A0A060YLU5_ONCMY Loading...

Nucleoplasmin core domain-containing protein

AlphaFold DB , UniProt , Accession A0A060YLU5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110509616, Length 182 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
1M45.3Very low74.5Confident237 Ų237142.6 Ų142.6100%1.16770%0.704SS**  0115.40-76.5168.162.900106.8K3M1-K3 PolarHBondContact O-N 3.41Å
2H53.8Low76.4Confident189 Ų189134.4 Ų134.488%0.87566%0.66SS**  trans-67.8128.6172.7-62.3-89.6000108.5Q4H2-Q4 PolarHBondContact O-N 3.31Å
3K58.2Low78.1Confident153 Ų153127.4 Ų127.467%0.66564%0.643SS**  trans-77.8106.5172.1178.8-170171-145.70105.9M1 E5M1-K3 PolarHBondContact O-N 3.41Å; K3-E5 VanDerWaalsContact C-N 3.34Å; K3-E5 VanDerWaalsContact CD-OE1 3.26Å; K3-E5 WeakPolarHBondContact CD-OE1 3.28Å; K3-E5 VanDerWaalsContact CE-OE1 3.22Å; K3-E5 WeakPolarHBondContact CE-OE1 3.3Å; K3-E5 VanDerWaalsContact CE-OE2 3.24Å; K3-E5 WeakPolarHBondContact CE-OE2 3.25Å; K3-E5 IonicContact NZ-OE1 2.61Å; K3-E5 PolarHBondContact NZ-OE1 3.08Å; K3-E5 IonicContact NZ-OE2 2.84Å; K3-E5 PolarHBondContact NZ-OE2 3.11Å; K3-E5 PolarHBondContact O-N 2.86Å
4Q56.6Low79.5Confident185 Ų185119.4 Ų119.486%0.86460%0.604SS**  trans-69.595.7174.8-169.7175.720.800108.6H2H2-Q4 PolarHBondContact O-N 3.31Å
5E69.3Low80.8Confident79 Ų79116.2 Ų116.237%0.36959%0.586SS.*PPolyproline II helixtrans-59.2149.5169.8-59.9-65.817600109.4K3K3-E5 VanDerWaalsContact C-N 3.34Å; K3-E5 VanDerWaalsContact CD-OE1 3.26Å; K3-E5 WeakPolarHBondContact CD-OE1 3.28Å; K3-E5 VanDerWaalsContact CE-OE1 3.22Å; K3-E5 WeakPolarHBondContact CE-OE1 3.3Å; K3-E5 VanDerWaalsContact CE-OE2 3.24Å; K3-E5 WeakPolarHBondContact CE-OE2 3.25Å; K3-E5 IonicContact NZ-OE1 2.61Å; K3-E5 PolarHBondContact NZ-OE1 3.08Å; K3-E5 IonicContact NZ-OE2 2.84Å; K3-E5 PolarHBondContact NZ-OE2 3.11Å; K3-E5 PolarHBondContact O-N 2.86Å
6K77.6Confident81.9Confident184 Ų184108.9 Ų108.980%0.855%0.55SS*.PPolyproline II helixtrans-93.8135.4-179.7-71-175.9177.6-179.40109.5L8K6-L8 PolarHBondContact O-N 3.09Å
7P82.1Confident82.9Confident73 Ų73103.1 Ų103.147%0.47452%0.522SS..PPolyproline II helixtrans-52.4132.6171.316.1-27.8000111S9 I109 A110 L111P7-S9 PolarHBondContact O-N 3.08Å; P7-I109 HydrophobicContact CB-CG2 3.9Å; P7-A110 CarbonylContact C-O 3.39Å; P7-A110 VanDerWaalsContact CA-O 3.31Å; P7-A110 WeakPolarHBondContact CA-O 3.31Å; P7-L111 HydrophobicContact CB-CD2 3.62Å; P7-L111 HydrophobicContact CB-CG 4.13Å; P7-L111 HydrophobicContact CG-CD2 4.03Å
8L89.4Confident83.6Confident109 Ų109104.6 Ų104.657%0.57153%0.526SS*.EExtended strand (participates in β ladder)trans-74.2119.6165.2-59.9176.1000107K6 Y32 I109 A110K6-L8 PolarHBondContact O-N 3.09Å; L8-Y32 HydrophobicContact CD1-CE1 4.22Å; L8-I109 CarbonylContact O-C 3.59Å; L8-I109 WeakPolarHBondContact O-CA 3.32Å; L8-A110 HydrophobicContact CB-CB 4.37Å; L8-A110 PolarHBondContact N-O 2.97Å; L8-A110 PolarHBondContact O-N 2.92Å
9S94.1Very high84.3Confident68 Ų68105 Ų10548%0.47654%0.54SS..EExtended strand (participates in β ladder)trans-110.4128.1170.2-177.70000109.3P7 E107 H108P7-S9 PolarHBondContact O-N 3.08Å; S9-E107 PolarHBondContact OG-OE1 2.64Å; S9-E107 VanDerWaalsContact OG-OE1 3.09Å; S9-H108 WeakPolarHBondContact CA-O 3.44Å
10M95.4Very high85Confident136 Ų136103.9 Ų103.967%0.6753%0.531SS*.EExtended strand (participates in β ladder)trans-128.6139.4176-168.2176.6-63.600110W12 E107 H108M10-W12 PolarHBondContact O-N 3.31Å; M10-E107 CarbonylContact O-C 3.57Å; M10-E107 WeakPolarHBondContact O-CA 3.1Å; M10-H108 PolarHBondContact N-O 3.31Å; M10-H108 PolarHBondContact O-N 3.29Å
