A0A096N8K5_PAPAN Loading...

Nucleoplasmin-2

Core histones chaperone involved in chromatin reprogramming, specially during fertilization and early embryonic development. Probably involved in sperm DNA decondensation during fertilization.

AlphaFold DB (A0A5S6R771), UniProt , Accession A0A096N8K5, Species PAPAN (Papio anubis, Olive baboon), Gene NPM2, Length 214 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
1M45.7Very low47.6Very low236 Ų236144.4 Ų144.4100%1.16384%0.843SS**  0134.40-68155.9175.700107.4
2N38.6Very low49Very low166 Ų166141.3 Ų141.389%0.88881%0.812SS**  trans175.889.4161.7-94.5-10.8000105.9
3L46.4Very low50.6Low174 Ų174136.2 Ų136.291%0.91180%0.797SS**  trans-82.8112.4165.2-70.3171.7000106S5L3-S5 PolarHBondContact O-N 3.49Å; L3-S5 VanDerWaalsContact O-N 3.13Å
4S48.4Very low52.9Low119 Ų119131.2 Ų131.283%0.83277%0.769SS**  trans-65.6111.6173.8-57.50000108.5A6S4-A6 PolarHBondContact O-N 3.01Å
5S49.7Very low55.2Low121 Ų121126.3 Ų126.385%0.84674%0.741SS**  trans-58.2106.4173.4-55.60000109.3L3 S7L3-S5 PolarHBondContact O-N 3.49Å; L3-S5 VanDerWaalsContact O-N 3.13Å; S5-S7 PolarHBondContact O-N 2.57Å; S5-S7 VanDerWaalsContact O-N 3.1Å
6A49Very low57.5Low96 Ų96123 Ų12379%0.79372%0.723SS**  trans-66.5109.3167.900000107S4 S8S4-A6 PolarHBondContact O-N 3.01Å; A6-S8 PolarHBondContact O-N 2.74Å; A6-S8 VanDerWaalsContact O-N 3.11Å
7S47.3Very low59.6Low105 Ų105119.2 Ų119.273%0.73470%0.701SS**  trans-58.6117.6171.4-1740000108S5 T9S5-S7 PolarHBondContact O-N 2.57Å; S5-S7 VanDerWaalsContact O-N 3.1Å; S7-T9 VanDerWaalsContact C-N 3.29Å; S7-T9 PolarHBondContact O-N 2.82Å
8S46.3Very low61.6Low111 Ų111120.6 Ų120.678%0.77670%0.704SS**  trans-71.289.5175.8-173.80000108.5A6 E10A6-S8 PolarHBondContact O-N 2.74Å; A6-S8 VanDerWaalsContact O-N 3.11Å; S8-E10 PolarHBondContact O-N 3.25Å
9T48.2Very low63.4Low125 Ų125115 Ų11577%0.76767%0.67SS**  trans-69.291164.250.40000107.7S7 E11S7-T9 VanDerWaalsContact C-N 3.29Å; S7-T9 PolarHBondContact O-N 2.82Å; T9-E11 PolarHBondContact O-N 2.99Å
10E50.8Low65.1Low150 Ų150111.1 Ų111.170%0.70166%0.656SS**  trans-59.1105.8175.4-170176-177.800109.5S8 K12S8-E10 PolarHBondContact O-N 3.25Å; E10-K12 VanDerWaalsContact C-N 3.32Å; E10-K12 PolarHBondContact O-N 2.95Å
11E53.7Low66.7Low185 Ų185106.2 Ų106.286%0.86463%0.627SS**  trans-76.784.1-174.4-169178.2111.700110T9 A13T9-E11 PolarHBondContact O-N 2.99Å; E11-A13 PolarHBondContact O-N 3.3Å
12K64.2Low69.2Low108 Ų10899.1 Ų99.147%0.4759%0.591SS.*  trans-50.1113.2177.9-63.5-175.4179.9-174.20110.4E10 V14 D125E10-K12 VanDerWaalsContact C-N 3.32Å; E10-K12 PolarHBondContact O-N 2.95Å; K12-V14 PolarHBondContact O-N 2.8Å; K12-D125 WeakPolarHBondContact CD-OD1 3.43Å; K12-D125 WeakPolarHBondContact CE-OD1 3.32Å; K12-D125 IonicContact NZ-OD1 2.67Å; K12-D125 PolarHBondContact NZ-OD1 3.48Å; K12-D125 IonicContact NZ-OD2 2.73Å; K12-D125 PolarHBondContact NZ-OD2 2.85Å
13A69.4Low72.1Confident74 Ų7491.2 Ų91.261%0.61255%0.549SS*.  trans-64.894.3-166.900000113.1E11 T15E11-A13 PolarHBondContact O-N 3.3Å; A13-T15 PolarHBondContact O-N 3.33Å
14V82.8Confident74.5Confident67 Ų6783.4 Ų83.441%0.40651%0.509SS..  trans-75113.1176-178.20000109.6K12 T16 R120K12-V14 PolarHBondContact O-N 2.8Å; V14-T16 HydrophobicContact CG1-CG2 4.08Å; V14-R120 HydrophobicContact CG1-CG 3.62Å
15T88Confident76.8Confident57 Ų5782.3 Ų82.335%0.3549%0.49SS..EExtended strand (participates in β ladder)trans-84.1129.1171.3-42.90000109.4A13 Y121A13-T15 PolarHBondContact O-N 3.33Å; T15-Y121 PolarHBondContact N-O 3.48Å; T15-Y121 PolarHBondContact O-N 2.95Å
16T91.5Very high79.1Confident74 Ų7484.4 Ų84.445%0.45449%0.487SS..EExtended strand (participates in β ladder)trans-122.7133.9171.962.30000112V14 Q118 E119 R120V14-T16 HydrophobicContact CG1-CG2 4.08Å; T16-Q118 PolarHBondContact OG1-NE2 3.46Å; T16-E119 CarbonylContact C-O 3.59Å; T16-E119 VanDerWaalsContact CA-O 3.31Å; T16-E119 WeakPolarHBondContact CA-O 3.35Å; T16-R120 HydrophobicContact CG2-CG 4.41Å
17V92.8Very high81.4Confident58 Ų5885.7 Ų85.735%0.35247%0.471SS..EExtended strand (participates in β ladder)trans-119.3138.5176.2-175.10000108.9W19 Q118 E119 Y121V17-W19 PolarHBondContact O-N 2.86Å; V17-Q118 CarbonylContact O-C 3.1Å; V17-Q118 WeakPolarHBondContact O-CA 3.32Å; V17-Q118 WeakPolarHBondContact O-CB 3.16Å; V17-E119 HydrophobicContact CB-CB 4.22Å; V17-E119 HydrophobicContact CB-CG 4.37Å; V17-E119 PolarHBondContact N-O 2.83Å; V17-E119 PolarHBondContact O-N 3.31Å; V17-Y121 HydrophobicContact CG2-CE2 4.25Å
18L95.5Very high83.9Confident145 Ų14586.4 Ų86.476%0.75946%0.458SS*.EExtended strand (participates in β ladder)trans-67.1130.3175.6-178.968.2000110.3
19W96.4Very high86.3Confident14 Ų1484.1 Ų84.15%0.05344%0.439CS..EExtended strand (participates in β ladder)trans-119.8147.7176.3-17882.5000111.8V17 C21 F32 L44 L46 F104 L115 C116 G117 E119V17-W19 PolarHBondContact O-N 2.86Å; W19-C21 HydrophobicContact CH2-CB 4.17Å; W19-C21 WeakPolarHBondContact CH2-SG 3.47Å; W19-C21 HydrophobicContact CZ2-CB 3.97Å; W19-F32 AromaticContact CD1-CD2 3.58Å; W19-F32 AromaticContact CD1-CE2 3.68Å; W19-F32 HydrophobicContact CG-CD2 4.46Å; W19-F32 HydrophobicContact CZ2-CB 4.24Å; W19-F32 AromaticContact NE1-CD2 3.28Å; W19-F32 VanDerWaalsContact NE1-CD2 3.28Å; W19-F32 AromaticContact NE1-CE2 3.89Å; W19-L44 HydrophobicContact CB-CD1 4.1Å; W19-L44 HydrophobicContact CD2-CD1 3.7Å; W19-L44 HydrophobicContact CD2-CD2 4.43Å; W19-L44 HydrophobicContact CE3-CD1 3.66Å; W19-L44 HydrophobicContact CE3-CD2 4.28Å; W19-L44 HydrophobicContact CG-CD1 3.89Å; W19-L44 HydrophobicContact CH2-CD2 4.29Å; W19-L44 HydrophobicContact CZ2-CD2 4.46Å; W19-L44 HydrophobicContact CZ3-CD1 4.35Å; W19-L44 HydrophobicContact CZ3-CD2 4.2Å; W19-L46 HydrophobicContact CZ3-CD1 3.89Å; W19-F104 AromaticContact CH2-CD2 3.91Å; W19-F104 HydrophobicContact CH2-CD2 3.91Å; W19-F104 AromaticContact CH2-CE2 3.48Å; W19-F104 HydrophobicContact CH2-CE2 3.48Å; W19-F104 VanDerWaalsContact CH2-CE2 3.48Å; W19-F104 HydrophobicContact CH2-CZ 4.24Å; W19-F104 HydrophobicContact CZ2-CD2 4.39Å; W19-F104 HydrophobicContact CZ2-CE2 4.03Å; W19-F104 HydrophobicContact CZ3-CE2 4.27Å; W19-L115 HydrophobicContact CH2-CB 4.13Å; W19-L115 HydrophobicContact CH2-CD2 4.48Å; W19-L115 HydrophobicContact CZ3-CB 3.91Å; W19-C116 WeakPolarHBondContact O-CA 3.28Å; W19-G117 PolarHBondContact N-O 3.32Å; W19-G117 PolarHBondContact O-N 3.01Å; W19-G117 VanDerWaalsContact O-O 3.08Å; W19-E119 HydrophobicContact CB-CG 3.96Å; W19-E119 HydrophobicContact CG-CG 4.42Å
20G97.6Very high88.7Confident37 Ų3781.4 Ų81.438%0.38142%0.415SS..EExtended strand (participates in β ladder)trans-167.6165.4165.100000113.2L115G20-L115 CarbonylContact C-O 3.58Å; G20-L115 WeakPolarHBondContact CA-O 3.27Å
21C98.1Very high90.9Very high9 Ų977 Ų776%0.06140%0.399CS..EExtended strand (participates in β ladder)trans-147.6161.6172.670.40000112.7W19 W30 F114 L115W19-C21 HydrophobicContact CH2-CB 4.17Å; W19-C21 WeakPolarHBondContact CH2-SG 3.47Å; W19-C21 HydrophobicContact CZ2-CB 3.97Å; C21-W30 HydrophobicContact CB-CB 4.14Å; C21-W30 HydrophobicContact CB-CD2 3.28Å; C21-W30 HydrophobicContact CB-CE3 3.4Å; C21-W30 HydrophobicContact CB-CG 3.57Å; C21-W30 HydrophobicContact CB-CH2 4.43Å; C21-W30 HydrophobicContact CB-CZ2 4.35Å; C21-W30 HydrophobicContact CB-CZ3 3.97Å; C21-F114 WeakPolarHBondContact O-CA 3.24Å; C21-L115 PolarHBondContact N-O 2.87Å; C21-L115 PolarHBondContact O-N 3.03Å
22E98.5Very high92.9Very high86 Ų8668.4 Ų68.440%0.40236%0.358SS..EExtended strand (participates in β ladder)trans-108.7137.3168.3-172.2-177.914500109.4P112 F114E22-P112 HydrophobicContact CG-CB 3.96Å; E22-P112 WeakPolarHBondContact OE1-CB 3.15Å; E22-F114 HydrophobicContact CB-CD1 3.88Å; E22-F114 HydrophobicContact CB-CE1 3.71Å; E22-F114 HydrophobicContact CG-CD1 4Å; E22-F114 HydrophobicContact CG-CE1 3.55Å; E22-F114 HydrophobicContact CG-CZ 4.1Å; E22-F114 WeakPolarHBondContact OE2-CE1 3.49Å
23L98.8Very high94.2Very high0 Ų071.4 Ų71.40%037%0.367CS..EExtended strand (participates in β ladder)trans-118.4131168.3-56173.8000109.7R27 W30 V62 F104 L106 V113 L115L23-R27 WeakPolarHBondContact CA-O 3.36Å; L23-W30 HydrophobicContact CD2-CB 3.74Å; L23-V62 HydrophobicContact CD1-CG1 4.13Å; L23-F104 HydrophobicContact CD1-CB 4.09Å; L23-L106 HydrophobicContact CB-CB 3.83Å; L23-L106 HydrophobicContact CD1-CB 4.35Å; L23-V113 PolarHBondContact N-O 2.94Å; L23-V113 PolarHBondContact O-N 3.11Å; L23-L115 HydrophobicContact CD1-CD1 3.68Å; L23-L115 HydrophobicContact CG-CD1 4.1Å
24S98.4Very high95.1Very high10 Ų1070.5 Ų70.57%0.0735%0.354CS..  trans-142.6-178-17680.40000111.8E26 R27 R28 S110S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 VanDerWaalsContact CB-OE2 3.24Å; S24-E26 WeakPolarHBondContact CB-OE2 3.25Å; S24-E26 PolarHBondContact O-N 2.66Å; S24-E26 PolarHBondContact OG-N 3.42Å; S24-E26 PolarHBondContact OG-OE2 3.43Å; S24-R27 PolarHBondContact N-O 3.35Å; S24-R27 CarbonylContact O-C 3.56Å; S24-R27 PolarHBondContact O-N 3.4Å; S24-R27 PolarHBondContact OG-N 2.86Å; S24-R28 WeakPolarHBondContact O-CA 3.47Å; S24-R28 WeakPolarHBondContact O-CG 3.29Å; S24-R28 PolarHBondContact O-N 2.78Å; S24-R28 VanDerWaalsContact O-N 3.11Å; S24-S110 CarbonylContact C-O 3.58Å; S24-S110 WeakPolarHBondContact CA-O 3.43Å
