 3.51Å; E81-R84 IonicContact OE1-NE 3.51Å; E81-R84 PolarHBondContact OE1-NE 2.87Å; E81-R84 IonicContact OE1-NH2 3.5Å; E81-R84 PolarHBondContact OE1-NH2 3.27Å; E81-R84 IonicContact OE2-CZ 2.72Å; E81-R84 IonicContact OE2-NE 3.96Å; E81-R84 PolarHBondContact OE2-NE 3.44Å; E81-R84 IonicContact OE2-NH2 3.18Å; E81-R84 PolarHBondContact OE2-NH2 3.04Å; S82-R84 PolarHBondContact O-N 2.98Å; S82-R84 VanDerWaalsContact O-N 3.16Å
85I96.4Very high96.6Very high17 Ų1761.5 Ų61.59%0.08732%0.322CS..Hα-helixtrans-69.3-41.8176.6-60.7175.2000109.9L22 C25 T31 I33 A36 L40 S82 R87L22-I85 HydrophobicContact CD1-CB 4Å; L22-I85 HydrophobicContact CD1-CD1 4.32Å; L22-I85 HydrophobicContact CD1-CG2 4.08Å; C25-I85 HydrophobicContact CB-CD1 4.31Å; C25-I85 HydrophobicContact CB-CG1 4.3Å; T31-I85 HydrophobicContact CG2-CD1 4.28Å; I33-I85 HydrophobicContact CG1-CD1 4.32Å; A36-I85 HydrophobicContact CB-CD1 4.43Å; A36-I85 HydrophobicContact CB-CG2 4.09Å; L40-I85 HydrophobicContact CD1-CG2 4.34Å; S82-I85 PolarHBondContact O-N 3.28Å; S82-I85 VanDerWaalsContact O-N 3.11Å; I85-R87 VanDerWaalsContact C-N 3.25Å; I85-R87 PolarHBondContact O-N 3.28Å
86A95.5Very high96.7Very high8 Ų857 Ų577%0.06629%0.29CS..Hα-helixtrans-76.3-5.9-176.700000114.8I52 S82 A83 G88 K89 I90I52-A86 HydrophobicContact CB-CB 4.19Å; I52-A86 HydrophobicContact CD1-CB 3.64Å; I52-A86 HydrophobicContact CG2-CB 4.05Å; S82-A86 PolarHBondContact O-N 2.94Å; S82-A86 VanDerWaalsContact O-N 3.17Å; A83-A86 CarbonylContact O-C 3.57Å; A83-A86 PolarHBondContact O-N 3.28Å; A86-G88 PolarHBondContact O-N 3.43Å; A86-K89 PolarHBondContact O-N 3.09Å; A86-K89 VanDerWaalsContact O-N 3.09Å; A86-I90 HydrophobicContact CB-CB 3.86Å; A86-I90 HydrophobicContact CB-CD1 4.45Å
87R95.3Very high96.6Very high219 Ų21955.1 Ų55.183%0.82629%0.29SS*.THydrogen-bonded Turntrans51.443.5-170.9-58.3-179.2171.788.9-1.7112A83 I85 K89A83-R87 PolarHBondContact O-N 2.87Å; I85-R87 VanDerWaalsContact C-N 3.25Å; I85-R87 PolarHBondContact O-N 3.28Å; R87-K89 VanDerWaalsContact C-N 3.26Å; R87-K89 PolarHBondContact O-N 2.96Å
88G94.8Very high96.4Very high55 Ų5553.7 Ų53.757%0.56728%0.283SS*.THydrogen-bonded Turntrans78.8-8.1-178.800000115.8A83 A86 I90A83-G88 PolarHBondContact O-N 3.18Å; A86-G88 PolarHBondContact O-N 3.43Å; G88-I90 VanDerWaalsContact C-N 3.34Å; G88-I90 PolarHBondContact O-N 3.3Å; G88-I90 VanDerWaalsContact O-N 3.15Å
89K96.3Very high96.3Very high174 Ų17456.9 Ų56.976%0.75731%0.31SS*.  trans-89.467.8178.2-62.6-175.6-179.6-176.20111.5A86 R87A86-K89 PolarHBondContact O-N 3.09Å; A86-K89 VanDerWaalsContact O-N 3.09Å; R87-K89 VanDerWaalsContact C-N 3.26Å; R87-K89 PolarHBondContact O-N 2.96Å
90I97.6Very high96.1Very high31 Ų3159.8 Ų59.816%0.15933%0.325CS..EExtended strand (participates in β ladder)trans-129.5151.4-178.6-164.7163.3000110.9I52 A54 L79 A83 A86 G88I52-I90 HydrophobicContact CB-CG1 4.45Å; I52-I90 HydrophobicContact CG2-CD1 4.06Å; I52-I90 HydrophobicContact CG2-CG1 4.07Å; I52-I90 WeakPolarHBondContact O-CA 3.34Å; I52-I90 WeakPolarHBondContact O-CG1 3.24Å; A54-I90 HydrophobicContact CB-CD1 3.72Å; L79-I90 HydrophobicContact CD1-CB 4.42Å; L79-I90 HydrophobicContact CD1-CD1 3.89Å; L79-I90 HydrophobicContact CD1-CG1 3.73Å; L79-I90 HydrophobicContact CD1-CG2 3.92Å; A83-I90 HydrophobicContact CB-CG2 3.77Å; A86-I90 HydrophobicContact CB-CB 3.86Å; A86-I90 HydrophobicContact CB-CD1 4.45Å; G88-I90 VanDerWaalsContact C-N 3.34Å; G88-I90 PolarHBondContact O-N 3.3Å; G88-I90 VanDerWaalsContact O-N 3.15Å
91T97.6Very high96Very high63 Ų6355.8 Ų55.839%0.38730%0.3SS..EExtended strand (participates in β ladder)trans-129.5152.3177.3-55.90000109.8I52 F53 A54 N95I52-T91 PolarHBondContact O-N 2.86Å; F53-T91 WeakPolarHBondContact CA-O 3.37Å; F53-T91 HydrophobicContact CD1-CG2 4.28Å; F53-T91 HydrophobicContact CE1-CG2 4.04Å; A54-T91 PolarHBondContact N-O 3.3Å; T91-N95 HydrophobicContact CG2-CB 3.87Å
92D97.4Very high95.9Very high41 Ų4158.4 Ų58.422%0.21932%0.315CS..EExtended strand (participates in β ladder)trans-60.2136.9173.1-174-3.9000111.1L79 A94 N95L79-D92 HydrophobicContact CD2-CB 4.43Å; D92-A94 PolarHBondContact O-N 3.03Å; D92-A94 PolarHBondContact OD1-N 3.23Å; D92-A94 VanDerWaalsContact OD1-N 3.1Å; D92-N95 WeakPolarHBondContact O-CB 3.5Å; D92-N95 PolarHBondContact O-N 3.06Å
93L96.6Very high95.8Very high0 Ų059 Ų590%032%0.319CS..G310 helixtrans-56.9-28.6175.7-173.563.1000112.5V21 F53 A54 P55 N95 L96 E131 V132 R134 V135V21-L93 HydrophobicContact CG1-CD1 3.81Å; V21-L93 HydrophobicContact CG1-CD2 4.32Å; V21-L93 HydrophobicContact CG2-CD1 3.96Å; F53-L93 HydrophobicContact CB-CD1 4.14Å; A54-L93 PolarHBondContact O-N 3.23Å; P55-L93 HydrophobicContact CB-CB 4.36Å; P55-L93 HydrophobicContact CB-CD2 4.2Å; L93-N95 PolarHBondContact O-N 3.1Å; L93-N95 VanDerWaalsContact O-N 3.16Å; L93-L96 HydrophobicContact CD1-CB 4.17Å; L93-L96 HydrophobicContact CD1-CD2 3.79Å; L93-L96 WeakPolarHBondContact O-CB 3.39Å; L93-L96 PolarHBondContact O-N 3.43Å; L93-E131 HydrophobicContact CD2-CB 3.78Å; L93-E131 HydrophobicContact CG-CB 4.1Å; L93-V132 HydrophobicContact CD2-CG2 3.58Å; L93-R134 PolarHBondContact O-NH2 2.86Å; L93-V135 HydrophobicContact CD1-CG2 3.98Å; L93-V135 HydrophobicContact CG-CG2 4.4Å
94A95.4Very high95.7Very high43 Ų4357.7 Ų57.736%0.35531%0.309SS..G310 helixtrans-52.3-34.9172.100000112.8D92 E131 R134D92-A94 PolarHBondContact O-N 3.03Å; D92-A94 PolarHBondContact OD1-N 3.23Å; D92-A94 VanDerWaalsContact OD1-N 3.1Å; A94-E131 WeakPolarHBondContact CB-OE1 3.29Å; A94-R134 PolarHBondContact O-NH2 3.25Å
95N95.7Very high95.7Very high113 Ų11351.2 Ų51.260%0.60429%0.286SS*.G310 helixtrans-87.5-4-177.3-61.3-55.1000113.6T91 D92 L93 S97T91-N95 HydrophobicContact CG2-CB 3.87Å; D92-N95 WeakPolarHBondContact O-CB 3.5Å; D92-N95 PolarHBondContact O-N 3.06Å; L93-N95 PolarHBondContact O-N 3.1Å; L93-N95 VanDerWaalsContact O-N 3.16Å; N95-S97 PolarHBondContact O-N 3.37Å
96L95.8Very high95.6Very high1 Ų150.9 Ų50.91%0.00528%0.284CS..  trans-71.8120.7176.8177.454.5000110A19 V21 F53 L93 H101 R134 V135 F139A19-L96 HydrophobicContact CB-CD1 3.62Å; A19-L96 HydrophobicContact CB-CD2 4Å; V21-L96 HydrophobicContact CG2-CD2 3.89Å; F53-L96 HydrophobicContact CD1-CB 3.91Å; F53-L96 HydrophobicContact CD2-CD1 4.09Å; F53-L96 HydrophobicContact CD2-CD2 4.24Å; F53-L96 HydrophobicContact CE1-CB 4.05Å; F53-L96 HydrophobicContact CE1-CD1 4.32Å; F53-L96 HydrophobicContact CE2-CD1 3.73Å; F53-L96 HydrophobicContact CG-CB 4.19Å; F53-L96 HydrophobicContact CG-CD2 4.34Å; F53-L96 HydrophobicContact CZ-CB 4.46Å; F53-L96 HydrophobicContact CZ-CD1 3.87Å; L93-L96 HydrophobicContact CD1-CB 4.17Å; L93-L96 HydrophobicContact CD1-CD2 3.79Å; L93-L96 WeakPolarHBondContact O-CB 3.39Å; L93-L96 PolarHBondContact O-N 3.43Å; L96-H101 WeakPolarHBondContact CD1-ND1 3.48Å; L96-R134 PolarHBondContact O-NH1 3.42Å; L96-R134 PolarHBondContact O-NH2 2.99Å; L96-R134 VanDerWaalsContact O-NH2 3.13Å; L96-V135 HydrophobicContact CB-CG2 4.18Å; L96-V135 HydrophobicContact CD2-CB 4.38Å; L96-V135 HydrophobicContact CD2-CG1 3.56Å; L96-V135 HydrophobicContact CD2-CG2 3.85Å; L96-V135 HydrophobicContact CG-CG1 4.29Å; L96-V135 HydrophobicContact CG-CG2 4.05Å; L96-F139 HydrophobicContact CD1-CE2 4.27Å; L96-F139 HydrophobicContact CD1-CZ 4.32Å; L96-F139 HydrophobicContact CD2-CE2 4.32Å; L96-F139 HydrophobicContact CG-CE2 4.27Å