25Q96.9Very high94.8Very high96 Ų9674.5 Ų74.545%0.44937%0.369SS..SBendtrans-63.8-33.5173.1-179.9161.3-0.300112.4S110Q25-S110 PolarHBondContact N-O 3.46Å
26E97.2Very high94.4Very high165 Ų16575.5 Ų75.577%0.77137%0.371SS*.SBendtrans-76.3-44.8175-54.369.3-149.800110.8S24S24-E26 VanDerWaalsContact C-N 3.27Å; S24-E26 VanDerWaalsContact CB-OE2 3.24Å; S24-E26 WeakPolarHBondContact CB-OE2 3.25Å; S24-E26 PolarHBondContact O-N 2.66Å; S24-E26 PolarHBondContact OG-N 3.42Å; S24-E26 PolarHBondContact OG-OE2 3.43Å
27R98Very high93Very high124 Ų12481 Ų8147%0.46839%0.392SS..  trans-116.477.8178.4-169.4176.3-173.8156.9-1.8111.2L23 S24 T29 W30L23-R27 WeakPolarHBondContact CA-O 3.36Å; S24-R27 PolarHBondContact N-O 3.35Å; S24-R27 CarbonylContact O-C 3.56Å; S24-R27 PolarHBondContact O-N 3.4Å; S24-R27 PolarHBondContact OG-N 2.86Å; R27-T29 WeakPolarHBondContact CG-O 3.4Å; R27-T29 PolarHBondContact NE-O 2.85Å; R27-T29 PolarHBondContact O-N 2.95Å; R27-W30 VanDerWaalsContact NE-CE3 3.35Å
28R98.3Very high91.4Very high120 Ų12081.9 Ų81.945%0.45341%0.413SS..  trans-70.2-12179.1-76.4-16517899.8-4.5115.1S24 Q105 L106S24-R28 WeakPolarHBondContact O-CA 3.47Å; S24-R28 WeakPolarHBondContact O-CG 3.29Å; S24-R28 PolarHBondContact O-N 2.78Å; S24-R28 VanDerWaalsContact O-N 3.11Å; R28-Q105 CarbonylContact O-C 3.45Å; R28-Q105 VanDerWaalsContact O-CA 3.28Å; R28-Q105 WeakPolarHBondContact O-CA 3.47Å; R28-L106 PolarHBondContact O-N 2.99Å
29T98.2Very high89.8Confident63 Ų6379 Ų7939%0.38739%0.394SS..EExtended strand (participates in β ladder)trans-136.5147.4-177.850.50000113.7R27 L65 F104 Q105R27-T29 WeakPolarHBondContact CG-O 3.4Å; R27-T29 PolarHBondContact NE-O 2.85Å; R27-T29 PolarHBondContact O-N 2.95Å; T29-L65 HydrophobicContact CG2-CD1 4.43Å; T29-F104 VanDerWaalsContact CA-O 3.28Å; T29-F104 WeakPolarHBondContact CA-O 3.39Å; T29-Q105 HydrophobicContact CG2-CB 4Å; T29-Q105 HydrophobicContact CG2-CG 4.02Å
30W98.2Very high88.5Confident68 Ų6886.6 Ų86.626%0.25843%0.43SS..EExtended strand (participates in β ladder)trans-139.3121.3170.3-171-68.3000110.4C21 L23 R27 T103 F104C21-W30 HydrophobicContact CB-CB 4.14Å; C21-W30 HydrophobicContact CB-CD2 3.28Å; C21-W30 HydrophobicContact CB-CE3 3.4Å; C21-W30 HydrophobicContact CB-CG 3.57Å; C21-W30 HydrophobicContact CB-CH2 4.43Å; C21-W30 HydrophobicContact CB-CZ2 4.35Å; C21-W30 HydrophobicContact CB-CZ3 3.97Å; L23-W30 HydrophobicContact CD2-CB 3.74Å; R27-W30 VanDerWaalsContact NE-CE3 3.35Å; W30-T103 WeakPolarHBondContact O-CA 3.28Å; W30-F104 PolarHBondContact N-O 2.81Å; W30-F104 PolarHBondContact O-N 2.86Å
31T97Very high87.8Confident58 Ų5887.3 Ų87.336%0.35643%0.425SS..EExtended strand (participates in β ladder)trans-94.3117169.3-55.60000109.9R33 P101 V102 T103T31-R33 HydrophobicContact CG2-CG 4.3Å; T31-P101 HydrophobicContact CG2-CB 4.23Å; T31-V102 CarbonylContact C-O 3.47Å; T31-V102 VanDerWaalsContact CA-O 3.27Å; T31-V102 WeakPolarHBondContact CA-O 3.44Å; T31-T103 WeakPolarHBondContact CG2-OG1 3.19Å; T31-T103 WeakPolarHBondContact OG1-CG2 3.47Å; T31-T103 PolarHBondContact OG1-OG1 3.27Å
32F95.1Very high87.5Confident4 Ų487.2 Ų87.22%0.01843%0.425CS..EExtended strand (participates in β ladder)trans-73.9135.9165.5176.8-120.9000110.5W19 L44 P100 P101 V102 E119W19-F32 AromaticContact CD1-CD2 3.58Å; W19-F32 AromaticContact CD1-CE2 3.68Å; W19-F32 HydrophobicContact CG-CD2 4.46Å; W19-F32 HydrophobicContact CZ2-CB 4.24Å; W19-F32 AromaticContact NE1-CD2 3.28Å; W19-F32 VanDerWaalsContact NE1-CD2 3.28Å; W19-F32 AromaticContact NE1-CE2 3.89Å; F32-L44 HydrophobicContact CB-CD2 4.14Å; F32-L44 HydrophobicContact CD1-CB 3.78Å; F32-L44 HydrophobicContact CD1-CD1 4.5Å; F32-L44 HydrophobicContact CD1-CD2 3.78Å; F32-L44 HydrophobicContact CD1-CG 4.23Å; F32-L44 HydrophobicContact CE1-CB 3.77Å; F32-L44 HydrophobicContact CE1-CD1 4.49Å; F32-L44 HydrophobicContact CE1-CD2 4.48Å; F32-L44 HydrophobicContact CE1-CG 4.47Å; F32-L44 HydrophobicContact CG-CD2 4.02Å; F32-P100 HydrophobicContact CD1-CB 4.13Å; F32-P100 HydrophobicContact CD1-CG 4Å; F32-P100 HydrophobicContact CE1-CB 4.1Å; F32-P100 HydrophobicContact CE1-CG 3.61Å; F32-P101 WeakPolarHBondContact O-CA 3.35Å; F32-V102 HydrophobicContact CB-CB 4.45Å; F32-V102 PolarHBondContact N-O 2.85Å; F32-V102 PolarHBondContact O-N 3.02Å; F32-E119 HydrophobicContact CE2-CG 3.77Å; F32-E119 WeakPolarHBondContact CE2-OE1 3.31Å; F32-E119 HydrophobicContact CZ-CB 4.17Å; F32-E119 HydrophobicContact CZ-CG 3.62Å
33R91.9Very high87.3Confident171 Ų17187.2 Ų87.265%0.64542%0.421SS*.  trans-136142.6169.2-63.9178178.2-95.6-2106.7T31 P101T31-R33 HydrophobicContact CG2-CG 4.3Å; R33-P101 HydrophobicContact CG-CB 4.45Å
34P87.5Confident87.2Confident54 Ų5487.2 Ų87.235%0.35142%0.421SS..  trans-55.5141.1174.4-22.734.5000110.8C42 P100 Y121P34-C42 HydrophobicContact CB-CB 3.91Å; P34-C42 HydrophobicContact CG-CB 3.7Å; P34-P100 HydrophobicContact CG-CB 3.9Å; P34-P100 HydrophobicContact CG-CG 4.11Å; P34-Y121 HydrophobicContact CB-CE1 4.17Å
35Q77.4Confident87.1Confident151 Ų15188.4 Ų88.471%0.70643%0.426SS*.SBendtrans-86.6-26.3175.6-67.2-173.173.800112.8E37 E119 Y121Q35-E37 PolarHBondContact O-N 3.08Å; Q35-E119 PolarHBondContact N-OE2 3.22Å; Q35-E119 PolarHBondContact NE2-OE1 2.76Å; Q35-Y121 PolarHBondContact N-OH 2.92Å
36L78.3Confident87.2Confident78 Ų7883.9 Ų83.941%0.40841%0.405SS..SBendtrans-94101179.6-172.351000110.6K39 Y121L36-K39 HydrophobicContact CD2-CD 3.74Å; L36-K39 HydrophobicContact CD2-CG 4.32Å; L36-K39 HydrophobicContact CG-CD 4.22Å; L36-K39 HydrophobicContact CG-CG 4.26Å; L36-Y121 HydrophobicContact CB-CD1 4.43Å; L36-Y121 HydrophobicContact CB-CE1 3.73Å; L36-Y121 PolarHBondContact N-OH 2.59Å
37E64Low87.2Confident191 Ų19179.6 Ų79.689%0.89339%0.385SS*.THydrogen-bonded Turntrans-60.8147.9179.5-158.9156.3-12900111.5Q35 K39Q35-E37 PolarHBondContact O-N 3.08Å; E37-K39 VanDerWaalsContact C-N 3.32Å; E37-K39 PolarHBondContact O-N 2.86Å
38G58.6Low87.2Confident76 Ų7675.1 Ų75.178%0.78437%0.371SS*.THydrogen-bonded Turntrans82.4-21.7-178.100000116.7Q40G38-Q40 PolarHBondContact O-N 3.37Å
39K62.4Low87.2Confident83 Ų8369.4 Ų69.436%0.36135%0.35SS..  trans-84.595.6179.5-69.1-159.5-178.6-175.60113.1L36 E37 N41 Y121L36-K39 HydrophobicContact CD2-CD 3.74Å; L36-K39 HydrophobicContact CD2-CG 4.32Å; L36-K39 HydrophobicContact CG-CD 4.22Å; L36-K39 HydrophobicContact CG-CG 4.26Å; E37-K39 VanDerWaalsContact C-N 3.32Å; E37-K39 PolarHBondContact O-N 2.86Å; K39-N41 PolarHBondContact O-N 3.37Å; K39-Y121 HydrophobicContact CB-CD1 3.75Å; K39-Y121 HydrophobicContact CB-CE1 4.28Å; K39-Y121 HydrophobicContact CD-CD1 3.99Å; K39-Y121 HydrophobicContact CD-CG 4.32Å; K39-Y121 HydrophobicContact CG-CD1 4.45Å
40Q67.4Low87.2Confident174 Ų17468.1 Ų68.181%0.81334%0.343SS*.THydrogen-bonded Turntrans-55.5-30.2177.7-64.6-77.259.600114G38 C42G38-Q40 PolarHBondContact O-N 3.37Å; Q40-C42 VanDerWaalsContact C-N 3.31Å; Q40-C42 PolarHBondContact O-N 2.97Å
41N84.3Confident87.3Confident53 Ų5365.9 Ų65.928%0.28334%0.336SS..THydrogen-bonded Turntrans-91.637.4-172.5-59.2-24.3000113.8K39 E122 S124K39-N41 PolarHBondContact O-N 3.37Å; N41-E122 HydrophobicContact CB-CB 4.11Å; N41-E122 WeakPolarHBondContact CB-O 3.39Å; N41-E122 PolarHBondContact O-N 3.07Å; N41-S124 PolarHBondContact ND2-OG 2.89Å; N41-S124 VanDerWaalsContact ND2-OG 3.16Å
42C91.7Very high87.3Confident7 Ų763.8 Ų63.85%0.04733%0.326CS..EExtended strand (participates in β ladder)trans-81.7133.8175.5-172.60000111.9P34 Q40 P100 R120 Y121P34-C42 HydrophobicContact CB-CB 3.91Å; P34-C42 HydrophobicContact CG-CB 3.7Å; Q40-C42 VanDerWaalsContact C-N 3.31Å; Q40-C42 PolarHBondContact O-N 2.97Å; C42-P100 HydrophobicContact CB-CG 4.48Å; C42-P100 WeakPolarHBondContact O-CD 3.43Å; C42-R120 CarbonylContact C-O 3.56Å; C42-R120 WeakPolarHBondContact CA-O 3.46Å; C42-Y121 HydrophobicContact CB-CD1 3.78Å; C42-Y121 HydrophobicContact CB-CE1 3.62Å; C42-Y121 VanDerWaalsContact SG-CE1 3.5Å
43R94.6Very high87.4Confident86 Ų8672.7 Ų72.733%0.32537%0.368SS..EExtended strand (participates in β ladder)trans-132137.7177.2-58.1-66.3-173178.4-3.5110L45 Q97 S99 R120R43-L45 HydrophobicContact CB-CD1 4.07Å; R43-Q97 HydrophobicContact CB-CG 4.01Å; R43-Q97 HydrophobicContact CG-CG 4.4Å; R43-S99 PolarHBondContact NH1-OG 3.11Å; R43-R120 HydrophobicContact CB-CB 4.5Å; R43-R120 PolarHBondContact N-O 3.18Å; R43-R120 PolarHBondContact O-N 3.36Å
44L95.8Very high87.7Confident0 Ų072.6 Ų72.60%037%0.372CS..EExtended strand (participates in β ladder)trans-93.4112.6170177.459.4000109.6W19 F32 Q97 L98 F104W19-L44 HydrophobicContact CB-CD1 4.1Å; W19-L44 HydrophobicContact CD2-CD1 3.7Å; W19-L44 HydrophobicContact CD2-CD2 4.43Å; W19-L44 HydrophobicContact CE3-CD1 3.66Å; W19-L44 HydrophobicContact CE3-CD2 4.28Å; W19-L44 HydrophobicContact CG-CD1 3.89Å; W19-L44 HydrophobicContact CH2-CD2 4.29Å; W19-L44 HydrophobicContact CZ2-CD2 4.46Å; W19-L44 HydrophobicContact CZ3-CD1 4.35Å; W19-L44 HydrophobicContact CZ3-CD2 4.2Å; F32-L44 HydrophobicContact CB-CD2 4.14Å; F32-L44 HydrophobicContact CD1-CB 3.78Å; F32-L44 HydrophobicContact CD1-CD1 4.5Å; F32-L44 HydrophobicContact CD1-CD2 3.78Å; F32-L44 HydrophobicContact CD1-CG 4.23Å; F32-L44 HydrophobicContact CE1-CB 3.77Å; F32-L44 HydrophobicContact CE1-CD1 4.49Å; F32-L44 HydrophobicContact CE1-CD2 4.48Å; F32-L44 HydrophobicContact CE1-CG 4.47Å; F32-L44 HydrophobicContact CG-CD2 4.02Å; L44-Q97 WeakPolarHBondContact O-CA 3.14Å; L44-L98 HydrophobicContact CB-CB 4.38Å; L44-L98 PolarHBondContact N-O 2.8Å; L44-L98 PolarHBondContact O-N 2.97Å; L44-F104 HydrophobicContact CD2-CE2 3.73Å; L44-F104 HydrophobicContact CD2-CZ 3.7Å
45L96.9Very high88.2Confident34 Ų3470.9 Ų70.918%0.17836%0.362CS..EExtended strand (participates in β ladder)trans-89.6107.9169.1-79.263.2000107.1R43 Q97 G117 Q118 R120R43-L45 HydrophobicContact CB-CD1 4.07Å; L45-Q97 HydrophobicContact CD1-CG 4.05Å; L45-G117 CarbonylContact O-C 3.56Å; L45-G117 WeakPolarHBondContact O-CA 3.43Å; L45-Q118 PolarHBondContact N-O 2.87Å; L45-Q118 PolarHBondContact O-N 2.83Å; L45-R120 HydrophobicContact CD1-CB 3.66Å; L45-R120 HydrophobicContact CD1-CG 4.49Å
46L97.8Very high89.1Confident2 Ų268.9 Ų68.91%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-85.2130.4177.2-173.667.2000108.9W19 I49 I80 M93 V96 F104 L115W19-L46 HydrophobicContact CZ3-CD1 3.89Å; L46-I49 HydrophobicContact CD2-CD1 4.05Å; L46-I49 HydrophobicContact CD2-CG1 4.31Å; L46-I80 HydrophobicContact CD2-CD1 3.95Å; L46-M93 HydrophobicContact CB-CB 4.49Å; L46-M93 HydrophobicContact CD2-CG 3.97Å; L46-M93 HydrophobicContact CD2-SD 4.33Å; L46-M93 HydrophobicContact CG-CB 4.26Å; L46-M93 HydrophobicContact CG-CG 4.04Å; L46-M93 WeakPolarHBondContact O-CB 3.32Å; L46-V96 HydrophobicContact CB-CB 4.33Å; L46-V96 HydrophobicContact CB-CG1 4.1Å; L46-V96 HydrophobicContact CD2-CG1 4.38Å; L46-V96 PolarHBondContact N-O 2.6Å; L46-F104 HydrophobicContact CD2-CE1 4.17Å; L46-L115 HydrophobicContact CD1-CB 4.1Å; L46-L115 HydrophobicContact CD1-CD2 4.26Å
47H97.6Very high90.1Very high75 Ų7570.1 Ų70.135%0.34735%0.354SS..EExtended strand (participates in β ladder)trans-110.6-44.3-173.8-67.8164000113.8T92 M93 C116 Q118H47-T92 CarbonylContact O-C 3.5Å; H47-T92 WeakPolarHBondContact O-CA 3.41Å; H47-T92 WeakPolarHBondContact O-CG2 3.48Å; H47-M93 PolarHBondContact O-N 2.83Å; H47-C116 PolarHBondContact N-O 2.73Å; H47-Q118 PolarHBondContact CE1-OE1 3.16Å
48T98.3Very high91.7Very high29 Ų2964.3 Ų64.318%0.17833%0.327CS..EExtended strand (participates in β ladder)trans-146.1145.6-175.8-51.70000110.7C50 M90 V91 L115 C116T48-C50 HydrophobicContact CG2-CB 4.43Å; T48-M90 HydrophobicContact CG2-CE 3.84Å; T48-V91 WeakPolarHBondContact CA-O 3.43Å; T48-L115 WeakPolarHBondContact O-CA 3.48Å; T48-C116 PolarHBondContact N-O 2.67Å; T48-C116 VanDerWaalsContact N-O 3.15Å; T48-C116 PolarHBondContact O-N 3.27Å
49I98.7Very high93.6Very high0 Ų065.5 Ų65.50%031%0.314CS..EExtended strand (participates in β ladder)trans-124.3126.4164.3-45.2-174.3000107.8L46 V62 I80 A81 L83 M90 V91 M93 V113 F114 L115L46-I49 HydrophobicContact CD2-CD1 4.05Å; L46-I49 HydrophobicContact CD2-CG1 4.31Å; I49-V62 HydrophobicContact CG2-CG2 4.15Å; I49-I80 HydrophobicContact CD1-CD1 3.54Å; I49-I80 HydrophobicContact CD1-CG1 3.81Å; I49-A81 HydrophobicContact CB-CB 4.4Å; I49-A81 HydrophobicContact CD1-CB 3.92Å; I49-A81 HydrophobicContact CG2-CB 4.36Å; I49-L83 HydrophobicContact CB-CD1 4.47Å; I49-L83 HydrophobicContact CG2-CD1 3.95Å; I49-M90 CarbonylContact O-C 3.52Å; I49-M90 VanDerWaalsContact O-CA 3.31Å; I49-M90 WeakPolarHBondContact O-CA 3.33Å; I49-V91 HydrophobicContact CB-CG1 4.09Å; I49-V91 PolarHBondContact N-O 3.49Å; I49-V91 PolarHBondContact O-N 2.9Å; I49-M93 HydrophobicContact CD1-CG 4.38Å; I49-M93 HydrophobicContact CD1-SD 4.08Å; I49-M93 HydrophobicContact CG1-CG 4.08Å; I49-M93 HydrophobicContact CG1-SD 4.38Å; I49-V113 HydrophobicContact CG2-CG1 3.74Å; I49-F114 CarbonylContact C-O 3.49Å; I49-F114 WeakPolarHBondContact CA-O 3.4Å; I49-L115 HydrophobicContact CD1-CD2 4.42Å; I49-L115 HydrophobicContact CD1-CG 4.32Å; I49-L115 HydrophobicContact CG1-CG 4.12Å; I49-L115 HydrophobicContact CG2-CD1 4.11Å; I49-L115 HydrophobicContact CG2-CG 4.08Å
50C98.6Very high95.3Very high36 Ų3661.6 Ų61.624%0.24330%0.297CS..EExtended strand (participates in β ladder)trans-142.7154-177.160.10000113.4T48 P89 M90 V113 F114T48-C50 HydrophobicContact CG2-CB 4.43Å; C50-P89 CarbonylContact C-O 3.55Å; C50-P89 WeakPolarHBondContact CA-O 3.46Å; C50-M90 HydrophobicContact CB-CB 3.61Å; C50-V113 CarbonylContact O-C 3.47Å; C50-V113 WeakPolarHBondContact O-CA 3.31Å; C50-V113 WeakPolarHBondContact O-CG1 3.34Å; C50-F114 PolarHBondContact N-O 2.89Å; C50-F114 PolarHBondContact O-N 3.01Å
51L98.8Very high96.8Very high22 Ų2257.3 Ų57.312%0.11527%0.273CS..EExtended strand (participates in β ladder)trans-77.9139.3170.4-59.3-176.4000110.3A55 H60 L83 A85 P89 V113L51-A55 HydrophobicContact CB-CB 4Å; L51-A55 HydrophobicContact CD1-CB 4.49Å; L51-A55 HydrophobicContact CD2-CB 4.4Å; L51-H60 HydrophobicContact CD2-CB 3.79Å; L51-L83 HydrophobicContact CD1-CB 4.17Å; L51-L83 HydrophobicContact CD2-CB 3.85Å; L51-L83 HydrophobicContact CD2-CD1 4.11Å; L51-L83 HydrophobicContact CG-CB 3.91Å; L51-L83 HydrophobicContact CG-CD1 4.25Å; L51-A85 HydrophobicContact CD1-CB 4Å; L51-P89 PolarHBondContact N-O 2.83Å; L51-V113 HydrophobicContact CD2-CG1 4.38Å; L51-V113 HydrophobicContact CD2-CG2 3.77Å
52G98.2Very high97.5Very high13 Ų1354.8 Ų54.813%0.13426%0.26CS..  trans-77.3158.1166.400000112.1K54 A55 P112G52-K54 PolarHBondContact O-N 3.39Å; G52-A55 WeakPolarHBondContact O-CB 3.17Å; G52-A55 PolarHBondContact O-N 2.81Å; G52-P112 PolarHBondContact N-O 3.01Å
53E96.8Very high97.8Very high192 Ų19254.7 Ų54.790%0.89726%0.258SS*.THydrogen-bonded Turntrans-48.3-33177.4-178.6-171.2-150.400114.1A55E53-A55 VanDerWaalsContact C-N 3.33Å
54K97.1Very high98Very high169 Ų16952 Ų5274%0.73525%0.251SS*.THydrogen-bonded Turntrans-86.2-0.2-177.6-61.4174.8-174.81700113.9G52 P112G52-K54 PolarHBondContact O-N 3.39Å; K54-P112 HydrophobicContact CB-CG 4.29Å
55A97.9Very high98Very high17 Ų1754.1 Ų54.114%0.1426%0.261CS..  trans-67.4144.1176.800000110.6L51 G52 E53 G111L51-A55 HydrophobicContact CB-CB 4Å; L51-A55 HydrophobicContact CD1-CB 4.49Å; L51-A55 HydrophobicContact CD2-CB 4.4Å; G52-A55 WeakPolarHBondContact O-CB 3.17Å; G52-A55 PolarHBondContact O-N 2.81Å; E53-A55 VanDerWaalsContact C-N 3.33Å; A55-G111 WeakPolarHBondContact CA-O 3.34Å
56K98.3Very high97.7Very high110 Ų11054.8 Ų54.848%0.47827%0.268SS..  trans-77159.7177.6-66.6173.1-168.4134.30110.8E58 H60 S110K56-E58 HydrophobicContact CB-CG 4Å; K56-E58 PolarHBondContact O-N 2.93Å; K56-H60 PolarHBondContact O-CE1 2.86Å; K56-S110 PolarHBondContact NZ-OG 3.29Å
57E98.1Very high97.1Very high103 Ų10357.8 Ų57.848%0.48129%0.288SS..SBendtrans-74.675.3169.9-174.948.9-139.200110Q84 A85 S86E57-Q84 WeakPolarHBondContact OE1-CG 3.49Å; E57-Q84 PolarHBondContact OE1-NE2 2.9Å; E57-A85 WeakPolarHBondContact OE2-CB 3.41Å; E57-S86 VanDerWaalsContact CD-OG 3.29Å; E57-S86 WeakPolarHBondContact OE1-CB 3.38Å; E57-S86 PolarHBondContact OE1-OG 3.19Å; E57-S86 WeakPolarHBondContact OE2-CB 3.36Å; E57-S86 PolarHBondContact OE2-N 3.4Å
58E98Very high96Very high69 Ų6959.5 Ų59.532%0.32232%0.315SS..SBendtrans-149.2164.317967.3-174.9163.200111.3K56 H60 G109 S110K56-E58 HydrophobicContact CB-CG 4Å; K56-E58 PolarHBondContact O-N 2.93Å; E58-H60 PolarHBondContact O-N 3.15Å; E58-H60 PolarHBondContact O-ND1 2.78Å; E58-G109 WeakPolarHBondContact OE1-CA 3.31Å; E58-S110 PolarHBondContact OE1-N 3.45Å; E58-S110 PolarHBondContact OE1-OG 3.41Å
59M98.4Very high94.6Very high101 Ų10164.8 Ų64.850%0.49834%0.342SS..  trans-73.3115.4177.3-175-167.8-178.700111.1S82 A108 G109M59-S82 WeakPolarHBondContact CE-OG 3.3Å; M59-A108 CarbonylContact O-C 3.15Å; M59-G109 PolarHBondContact O-N 2.88Å
60H98.8Very high93Very high1 Ų170 Ų701%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-97.5124.9173-6770.6000109.7L51 K56 E58 S82 L83 L106 A108 G111 V113L51-H60 HydrophobicContact CD2-CB 3.79Å; K56-H60 PolarHBondContact O-CE1 2.86Å; E58-H60 PolarHBondContact O-N 3.15Å; E58-H60 PolarHBondContact O-ND1 2.78Å; H60-S82 CarbonylContact O-C 3.56Å; H60-S82 VanDerWaalsContact O-CA 3.31Å; H60-S82 WeakPolarHBondContact O-CA 3.47Å; H60-L83 HydrophobicContact CB-CB 4.41Å; H60-L83 PolarHBondContact N-O 3.1Å; H60-L83 PolarHBondContact O-N 2.94Å; H60-L106 HydrophobicContact CB-CD1 4.37Å; H60-A108 VanDerWaalsContact CA-O 3.3Å; H60-A108 WeakPolarHBondContact CA-O 3.47Å; H60-G111 PolarHBondContact CD2-N 3.18Å; H60-G111 VanDerWaalsContact CD2-N 3.27Å; H60-G111 WeakPolarHBondContact NE2-CA 3.45Å; H60-G111 PolarHBondContact NE2-N 2.97Å; H60-V113 HydrophobicContact CB-CG2 4.15Å