97S94.2Very high95.6Very high40 Ų4050.7 Ų50.728%0.2828%0.282SS..  trans-117.2133.1170.3178.40000110.9N95 A99 N100 H101N95-S97 PolarHBondContact O-N 3.37Å; S97-A99 PolarHBondContact O-N 3.07Å; S97-A99 PolarHBondContact OG-N 3.43Å; S97-N100 PolarHBondContact O-N 3.21Å; S97-H101 PolarHBondContact O-ND1 2.9Å; S97-H101 VanDerWaalsContact O-ND1 3.1Å
98A93.9Very high95.4Very high7 Ų740.5 Ų40.56%0.05825%0.245CC..G310 helixtrans-59.7-26.5172.400000112.4N100 H101 E138 F139 K144A98-N100 VanDerWaalsContact C-N 3.26Å; A98-N100 PolarHBondContact O-N 2.84Å; A98-H101 PolarHBondContact O-N 2.8Å; A98-E138 HydrophobicContact CB-CB 3.79Å; A98-E138 PolarHBondContact N-OE2 3.33Å; A98-F139 HydrophobicContact CB-CD1 4.49Å; A98-F139 HydrophobicContact CB-CD2 3.65Å; A98-F139 HydrophobicContact CB-CE2 3.81Å; A98-F139 HydrophobicContact CB-CG 4.04Å; A98-F139 HydrophobicContact CB-CZ 4.29Å; A98-K144 PolarHBondContact O-NZ 2.76Å
99A94Very high95.2Very high68 Ų6838.6 Ų38.656%0.56223%0.225SC*.G310 helixtrans-62.5-32.9-179.200000113.1S97S97-A99 PolarHBondContact O-N 3.07Å; S97-A99 PolarHBondContact OG-N 3.43Å
100N93.8Very high95Very high91 Ų9132.4 Ų32.449%0.48720%0.199SC..G310 helixtrans-91-2.1-174.2-64.9-28.1000114R17 S97 A98R17-N100 WeakPolarHBondContact CD-O 3.5Å; R17-N100 PolarHBondContact NE-O 2.88Å; R17-N100 VanDerWaalsContact NE-O 3.1Å; R17-N100 PolarHBondContact NH1-O 2.75Å; R17-N100 VanDerWaalsContact NH1-O 3.11Å; S97-N100 PolarHBondContact O-N 3.21Å; A98-N100 VanDerWaalsContact C-N 3.26Å; A98-N100 PolarHBondContact O-N 2.84Å
101H96.1Very high94.6Very high3 Ų330.9 Ų30.91%0.01419%0.191CC..  trans-132.8151.6-174-63.487.9000110.8R17 A19 Q51 F53 L96 S97 A98 F139 K144R17-H101 CarbonylContact O-C 3.56Å; A19-H101 HydrophobicContact CB-CB 4.41Å; Q51-H101 PolarHBondContact OE1-CE1 3.46Å; Q51-H101 PolarHBondContact OE1-NE2 3.46Å; Q51-H101 VanDerWaalsContact OE1-NE2 3.07Å; F53-H101 AromaticContact CE2-CE1 3.91Å; F53-H101 AromaticContact CE2-NE2 3.66Å; F53-H101 AromaticContact CZ-CE1 3.69Å; F53-H101 AromaticContact CZ-NE2 3.78Å; L96-H101 WeakPolarHBondContact CD1-ND1 3.48Å; S97-H101 PolarHBondContact O-ND1 2.9Å; S97-H101 VanDerWaalsContact O-ND1 3.1Å; A98-H101 PolarHBondContact O-N 2.8Å; H101-F139 HydrophobicContact CB-CE1 3.99Å; H101-F139 HydrophobicContact CB-CZ 3.73Å; H101-K144 VanDerWaalsContact O-CD 3.24Å; H101-K144 WeakPolarHBondContact O-CD 3.47Å; H101-K144 WeakPolarHBondContact O-CE 3.36Å; H101-K144 PolarHBondContact O-NZ 3.14Å
102D94.9Very high94.2Very high68 Ų6828.8 Ų28.836%0.36418%0.18SC..SBendtrans-96.7-21.1178.4-58.2-54.4000112.3R17 P145R17-D102 PolarHBondContact N-OD2 3.22Å; R17-D102 PolarHBondContact O-N 3.01Å; D102-P145 VanDerWaalsContact O-CD 3.3Å; D102-P145 WeakPolarHBondContact O-CD 3.47Å
103A95.2Very high93.8Very high12 Ų1227.9 Ų27.910%0.09918%0.178CC..EExtended strand (participates in β ladder)trans-153.115617900000111.6R17 V18 A19 P145R17-A103 PolarHBondContact O-N 2.88Å; V18-A103 HydrophobicContact CG1-CB 4.32Å; V18-A103 HydrophobicContact CG2-CB 4.26Å; A19-A103 PolarHBondContact N-O 3.29Å; A103-P145 WeakPolarHBondContact CA-O 3.25Å; A103-P145 HydrophobicContact CB-CG 3.84Å
104A96.3Very high93.5Very high0 Ų028.2 Ų28.20%018%0.18CC..EExtended strand (participates in β ladder)trans-120.6139.3168.300000110A19 F106 F139 P145 I146 G147A19-A104 HydrophobicContact CB-CB 4.49Å; A19-A104 CarbonylContact O-C 3.59Å; A19-A104 WeakPolarHBondContact O-CA 3.44Å; A104-F106 HydrophobicContact CB-CE2 4.08Å; A104-F139 HydrophobicContact CB-CD1 3.81Å; A104-F139 HydrophobicContact CB-CD2 4.18Å; A104-F139 HydrophobicContact CB-CE1 3.71Å; A104-F139 HydrophobicContact CB-CE2 4.06Å; A104-F139 HydrophobicContact CB-CG 4.04Å; A104-F139 HydrophobicContact CB-CZ 3.81Å; A104-P145 PolarHBondContact N-O 3.16Å; A104-P145 VanDerWaalsContact N-O 3.17Å; A104-I146 HydrophobicContact CB-CG2 4.42Å; A104-I146 CarbonylContact O-C 3.56Å; A104-I146 WeakPolarHBondContact O-CA 3.42Å; A104-G147 PolarHBondContact O-N 3.19Å
105I96.3Very high93.3Very high22 Ų2226.8 Ų26.811%0.11317%0.166CC..EExtended strand (participates in β ladder)trans-129.2130.8177.4-58.5178.4000109.1V18 A19 L20 V21 I39 L43 G147V18-I105 HydrophobicContact CG1-CD1 3.75Å; V18-I105 HydrophobicContact CG1-CG1 3.96Å; A19-I105 PolarHBondContact O-N 3.03Å; L20-I105 HydrophobicContact CD1-CB 3.99Å; L20-I105 HydrophobicContact CD1-CG2 3.99Å; V21-I105 PolarHBondContact N-O 2.85Å; I39-I105 HydrophobicContact CD1-CG2 3.9Å; I39-I105 HydrophobicContact CG2-CD1 4.19Å; I39-I105 HydrophobicContact CG2-CG2 4.16Å; L43-I105 HydrophobicContact CD1-CD1 4.13Å; L43-I105 HydrophobicContact CD2-CD1 4.14Å; I105-G147 CarbonylContact C-O 3.51Å; I105-G147 WeakPolarHBondContact CA-O 3.15Å
106F95.6Very high93.1Very high9 Ų921.9 Ų21.94%0.03914%0.139CC..EExtended strand (participates in β ladder)trans-113.7104.3176.1-63.9-97.5000108.5V21 A104 L116 V132 V135 L136 I146 G147 H148 S149V21-F106 HydrophobicContact CB-CD1 3.64Å; V21-F106 HydrophobicContact CB-CE1 3.53Å; V21-F106 HydrophobicContact CB-CG 4.38Å; V21-F106 HydrophobicContact CB-CZ 4.18Å; V21-F106 HydrophobicContact CG1-CD1 3.91Å; V21-F106 HydrophobicContact CG1-CE1 3.62Å; V21-F106 HydrophobicContact CG2-CD1 4.29Å; V21-F106 HydrophobicContact CG2-CE1 3.77Å; V21-F106 HydrophobicContact CG2-CZ 3.92Å; A104-F106 HydrophobicContact CB-CE2 4.08Å; F106-L116 HydrophobicContact CD1-CD1 4.12Å; F106-V132 HydrophobicContact CE1-CG1 4.01Å; F106-V135 HydrophobicContact CZ-CG1 4.16Å; F106-L136 HydrophobicContact CD2-CD2 4.34Å; F106-L136 HydrophobicContact CE2-CD2 3.57Å; F106-L136 HydrophobicContact CZ-CD2 3.79Å; F106-L136 HydrophobicContact CZ-CG 4.26Å; F106-I146 HydrophobicContact CD2-CG2 3.99Å; F106-I146 HydrophobicContact CE2-CG2 3.79Å; F106-G147 PolarHBondContact N-O 3.33Å; F106-H148 AromaticContact CD2-CD2 3.65Å; F106-H148 AromaticContact CD2-NE2 3.44Å; F106-H148 WeakPolarHBondContact CD2-NE2 3.43Å; F106-H148 AromaticContact CE2-NE2 3.96Å; F106-H148 AromaticContact CG-CD2 3.75Å; F106-H148 AromaticContact CG-NE2 3.92Å; F106-H148 WeakPolarHBondContact O-CA 3.42Å; F106-S149 PolarHBondContact O-N 2.89Å