61R98.7Very high91.1Very high85 Ų8576.5 Ų76.532%0.32139%0.393SS..EExtended strand (participates in β ladder)trans-117.4124.3178.6-168.9166.695.7-166.99.4111.1E63 T79 R107 A108R61-E63 HydrophobicContact CG-CG 4.44Å; R61-E63 IonicContact CZ-OE1 3.15Å; R61-E63 IonicContact NE-OE1 2.86Å; R61-E63 PolarHBondContact NE-OE1 3.15Å; R61-E63 IonicContact NH2-OE1 2.66Å; R61-E63 PolarHBondContact NH2-OE1 2.84Å; R61-T79 WeakPolarHBondContact CD-OG1 3.22Å; R61-T79 HydrophobicContact CG-CG2 3.68Å; R61-T79 PolarHBondContact NE-OG1 2.83Å; R61-R107 HydrophobicContact CB-CB 4.43Å; R61-R107 PolarHBondContact O-N 3.38Å; R61-A108 HydrophobicContact CB-CB 3.99Å; R61-A108 PolarHBondContact N-O 3.46Å; R61-A108 VanDerWaalsContact N-O 3.11Å
62V98.7Very high89.2Confident0 Ų079.2 Ų79.20%041%0.407CS..EExtended strand (participates in β ladder)trans-108129.4177.5-175.30000109.8L23 I49 T79 I80 A81 Q105 L106 V113 L115L23-V62 HydrophobicContact CD1-CG1 4.13Å; I49-V62 HydrophobicContact CG2-CG2 4.15Å; V62-T79 WeakPolarHBondContact O-CA 3.45Å; V62-I80 HydrophobicContact CB-CG1 4.25Å; V62-I80 HydrophobicContact CG1-CD1 4.03Å; V62-I80 HydrophobicContact CG1-CG1 3.95Å; V62-I80 PolarHBondContact O-N 2.78Å; V62-A81 HydrophobicContact CB-CB 4.42Å; V62-A81 PolarHBondContact N-O 3.13Å; V62-A81 PolarHBondContact O-N 2.83Å; V62-Q105 CarbonylContact C-O 3.38Å; V62-Q105 WeakPolarHBondContact CA-O 3.46Å; V62-L106 HydrophobicContact CG2-CD1 4.34Å; V62-V113 HydrophobicContact CG2-CG1 3.94Å; V62-L115 HydrophobicContact CG1-CD1 4.41Å; V62-L115 HydrophobicContact CG1-CD2 4.37Å
63E98.3Very high87.5Confident4 Ų487.6 Ų87.62%0.01944%0.44CS..EExtended strand (participates in β ladder)trans-122.3149.1-178.2-54-172.5146.600111.1R61 P77 V78 T79 F104 Q105 R107R61-E63 HydrophobicContact CG-CG 4.44Å; R61-E63 IonicContact CZ-OE1 3.15Å; R61-E63 IonicContact NE-OE1 2.86Å; R61-E63 PolarHBondContact NE-OE1 3.15Å; R61-E63 IonicContact NH2-OE1 2.66Å; R61-E63 PolarHBondContact NH2-OE1 2.84Å; E63-P77 HydrophobicContact CB-CB 4.16Å; E63-V78 CarbonylContact C-O 3.54Å; E63-V78 WeakPolarHBondContact CA-O 3.49Å; E63-T79 PolarHBondContact OE1-OG1 3.34Å; E63-F104 CarbonylContact O-C 3.6Å; E63-F104 WeakPolarHBondContact O-CA 3Å; E63-Q105 PolarHBondContact N-O 2.91Å; E63-Q105 PolarHBondContact O-N 3.01Å; E63-R107 HydrophobicContact CG-CB 3.82Å; E63-R107 HydrophobicContact CG-CG 4.38Å; E63-R107 IonicContact OE1-NH1 3.93Å; E63-R107 WeakPolarHBondContact OE2-CB 3.32Å; E63-R107 VanDerWaalsContact OE2-CG 3.3Å; E63-R107 WeakPolarHBondContact OE2-CG 3.31Å; E63-R107 IonicContact OE2-CZ 3.86Å; E63-R107 IonicContact OE2-NH1 2.88Å; E63-R107 PolarHBondContact OE2-NH1 3.11Å
64I97.7Very high86.2Confident31 Ų3186.2 Ų86.216%0.15943%0.431CS..EExtended strand (participates in β ladder)trans-92128.1158.8-62.1178000107.6P77 V78 I80 L98 V102 T103 F104I64-P77 CarbonylContact O-C 3.53Å; I64-P77 VanDerWaalsContact O-CA 3.26Å; I64-P77 WeakPolarHBondContact O-CA 3.41Å; I64-V78 PolarHBondContact N-O 2.79Å; I64-V78 PolarHBondContact O-N 2.85Å; I64-I80 HydrophobicContact CD1-CD1 4.29Å; I64-I80 HydrophobicContact CD1-CG2 3.74Å; I64-I80 HydrophobicContact CG1-CD1 3.99Å; I64-I80 HydrophobicContact CG1-CG2 3.83Å; I64-L98 HydrophobicContact CD1-CD1 3.75Å; I64-L98 HydrophobicContact CD1-CD2 3.99Å; I64-V102 HydrophobicContact CD1-CG1 4.35Å; I64-V102 HydrophobicContact CG1-CG1 4.47Å; I64-V102 HydrophobicContact CG2-CG1 4.07Å; I64-T103 WeakPolarHBondContact CA-O 3.21Å; I64-F104 HydrophobicContact CD1-CE1 4.07Å; I64-F104 HydrophobicContact CG1-CD1 3.89Å; I64-F104 HydrophobicContact CG1-CE1 3.9Å
65L95.7Very high85.5Confident43 Ų4382.8 Ų82.823%0.22542%0.419CS..EExtended strand (participates in β ladder)trans-84.4148.4173.2-58.8-175.1000110.9T29 P77 T103 Q105T29-L65 HydrophobicContact CG2-CD1 4.43Å; L65-P77 HydrophobicContact CD2-CB 4.05Å; L65-P77 HydrophobicContact CD2-CG 3.96Å; L65-T103 HydrophobicContact CB-CG2 4.42Å; L65-T103 HydrophobicContact CD1-CG2 3.92Å; L65-T103 HydrophobicContact CG-CG2 4.37Å; L65-T103 PolarHBondContact N-O 3.18Å; L65-Q105 HydrophobicContact CD1-CB 4.2Å; L65-Q105 HydrophobicContact CD2-CB 4.01Å; L65-Q105 HydrophobicContact CG-CB 3.99Å
66P91.9Very high85.2Confident49 Ų4988.5 Ų88.532%0.31844%0.443SS..PPolyproline II helixtrans-63.5158.9173.130.4-38.8000112A68 M75P66-A68 PolarHBondContact O-N 2.93Å; P66-M75 HydrophobicContact CB-CB 4.03Å; P66-M75 HydrophobicContact CB-CG 4.31Å; P66-M75 WeakPolarHBondContact CG-O 3.43Å
67P85.3Confident85Confident65 Ų6585.2 Ų85.242%0.42243%0.433SS..PPolyproline II helixtrans-59.2127173.3-21.833.6000111.5N69 Q70P67-N69 PolarHBondContact O-N 2.93Å; P67-Q70 PolarHBondContact O-N 2.92Å
68A74.4Confident85Confident111 Ų11184.6 Ų84.692%0.91744%0.436SS*.THydrogen-bonded Turntrans-65.6-9.5-175.600000114.6P66P66-A68 PolarHBondContact O-N 2.93Å
69N68.5Low84.9Confident140 Ų14084.2 Ų84.275%0.74944%0.438SS*.THydrogen-bonded Turntrans-109.46.5-174.756.2-52.1000113.9P67P67-N69 PolarHBondContact O-N 2.93Å
70Q64.9Low84.9Confident109 Ų10981.1 Ų81.151%0.50942%0.423SS..  trans-90.3125.2162.3-76-177-47.300109.7P67 D72P67-Q70 PolarHBondContact O-N 2.92Å; Q70-D72 PolarHBondContact O-N 2.97Å
71E59.2Low84.9Confident173 Ų17381.4 Ų81.481%0.80843%0.426SS*.  trans-71.4-5.4177.1-161.8170.6116.300112.9K73E71-K73 VanDerWaalsContact C-N 3.29Å; E71-K73 PolarHBondContact O-N 2.86Å
72D58.8Low84.9Confident78 Ų7879.7 Ų79.742%0.41743%0.427SS..  trans-73.779.9177.8-153-31.8000112.1Q70 K74 M75Q70-D72 PolarHBondContact O-N 2.97Å; D72-K74 PolarHBondContact O-N 2.81Å; D72-K74 WeakPolarHBondContact OD1-CB 3.49Å; D72-K74 WeakPolarHBondContact OD1-CD 3.3Å; D72-K74 WeakPolarHBondContact OD1-CG 3.36Å; D72-K74 PolarHBondContact OD1-N 2.83Å; D72-M75 PolarHBondContact O-N 2.84Å
73K61.2Low84.9Confident190 Ų19079.8 Ų79.883%0.82643%0.428SS*.THydrogen-bonded Turntrans-55.74.4177.9-70.2160.1-176.1160.70115.1E71E71-K73 VanDerWaalsContact C-N 3.29Å; E71-K73 PolarHBondContact O-N 2.86Å
74K70.7Confident84.9Confident162 Ų16282.7 Ų82.770%0.70444%0.441SS*.THydrogen-bonded Turntrans-94.4-23.7178.5-57.8170.6-169.5156.30113D72 Q76D72-K74 PolarHBondContact O-N 2.81Å; D72-K74 WeakPolarHBondContact OD1-CB 3.49Å; D72-K74 WeakPolarHBondContact OD1-CD 3.3Å; D72-K74 WeakPolarHBondContact OD1-CG 3.36Å; D72-K74 PolarHBondContact OD1-N 2.83Å; K74-Q76 PolarHBondContact O-N 3.06Å; K74-Q76 VanDerWaalsContact O-N 3.15Å; K74-Q76 PolarHBondContact O-NE2 2.94Å
75M83.3Confident84.9Confident97 Ų9783.3 Ų83.348%0.47845%0.451SS..  trans-66.8112.2-171.6-145.8130.4-62.900110.8P66 D72P66-M75 HydrophobicContact CB-CB 4.03Å; P66-M75 HydrophobicContact CB-CG 4.31Å; P66-M75 WeakPolarHBondContact CG-O 3.43Å; D72-M75 PolarHBondContact O-N 2.84Å
76Q90.1Very high85Confident138 Ų13885.4 Ų85.465%0.64547%0.469SS*.PPolyproline II helixtrans-84.8150.8-173.2-63.8-56.7-5600112.3K74K74-Q76 PolarHBondContact O-N 3.06Å; K74-Q76 VanDerWaalsContact O-N 3.15Å; K74-Q76 PolarHBondContact O-NE2 2.94Å
77P95.1Very high85.3Confident40 Ų4088 Ų8826%0.2648%0.484SS..PPolyproline II helixtrans-57.6135.8167.7-24.735.3000112.4E63 I64 L65E63-P77 HydrophobicContact CB-CB 4.16Å; I64-P77 CarbonylContact O-C 3.53Å; I64-P77 VanDerWaalsContact O-CA 3.26Å; I64-P77 WeakPolarHBondContact O-CA 3.41Å; L65-P77 HydrophobicContact CD2-CB 4.05Å; L65-P77 HydrophobicContact CD2-CG 3.96Å
78V96.6Very high85.9Confident90 Ų9088.7 Ų88.755%0.54548%0.484SS..EExtended strand (participates in β ladder)trans-97.8116179.4179.70000109E63 I64 I80E63-V78 CarbonylContact C-O 3.54Å; E63-V78 WeakPolarHBondContact CA-O 3.49Å; I64-V78 PolarHBondContact N-O 2.79Å; I64-V78 PolarHBondContact O-N 2.85Å; V78-I80 HydrophobicContact CG1-CG2 4.46Å; V78-I80 PolarHBondContact O-N 3.18Å
79T97.8Very high87Confident62 Ų6286.5 Ų86.538%0.3846%0.46SS..EExtended strand (participates in β ladder)trans-68.5122.7171.2-66.10000109.7R61 V62 E63R61-T79 WeakPolarHBondContact CD-OG1 3.22Å; R61-T79 HydrophobicContact CG-CG2 3.68Å; R61-T79 PolarHBondContact NE-OG1 2.83Å; V62-T79 WeakPolarHBondContact O-CA 3.45Å; E63-T79 PolarHBondContact OE1-OG1 3.34Å
80I97.8Very high88.4Confident35 Ų3584.4 Ų84.418%0.17945%0.447CS..EExtended strand (participates in β ladder)trans-105.3-22.4178.160.9171.9000113.1L46 I49 V62 I64 V78 F104L46-I80 HydrophobicContact CD2-CD1 3.95Å; I49-I80 HydrophobicContact CD1-CD1 3.54Å; I49-I80 HydrophobicContact CD1-CG1 3.81Å; V62-I80 HydrophobicContact CB-CG1 4.25Å; V62-I80 HydrophobicContact CG1-CD1 4.03Å; V62-I80 HydrophobicContact CG1-CG1 3.95Å; V62-I80 PolarHBondContact O-N 2.78Å; I64-I80 HydrophobicContact CD1-CD1 4.29Å; I64-I80 HydrophobicContact CD1-CG2 3.74Å; I64-I80 HydrophobicContact CG1-CD1 3.99Å; I64-I80 HydrophobicContact CG1-CG2 3.83Å; V78-I80 HydrophobicContact CG1-CG2 4.46Å; V78-I80 PolarHBondContact O-N 3.18Å; I80-F104 HydrophobicContact CD1-CD1 3.79Å; I80-F104 HydrophobicContact CD1-CE1 3.81Å
81A98.3Very high90Very high8 Ų881 Ų817%0.06643%0.434CS..EExtended strand (participates in β ladder)trans-149.3150.8172.100000112.4I49 V62 L83 V91I49-A81 HydrophobicContact CB-CB 4.4Å; I49-A81 HydrophobicContact CD1-CB 3.92Å; I49-A81 HydrophobicContact CG2-CB 4.36Å; V62-A81 HydrophobicContact CB-CB 4.42Å; V62-A81 PolarHBondContact N-O 3.13Å; V62-A81 PolarHBondContact O-N 2.83Å; A81-L83 HydrophobicContact CB-CG 4.32Å; A81-V91 HydrophobicContact CB-CG1 3.82Å
82S98.4Very high91.8Very high49 Ų4977 Ų7734%0.34342%0.421SS..EExtended strand (participates in β ladder)trans-131.1118.9162.5-68.70000107.6M59 H60M59-S82 WeakPolarHBondContact CE-OG 3.3Å; H60-S82 CarbonylContact O-C 3.56Å; H60-S82 VanDerWaalsContact O-CA 3.31Å; H60-S82 WeakPolarHBondContact O-CA 3.47Å
83L98.6Very high93.6Very high2 Ų274.6 Ų74.61%0.0141%0.407CS..EExtended strand (participates in β ladder)trans-124.7150.5-171.3-60.4177000110.6I49 L51 H60 A81 L88 V91 V113I49-L83 HydrophobicContact CB-CD1 4.47Å; I49-L83 HydrophobicContact CG2-CD1 3.95Å; L51-L83 HydrophobicContact CD1-CB 4.17Å; L51-L83 HydrophobicContact CD2-CB 3.85Å; L51-L83 HydrophobicContact CD2-CD1 4.11Å; L51-L83 HydrophobicContact CG-CB 3.91Å; L51-L83 HydrophobicContact CG-CD1 4.25Å; H60-L83 HydrophobicContact CB-CB 4.41Å; H60-L83 PolarHBondContact N-O 3.1Å; H60-L83 PolarHBondContact O-N 2.94Å; A81-L83 HydrophobicContact CB-CG 4.32Å; L83-L88 VanDerWaalsContact CA-O 3.29Å; L83-L88 WeakPolarHBondContact CA-O 3.32Å; L83-L88 WeakPolarHBondContact CB-O 3.2Å; L83-L88 HydrophobicContact CD2-CD2 4.24Å; L83-L88 HydrophobicContact CD2-CG 4.04Å; L83-L88 WeakPolarHBondContact CD2-O 3.46Å; L83-V91 HydrophobicContact CD2-CB 4.21Å; L83-V91 HydrophobicContact CD2-CG1 4.09Å; L83-V113 HydrophobicContact CD1-CG1 4.19Å
84Q98.4Very high94.9Very high64 Ų6471.9 Ų71.930%0.29941%0.407SS..BIsolated β-bridgetrans-156.6131.4175.5176.5173.7-3.100107.9E57 S86 V87 L88E57-Q84 WeakPolarHBondContact OE1-CG 3.49Å; E57-Q84 PolarHBondContact OE1-NE2 2.9Å; Q84-S86 VanDerWaalsContact C-N 3.33Å; Q84-S86 PolarHBondContact O-N 3.5Å; Q84-V87 HydrophobicContact CB-CB 4.33Å; Q84-V87 HydrophobicContact CG-CG2 4.21Å; Q84-V87 PolarHBondContact O-N 2.83Å; Q84-L88 PolarHBondContact N-O 2.95Å; Q84-L88 CarbonylContact O-C 3.41Å; Q84-L88 PolarHBondContact O-N 2.89Å
85A97.6Very high95.8Very high45 Ų4568 Ų6837%0.37241%0.413SS..THydrogen-bonded Turntrans-61.7-38.4-164.500000113.4L51 E57 V87L51-A85 HydrophobicContact CD1-CB 4Å; E57-A85 WeakPolarHBondContact OE2-CB 3.41Å; A85-V87 PolarHBondContact O-N 2.91Å
86S97.7Very high96.4Very high86 Ų8665.4 Ų65.460%0.60140%0.402SS*.THydrogen-bonded Turntrans-76.5-10.5175.870.80000116.3E57 Q84E57-S86 VanDerWaalsContact CD-OG 3.29Å; E57-S86 WeakPolarHBondContact OE1-CB 3.38Å; E57-S86 PolarHBondContact OE1-OG 3.19Å; E57-S86 WeakPolarHBondContact OE2-CB 3.36Å; E57-S86 PolarHBondContact OE2-N 3.4Å; Q84-S86 VanDerWaalsContact C-N 3.33Å; Q84-S86 PolarHBondContact O-N 3.5Å
87V97.9Very high96.7Very high104 Ų10463.1 Ų63.163%0.6339%0.392SS*.THydrogen-bonded Turntrans-123.3-51.5-170.5-175.20000112.8Q84 A85Q84-V87 HydrophobicContact CB-CB 4.33Å; Q84-V87 HydrophobicContact CG-CG2 4.21Å; Q84-V87 PolarHBondContact O-N 2.83Å; A85-V87 PolarHBondContact O-N 2.91Å
88L98.4Very high96.7Very high80 Ų8062.9 Ų62.942%0.41939%0.388SS..BIsolated β-bridgetrans-150.386.8179.5-173.165.9000108.2L83 Q84 M90L83-L88 VanDerWaalsContact CA-O 3.29Å; L83-L88 WeakPolarHBondContact CA-O 3.32Å; L83-L88 WeakPolarHBondContact CB-O 3.2Å; L83-L88 HydrophobicContact CD2-CD2 4.24Å; L83-L88 HydrophobicContact CD2-CG 4.04Å; L83-L88 WeakPolarHBondContact CD2-O 3.46Å; Q84-L88 PolarHBondContact N-O 2.95Å; Q84-L88 CarbonylContact O-C 3.41Å; Q84-L88 PolarHBondContact O-N 2.89Å; L88-M90 VanDerWaalsContact C-N 3.32Å; L88-M90 VanDerWaalsContact CD1-O 3.25Å; L88-M90 WeakPolarHBondContact CD1-O 3.37Å
89P98Very high96.5Very high64 Ų6462.4 Ų62.442%0.41639%0.388SS..SBendtrans-76.5-18.4-177.729.1-35.1000113.3C50 L51C50-P89 CarbonylContact C-O 3.55Å; C50-P89 WeakPolarHBondContact CA-O 3.46Å; L51-P89 PolarHBondContact N-O 2.83Å
90M98.4Very high96.2Very high96 Ų9661.1 Ų61.147%0.47338%0.381SS..EExtended strand (participates in β ladder)trans-148.3156.3178.167.2-177.5-6700112T48 I49 C50 L88T48-M90 HydrophobicContact CG2-CE 3.84Å; I49-M90 CarbonylContact O-C 3.52Å; I49-M90 VanDerWaalsContact O-CA 3.31Å; I49-M90 WeakPolarHBondContact O-CA 3.33Å; C50-M90 HydrophobicContact CB-CB 3.61Å; L88-M90 VanDerWaalsContact C-N 3.32Å; L88-M90 VanDerWaalsContact CD1-O 3.25Å; L88-M90 WeakPolarHBondContact CD1-O 3.37Å
91V98.2Very high96Very high39 Ų3963.1 Ų63.124%0.23640%0.396CS..EExtended strand (participates in β ladder)trans-139136.7170.7680000110.5T48 I49 A81 L83 M93T48-V91 WeakPolarHBondContact CA-O 3.43Å; I49-V91 HydrophobicContact CB-CG1 4.09Å; I49-V91 PolarHBondContact N-O 3.49Å; I49-V91 PolarHBondContact O-N 2.9Å; A81-V91 HydrophobicContact CB-CG1 3.82Å; L83-V91 HydrophobicContact CD2-CB 4.21Å; L83-V91 HydrophobicContact CD2-CG1 4.09Å; V91-M93 HydrophobicContact CB-CE 4.42Å; V91-M93 HydrophobicContact CG1-CE 3.85Å; V91-M93 HydrophobicContact CG2-CE 3.78Å
92T97.4Very high95.9Very high88 Ų8863.1 Ų63.154%0.5440%0.396SS..EExtended strand (participates in β ladder)trans-92133.8175.7-510000109.9H47 V94H47-T92 CarbonylContact O-C 3.5Å; H47-T92 WeakPolarHBondContact O-CA 3.41Å; H47-T92 WeakPolarHBondContact O-CG2 3.48Å; T92-V94 HydrophobicContact CG2-CG2 4.24Å
93M94.9Very high95.8Very high27 Ų2762.2 Ų62.213%0.13339%0.388CS..EExtended strand (participates in β ladder)trans-103.180.3-174.1-62.4-77.283.100109.7L46 H47 I49 V91 G95 V96L46-M93 HydrophobicContact CB-CB 4.49Å; L46-M93 HydrophobicContact CD2-CG 3.97Å; L46-M93 HydrophobicContact CD2-SD 4.33Å; L46-M93 HydrophobicContact CG-CB 4.26Å; L46-M93 HydrophobicContact CG-CG 4.04Å; L46-M93 WeakPolarHBondContact O-CB 3.32Å; H47-M93 PolarHBondContact O-N 2.83Å; I49-M93 HydrophobicContact CD1-CG 4.38Å; I49-M93 HydrophobicContact CD1-SD 4.08Å; I49-M93 HydrophobicContact CG1-CG 4.08Å; I49-M93 HydrophobicContact CG1-SD 4.38Å; V91-M93 HydrophobicContact CB-CE 4.42Å; V91-M93 HydrophobicContact CG1-CE 3.85Å; V91-M93 HydrophobicContact CG2-CE 3.78Å; M93-G95 PolarHBondContact O-N 3.04Å; M93-V96 HydrophobicContact CB-CB 4.05Å; M93-V96 HydrophobicContact CB-CG2 3.82Å; M93-V96 HydrophobicContact SD-CG2 4.33Å
94V90.1Very high95.8Very high134 Ų13462.1 Ų62.181%0.81239%0.388SS*.EExtended strand (participates in β ladder)trans-75.4123.8-179.5-176.40000110.1T92 V96T92-V94 HydrophobicContact CG2-CG2 4.24Å; V94-V96 VanDerWaalsContact C-N 3.31Å; V94-V96 PolarHBondContact O-N 2.9Å
95G89.1Confident95.8Very high80 Ų8061.1 Ų61.183%0.82538%0.383SS*.EExtended strand (participates in β ladder)trans7510.4175.900000115.8M93 Q97M93-G95 PolarHBondContact O-N 3.04Å; G95-Q97 PolarHBondContact O-N 2.92Å; G95-Q97 VanDerWaalsContact O-N 3.08Å
96V95.6Very high95.9Very high43 Ų4359 Ų5926%0.26137%0.366SS..EExtended strand (participates in β ladder)trans-81.590.8-178.9-177.80000110.4L46 M93 V94 L98L46-V96 HydrophobicContact CB-CB 4.33Å; L46-V96 HydrophobicContact CB-CG1 4.1Å; L46-V96 HydrophobicContact CD2-CG1 4.38Å; L46-V96 PolarHBondContact N-O 2.6Å; M93-V96 HydrophobicContact CB-CB 4.05Å; M93-V96 HydrophobicContact CB-CG2 3.82Å; M93-V96 HydrophobicContact SD-CG2 4.33Å; V94-V96 VanDerWaalsContact C-N 3.31Å; V94-V96 PolarHBondContact O-N 2.9Å; V96-L98 HydrophobicContact CG1-CD1 4.18Å; V96-L98 HydrophobicContact CG1-CD2 4.08Å; V96-L98 HydrophobicContact CG1-CG 4.06Å
97Q95.9Very high95.9Very high90 Ų9061.1 Ų61.142%0.42136%0.36SS..EExtended strand (participates in β ladder)trans-104.5125.9176-177.5164.6-4200110.7R43 L44 L45 G95R43-Q97 HydrophobicContact CB-CG 4.01Å; R43-Q97 HydrophobicContact CG-CG 4.4Å; L44-Q97 WeakPolarHBondContact O-CA 3.14Å; L45-Q97 HydrophobicContact CD1-CG 4.05Å; G95-Q97 PolarHBondContact O-N 2.92Å; G95-Q97 VanDerWaalsContact O-N 3.08Å
98L94.9Very high95.9Very high34 Ų3458 Ų5818%0.17835%0.345CS..EExtended strand (participates in β ladder)trans-124138.8-169.9-56.3171.6000111.7L44 I64 V96 V102 F104L44-L98 HydrophobicContact CB-CB 4.38Å; L44-L98 PolarHBondContact N-O 2.8Å; L44-L98 PolarHBondContact O-N 2.97Å; I64-L98 HydrophobicContact CD1-CD1 3.75Å; I64-L98 HydrophobicContact CD1-CD2 3.99Å; V96-L98 HydrophobicContact CG1-CD1 4.18Å; V96-L98 HydrophobicContact CG1-CD2 4.08Å; V96-L98 HydrophobicContact CG1-CG 4.06Å; L98-V102 HydrophobicContact CB-CG2 3.72Å; L98-V102 HydrophobicContact CD1-CG1 4.13Å; L98-F104 HydrophobicContact CD1-CE1 4.06Å; L98-F104 HydrophobicContact CD1-CZ 3.89Å