107P95Very high92.8Very high4 Ų422.7 Ų22.73%0.02615%0.145CC..  trans-63.8160.1173.6-21.536000111.9L20 V21 L22 T31 E35 A36 I39L20-P107 HydrophobicContact CD1-CG 3.59Å; L20-P107 HydrophobicContact CG-CG 4.25Å; V21-P107 WeakPolarHBondContact O-CD 3.11Å; L22-P107 HydrophobicContact CD2-CG 3.95Å; T31-P107 HydrophobicContact CG2-CB 3.64Å; T31-P107 HydrophobicContact CG2-CG 4.22Å; E35-P107 WeakPolarHBondContact OE1-CA 3.46Å; E35-P107 WeakPolarHBondContact OE1-CB 3.3Å; A36-P107 HydrophobicContact CB-CG 4.45Å; I39-P107 HydrophobicContact CD1-CB 4Å; I39-P107 HydrophobicContact CD1-CG 3.85Å
108G90.8Very high92.6Very high5 Ų522.7 Ų22.75%0.05214%0.144CC..  trans-73.8-161.9175.700000114T31 E32 E35 S149T31-G108 WeakPolarHBondContact CA-O 3.46Å; E32-G108 PolarHBondContact N-O 2.83Å; E35-G108 VanDerWaalsContact CD-N 3.3Å; E35-G108 PolarHBondContact OE1-N 3.08Å; E35-G108 VanDerWaalsContact OE1-N 3.09Å; E35-G108 WeakPolarHBondContact OE2-CA 3.37Å; E35-G108 PolarHBondContact OE2-N 2.86Å; G108-S149 VanDerWaalsContact CA-O 3.29Å; G108-S149 WeakPolarHBondContact CA-O 3.49Å
109G91Very high92.2Very high15 Ų1525.4 Ų25.416%0.15515%0.154CC..SBendtrans103.4155-170.700000111.8G30 G111 A112G30-G109 CarbonylContact O-C 3.57Å; G30-G109 WeakPolarHBondContact O-CA 3.42Å; G109-G111 PolarHBondContact O-N 3.47Å; G109-A112 WeakPolarHBondContact O-CB 3.47Å; G109-A112 PolarHBondContact O-N 2.9Å
110F91Very high91.7Very high44 Ų4424 Ų2419%0.19314%0.142CC..Hα-helixtrans-68.5-19-178.7-79.1-90.2000112.6V27 Y28 A112 A113 K114V27-F110 WeakPolarHBondContact O-CB 3.37Å; V27-F110 WeakPolarHBondContact O-CD2 3.3Å; V27-F110 PolarHBondContact O-N 2.87Å; Y28-F110 HydrophobicContact CD1-CD2 4.14Å; Y28-F110 HydrophobicContact CD1-CE2 4.39Å; Y28-F110 WeakPolarHBondContact O-CB 3.15Å; F110-A112 PolarHBondContact O-N 3.39Å; F110-A113 PolarHBondContact O-N 3.45Å; F110-K114 HydrophobicContact CB-CD 4.46Å; F110-K114 WeakPolarHBondContact O-CB 3.49Å; F110-K114 WeakPolarHBondContact O-CG 3.48Å; F110-K114 PolarHBondContact O-N 3.37Å
111G89.8Confident91.2Very high0 Ų024.2 Ų24.20%015%0.147CC..Hα-helixtrans-59.8-28.5171.200000113.3S23 G30 G109 A113 K114 N115 L116S23-G111 VanDerWaalsContact CB-C 3.45Å; S23-G111 VanDerWaalsContact OG-C 3.25Å; S23-G111 WeakPolarHBondContact OG-CA 3.33Å; G30-G111 WeakPolarHBondContact O-CA 3.3Å; G30-G111 PolarHBondContact O-N 2.93Å; G109-G111 PolarHBondContact O-N 3.47Å; G111-A113 VanDerWaalsContact C-N 3.31Å; G111-A113 PolarHBondContact O-N 3Å; G111-K114 PolarHBondContact O-N 3.2Å; G111-N115 WeakPolarHBondContact O-CA 3.5Å; G111-N115 VanDerWaalsContact O-CB 3.29Å; G111-N115 WeakPolarHBondContact O-CB 3.2Å; G111-N115 PolarHBondContact O-N 3.04Å; G111-L116 PolarHBondContact O-N 3.04Å
112A90.5Very high90.6Very high18 Ų1827.5 Ų27.515%0.14917%0.165CC..Hα-helixtrans-66.1-35.4173.500000112.1S23 G109 F110 L116 S117S23-A112 PolarHBondContact OG-N 3.37Å; G109-A112 WeakPolarHBondContact O-CB 3.47Å; G109-A112 PolarHBondContact O-N 2.9Å; F110-A112 PolarHBondContact O-N 3.39Å; A112-L116 HydrophobicContact CB-CD1 4.24Å; A112-L116 WeakPolarHBondContact O-CB 3.35Å; A112-S117 PolarHBondContact O-N 3.45Å; A112-S117 PolarHBondContact O-OG 2.96Å
113A88.3Confident90.2Very high22 Ų2225.6 Ų25.618%0.18216%0.161CC..Hα-helixtrans-85.5-15.4178.300000114F110 G111 S117 F119 A120F110-A113 PolarHBondContact O-N 3.45Å; G111-A113 VanDerWaalsContact C-N 3.31Å; G111-A113 PolarHBondContact O-N 3Å; A113-S117 CarbonylContact C-O 3.4Å; A113-S117 VanDerWaalsContact C-O 3.25Å; A113-S117 WeakPolarHBondContact CA-OG 3.34Å; A113-S117 CarbonylContact O-C 3.59Å; A113-F119 HydrophobicContact CB-CB 4.23Å; A113-F119 HydrophobicContact CB-CD1 4.13Å; A113-F119 PolarHBondContact O-N 3.16Å; A113-A120 HydrophobicContact CB-CB 4.3Å; A113-A120 WeakPolarHBondContact O-CB 3.35Å; A113-A120 PolarHBondContact O-N 3.06Å
114K89.3Confident89.6Confident8 Ų834.7 Ų34.74%0.03520%0.198CC..Hα-helixtrans-108.6-41.6-176.7-69.7176.3178.5178.40113.7Y28 M60 F110 G111 S117 A120Y28-K114 PolarHBondContact O-NZ 2.73Å; M60-K114 HydrophobicContact CB-CB 4.24Å; M60-K114 VanDerWaalsContact CE-O 3.25Å; M60-K114 WeakPolarHBondContact CE-O 3.11Å; M60-K114 HydrophobicContact SD-CB 4.11Å; M60-K114 HydrophobicContact SD-CG 4.21Å; F110-K114 HydrophobicContact CB-CD 4.46Å; F110-K114 WeakPolarHBondContact O-CB 3.49Å; F110-K114 WeakPolarHBondContact O-CG 3.48Å; F110-K114 PolarHBondContact O-N 3.37Å; G111-K114 PolarHBondContact O-N 3.2Å; K114-S117 CarbonylContact C-O 3.54Å; K114-S117 WeakPolarHBondContact CA-O 3.48Å; K114-S117 PolarHBondContact N-O 3.01Å; K114-A120 HydrophobicContact CG-CB 3.48Å; K114-A120 VanDerWaalsContact CG-CB 3.48Å
115N92.1Very high89Confident13 Ų1341.1 Ų41.17%0.0723%0.233CC..THydrogen-bonded Turntrans-105.5-38-171.5-53.8-31000111.8S23 D29 M60 V78 G111S23-N115 PolarHBondContact O-ND2 3Å; D29-N115 PolarHBondContact O-ND2 3.38Å; M60-N115 PolarHBondContact N-OD1 3.44Å; M60-N115 VanDerWaalsContact N-OD1 3.11Å; V78-N115 HydrophobicContact CG2-CB 3.88Å; G111-N115 WeakPolarHBondContact O-CA 3.5Å; G111-N115 VanDerWaalsContact O-CB 3.29Å; G111-N115 WeakPolarHBondContact O-CB 3.2Å; G111-N115 PolarHBondContact O-N 3.04Å
116L90.7Very high88.6Confident9 Ų942.2 Ų42.25%0.04724%0.242CC..SBendtrans-83.8-17175.2-53.4-174.8000112.6P55 F106 G111 A112 N129 V132P55-L116 HydrophobicContact CG-CD2 3.8Å; F106-L116 HydrophobicContact CD1-CD1 4.12Å; G111-L116 PolarHBondContact O-N 3.04Å; A112-L116 HydrophobicContact CB-CD1 4.24Å; A112-L116 WeakPolarHBondContact O-CB 3.35Å; L116-N129 WeakPolarHBondContact O-CB 3.49Å; L116-N129 PolarHBondContact O-N 3.42Å; L116-V132 HydrophobicContact CB-CG2 4.05Å; L116-V132 HydrophobicContact CD2-CG2 3.83Å; L116-V132 HydrophobicContact CG-CG2 4.41Å
117S90.6Very high88.2Confident19 Ų1949.1 Ų49.113%0.13327%0.272CS..BIsolated β-bridgetrans-154.9168.3176.262.50000110A112 A113 K114 F119 K127A112-S117 PolarHBondContact O-N 3.45Å; A112-S117 PolarHBondContact O-OG 2.96Å; A113-S117 CarbonylContact C-O 3.4Å; A113-S117 VanDerWaalsContact C-O 3.25Å; A113-S117 WeakPolarHBondContact CA-OG 3.34Å; A113-S117 CarbonylContact O-C 3.59Å; K114-S117 CarbonylContact C-O 3.54Å; K114-S117 WeakPolarHBondContact CA-O 3.48Å; K114-S117 PolarHBondContact N-O 3.01Å; S117-F119 VanDerWaalsContact C-N 3.31Å; S117-K127 CarbonylContact C-O 3.51Å; S117-K127 WeakPolarHBondContact CA-O 3.23Å; S117-K127 WeakPolarHBondContact CB-O 3.44Å
118T88.8Confident88Confident40 Ų4051.8 Ų51.825%0.24529%0.288CS..SBendtrans-94.319.517362.90000112.9A120 V121 D122 K127T118-A120 VanDerWaalsContact C-N 3.27Å; T118-A120 PolarHBondContact O-N 2.73Å; T118-V121 PolarHBondContact O-N 3.36Å; T118-V121 VanDerWaalsContact O-N 3.08Å; T118-D122 WeakPolarHBondContact CB-OD2 3.3Å; T118-D122 PolarHBondContact O-N 3.25Å; T118-D122 PolarHBondContact OG1-OD2 3.23Å; T118-K127 PolarHBondContact N-O 3.31Å; T118-K127 PolarHBondContact OG1-N 2.82Å; T118-K127 PolarHBondContact OG1-O 3.34Å