99S92.9Very high95.9Very high80 Ų8055 Ų5556%0.55933%0.333SS*.PPolyproline II helixtrans-82.5123.3177-570000111R43 V102R43-S99 PolarHBondContact NH1-OG 3.11Å; S99-V102 VanDerWaalsContact O-CG2 3.31Å; S99-V102 WeakPolarHBondContact O-CG2 3.26Å
100P92.6Very high95.9Very high35 Ų3552.6 Ų52.623%0.22732%0.318CS..SBendtrans-70.8153.1176.3-18.934.7000112.5F32 P34 C42F32-P100 HydrophobicContact CD1-CB 4.13Å; F32-P100 HydrophobicContact CD1-CG 4Å; F32-P100 HydrophobicContact CE1-CB 4.1Å; F32-P100 HydrophobicContact CE1-CG 3.61Å; P34-P100 HydrophobicContact CG-CB 3.9Å; P34-P100 HydrophobicContact CG-CG 4.11Å; C42-P100 HydrophobicContact CB-CG 4.48Å; C42-P100 WeakPolarHBondContact O-CD 3.43Å
101P92.8Very high95.9Very high77 Ų7748.2 Ų48.250%0.530%0.298SS..SBendcis-79.3133.7-3.632.1-34000112.5T31 F32 R33T31-P101 HydrophobicContact CG2-CB 4.23Å; F32-P101 WeakPolarHBondContact O-CA 3.35Å; R33-P101 HydrophobicContact CG-CB 4.45Å
102V95.3Very high95.9Very high9 Ų947.3 Ų47.36%0.05529%0.293CS..EExtended strand (participates in β ladder)trans-106.9133178.5-1740000109T31 F32 I64 L98 S99 F104T31-V102 CarbonylContact C-O 3.47Å; T31-V102 VanDerWaalsContact CA-O 3.27Å; T31-V102 WeakPolarHBondContact CA-O 3.44Å; F32-V102 HydrophobicContact CB-CB 4.45Å; F32-V102 PolarHBondContact N-O 2.85Å; F32-V102 PolarHBondContact O-N 3.02Å; I64-V102 HydrophobicContact CD1-CG1 4.35Å; I64-V102 HydrophobicContact CG1-CG1 4.47Å; I64-V102 HydrophobicContact CG2-CG1 4.07Å; L98-V102 HydrophobicContact CB-CG2 3.72Å; L98-V102 HydrophobicContact CD1-CG1 4.13Å; S99-V102 VanDerWaalsContact O-CG2 3.31Å; S99-V102 WeakPolarHBondContact O-CG2 3.26Å; V102-F104 HydrophobicContact CB-CE2 4.25Å; V102-F104 HydrophobicContact CB-CZ 4.38Å; V102-F104 HydrophobicContact CG1-CD1 4.47Å; V102-F104 HydrophobicContact CG1-CD2 4.34Å; V102-F104 HydrophobicContact CG1-CE1 3.96Å; V102-F104 HydrophobicContact CG1-CE2 3.8Å; V102-F104 HydrophobicContact CG1-CZ 3.61Å
103T97.4Very high96Very high30 Ų3043.1 Ų43.118%0.18427%0.267CS..EExtended strand (participates in β ladder)trans-114.4116172.6-58.20000111.7W30 T31 I64 L65W30-T103 WeakPolarHBondContact O-CA 3.28Å; T31-T103 WeakPolarHBondContact CG2-OG1 3.19Å; T31-T103 WeakPolarHBondContact OG1-CG2 3.47Å; T31-T103 PolarHBondContact OG1-OG1 3.27Å; I64-T103 WeakPolarHBondContact CA-O 3.21Å; L65-T103 HydrophobicContact CB-CG2 4.42Å; L65-T103 HydrophobicContact CD1-CG2 3.92Å; L65-T103 HydrophobicContact CG-CG2 4.37Å; L65-T103 PolarHBondContact N-O 3.18Å
104F98.3Very high96.1Very high0 Ų045.7 Ų45.70%028%0.277CS..EExtended strand (participates in β ladder)trans-90145.5173.2-56.2-80.1000110.8W19 L23 T29 W30 L44 L46 E63 I64 I80 L98 V102 L115W19-F104 AromaticContact CH2-CD2 3.91Å; W19-F104 HydrophobicContact CH2-CD2 3.91Å; W19-F104 AromaticContact CH2-CE2 3.48Å; W19-F104 HydrophobicContact CH2-CE2 3.48Å; W19-F104 VanDerWaalsContact CH2-CE2 3.48Å; W19-F104 HydrophobicContact CH2-CZ 4.24Å; W19-F104 HydrophobicContact CZ2-CD2 4.39Å; W19-F104 HydrophobicContact CZ2-CE2 4.03Å; W19-F104 HydrophobicContact CZ3-CE2 4.27Å; L23-F104 HydrophobicContact CD1-CB 4.09Å; T29-F104 VanDerWaalsContact CA-O 3.28Å; T29-F104 WeakPolarHBondContact CA-O 3.39Å; W30-F104 PolarHBondContact N-O 2.81Å; W30-F104 PolarHBondContact O-N 2.86Å; L44-F104 HydrophobicContact CD2-CE2 3.73Å; L44-F104 HydrophobicContact CD2-CZ 3.7Å; L46-F104 HydrophobicContact CD2-CE1 4.17Å; E63-F104 CarbonylContact O-C 3.6Å; E63-F104 WeakPolarHBondContact O-CA 3Å; I64-F104 HydrophobicContact CD1-CE1 4.07Å; I64-F104 HydrophobicContact CG1-CD1 3.89Å; I64-F104 HydrophobicContact CG1-CE1 3.9Å; I80-F104 HydrophobicContact CD1-CD1 3.79Å; I80-F104 HydrophobicContact CD1-CE1 3.81Å; L98-F104 HydrophobicContact CD1-CE1 4.06Å; L98-F104 HydrophobicContact CD1-CZ 3.89Å; V102-F104 HydrophobicContact CB-CE2 4.25Å; V102-F104 HydrophobicContact CB-CZ 4.38Å; V102-F104 HydrophobicContact CG1-CD1 4.47Å; V102-F104 HydrophobicContact CG1-CD2 4.34Å; V102-F104 HydrophobicContact CG1-CE1 3.96Å; V102-F104 HydrophobicContact CG1-CE2 3.8Å; V102-F104 HydrophobicContact CG1-CZ 3.61Å; F104-L115 HydrophobicContact CB-CD2 4.08Å; F104-L115 HydrophobicContact CD1-CD2 3.47Å; F104-L115 VanDerWaalsContact CD1-CD2 3.47Å; F104-L115 HydrophobicContact CD2-CD2 4.05Å; F104-L115 HydrophobicContact CE1-CD2 3.8Å; F104-L115 HydrophobicContact CE2-CD2 4.34Å; F104-L115 HydrophobicContact CG-CD2 3.59Å; F104-L115 HydrophobicContact CZ-CD2 4.22Å
105Q98.4Very high96.5Very high43 Ų4339.4 Ų39.420%0.20124%0.239CC..EExtended strand (participates in β ladder)trans-133.8133176.4178.1168.8104.200111.8R28 T29 V62 E63 L65 R107R28-Q105 CarbonylContact O-C 3.45Å; R28-Q105 VanDerWaalsContact O-CA 3.28Å; R28-Q105 WeakPolarHBondContact O-CA 3.47Å; T29-Q105 HydrophobicContact CG2-CB 4Å; T29-Q105 HydrophobicContact CG2-CG 4.02Å; V62-Q105 CarbonylContact C-O 3.38Å; V62-Q105 WeakPolarHBondContact CA-O 3.46Å; E63-Q105 PolarHBondContact N-O 2.91Å; E63-Q105 PolarHBondContact O-N 3.01Å; L65-Q105 HydrophobicContact CD1-CB 4.2Å; L65-Q105 HydrophobicContact CD2-CB 4.01Å; L65-Q105 HydrophobicContact CG-CB 3.99Å; Q105-R107 PolarHBondContact O-N 3.26Å
106L98.7Very high97Very high1 Ų138 Ų381%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-82.9102.1162-177.267.1000108.6L23 R28 H60 V62 A108 V113L23-L106 HydrophobicContact CB-CB 3.83Å; L23-L106 HydrophobicContact CD1-CB 4.35Å; R28-L106 PolarHBondContact O-N 2.99Å; H60-L106 HydrophobicContact CB-CD1 4.37Å; V62-L106 HydrophobicContact CG2-CD1 4.34Å; L106-A108 WeakPolarHBondContact CD1-O 3.06Å; L106-V113 HydrophobicContact CD1-CB 4.44Å; L106-V113 HydrophobicContact CD1-CG2 3.63Å; L106-V113 HydrophobicContact CD2-CG2 4.34Å
107R98.3Very high97Very high130 Ų13036 Ų3649%0.49121%0.205SC..EExtended strand (participates in β ladder)trans-85.4-29.5-174.3-176.658.8176.5-94.88.3113.5R61 E63 Q105R61-R107 HydrophobicContact CB-CB 4.43Å; R61-R107 PolarHBondContact O-N 3.38Å; E63-R107 HydrophobicContact CG-CB 3.82Å; E63-R107 HydrophobicContact CG-CG 4.38Å; E63-R107 IonicContact OE1-NH1 3.93Å; E63-R107 WeakPolarHBondContact OE2-CB 3.32Å; E63-R107 VanDerWaalsContact OE2-CG 3.3Å; E63-R107 WeakPolarHBondContact OE2-CG 3.31Å; E63-R107 IonicContact OE2-CZ 3.86Å; E63-R107 IonicContact OE2-NH1 2.88Å; E63-R107 PolarHBondContact OE2-NH1 3.11Å; Q105-R107 PolarHBondContact O-N 3.26Å
108A98.2Very high97Very high37 Ų3734.6 Ų34.631%0.30620%0.198SC..EExtended strand (participates in β ladder)trans-143157.4177.400000110.2M59 H60 R61 L106M59-A108 CarbonylContact O-C 3.15Å; H60-A108 VanDerWaalsContact CA-O 3.3Å; H60-A108 WeakPolarHBondContact CA-O 3.47Å; R61-A108 HydrophobicContact CB-CB 3.99Å; R61-A108 PolarHBondContact N-O 3.46Å; R61-A108 VanDerWaalsContact N-O 3.11Å; L106-A108 WeakPolarHBondContact CD1-O 3.06Å
109G98.3Very high97Very high17 Ų1733 Ų3318%0.17519%0.19CC..SBendtrans81.8161.6-172.100000113.8E58 M59E58-G109 WeakPolarHBondContact OE1-CA 3.31Å; M59-G109 PolarHBondContact O-N 2.88Å
110S98.2Very high97Very high14 Ų1433 Ų3310%0.09818%0.178CC..  trans-85.9-17.417468.90000114.3S24 Q25 K56 E58S24-S110 CarbonylContact C-O 3.58Å; S24-S110 WeakPolarHBondContact CA-O 3.43Å; Q25-S110 PolarHBondContact N-O 3.46Å; K56-S110 PolarHBondContact NZ-OG 3.29Å; E58-S110 PolarHBondContact OE1-N 3.45Å; E58-S110 PolarHBondContact OE1-OG 3.41Å
111G97.6Very high96.9Very high4 Ų431.5 Ų31.54%0.04117%0.167CC..  trans67.1-166.1-16700000111.9A55 H60A55-G111 WeakPolarHBondContact CA-O 3.34Å; H60-G111 PolarHBondContact CD2-N 3.18Å; H60-G111 VanDerWaalsContact CD2-N 3.27Å; H60-G111 WeakPolarHBondContact NE2-CA 3.45Å; H60-G111 PolarHBondContact NE2-N 2.97Å
112P98.6Very high96.5Very high21 Ų2130.6 Ų30.614%0.13616%0.156CC..  cis-70.4141.96.628.4-36.4000113.7E22 G52 K54 F114E22-P112 HydrophobicContact CG-CB 3.96Å; E22-P112 WeakPolarHBondContact OE1-CB 3.15Å; G52-P112 PolarHBondContact N-O 3.01Å; K54-P112 HydrophobicContact CB-CG 4.29Å; P112-F114 HydrophobicContact CB-CE2 4.19Å; P112-F114 HydrophobicContact CB-CZ 4.18Å; P112-F114 HydrophobicContact CG-CE2 4.41Å
113V98.8Very high95.4Very high0 Ų032.2 Ų32.20%017%0.171CC..EExtended strand (participates in β ladder)trans-121.8124.6170.8-169.60000108.3L23 I49 C50 L51 H60 V62 L83 L106L23-V113 PolarHBondContact N-O 2.94Å; L23-V113 PolarHBondContact O-N 3.11Å; I49-V113 HydrophobicContact CG2-CG1 3.74Å; C50-V113 CarbonylContact O-C 3.47Å; C50-V113 WeakPolarHBondContact O-CA 3.31Å; C50-V113 WeakPolarHBondContact O-CG1 3.34Å; L51-V113 HydrophobicContact CD2-CG1 4.38Å; L51-V113 HydrophobicContact CD2-CG2 3.77Å; H60-V113 HydrophobicContact CB-CG2 4.15Å; V62-V113 HydrophobicContact CG2-CG1 3.94Å; L83-V113 HydrophobicContact CD1-CG1 4.19Å; L106-V113 HydrophobicContact CD1-CB 4.44Å; L106-V113 HydrophobicContact CD1-CG2 3.63Å; L106-V113 HydrophobicContact CD2-CG2 4.34Å