119F86.7Confident88.1Confident63 Ų6353.3 Ų53.328%0.27630%0.295SS..Hα-helixtrans-58.9-34.9-174-176.4-97.2000114A113 S117 V121 G123 C126 L153A113-F119 HydrophobicContact CB-CB 4.23Å; A113-F119 HydrophobicContact CB-CD1 4.13Å; A113-F119 PolarHBondContact O-N 3.16Å; S117-F119 VanDerWaalsContact C-N 3.31Å; F119-V121 PolarHBondContact O-N 2.86Å; F119-G123 WeakPolarHBondContact CD2-O 3.43Å; F119-G123 WeakPolarHBondContact CE2-O 3.5Å; F119-G123 VanDerWaalsContact O-CA 3.3Å; F119-G123 WeakPolarHBondContact O-CA 3.47Å; F119-G123 PolarHBondContact O-N 3.13Å; F119-C126 VanDerWaalsContact CA-CB 3.45Å; F119-C126 HydrophobicContact CB-CB 3.9Å; F119-C126 HydrophobicContact CD2-CB 4.08Å; F119-C126 HydrophobicContact CG-CB 4.49Å; F119-L153 HydrophobicContact CE1-CD2 3.9Å; F119-L153 HydrophobicContact CE2-CD2 4.37Å; F119-L153 HydrophobicContact CZ-CD2 3.8Å
120A82.6Confident88.3Confident38 Ų3861 Ų6131%0.31432%0.324SS..Hα-helixtrans-63.6-27.9179.100000113.4A113 K114 T118A113-A120 HydrophobicContact CB-CB 4.3Å; A113-A120 WeakPolarHBondContact O-CB 3.35Å; A113-A120 PolarHBondContact O-N 3.06Å; K114-A120 HydrophobicContact CG-CB 3.48Å; K114-A120 VanDerWaalsContact CG-CB 3.48Å; T118-A120 VanDerWaalsContact C-N 3.27Å; T118-A120 PolarHBondContact O-N 2.73Å
121V84.1Confident88.4Confident96 Ų9661.3 Ų61.358%0.58233%0.326SS*.Hα-helixtrans-102.6-50.2-177.4-1770000110.7M60 T118 F119M60-V121 HydrophobicContact CE-CG2 4.03Å; M60-V121 HydrophobicContact SD-CG2 3.64Å; T118-V121 PolarHBondContact O-N 3.36Å; T118-V121 VanDerWaalsContact O-N 3.08Å; F119-V121 PolarHBondContact O-N 2.86Å
122D82.3Confident88.5Confident73 Ų7361.6 Ų61.639%0.3933%0.328SS..Hα-helixtrans-91-10.6-171-60.8-23000113.1T118 K124 D125 C126T118-D122 WeakPolarHBondContact CB-OD2 3.3Å; T118-D122 PolarHBondContact O-N 3.25Å; T118-D122 PolarHBondContact OG1-OD2 3.23Å; D122-K124 PolarHBondContact O-N 3.04Å; D122-D125 PolarHBondContact O-N 2.79Å; D122-D125 VanDerWaalsContact O-N 3.14Å; D122-C126 HydrophobicContact CB-CB 4.47Å
123G86.6Confident88.7Confident27 Ų2764.5 Ų64.528%0.27834%0.338SS..G310 helixtrans56.3-111.6178.200000112.9F119 D125 C126F119-G123 WeakPolarHBondContact CD2-O 3.43Å; F119-G123 WeakPolarHBondContact CE2-O 3.5Å; F119-G123 VanDerWaalsContact O-CA 3.3Å; F119-G123 WeakPolarHBondContact O-CA 3.47Å; F119-G123 PolarHBondContact O-N 3.13Å; G123-D125 VanDerWaalsContact C-N 3.31Å; G123-D125 PolarHBondContact O-N 2.93Å; G123-C126 WeakPolarHBondContact O-CB 3.47Å; G123-C126 PolarHBondContact O-N 3.29Å
124K82.8Confident89.1Confident203 Ų20367 Ų6788%0.88334%0.343SS*.G310 helixtrans-70.7-27.2-176.6-67.7-179.5-179.1175.70113.3D122 C126D122-K124 PolarHBondContact O-N 3.04Å; K124-C126 PolarHBondContact O-N 2.9Å
125D84.6Confident89.4Confident136 Ų13666.7 Ų66.773%0.72734%0.342SS*.G310 helixtrans-94.421.3-178-59.7-51.3000111.8D122 G123D122-D125 PolarHBondContact O-N 2.79Å; D122-D125 VanDerWaalsContact O-N 3.14Å; G123-D125 VanDerWaalsContact C-N 3.31Å; G123-D125 PolarHBondContact O-N 2.93Å
126C86.8Confident89.5Confident45 Ų4568.3 Ų68.330%0.30435%0.35SS..  trans-61.2145.8-176730000112.8F119 D122 G123 K124F119-C126 VanDerWaalsContact CA-CB 3.45Å; F119-C126 HydrophobicContact CB-CB 3.9Å; F119-C126 HydrophobicContact CD2-CB 4.08Å; F119-C126 HydrophobicContact CG-CB 4.49Å; D122-C126 HydrophobicContact CB-CB 4.47Å; G123-C126 WeakPolarHBondContact O-CB 3.47Å; G123-C126 PolarHBondContact O-N 3.29Å; K124-C126 PolarHBondContact O-N 2.9Å
127K88.8Confident89.7Confident153 Ų15373 Ų7367%0.66537%0.37SS*.  trans-107.1134.2171.5-65.1176.2-175.8170.60108.7S117 T118S117-K127 CarbonylContact C-O 3.51Å; S117-K127 WeakPolarHBondContact CA-O 3.23Å; S117-K127 WeakPolarHBondContact CB-O 3.44Å; T118-K127 PolarHBondContact N-O 3.31Å; T118-K127 PolarHBondContact OG1-N 2.82Å; T118-K127 PolarHBondContact OG1-O 3.34Å
128V90.9Very high89.9Confident61 Ų6174.7 Ų74.737%0.3738%0.376SS..BIsolated β-bridgetrans-81.9145172.1-176.50000108K130 V132 E133V128-K130 PolarHBondContact O-N 3.28Å; V128-V132 HydrophobicContact CG1-CB 3.86Å; V128-V132 HydrophobicContact CG1-CG1 3.74Å; V128-E133 HydrophobicContact CB-CB 4.43Å; V128-E133 HydrophobicContact CG1-CB 4.21Å
129N92.3Very high90.2Very high37 Ų3772.8 Ų72.820%0.19836%0.364CS..  trans-56134.8171.2-179.8-52.5000109.3L116 E131 V132 E133L116-N129 WeakPolarHBondContact O-CB 3.49Å; L116-N129 PolarHBondContact O-N 3.42Å; N129-E131 PolarHBondContact O-N 3.04Å; N129-E131 VanDerWaalsContact O-N 3.16Å; N129-E131 WeakPolarHBondContact OD1-CB 3.36Å; N129-E131 PolarHBondContact OD1-N 3.15Å; N129-V132 HydrophobicContact CB-CB 4.26Å; N129-V132 HydrophobicContact CB-CG2 3.96Å; N129-V132 WeakPolarHBondContact O-CB 3.4Å; N129-V132 PolarHBondContact O-N 3.16Å; N129-E133 PolarHBondContact O-N 3.33Å
130K93.9Very high90.6Very high177 Ų17776.7 Ų76.777%0.7738%0.383SS*.Hα-helixtrans-55.6-36.2-175.2-66.2-179.2-179.4176.30112.9V128 R134V128-K130 PolarHBondContact O-N 3.28Å; K130-R134 WeakPolarHBondContact O-CB 3.46Å; K130-R134 PolarHBondContact O-N 3.14Å
131E92.9Very high91.2Very high50 Ų5082.3 Ų82.323%0.23440%0.403CS..Hα-helixtrans-71.7-41.1179.2-58.8-171.5139.500111.8L93 A94 N129 R134 V135L93-E131 HydrophobicContact CD2-CB 3.78Å; L93-E131 HydrophobicContact CG-CB 4.1Å; A94-E131 WeakPolarHBondContact CB-OE1 3.29Å; N129-E131 PolarHBondContact O-N 3.04Å; N129-E131 VanDerWaalsContact O-N 3.16Å; N129-E131 WeakPolarHBondContact OD1-CB 3.36Å; N129-E131 PolarHBondContact OD1-N 3.15Å; E131-R134 WeakPolarHBondContact O-CB 3.36Å; E131-R134 PolarHBondContact O-N 3.2Å; E131-V135 VanDerWaalsContact O-CG2 3.3Å; E131-V135 WeakPolarHBondContact O-CG2 3.13Å; E131-V135 PolarHBondContact O-N 2.68Å
132V93.8Very high91.7Very high6 Ų680.3 Ų80.34%0.03640%0.396CS..Hα-helixtrans-64.4-45.3175.3177.40000109.8L93 F106 L116 V128 N129 R134 V135 L136L93-V132 HydrophobicContact CD2-CG2 3.58Å; F106-V132 HydrophobicContact CE1-CG1 4.01Å; L116-V132 HydrophobicContact CB-CG2 4.05Å; L116-V132 HydrophobicContact CD2-CG2 3.83Å; L116-V132 HydrophobicContact CG-CG2 4.41Å; V128-V132 HydrophobicContact CG1-CB 3.86Å; V128-V132 HydrophobicContact CG1-CG1 3.74Å; N129-V132 HydrophobicContact CB-CB 4.26Å; N129-V132 HydrophobicContact CB-CG2 3.96Å; N129-V132 WeakPolarHBondContact O-CB 3.4Å; N129-V132 PolarHBondContact O-N 3.16Å; V132-R134 VanDerWaalsContact C-N 3.34Å; V132-R134 PolarHBondContact O-N 2.83Å; V132-V135 PolarHBondContact O-N 2.78Å; V132-L136 HydrophobicContact CG1-CD1 3.93Å; V132-L136 HydrophobicContact CG1-CG 4.3Å; V132-L136 WeakPolarHBondContact O-CB 3.34Å; V132-L136 VanDerWaalsContact O-CG 3.26Å; V132-L136 WeakPolarHBondContact O-CG 3.45Å; V132-L136 PolarHBondContact O-N 2.96Å
133E94.2Very high92.3Very high78 Ų7879.9 Ų79.936%0.36441%0.409SS..Hα-helixtrans-59.4-44.5176-173.9-176.9-17800111.6V128 N129 L136 K137V128-E133 HydrophobicContact CB-CB 4.43Å; V128-E133 HydrophobicContact CG1-CB 4.21Å; N129-E133 PolarHBondContact O-N 3.33Å; E133-L136 PolarHBondContact O-N 3.37Å; E133-K137 HydrophobicContact CG-CD 4.21Å; E133-K137 WeakPolarHBondContact O-CB 3.37Å; E133-K137 VanDerWaalsContact O-CG 3.32Å; E133-K137 WeakPolarHBondContact O-CG 3.43Å; E133-K137 PolarHBondContact O-N 3.34Å; E133-K137 WeakPolarHBondContact OE1-CE 3.38Å; E133-K137 IonicContact OE1-NZ 2.61Å; E133-K137 PolarHBondContact OE1-NZ 2.94Å
134R96Very high92.6Very high76 Ų7680.9 Ų80.929%0.28741%0.406SS..Hα-helixtrans-56.6-53.4174.2177.7-172.265.879-2.6110.9L93 A94 L96 K130 E131 V132 L136 K137 E138L93-R134 PolarHBondContact O-NH2 2.86Å; A94-R134 PolarHBondContact O-NH2 3.25Å; L96-R134 PolarHBondContact O-NH1 3.42Å; L96-R134 PolarHBondContact O-NH2 2.99Å; L96-R134 VanDerWaalsContact O-NH2 3.13Å; K130-R134 WeakPolarHBondContact O-CB 3.46Å; K130-R134 PolarHBondContact O-N 3.14Å; E131-R134 WeakPolarHBondContact O-CB 3.36Å; E131-R134 PolarHBondContact O-N 3.2Å; V132-R134 VanDerWaalsContact C-N 3.34Å; V132-R134 PolarHBondContact O-N 2.83Å; R134-L136 PolarHBondContact O-N 3.11Å; R134-K137 PolarHBondContact O-N 3.16Å; R134-E138 WeakPolarHBondContact CD-OE1 3.42Å; R134-E138 HydrophobicContact CG-CG 4.4Å; R134-E138 VanDerWaalsContact CG-OE1 3.23Å; R134-E138 WeakPolarHBondContact CG-OE1 3.49Å; R134-E138 IonicContact CZ-OE1 3.64Å; R134-E138 VanDerWaalsContact NH1-CD 3.29Å; R134-E138 IonicContact NH1-OE1 3.69Å; R134-E138 PolarHBondContact NH1-OE1 3.09Å; R134-E138 IonicContact NH1-OE2 3.38Å; R134-E138 PolarHBondContact NH1-OE2 3.46Å; R134-E138 WeakPolarHBondContact O-CB 3.35Å; R134-E138 WeakPolarHBondContact O-CG 3.21Å; R134-E138 PolarHBondContact O-N 3.3Å
135V95.1Very high93.2Very high1 Ų174.2 Ų74.21%0.00638%0.383CS..Hα-helixtrans-59.3-46.9-179.3167.50000111L93 L96 F106 E131 V132 K137 E138 F139L93-V135 HydrophobicContact CD1-CG2 3.98Å; L93-V135 HydrophobicContact CG-CG2 4.4Å; L96-V135 HydrophobicContact CB-CG2 4.18Å; L96-V135 HydrophobicContact CD2-CB 4.38Å; L96-V135 HydrophobicContact CD2-CG1 3.56Å; L96-V135 HydrophobicContact CD2-CG2 3.85Å; L96-V135 HydrophobicContact CG-CG1 4.29Å; L96-V135 HydrophobicContact CG-CG2 4.05Å; F106-V135 HydrophobicContact CZ-CG1 4.16Å; E131-V135 VanDerWaalsContact O-CG2 3.3Å; E131-V135 WeakPolarHBondContact O-CG2 3.13Å; E131-V135 PolarHBondContact O-N 2.68Å; V132-V135 PolarHBondContact O-N 2.78Å; V135-K137 VanDerWaalsContact C-N 3.34Å; V135-K137 PolarHBondContact O-N 3.15Å; V135-E138 PolarHBondContact O-N 3.2Å; V135-F139 HydrophobicContact CG1-CD2 3.82Å; V135-F139 HydrophobicContact CG1-CE2 3.89Å; V135-F139 VanDerWaalsContact O-CD2 3.3Å; V135-F139 WeakPolarHBondContact O-CD2 3.44Å; V135-F139 PolarHBondContact O-N 2.59Å
136L94.5Very high93.7Very high46 Ų4670 Ų7024%0.24136%0.36CS..Hα-helixtrans-60.1-44178.6-71.2174.2000111.8F106 V132 E133 R134 H140 I146F106-L136 HydrophobicContact CD2-CD2 4.34Å; F106-L136 HydrophobicContact CE2-CD2 3.57Å; F106-L136 HydrophobicContact CZ-CD2 3.79Å; F106-L136 HydrophobicContact CZ-CG 4.26Å; V132-L136 HydrophobicContact CG1-CD1 3.93Å; V132-L136 HydrophobicContact CG1-CG 4.3Å; V132-L136 WeakPolarHBondContact O-CB 3.34Å; V132-L136 VanDerWaalsContact O-CG 3.26Å; V132-L136 WeakPolarHBondContact O-CG 3.45Å; V132-L136 PolarHBondContact O-N 2.96Å; E133-L136 PolarHBondContact O-N 3.37Å; R134-L136 PolarHBondContact O-N 3.11Å; L136-H140 WeakPolarHBondContact O-CB 3.2Å; L136-H140 PolarHBondContact O-N 3.17Å; L136-I146 HydrophobicContact CD2-CD1 4.15Å; L136-I146 HydrophobicContact CD2-CG2 3.83Å
137K95.2Very high94Very high107 Ų10768.6 Ų68.647%0.46535%0.353SS..Hα-helixtrans-63.7-45.3176-73.9176-176.7173.30111.8E133 R134 V135 H140 Q141E133-K137 HydrophobicContact CG-CD 4.21Å; E133-K137 WeakPolarHBondContact O-CB 3.37Å; E133-K137 VanDerWaalsContact O-CG 3.32Å; E133-K137 WeakPolarHBondContact O-CG 3.43Å; E133-K137 PolarHBondContact O-N 3.34Å; E133-K137 WeakPolarHBondContact OE1-CE 3.38Å; E133-K137 IonicContact OE1-NZ 2.61Å; E133-K137 PolarHBondContact OE1-NZ 2.94Å; R134-K137 PolarHBondContact O-N 3.16Å; V135-K137 VanDerWaalsContact C-N 3.34Å; V135-K137 PolarHBondContact O-N 3.15Å; K137-H140 PolarHBondContact O-N 3.31Å; K137-Q141 WeakPolarHBondContact O-CB 3.12Å; K137-Q141 WeakPolarHBondContact O-CG 3.38Å; K137-Q141 PolarHBondContact O-N 2.81Å
138E95.5Very high93.8Very high55 Ų5565.2 Ų65.226%0.25734%0.339SS..Hα-helixtrans-60.7-48.7179.4-76.6179-161.500112.2A98 R134 V135 H140 Q141 A142A98-E138 HydrophobicContact CB-CB 3.79Å; A98-E138 PolarHBondContact N-OE2 3.33Å; R134-E138 WeakPolarHBondContact CD-OE1 3.42Å; R134-E138 HydrophobicContact CG-CG 4.4Å; R134-E138 VanDerWaalsContact CG-OE1 3.23Å; R134-E138 WeakPolarHBondContact CG-OE1 3.49Å; R134-E138 IonicContact CZ-OE1 3.64Å; R134-E138 VanDerWaalsContact NH1-CD 3.29Å; R134-E138 IonicContact NH1-OE1 3.69Å; R134-E138 PolarHBondContact NH1-OE1 3.09Å; R134-E138 IonicContact NH1-OE2 3.38Å; R134-E138 PolarHBondContact NH1-OE2 3.46Å; R134-E138 WeakPolarHBondContact O-CB 3.35Å; R134-E138 WeakPolarHBondContact O-CG 3.21Å; R134-E138 PolarHBondContact O-N 3.3Å; V135-E138 PolarHBondContact O-N 3.2Å; E138-H140 VanDerWaalsContact C-N 3.34Å; E138-H140 PolarHBondContact O-N 2.76Å; E138-Q141 PolarHBondContact O-N 2.84Å; E138-A142 VanDerWaalsContact O-CB 3.28Å; E138-A142 WeakPolarHBondContact O-CB 3.19Å; E138-A142 PolarHBondContact O-N 3.38Å
139F95.8Very high92.8Very high0 Ų063.9 Ų63.90%033%0.333CS..Hα-helixtrans-65.7-38.7178.5-84.9-100.1000111.7A19 L96 A98 H101 A104 V135 A142 G143 K144 I146A19-F139 HydrophobicContact CB-CZ 4.28Å; L96-F139 HydrophobicContact CD1-CE2 4.27Å; L96-F139 HydrophobicContact CD1-CZ 4.32Å; L96-F139 HydrophobicContact CD2-CE2 4.32Å; L96-F139 HydrophobicContact CG-CE2 4.27Å; A98-F139 HydrophobicContact CB-CD1 4.49Å; A98-F139 HydrophobicContact CB-CD2 3.65Å; A98-F139 HydrophobicContact CB-CE2 3.81Å; A98-F139 HydrophobicContact CB-CG 4.04Å; A98-F139 HydrophobicContact CB-CZ 4.29Å; H101-F139 HydrophobicContact CB-CE1 3.99Å; H101-F139 HydrophobicContact CB-CZ 3.73Å; A104-F139 HydrophobicContact CB-CD1 3.81Å; A104-F139 HydrophobicContact CB-CD2 4.18Å; A104-F139 HydrophobicContact CB-CE1 3.71Å; A104-F139 HydrophobicContact CB-CE2 4.06Å; A104-F139 HydrophobicContact CB-CG 4.04Å; A104-F139 HydrophobicContact CB-CZ 3.81Å; V135-F139 HydrophobicContact CG1-CD2 3.82Å; V135-F139 HydrophobicContact CG1-CE2 3.89Å; V135-F139 VanDerWaalsContact O-CD2 3.3Å; V135-F139 WeakPolarHBondContact O-CD2 3.44Å; V135-F139 PolarHBondContact O-N 2.59Å; F139-A142 PolarHBondContact O-N 2.98Å; F139-G143 PolarHBondContact O-N 3.1Å; F139-K144 HydrophobicContact CB-CB 4.43Å; F139-K144 HydrophobicContact CD1-CB 3.74Å; F139-K144 HydrophobicContact CD1-CD 4.24Å; F139-K144 HydrophobicContact CE1-CD 4.44Å; F139-K144 PolarHBondContact O-N 3Å; F139-I146 HydrophobicContact CB-CD1 3.69Å; F139-I146 HydrophobicContact CB-CG1 3.76Å