114F98.8Very high93.8Very high80 Ų8033.6 Ų33.635%0.35118%0.181SC..EExtended strand (participates in β ladder)trans-99.1138.3178.7-61.8-76.5000110.7C21 E22 I49 C50 P112C21-F114 WeakPolarHBondContact O-CA 3.24Å; E22-F114 HydrophobicContact CB-CD1 3.88Å; E22-F114 HydrophobicContact CB-CE1 3.71Å; E22-F114 HydrophobicContact CG-CD1 4Å; E22-F114 HydrophobicContact CG-CE1 3.55Å; E22-F114 HydrophobicContact CG-CZ 4.1Å; E22-F114 WeakPolarHBondContact OE2-CE1 3.49Å; I49-F114 CarbonylContact C-O 3.49Å; I49-F114 WeakPolarHBondContact CA-O 3.4Å; C50-F114 PolarHBondContact N-O 2.89Å; C50-F114 PolarHBondContact O-N 3.01Å; P112-F114 HydrophobicContact CB-CE2 4.19Å; P112-F114 HydrophobicContact CB-CZ 4.18Å; P112-F114 HydrophobicContact CG-CE2 4.41Å
115L98.7Very high91.8Very high2 Ų237.5 Ų37.51%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-113.9137.3167.1-7173.5000107.3W19 G20 C21 L23 L46 T48 I49 V62 F104W19-L115 HydrophobicContact CH2-CB 4.13Å; W19-L115 HydrophobicContact CH2-CD2 4.48Å; W19-L115 HydrophobicContact CZ3-CB 3.91Å; G20-L115 CarbonylContact C-O 3.58Å; G20-L115 WeakPolarHBondContact CA-O 3.27Å; C21-L115 PolarHBondContact N-O 2.87Å; C21-L115 PolarHBondContact O-N 3.03Å; L23-L115 HydrophobicContact CD1-CD1 3.68Å; L23-L115 HydrophobicContact CG-CD1 4.1Å; L46-L115 HydrophobicContact CD1-CB 4.1Å; L46-L115 HydrophobicContact CD1-CD2 4.26Å; T48-L115 WeakPolarHBondContact O-CA 3.48Å; I49-L115 HydrophobicContact CD1-CD2 4.42Å; I49-L115 HydrophobicContact CD1-CG 4.32Å; I49-L115 HydrophobicContact CG1-CG 4.12Å; I49-L115 HydrophobicContact CG2-CD1 4.11Å; I49-L115 HydrophobicContact CG2-CG 4.08Å; V62-L115 HydrophobicContact CG1-CD1 4.41Å; V62-L115 HydrophobicContact CG1-CD2 4.37Å; F104-L115 HydrophobicContact CB-CD2 4.08Å; F104-L115 HydrophobicContact CD1-CD2 3.47Å; F104-L115 VanDerWaalsContact CD1-CD2 3.47Å; F104-L115 HydrophobicContact CD2-CD2 4.05Å; F104-L115 HydrophobicContact CE1-CD2 3.8Å; F104-L115 HydrophobicContact CE2-CD2 4.34Å; F104-L115 HydrophobicContact CG-CD2 3.59Å; F104-L115 HydrophobicContact CZ-CD2 4.22Å
116C98Very high89.4Confident52 Ų5241 Ų4135%0.35122%0.222SC..EExtended strand (participates in β ladder)trans-137.6156.6171.372.70000112.4W19 H47 T48W19-C116 WeakPolarHBondContact O-CA 3.28Å; H47-C116 PolarHBondContact N-O 2.73Å; T48-C116 PolarHBondContact N-O 2.67Å; T48-C116 VanDerWaalsContact N-O 3.15Å; T48-C116 PolarHBondContact O-N 3.27Å
117G97.1Very high87.1Confident1 Ų146.1 Ų46.11%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-178.3-159.3-170.500000111.9W19 L45W19-G117 PolarHBondContact N-O 3.32Å; W19-G117 PolarHBondContact O-N 3.01Å; W19-G117 VanDerWaalsContact O-O 3.08Å; L45-G117 CarbonylContact O-C 3.56Å; L45-G117 WeakPolarHBondContact O-CA 3.43Å
118Q95.6Very high84.6Confident60 Ų6050.3 Ų50.328%0.2827%0.269SS..EExtended strand (participates in β ladder)trans-135.7141.2173-69-179.3-68.400111.8T16 V17 L45 H47 R120T16-Q118 PolarHBondContact OG1-NE2 3.46Å; V17-Q118 CarbonylContact O-C 3.1Å; V17-Q118 WeakPolarHBondContact O-CA 3.32Å; V17-Q118 WeakPolarHBondContact O-CB 3.16Å; L45-Q118 PolarHBondContact N-O 2.87Å; L45-Q118 PolarHBondContact O-N 2.83Å; H47-Q118 PolarHBondContact CE1-OE1 3.16Å; Q118-R120 PolarHBondContact O-N 2.84Å
119E94.1Very high82.3Confident1 Ų156.7 Ų56.71%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-77.4114159.6-38.9-175.1-171.900107.1T16 V17 W19 F32 Q35 Y121T16-E119 CarbonylContact C-O 3.59Å; T16-E119 VanDerWaalsContact CA-O 3.31Å; T16-E119 WeakPolarHBondContact CA-O 3.35Å; V17-E119 HydrophobicContact CB-CB 4.22Å; V17-E119 HydrophobicContact CB-CG 4.37Å; V17-E119 PolarHBondContact N-O 2.83Å; V17-E119 PolarHBondContact O-N 3.31Å; W19-E119 HydrophobicContact CB-CG 3.96Å; W19-E119 HydrophobicContact CG-CG 4.42Å; F32-E119 HydrophobicContact CE2-CG 3.77Å; F32-E119 WeakPolarHBondContact CE2-OE1 3.31Å; F32-E119 HydrophobicContact CZ-CB 4.17Å; F32-E119 HydrophobicContact CZ-CG 3.62Å; Q35-E119 PolarHBondContact N-OE2 3.22Å; Q35-E119 PolarHBondContact NE2-OE1 2.76Å; E119-Y121 HydrophobicContact CB-CD2 4.42Å; E119-Y121 HydrophobicContact CB-CE2 3.64Å; E119-Y121 PolarHBondContact OE2-OH 3.23Å
120R92.4Very high79.9Confident80 Ų8064.8 Ų64.830%0.30233%0.326SS..EExtended strand (participates in β ladder)trans-100.4130.4172.7-176.7-178.4-176.3173.60.8108.6V14 T16 C42 R43 L45 Q118 E122V14-R120 HydrophobicContact CG1-CG 3.62Å; T16-R120 HydrophobicContact CG2-CG 4.41Å; C42-R120 CarbonylContact C-O 3.56Å; C42-R120 WeakPolarHBondContact CA-O 3.46Å; R43-R120 HydrophobicContact CB-CB 4.5Å; R43-R120 PolarHBondContact N-O 3.18Å; R43-R120 PolarHBondContact O-N 3.36Å; L45-R120 HydrophobicContact CD1-CB 3.66Å; L45-R120 HydrophobicContact CD1-CG 4.49Å; Q118-R120 PolarHBondContact O-N 2.84Å; R120-E122 IonicContact CZ-OE1 3.39Å; R120-E122 IonicContact NE-OE1 3.19Å; R120-E122 PolarHBondContact NE-OE1 2.75Å; R120-E122 IonicContact NH1-OE1 3.82Å; R120-E122 IonicContact NH2-OE1 3.87Å
121Y90.4Very high77.5Confident2 Ų273.3 Ų73.31%0.00836%0.364CS..EExtended strand (participates in β ladder)trans-118111.9172.2-58.8-97.4000107.8T15 V17 P34 Q35 L36 K39 C42 E119T15-Y121 PolarHBondContact N-O 3.48Å; T15-Y121 PolarHBondContact O-N 2.95Å; V17-Y121 HydrophobicContact CG2-CE2 4.25Å; P34-Y121 HydrophobicContact CB-CE1 4.17Å; Q35-Y121 PolarHBondContact N-OH 2.92Å; L36-Y121 HydrophobicContact CB-CD1 4.43Å; L36-Y121 HydrophobicContact CB-CE1 3.73Å; L36-Y121 PolarHBondContact N-OH 2.59Å; K39-Y121 HydrophobicContact CB-CD1 3.75Å; K39-Y121 HydrophobicContact CB-CE1 4.28Å; K39-Y121 HydrophobicContact CD-CD1 3.99Å; K39-Y121 HydrophobicContact CD-CG 4.32Å; K39-Y121 HydrophobicContact CG-CD1 4.45Å; C42-Y121 HydrophobicContact CB-CD1 3.78Å; C42-Y121 HydrophobicContact CB-CE1 3.62Å; C42-Y121 VanDerWaalsContact SG-CE1 3.5Å; E119-Y121 HydrophobicContact CB-CD2 4.42Å; E119-Y121 HydrophobicContact CB-CE2 3.64Å; E119-Y121 PolarHBondContact OE2-OH 3.23Å
122E84.8Confident75.2Confident59 Ų5982.4 Ų82.428%0.27641%0.406SS..PPolyproline II helixtrans-78.9139.5170.2-74.1145.1-165.500108.8N41 R120N41-E122 HydrophobicContact CB-CB 4.11Å; N41-E122 WeakPolarHBondContact CB-O 3.39Å; N41-E122 PolarHBondContact O-N 3.07Å; R120-E122 IonicContact CZ-OE1 3.39Å; R120-E122 IonicContact NE-OE1 3.19Å; R120-E122 PolarHBondContact NE-OE1 2.75Å; R120-E122 IonicContact NH1-OE1 3.82Å; R120-E122 IonicContact NH2-OE1 3.87Å
123A73Confident72.8Confident43 Ų4391.1 Ų91.136%0.35544%0.444SS..PPolyproline II helixtrans-62.7138.9171.200000109.1
124S64.4Low70.5Confident58 Ų58100.2 Ų100.241%0.40649%0.487SS..PPolyproline II helixtrans-76.1134.4166.7-61.50000108.6N41 L126N41-S124 PolarHBondContact ND2-OG 2.89Å; N41-S124 VanDerWaalsContact ND2-OG 3.16Å; S124-L126 PolarHBondContact O-N 3.2Å
125D55.2Low67.9Low82 Ų82106.2 Ų106.244%0.43952%0.516SS..  trans-74.676.8170.4-62.6-23.5000109.3K12 T127K12-D125 WeakPolarHBondContact CD-OD1 3.43Å; K12-D125 WeakPolarHBondContact CE-OD1 3.32Å; K12-D125 IonicContact NZ-OD1 2.67Å; K12-D125 PolarHBondContact NZ-OD1 3.48Å; K12-D125 IonicContact NZ-OD2 2.73Å; K12-D125 PolarHBondContact NZ-OD2 2.85Å; D125-T127 PolarHBondContact O-N 3.3Å
126L49.5Very low65.3Low118 Ų118109.8 Ų109.862%0.61855%0.553SS**  trans-84.78.3175.4-60.8179.8000112.8S124 W128S124-L126 PolarHBondContact O-N 3.2Å; L126-W128 PolarHBondContact O-N 3.49Å
127T49.4Very low62.5Low107 Ų107116.2 Ų116.266%0.65658%0.578SS**THydrogen-bonded Turntrans-75.331.7175.160.20000112.8D125D125-T127 PolarHBondContact O-N 3.3Å
128W46.1Very low59.9Low219 Ų219124.9 Ų124.983%0.8362%0.618SS**THydrogen-bonded Turntrans-134.46.7-177.2-76.8100.2000112.6L126L126-W128 PolarHBondContact O-N 3.49Å
129E48.9Very low57.1Low171 Ų171130.9 Ų130.980%0.79965%0.646SS**SBendtrans-126.319.1-177.1-63.2-176.6170.100112.5
130E48.3Very low54.4Low186 Ų186139.9 Ų139.987%0.86969%0.688SS**SBendtrans-135.921.5-172.4-154.2167.2-141.800113.5
131E48.7Very low52.1Low193 Ų193145.1 Ų145.190%0.90272%0.716SS**SBendtrans-135.122.1-175.7-152.9174.1-146.200113.9
132E48.3Very low49.6Very low196 Ų196154.3 Ų154.392%0.91676%0.759SS**SBendtrans-126.513.1178.1-81-164.8163.300115.3
133E47.9Very low47.4Very low203 Ų203160.1 Ų160.195%0.94979%0.787SS**SBendtrans-128.541.5175.2-70.6-163.7150.200114.1
134E50.2Low45.8Very low192 Ų192167 Ų16790%0.89781%0.811SS**  trans-144.549.4169.7-155174.8-136.200114.7
135E46Very low44.5Very low206 Ų206172 Ų17296%0.96383%0.833SS**  trans-132.8113.2152.6-84.6-164.6179.300109.4
136G42.3Very low43.9Very low76 Ų76174.9 Ų174.978%0.78485%0.849SS**  trans176.737.8-171.100000114.2E138G136-E138 PolarHBondContact O-N 3.39Å
137E40.7Very low43.6Very low188 Ų188177.9 Ų177.988%0.87986%0.86SS**  trans-52123.3169.6-58.5175.1143.300108.8
138E40.9Very low43.4Very low183 Ų183179.7 Ų179.786%0.85587%0.865SS**  70.2152.277.4-70.4-158.7172.200114.5G136G136-E138 PolarHBondContact O-N 3.39Å
139E37.3Very low43.5Very low186 Ų186178.4 Ų178.487%0.86987%0.869SS**  trans71.7141.1-173.4-47.5-170.4155.600114.8
140E38.1Very low43.2Very low189 Ų189177.4 Ų177.488%0.88387%0.869SS**  cis-131.415810.4-65172.5137.200112.5