140H94.6Very high91.1Very high145 Ų14565.9 Ų65.967%0.67134%0.343SS*.Hα-helixtrans-65.1-47.4177.2-176.769.5000112.1L136 K137 E138 A142 G143 I146L136-H140 WeakPolarHBondContact O-CB 3.2Å; L136-H140 PolarHBondContact O-N 3.17Å; K137-H140 PolarHBondContact O-N 3.31Å; E138-H140 VanDerWaalsContact C-N 3.34Å; E138-H140 PolarHBondContact O-N 2.76Å; H140-A142 VanDerWaalsContact C-N 3.27Å; H140-A142 PolarHBondContact O-N 2.91Å; H140-G143 PolarHBondContact O-N 3.11Å; H140-I146 HydrophobicContact CB-CD1 4.38Å
141Q95.3Very high88.9Confident157 Ų15765.8 Ų65.873%0.73434%0.342SS*.Hα-helixtrans-62-35.9176.9-73.2171.44.300111.9K137 E138 G143K137-Q141 WeakPolarHBondContact O-CB 3.12Å; K137-Q141 WeakPolarHBondContact O-CG 3.38Å; K137-Q141 PolarHBondContact O-N 2.81Å; E138-Q141 PolarHBondContact O-N 2.84Å; Q141-G143 PolarHBondContact O-N 3Å
142A94.3Very high86.3Confident53 Ų5368.6 Ų68.644%0.43836%0.359SS..THydrogen-bonded Turntrans-75-1.7174.700000113.8E138 F139 H140 K144E138-A142 VanDerWaalsContact O-CB 3.28Å; E138-A142 WeakPolarHBondContact O-CB 3.19Å; E138-A142 PolarHBondContact O-N 3.38Å; F139-A142 PolarHBondContact O-N 2.98Å; H140-A142 VanDerWaalsContact C-N 3.27Å; H140-A142 PolarHBondContact O-N 2.91Å; A142-K144 HydrophobicContact CB-CD 3.98Å; A142-K144 HydrophobicContact CB-CG 3.87Å; A142-K144 PolarHBondContact O-N 3.23Å
143G93.9Very high83.7Confident64 Ų6472 Ų7266%0.6638%0.377SS*.THydrogen-bonded Turntrans65.722.8-177.300000113.5F139 H140 Q141F139-G143 PolarHBondContact O-N 3.1Å; H140-G143 PolarHBondContact O-N 3.11Å; Q141-G143 PolarHBondContact O-N 3Å
144K94.3Very high80.8Confident49 Ų4974 Ų7421%0.21340%0.397CS..  trans-89.5141.9-175.8-65.4-175.5178-170.40110.7A98 H101 F139 A142 I146A98-K144 PolarHBondContact O-NZ 2.76Å; H101-K144 VanDerWaalsContact O-CD 3.24Å; H101-K144 WeakPolarHBondContact O-CD 3.47Å; H101-K144 WeakPolarHBondContact O-CE 3.36Å; H101-K144 PolarHBondContact O-NZ 3.14Å; F139-K144 HydrophobicContact CB-CB 4.43Å; F139-K144 HydrophobicContact CD1-CB 3.74Å; F139-K144 HydrophobicContact CD1-CD 4.24Å; F139-K144 HydrophobicContact CE1-CD 4.44Å; F139-K144 PolarHBondContact O-N 3Å; A142-K144 HydrophobicContact CB-CD 3.98Å; A142-K144 HydrophobicContact CB-CG 3.87Å; A142-K144 PolarHBondContact O-N 3.23Å; K144-I146 PolarHBondContact O-N 3.44Å
145P95.3Very high78.2Confident63 Ų6374.1 Ų74.141%0.40942%0.421SS..  trans-62.8136.3178.624.9-35000111.9D102 A103 A104 W164D102-P145 VanDerWaalsContact O-CD 3.3Å; D102-P145 WeakPolarHBondContact O-CD 3.47Å; A103-P145 WeakPolarHBondContact CA-O 3.25Å; A103-P145 HydrophobicContact CB-CG 3.84Å; A104-P145 PolarHBondContact N-O 3.16Å; A104-P145 VanDerWaalsContact N-O 3.17Å; P145-W164 HydrophobicContact CB-CH2 4.14Å
146I95.1Very high75.5Confident48 Ų4879.4 Ų79.425%0.24645%0.446CS..EExtended strand (participates in β ladder)trans-121.4120.7173.7-47.2175.1000108.2A104 F106 L136 F139 H140 K144 H148A104-I146 HydrophobicContact CB-CG2 4.42Å; A104-I146 CarbonylContact O-C 3.56Å; A104-I146 WeakPolarHBondContact O-CA 3.42Å; F106-I146 HydrophobicContact CD2-CG2 3.99Å; F106-I146 HydrophobicContact CE2-CG2 3.79Å; L136-I146 HydrophobicContact CD2-CD1 4.15Å; L136-I146 HydrophobicContact CD2-CG2 3.83Å; F139-I146 HydrophobicContact CB-CD1 3.69Å; F139-I146 HydrophobicContact CB-CG1 3.76Å; H140-I146 HydrophobicContact CB-CD1 4.38Å; K144-I146 PolarHBondContact O-N 3.44Å; I146-H148 WeakPolarHBondContact CG2-CE1 3.45Å
147G92.2Very high72.2Confident14 Ų1481.8 Ų81.814%0.14447%0.465CS..EExtended strand (participates in β ladder)trans-100.6137176.100000111.3A104 I105 F106A104-G147 PolarHBondContact O-N 3.19Å; I105-G147 CarbonylContact C-O 3.51Å; I105-G147 WeakPolarHBondContact CA-O 3.15Å; F106-G147 PolarHBondContact N-O 3.33Å
148H85.8Confident69.2Low82 Ų8282.8 Ų82.838%0.3848%0.482SS..EExtended strand (participates in β ladder)trans-134.3135.4170.7-56.785.3000108.6F106 I146 L150F106-H148 AromaticContact CD2-CD2 3.65Å; F106-H148 AromaticContact CD2-NE2 3.44Å; F106-H148 WeakPolarHBondContact CD2-NE2 3.43Å; F106-H148 AromaticContact CE2-NE2 3.96Å; F106-H148 AromaticContact CG-CD2 3.75Å; F106-H148 AromaticContact CG-NE2 3.92Å; F106-H148 WeakPolarHBondContact O-CA 3.42Å; I146-H148 WeakPolarHBondContact CG2-CE1 3.45Å; H148-L150 HydrophobicContact CB-CD1 4.13Å
149S69.5Low66.1Low33 Ų3383.7 Ų83.723%0.23151%0.507CS..  trans-104.977.4173.9-560000109.5E35 F106 G108 K151E35-S149 WeakPolarHBondContact OE1-CB 3.33Å; E35-S149 PolarHBondContact OE1-OG 2.93Å; E35-S149 WeakPolarHBondContact OE2-CB 3.44Å; F106-S149 PolarHBondContact O-N 2.89Å; G108-S149 VanDerWaalsContact CA-O 3.29Å; G108-S149 WeakPolarHBondContact CA-O 3.49Å; S149-K151 PolarHBondContact O-N 3.08Å
150L55.7Low62.9Low80 Ų8093.8 Ų93.842%0.41955%0.545SS..  trans-94.291.2176-74.1154.4000108.3H148 L153H148-L150 HydrophobicContact CB-CD1 4.13Å; L150-L153 HydrophobicContact CB-CD1 4.37Å; L150-L153 HydrophobicContact CB-CG 4.25Å; L150-L153 HydrophobicContact CD1-CD1 3.75Å; L150-L153 HydrophobicContact CD1-CG 4.24Å; L150-L153 HydrophobicContact CD2-CG 4.15Å; L150-L153 HydrophobicContact CG-CD1 4.44Å; L150-L153 HydrophobicContact CG-CG 4.44Å
151K47.1Very low59.6Low174 Ų17492 Ų9276%0.75755%0.546SS*.SBendtrans-71.4-17.9164.8-79.7-175.2176.9173.40112.4S149S149-K151 PolarHBondContact O-N 3.08Å
152D39.3Very low56.7Low110 Ų11091 Ų9159%0.58855%0.545SS*.  trans-123.122.3-165.5-58.3-49.4000116
153L39.2Very low53.3Low78 Ų7897.6 Ų97.641%0.40856%0.564SS.*SBendtrans-80.5133.4160.1-75.9-179.7000109.7F119 L150 G155 H156F119-L153 HydrophobicContact CE1-CD2 3.9Å; F119-L153 HydrophobicContact CE2-CD2 4.37Å; F119-L153 HydrophobicContact CZ-CD2 3.8Å; L150-L153 HydrophobicContact CB-CD1 4.37Å; L150-L153 HydrophobicContact CB-CG 4.25Å; L150-L153 HydrophobicContact CD1-CD1 3.75Å; L150-L153 HydrophobicContact CD1-CG 4.24Å; L150-L153 HydrophobicContact CD2-CG 4.15Å; L150-L153 HydrophobicContact CG-CD1 4.44Å; L150-L153 HydrophobicContact CG-CG 4.44Å; L153-G155 PolarHBondContact O-N 3.06Å; L153-H156 PolarHBondContact O-N 2.92Å
154P33.6Very low50.3Low120 Ų120101.4 Ų101.478%0.77956%0.559SS**THydrogen-bonded Turntrans-60.5106.1172.123.7-30.6000109.2
155G40.6Very low47.1Very low78 Ų78102.1 Ų102.180%0.80457%0.57SS**THydrogen-bonded Turntrans142.9-7.8-17900000116.3L153L153-G155 PolarHBondContact O-N 3.06Å
156H37.8Very low44Very low111 Ų111105.9 Ų105.951%0.51459%0.586SS.*PPolyproline II helixtrans-87.8120.5178-16274.2000112.3L153 P158L153-H156 PolarHBondContact O-N 2.92Å; H156-P158 WeakPolarHBondContact O-CD 3.35Å
157C26.7Very low40.7Very low96 Ų96113.9 Ų113.965%0.64961%0.613SS**PPolyproline II helixtrans-75.4119.7171.1-77.40000110.4G159C157-G159 PolarHBondContact O-N 3.44Å
158P32.4Very low37.6Very low128 Ų128119.3 Ų119.383%0.83163%0.632SS**THydrogen-bonded Turntrans-70.5127.4173.128.8-30.4000109.3H156H156-P158 WeakPolarHBondContact O-CD 3.35Å
159G30.5Very low34.9Very low75 Ų75125.4 Ų125.477%0.77365%0.652SS**THydrogen-bonded Turntrans141-6.8172.200000116.8C157C157-G159 PolarHBondContact O-N 3.44Å