141E43.3Very low43Very low190 Ų190173.1 Ų173.189%0.88887%0.865SS**  trans-118.2122.9169.1-68.3-176138.400110.9
142E39.3Very low42.6Very low196 Ų196170.7 Ų170.792%0.91686%0.859SS**  trans-154.3143.5158.9-65.8-165.6152.900108
143E38.7Very low42.4Very low181 Ų181167 Ų16785%0.84685%0.849SS**  cis126163.94.4-83.2-76.5148.200112.4
144E37.7Very low42.4Very low187 Ų187161.7 Ų161.787%0.87483%0.834SS**  trans67.6-180-177.8-63.9-160.5150.500119.9
145D38.7Very low42Very low162 Ų162159 Ų15987%0.86683%0.825SS**  trans-121.9170.7-155.3-68.9-53000113.5
146D42.6Very low42.3Very low143 Ų143156.5 Ų156.577%0.76581%0.814SS**  cis-172.1-120.2-25.6-177.471.9000108.6
147E42.2Very low42.6Very low181 Ų181160.4 Ų160.485%0.84681%0.812SS**  trans80.890.5172-65-167.4169.500121
148D45.7Very low42.6Very low146 Ų146158.4 Ų158.478%0.78180%0.802SS**  32.3132.5127.6-68.2-31.7000124
149E47.3Very low42.5Very low192 Ų192155 Ų15590%0.89780%0.799SS**  -165.2155.6106.3-124.6-171.5172.600113.6
150D42.9Very low43Very low149 Ų149150.1 Ų150.180%0.79778%0.783SS**  trans-82.9152.8-165-58.4-107.3000118.6
151A43.9Very low43Very low97 Ų97146.1 Ų146.180%0.80277%0.771SS**  trans-179.895.2137.200000109.2
152D41Very low43Very low142 Ų142145.2 Ų145.276%0.75977%0.765SS**  71.1142.867.2-164.4-141.2000115.7
153V44.4Very low43.1Very low119 Ų119144 Ų14472%0.72176%0.759SS**  trans54.9134-176.9-590000117.9
154S47.6Very low43.4Very low90 Ų90142.4 Ų142.463%0.62976%0.761SS**  cis-157.8144.8-3.8-109.70000108.7
155L41.6Very low43.8Very low136 Ų136142.7 Ų142.771%0.71276%0.759SS**  52130.689.7-54.1-178.1000113.4
156E51.6Low43.8Very low154 Ų154145.7 Ų145.772%0.7276%0.758SS**  cis-164.1175.111.2-103.6152.9163.300107.1
157E49.9Very low43.7Very low158 Ų158145.3 Ų145.374%0.73876%0.756SS**  cis-157.7-16111.7-141-171.476.800112.3
158E40Very low43.6Very low145 Ų145142.8 Ų142.868%0.67875%0.752SS**  trans-44.5153.7-179.3-65.1-17033.400117.5
159S38.6Very low43.8Very low112 Ų112141.3 Ų141.378%0.78375%0.751SS**  cis63.7169.146.7-128.20000113.2
160P47.6Very low43.8Very low84 Ų84139.4 Ų139.455%0.54574%0.742SS.*  cis-135.9-164.2-7.532-8.4000115.2
161V37.7Very low43.8Very low105 Ų105141.5 Ų141.564%0.63674%0.744SS**  trans71.5106.2152.8-71.80000125.2
162K43.6Very low43.9Very low171 Ų171144 Ų14474%0.74374%0.739SS**  75.3124.9118-71.3170.9-174.5161.10123.5
163Q42.1Very low43.7Very low171 Ų171143.1 Ų143.180%0.79974%0.739SS**  trans71.3129.8133.3-66177.58.700121.5
164V44.1Very low43.5Very low146 Ų146142.1 Ų142.189%0.88574%0.737SS**  -161.8161.2116.7135.30000110.2
165K47.8Very low43.2Very low193 Ų193144.6 Ų144.684%0.83975%0.748SS**  trans-106.4169.8-175.2-58.3175.3-178.7176.50112.2
166R38.5Very low43.2Very low225 Ų225143 Ų14385%0.84976%0.755SS**  trans100.6141.3172.2-62.5171.976.9128.7-2.8113.3
167L39.5Very low43Very low136 Ų136145.3 Ų145.371%0.71276%0.762SS**  cis-152.5153.13.4-117.8162.1000111.6
168V40.3Very low43.1Very low127 Ų127147.6 Ų147.677%0.7777%0.77SS**  trans-94.2174.7164.8-114.20000109
169P49.4Very low43.3Very low116 Ų116149.8 Ų149.875%0.75378%0.777SS**  cis-141.6164.715.141.6-21.8000119.6
170Q47Very low43.5Very low151 Ų151152.3 Ų152.371%0.70677%0.774SS**  trans-18137.7141.4176.9-170.26.100119.6
171K43.8Very low43.2Very low193 Ų193154.8 Ų154.884%0.83978%0.782SS**  trans-165.2137.5138.9-105165.7-175.6177.90108.4
172Q46Very low43.2Very low150 Ų150155.6 Ų155.670%0.70178%0.779SS**  cis73.6147.636.1-87.5-165.7-1100117.2
173T36.3Very low43.2Very low124 Ų124154.8 Ų154.876%0.76178%0.775SS**  trans75.1147.4-179.969.10000116.8
174S40.3Very low42.9Very low98 Ų98153.5 Ų153.569%0.68577%0.769SS**  cis141.7135.6-33.766.50000112.7
175V40.9Very low42.5Very low142 Ų142153.4 Ų153.486%0.86176%0.759SS**  trans67.6124.3157.3177.30000119.4
176A42.5Very low41.9Very low102 Ų102151.2 Ų151.284%0.84375%0.752SS**  trans-159126138.600000112.8
177K46.5Very low41.9Very low203 Ų203148 Ų14888%0.88375%0.746SS**  trans-114.3131.4166.5-82.6-178.4175.8175.30110.3
178K52.2Low41.4Very low206 Ų206146.4 Ų146.490%0.89674%0.743SS**  trans-153.9138.2153.7-60.3-171.4-178.4176.40106.7
179K45.4Very low41.2Very low191 Ų191152.3 Ų152.383%0.8375%0.751SS**  cis80.689.116-160-172.5175.8-177.40118
180K42.5Very low40.5Very low165 Ų165151.4 Ų151.472%0.71775%0.754SS**  trans-164.7146.4135-101.3-160.9171.3-164.70106.9E182K180-E182 WeakPolarHBondContact CD-OE1 3.24Å; K180-E182 VanDerWaalsContact CE-OE1 3.25Å; K180-E182 WeakPolarHBondContact CE-OE1 3.25Å; K180-E182 VanDerWaalsContact CE-OE2 3.24Å; K180-E182 WeakPolarHBondContact CE-OE2 3.45Å; K180-E182 IonicContact NZ-OE1 3.61Å; K180-E182 IonicContact NZ-OE2 2.63Å; K180-E182 PolarHBondContact NZ-OE2 2.63Å
181L41.1Very low40.1Very low135 Ų135149.2 Ų149.271%0.70776%0.755SS**  cis86.3146.516.8-162.763.3000116.6
182E36.8Very low39.8Very low122 Ų122145.9 Ų145.957%0.5775%0.75SS**  trans86151.3180-58.2114-112.800116.6K180K180-E182 WeakPolarHBondContact CD-OE1 3.24Å; K180-E182 VanDerWaalsContact CE-OE1 3.25Å; K180-E182 WeakPolarHBondContact CE-OE1 3.25Å; K180-E182 VanDerWaalsContact CE-OE2 3.24Å; K180-E182 WeakPolarHBondContact CE-OE2 3.45Å; K180-E182 IonicContact NZ-OE1 3.61Å; K180-E182 IonicContact NZ-OE2 2.63Å; K180-E182 PolarHBondContact NZ-OE2 2.63Å
183K43.7Very low39.4Very low154 Ų154148.9 Ų148.967%0.6776%0.755SS**  -177.5118.7-75.4162.5-107.7165-165.30110.1
184E37.1Very low39.4Very low144 Ų144148.3 Ų148.367%0.67375%0.747SS**  trans172.9136.8151.9-100.8150.8-168.800112.6
185Q34.2Very low39.2Very low145 Ų145151.5 Ų151.568%0.67875%0.749SS**  67.4149.692.1-75.1-165.1-57.700116.2
186E36.7Very low39.5Very low147 Ų147150.3 Ų150.369%0.68775%0.747SS**  cis-166157.3-23.7-166.8163.712300110.1
187E36.8Very low39.8Very low156 Ų156151.6 Ų151.673%0.72975%0.747SS**  trans59.3140.8157.1-96.3-135.212000126.1
188T30.2Very low39.6Very low104 Ų104145.9 Ų145.964%0.63874%0.737SS**  trans64.6112.8155.868.90000122.7
189R36.8Very low39.1Very low250 Ų250145.3 Ų145.394%0.94374%0.735SS**  -174.3170.590.4-97-175.7174.5174-0.6112.2
190A34.8Very low38.7Very low98 Ų98145.3 Ų145.381%0.8174%0.735SS**  trans-122.9-166.7-169.400000113.5
191S37.3Very low38.5Very low105 Ų105142 Ų14273%0.73474%0.739SS**  trans88.8145.8-176.6-139.80000113.9
192V38.7Very low38.4Very low122 Ų122144.9 Ų144.974%0.73975%0.745SS**  cis-130.9139.43-179.70000108.1D194V192-D194 HydrophobicContact CG1-CB 4.41Å
193R36.4Very low38.6Very low214 Ų214142.5 Ų142.581%0.80875%0.747SS**  cis85.4642.2-160.7-114.5176.71800.8119.1
194D36Very low38.5Very low111 Ų111142 Ų14259%0.59476%0.756SS**  trans-173.5153159.6-106.4-166.7000110.7V192V192-D194 HydrophobicContact CG1-CB 4.41Å
195K37.3Very low38.8Very low165 Ų165139.4 Ų139.472%0.71776%0.76SS**  cis-161.1138.9-14.6-138169-147.3133.80110.7
196S47.2Very low39.4Very low117 Ų117144 Ų14482%0.81877%0.771SS**  trans-87.9140.2159.5-47.60000110.5
197P48.5Very low40.2Very low129 Ų129142.1 Ų142.184%0.83877%0.772SS**  trans-96.9138.7152.9-6.426.2000110.2
198A41.9Very low40.7Very low83 Ų83143.9 Ų143.969%0.68678%0.777SS**  trans-121.7178.9178.800000111.4
199K41.1Very low42Very low195 Ų195148.2 Ų148.285%0.84879%0.787SS**  trans89149.4176.2-52.5155.7-175.1172.90112.4
200K38.7Very low43Very low191 Ų191142.7 Ų142.783%0.8378%0.783SS**  cis-161.7161.716-141.7164.1-175.1-176.40111.1
201A37.7Very low43.5Very low96 Ų96141.8 Ų141.879%0.79378%0.784SS**  trans69.6155.2154.600000118.5
202K39.4Very low44.4Very low194 Ų194146.7 Ų146.784%0.84379%0.792SS**  cis-169.8132.6-15.6161.1-178.4173.8-171.50112.3
203A40.6Very low45.3Very low73 Ų73150.7 Ų150.760%0.60380%0.8SS**  trans66.9154.9150.200000123.9
204T41.4Very low46.2Very low142 Ų142153.3 Ų153.387%0.87182%0.817SS**  trans70.7139.8152.438.80000120.1
205A43Very low46.7Very low91 Ų91155.4 Ų155.475%0.75283%0.828SS**  cis-158.2163.7-8.100000113.5
206R46.2Very low47.2Very low240 Ų240154.9 Ų154.991%0.90683%0.834SS**  trans-80.4169.2154.3-112.3-173.4177-167.13.1109.1
207P54.2Low47.2Very low109 Ų109157 Ų15771%0.70884%0.835SS**  cis-110.4-151.926.7196.3000111
208K48.1Very low47.1Very low193 Ų193158.6 Ų158.684%0.83983%0.834SS**  cis-144.5174.112.4-60.3174-179.7178.80111
209K57.1Low47.5Very low194 Ų194163.4 Ų163.484%0.84384%0.844SS**  trans-113.1146.8148.2-69.1-175.7177.2-174.60108.1
210P58.2Low47.9Very low134 Ų134161.3 Ų161.387%0.8784%0.843SS**  trans-75.7134.9153.132.1-29.3000108.9
211G43.6Very low48.5Very low79 Ų79159.1 Ų159.181%0.81484%0.844SS**  trans-105.7133.2168.700000109.3
212F56.8Low49.4Very low208 Ų208164 Ų16491%0.91285%0.848SS**  trans-96.3127.8173.4-150.4-92000109.6
213K57.8Low50.2Low206 Ų206161.5 Ų161.590%0.89685%0.849SS**  trans-153108.2170.4-86.5-163.2175.1-1700109.5
214K55.6Low51.1Low269 Ų269169.5 Ų169.5100%1.1787%0.871SS**  -153.40107.7-138177-178.9-1770110

Retrieved 214 of 214 residues in 474.4 ms (Link to these results)

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