160R26.9Very low32.8Very low212 Ų212127 Ų12780%0.866%0.663SS**  trans-96.8116.2166.4-90.1-174.9-96.7-106.81.4109.5L162R160-L162 PolarHBondContact O-N 2.95Å
161P26.4Very low31.5Very low106 Ų106133.3 Ų133.369%0.68868%0.681SS**  trans-58.2129.4166.523.2-29.4000107.5K163P161-K163 PolarHBondContact O-N 2.96Å
162L34Very low30.5Very low137 Ų137129.3 Ų129.372%0.71767%0.667SS**  trans-58.991.5162.1-92.4122.3000106.6R160 W164R160-L162 PolarHBondContact O-N 2.95Å; L162-W164 PolarHBondContact O-N 2.62Å
163K23.4Very low30.1Very low191 Ų191135.3 Ų135.383%0.8368%0.682SS**  trans-69.482.6164.3-90.6-167.6176.3-175.10106.6P161 S165P161-K163 PolarHBondContact O-N 2.96Å; K163-S165 PolarHBondContact O-N 3.38Å
164W30.1Very low29.5Very low145 Ų145135.2 Ų135.255%0.54969%0.692SS.*  trans-70.484.2159.3-169.1-103.3000107.6P145 L162 L166P145-W164 HydrophobicContact CB-CH2 4.14Å; L162-W164 PolarHBondContact O-N 2.62Å; W164-L166 HydrophobicContact CZ2-CD1 4.37Å
165S26.8Very low29.5Very low64 Ų64135.3 Ų135.345%0.44869%0.693SS.*  trans-101.4104.2166.3-163.40000106.6K163 R167K163-S165 PolarHBondContact O-N 3.38Å; S165-R167 PolarHBondContact O-N 2.87Å; S165-R167 VanDerWaalsContact OG-CD 3.29Å; S165-R167 WeakPolarHBondContact OG-CD 3.24Å; S165-R167 WeakPolarHBondContact OG-CG 3.27Å; S165-R167 PolarHBondContact OG-NE 2.86Å; S165-R167 VanDerWaalsContact OG-NE 3.08Å
166L30.1Very low29.2Very low142 Ų142141.4 Ų141.474%0.74370%0.7SS**  trans-62.768155.5-99.9135.8000108.3W164W164-L166 HydrophobicContact CZ2-CD1 4.37Å
167R26.3Very low29.4Very low215 Ų215140.2 Ų140.281%0.81172%0.718SS**  trans-92.2105.7170.1-94.2172.3-154.2-100.64.5107.6S165 R169S165-R167 PolarHBondContact O-N 2.87Å; S165-R167 VanDerWaalsContact OG-CD 3.29Å; S165-R167 WeakPolarHBondContact OG-CD 3.24Å; S165-R167 WeakPolarHBondContact OG-CG 3.27Å; S165-R167 PolarHBondContact OG-NE 2.86Å; S165-R167 VanDerWaalsContact OG-NE 3.08Å; R167-R169 PolarHBondContact O-N 3.19Å
168K27.1Very low29.6Very low129 Ų129138.5 Ų138.556%0.56172%0.717SS**  trans-57.6130.6168.8-59.1-171.4-180-156.70109.1R13R13-K168 VanDerWaalsContact NH1-CE 3.28Å
169R29.6Very low29.5Very low209 Ų209138.8 Ų138.879%0.78972%0.719SS**  trans-130.9117.3167.8-154.9-174.4-69.6-131.15.1109.4R167 T185 A186R167-R169 PolarHBondContact O-N 3.19Å; R169-T185 CarbonylContact C-O 3.59Å; R169-A186 VanDerWaalsContact O-CA 3.3Å; R169-A186 WeakPolarHBondContact O-CA 3.22Å
170C24.2Very low29.3Very low68 Ų68141.2 Ų141.246%0.45972%0.722SS.*BIsolated β-bridgetrans-69.2139.2-179.5-33.10000113.8V184 T185C170-V184 HydrophobicContact CB-CB 3.54Å; C170-V184 HydrophobicContact CB-CG1 3.47Å; C170-V184 VanDerWaalsContact CB-CG1 3.47Å; C170-V184 HydrophobicContact CB-CG2 3.53Å; C170-V184 WeakPolarHBondContact SG-CB 3.44Å; C170-V184 WeakPolarHBondContact SG-CG1 3.45Å; C170-V184 WeakPolarHBondContact SG-CG2 3.35Å; C170-T185 CarbonylContact C-O 3.13Å; C170-T185 WeakPolarHBondContact CA-O 3.46Å
171R28.9Very low29.3Very low212 Ų212136.9 Ų136.980%0.872%0.723SS**  trans-155.672.1160.5-132.2-179.1-146.7-129.62.3114.4T185R171-T185 PolarHBondContact N-O 3.37Å; R171-T185 PolarHBondContact N-OG1 3.38Å; R171-T185 PolarHBondContact O-OG1 3.38Å
172L26.7Very low29.4Very low90 Ų90137.2 Ų137.247%0.47173%0.728SS.*PPolyproline II helixtrans-96.8130.8162.7-78.1166.6000109.9R183 T185L172-R183 HydrophobicContact CD1-CB 3.49Å; L172-R183 VanDerWaalsContact CD1-CB 3.49Å; L172-R183 HydrophobicContact CD1-CG 3.3Å; L172-T185 HydrophobicContact CD1-CG2 3.88Å; L172-T185 HydrophobicContact CD2-CG2 3.48Å; L172-T185 VanDerWaalsContact CD2-CG2 3.48Å; L172-T185 HydrophobicContact CG-CG2 3.47Å; L172-T185 VanDerWaalsContact CG-CG2 3.47Å; L172-T185 WeakPolarHBondContact CG-OG1 3.4Å; L172-T185 PolarHBondContact N-OG1 3.08Å
173R30.5Very low29.1Very low235 Ų235140.4 Ų140.489%0.88773%0.731SS**PPolyproline II helixtrans-96.3125.3164.3-156-178-74.8-113.97.6106.1
174A28Very low29.2Very low76 Ų76134.9 Ų134.963%0.62871%0.713SS**PPolyproline II helixtrans-80.6153.2-174.400000112.2
175P32.2Very low29.1Very low123 Ų123130.7 Ų130.780%0.79970%0.703SS**PPolyproline II helixtrans-77.3146160.333.1-28.7000109.7G177P175-G177 PolarHBondContact O-N 3.25Å
176E35.3Very low29.1Very low205 Ų205131.8 Ų131.896%0.95872%0.716SS**SBendtrans-62.8126.5-176-65-99.7137.100111.6
177G41.2Very low28.8Very low86 Ų86128.1 Ų128.189%0.88771%0.713SS**SBendtrans115.469.2162.600000117.3P175P175-G177 PolarHBondContact O-N 3.25Å
178G31.1Very low28.8Very low60 Ų60124 Ų12462%0.61971%0.711SS**SBendtrans166.1148.5167.100000113C180G178-C180 PolarHBondContact O-N 3.5Å
179P29.9Very low28.6Very low135 Ų135127.2 Ų127.288%0.87773%0.725SS**  trans-59.4125.8-165.521.2-30.3000112.4C181P179-C181 PolarHBondContact O-N 3.28Å
180C26.2Very low28.4Very low125 Ų125123.1 Ų123.185%0.84572%0.723SS**  trans-66.199.9-162.2-162.70000112.6G178G178-C180 PolarHBondContact O-N 3.5Å
181C27.8Very low28.4Very low122 Ų122124 Ų12482%0.82473%0.73SS**  trans-94.8110.5171.6-161.20000108.7P179 R183P179-C181 PolarHBondContact O-N 3.28Å; C181-R183 PolarHBondContact O-N 3.06Å
182S27.2Very low28Very low112 Ų112119.3 Ų119.378%0.78373%0.727SS**  trans-70.396-169.958.80000112.9
183R28.9Very low28Very low205 Ų205124.3 Ų124.377%0.77475%0.75SS**  trans-91.5146.3175.4-162.8-174.4-88-154.7-3.9111.1L172 C181L172-R183 HydrophobicContact CD1-CB 3.49Å; L172-R183 VanDerWaalsContact CD1-CB 3.49Å; L172-R183 HydrophobicContact CD1-CG 3.3Å; C181-R183 PolarHBondContact O-N 3.06Å
184V25.2Very low27.7Very low75 Ų75118.4 Ų118.446%0.45574%0.74SS.*  trans-125.2100.4-161.4163.90000111.5C170C170-V184 HydrophobicContact CB-CB 3.54Å; C170-V184 HydrophobicContact CB-CG1 3.47Å; C170-V184 VanDerWaalsContact CB-CG1 3.47Å; C170-V184 HydrophobicContact CB-CG2 3.53Å; C170-V184 WeakPolarHBondContact SG-CB 3.44Å; C170-V184 WeakPolarHBondContact SG-CG1 3.45Å; C170-V184 WeakPolarHBondContact SG-CG2 3.35Å
185T27.2Very low27.7Very low56 Ų56120.1 Ų120.134%0.34475%0.747SS.*  trans-91.7138.316840.30000111.7R169 C170 R171 L172R169-T185 CarbonylContact C-O 3.59Å; C170-T185 CarbonylContact C-O 3.13Å; C170-T185 WeakPolarHBondContact CA-O 3.46Å; R171-T185 PolarHBondContact N-O 3.37Å; R171-T185 PolarHBondContact N-OG1 3.38Å; R171-T185 PolarHBondContact O-OG1 3.38Å; L172-T185 HydrophobicContact CD1-CG2 3.88Å; L172-T185 HydrophobicContact CD2-CG2 3.48Å; L172-T185 VanDerWaalsContact CD2-CG2 3.48Å; L172-T185 HydrophobicContact CG-CG2 3.47Å; L172-T185 VanDerWaalsContact CG-CG2 3.47Å; L172-T185 WeakPolarHBondContact CG-OG1 3.4Å; L172-T185 PolarHBondContact N-OG1 3.08Å
186A28.1Very low27.3Very low87 Ų87120.3 Ų120.372%0.71975%0.746SS**BIsolated β-bridgetrans-87.4125.2177.800000111.5R169R169-A186 VanDerWaalsContact O-CA 3.3Å; R169-A186 WeakPolarHBondContact O-CA 3.22Å
187G23.2Very low27.1Very low66 Ų66116.2 Ų116.268%0.6874%0.74SS**  trans-111.1126.8167.200000110.6
188V27.2Very low26.7Very low128 Ų128115.8 Ų115.878%0.77674%0.736SS**  trans-83.2124.8170.8177.40000108V190V188-V190 HydrophobicContact CG1-CG2 4.06Å; V188-V190 PolarHBondContact O-N 2.95Å
189K21.3Very low26.4Very low197 Ų197118.8 Ų118.886%0.85775%0.748SS**  trans-85.496.5172.6-161.5179.6-174.4-174.60108.5
190V26.1Very low26.2Very low123 Ų123123.8 Ų123.875%0.74575%0.749SS**PPolyproline II helixtrans-84.7119.1163.1-176.20000106.5V188V188-V190 HydrophobicContact CG1-CG2 4.06Å; V188-V190 PolarHBondContact O-N 2.95Å
191S23.9Very low26.2Very low86 Ų86123.3 Ų123.360%0.60174%0.744SS**PPolyproline II helixtrans-85.7138.3170.3-590000108.5M193S191-M193 PolarHBondContact O-N 3.43Å
192P21.5Very low26.2Very low114 Ų114123.1 Ų123.174%0.7474%0.743SS**PPolyproline II helixtrans-65.9130.7174.626.7-30.6000109.1V194P192-V194 PolarHBondContact O-N 2.81Å
193M25.6Very low26.2Very low194 Ų194126.3 Ų126.396%0.95675%0.746SS**  trans-73.393.4172.3-161.4169.2-175.100107.4S191 S195S191-M193 PolarHBondContact O-N 3.43Å; M193-S195 PolarHBondContact O-N 2.85Å
194V23.9Very low26.1Very low112 Ų112127.3 Ų127.368%0.67975%0.749SS**  trans-72.1116.4164.6171.30000107P192 T196P192-V194 PolarHBondContact O-N 2.81Å; V194-T196 HydrophobicContact CG1-CG2 4.33Å; V194-T196 PolarHBondContact O-N 3.42Å
195S28.1Very low26.2Very low111 Ų111128 Ų12878%0.77676%0.758SS**  trans-62.8110.8165.8167.10000108.8M193M193-S195 PolarHBondContact O-N 2.85Å
196T23.9Very low26.5Very low127 Ų127129 Ų12978%0.77976%0.763SS**  trans-112.1111.915649.10000107.5V194V194-T196 HydrophobicContact CG1-CG2 4.33Å; V194-T196 PolarHBondContact O-N 3.42Å
197S31.8Very low26.5Very low119 Ų119130.1 Ų130.183%0.83276%0.764SS**  trans-55.3142.7173.544.40000112.1
198G32.5Very low27.1Very low77 Ų77129.7 Ų129.779%0.79474%0.742SS**  trans123.678155.700000116.1
199S25.8Very low27.3Very low124 Ų124128.1 Ų128.187%0.86773%0.727SS**  trans-166.2133.2142.852.60000110.6
200R24.4Very low27.8Very low239 Ų239122.1 Ų122.190%0.90271%0.71SS**  trans-56144.9-169.5-58.1173.1-170.1-163.10.7113.2C202R200-C202 PolarHBondContact O-N 2.85Å
201P27.1Very low28Very low115 Ų115119.7 Ų119.775%0.74770%0.703SS**  trans-74.8117.4175.628.3-29.6000110.6Q203P201-Q203 PolarHBondContact O-N 2.98Å; P201-Q203 VanDerWaalsContact O-N 3.13Å
202C26.6Very low28.7Very low118 Ų118119.7 Ų119.780%0.79769%0.693SS**  trans-76.890.5164.2-1650000107.5R200 R204R200-C202 PolarHBondContact O-N 2.85Å; C202-R204 VanDerWaalsContact C-N 3.35Å; C202-R204 PolarHBondContact O-N 3.43Å
203Q28.7Very low29.2Very low180 Ų180124.9 Ų124.984%0.84170%0.698SS**  trans-70.492.6168.7-74.4179.9-13.300108.2P201P201-Q203 PolarHBondContact O-N 2.98Å; P201-Q203 VanDerWaalsContact O-N 3.13Å
204R26.7Very low29.5Very low225 Ų225123.9 Ų123.985%0.84969%0.691SS**  trans-90.899.2154.6-89-173.5174.2-143.7-1.3107.1C202 V206C202-R204 VanDerWaalsContact C-N 3.35Å; C202-R204 PolarHBondContact O-N 3.43Å; R204-V206 PolarHBondContact O-N 3.31Å
205S27.2Very low29.8Very low91 Ų91127 Ų12764%0.63670%0.698SS**  trans-54.2121.7166.646.30000109.6
206V32.6Very low29.9Very low75 Ų75127.4 Ų127.446%0.45570%0.698SS.*  trans-71.7121.7166.6-155.90000105.9R204 W208 M209R204-V206 PolarHBondContact O-N 3.31Å; V206-W208 PolarHBondContact O-N 2.72Å; V206-M209 HydrophobicContact CG2-SD 4.18Å; V206-M209 PolarHBondContact O-N 2.91Å
207P29.1Very low30.3Very low112 Ų112130.2 Ų130.273%0.72770%0.704SS**Hα-helixtrans-53.4-32.2-170-28.434.2000114S210P207-S210 WeakPolarHBondContact O-CB 3.35Å; P207-S210 PolarHBondContact O-N 2.71Å
208W35.7Very low30.1Very low57 Ų57129 Ų12922%0.21670%0.702CS.*Hα-helixtrans-73.7-32.2-179.8118-88.9000114.1V206 S210 A211 Q212V206-W208 PolarHBondContact O-N 2.72Å; W208-S210 PolarHBondContact O-N 2.97Å; W208-A211 WeakPolarHBondContact O-CB 3.42Å; W208-A211 PolarHBondContact O-N 2.8Å; W208-Q212 HydrophobicContact CE3-CG 4.12Å; W208-Q212 HydrophobicContact CH2-CG 4.11Å; W208-Q212 HydrophobicContact CZ3-CG 3.69Å
209M30.8Very low30.2Very low94 Ų94133.5 Ų133.546%0.46371%0.707SS.*Hα-helixtrans-64.3-23.1174.9-85.7-179.915400111.9V206V206-M209 HydrophobicContact CG2-SD 4.18Å; V206-M209 PolarHBondContact O-N 2.91Å
210S31.9Very low30.5Very low72 Ų72132.5 Ų132.550%0.50370%0.7SS.*Hα-helixtrans-80-23.1177-43.80000111.8P207 W208 Q212P207-S210 WeakPolarHBondContact O-CB 3.35Å; P207-S210 PolarHBondContact O-N 2.71Å; W208-S210 PolarHBondContact O-N 2.97Å; S210-Q212 VanDerWaalsContact C-N 3.3Å; S210-Q212 PolarHBondContact O-N 3.35Å
211A31.5Very low30.9Very low72 Ų72126.1 Ų126.160%0.59569%0.692SS**THydrogen-bonded Turntrans-82.2-2.9-18000000113.9W208W208-A211 WeakPolarHBondContact O-CB 3.42Å; W208-A211 PolarHBondContact O-N 2.8Å
212Q36.7Very low31.2Very low86 Ų86127 Ų12740%0.40270%0.695SS.*THydrogen-bonded Turntrans-112.312177.2-60.6-159.9-51.900113.3W208 S210W208-Q212 HydrophobicContact CE3-CG 4.12Å; W208-Q212 HydrophobicContact CH2-CG 4.11Å; W208-Q212 HydrophobicContact CZ3-CG 3.69Å; S210-Q212 VanDerWaalsContact C-N 3.3Å; S210-Q212 PolarHBondContact O-N 3.35Å
213R32.3Very low31.6Very low223 Ų223127.2 Ų127.284%0.84269%0.693SS**SBendtrans-99.63.5-177.7-111.4-178-161.9-93.2-5.4115.3
214E33.1Very low32Very low172 Ų172130 Ų13080%0.80471%0.714SS**  trans-132.6127.5174.9-53.6-156.7162.800106.9
215E29.1Very low32.2Very low178 Ų178125.3 Ų125.383%0.83271%0.707SS**  cis-139.3154.437.3-65.2-157.3129.600114.3
216P31.3Very low32.5Very low120 Ų120127.1 Ų127.178%0.77971%0.71SS**  trans-72.4123.5161.630-29.4000110.3A218P216-A218 PolarHBondContact O-N 3.46Å
217M30.7Very low32.5Very low185 Ų185129.9 Ų129.991%0.91173%0.725SS**  trans-52.2109.7165.4-84.9-172.2-168.900109.6L219M217-L219 PolarHBondContact O-N 3.16Å
218A29Very low32.7Very low95 Ų95131 Ų13179%0.78573%0.725SS**  trans-66.1110.816400000108.4P216 S220P216-A218 PolarHBondContact O-N 3.46Å; A218-S220 PolarHBondContact O-N 3.17Å; A218-S220 VanDerWaalsContact O-N 3.16Å
219L33.1Very low32.5Very low170 Ų170135.6 Ų135.689%0.8976%0.756SS**  trans-61.1108.3159.5-102.480.4000107.9M217M217-L219 PolarHBondContact O-N 3.16Å
220S32.9Very low32.6Very low104 Ų104138.4 Ų138.473%0.72778%0.776SS**  trans-96.9103156.260.90000108.4A218 V222A218-S220 PolarHBondContact O-N 3.17Å; A218-S220 VanDerWaalsContact O-N 3.16Å; S220-V222 PolarHBondContact O-N 3.38Å
221S33.1Very low32.7Very low105 Ų105143.1 Ų143.173%0.73480%0.795SS**  trans-52.5120.8161.147.50000110.3
222V33.4Very low32.8Very low134 Ų134148.6 Ų148.681%0.81281%0.811SS**  trans-96.9106.5159.8179.60000106.5S220S220-V222 PolarHBondContact O-N 3.38Å
223T35.4Very low32.4Very low122 Ų122153.8 Ų153.875%0.74885%0.845SS**  trans-109.4141.116141.40000108.2
224D35.8Very low32.5Very low238 Ų238147.5 Ų147.5100%1.27385%0.845SS**  trans73.70-176.7-75.6-40.9000117.9

Retrieved 224 of 224 residues in 93 ms (Link to these results)

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