11L97.6Very high85.6Confident156 Ų156102.9 Ų102.982%0.81753%0.525SS*.EExtended strand (participates in β ladder)trans-62.3127.4174.6-68.5174.7000110.3E107L11-E107 HydrophobicContact CD2-CG 4.37Å
12W98Very high88Confident44 Ų4495.9 Ų95.917%0.16749%0.489CS..EExtended strand (participates in β ladder)trans-117.7148.3173.2-176.687000110.6M10 C14 E23 F25 L36 L38 F93 I104 C105 G106 H108M10-W12 PolarHBondContact O-N 3.31Å; W12-C14 HydrophobicContact CH2-CB 4.13Å; W12-C14 HydrophobicContact CZ2-CB 4.21Å; W12-E23 HydrophobicContact CZ2-CG 4.23Å; W12-F25 AromaticContact CD1-CD2 3.77Å; W12-F25 HydrophobicContact CG-CD2 4.45Å; W12-F25 HydrophobicContact CZ2-CB 4.02Å; W12-F25 AromaticContact NE1-CD2 3.52Å; W12-L36 HydrophobicContact CB-CD1 3.87Å; W12-L36 HydrophobicContact CD2-CD1 3.76Å; W12-L36 HydrophobicContact CD2-CD2 4.22Å; W12-L36 HydrophobicContact CE3-CD1 3.62Å; W12-L36 HydrophobicContact CE3-CD2 3.9Å; W12-L36 HydrophobicContact CE3-CG 4.37Å; W12-L36 HydrophobicContact CG-CD1 3.87Å; W12-L36 HydrophobicContact CH2-CD2 4.31Å; W12-L36 HydrophobicContact CZ3-CD1 4.45Å; W12-L36 HydrophobicContact CZ3-CD2 3.94Å; W12-L38 HydrophobicContact CZ3-CD2 4.41Å; W12-F93 AromaticContact CH2-CD2 3.75Å; W12-F93 HydrophobicContact CH2-CD2 3.75Å; W12-F93 AromaticContact CH2-CE2 3.59Å; W12-F93 HydrophobicContact CH2-CE2 3.59Å; W12-F93 HydrophobicContact CZ2-CE2 4.48Å; W12-F93 HydrophobicContact CZ3-CD2 4.41Å; W12-F93 AromaticContact CZ3-CE2 3.94Å; W12-F93 HydrophobicContact CZ3-CE2 3.94Å; W12-I104 HydrophobicContact CZ3-CB 4.34Å; W12-I104 HydrophobicContact CZ3-CG2 3.87Å; W12-C105 WeakPolarHBondContact O-CA 3.34Å; W12-G106 PolarHBondContact N-O 3.28Å; W12-G106 PolarHBondContact O-N 3.14Å; W12-H108 HydrophobicContact CB-CB 4.35Å
13G98.1Very high90.1Very high43 Ų4389.5 Ų89.544%0.44346%0.46SS..EExtended strand (participates in β ladder)trans-176.4163.9169.800000113I104G13-I104 CarbonylContact C-O 3.55Å; G13-I104 WeakPolarHBondContact CA-O 3.31Å
14C98.4Very high91.9Very high15 Ų1584.8 Ų84.810%0.10144%0.444CS..EExtended strand (participates in β ladder)trans-146.1169.8178.271.90000111.7W12 E23 Y103 I104W12-C14 HydrophobicContact CH2-CB 4.13Å; W12-C14 HydrophobicContact CZ2-CB 4.21Å; C14-E23 HydrophobicContact CB-CB 4.15Å; C14-E23 HydrophobicContact CB-CG 3.7Å; C14-Y103 WeakPolarHBondContact O-CA 3.33Å; C14-I104 PolarHBondContact N-O 3.31Å; C14-I104 PolarHBondContact O-N 2.82Å
15E98.5Very high93.8Very high72 Ų7276.5 Ų76.534%0.33641%0.405SS..EExtended strand (participates in β ladder)trans-112.9135.9167.1-170.4-171.8108.300108.9S17 P101 V102 Y103E15-S17 PolarHBondContact OE1-OG 3.41Å; E15-P101 HydrophobicContact CG-CB 3.72Å; E15-V102 CarbonylContact C-O 3.52Å; E15-V102 WeakPolarHBondContact CA-O 3.18Å; E15-Y103 HydrophobicContact CB-CD1 3.93Å; E15-Y103 HydrophobicContact CB-CE1 3.68Å; E15-Y103 HydrophobicContact CG-CD1 4.01Å; E15-Y103 HydrophobicContact CG-CE1 3.52Å; E15-Y103 WeakPolarHBondContact OE2-CE1 3.41Å; E15-Y103 VanDerWaalsContact OE2-CZ 3.23Å; E15-Y103 PolarHBondContact OE2-OH 2.89Å
16L98.7Very high95Very high0 Ų080.3 Ų80.30%042%0.421CS..EExtended strand (participates in β ladder)trans-112.2133.2164.9-55.5-178.9000110.3K20 E23 V54 F93 L95 P101 V102 I104L16-K20 CarbonylContact C-O 3.51Å; L16-K20 VanDerWaalsContact CA-O 3.26Å; L16-K20 WeakPolarHBondContact CA-O 3.48Å; L16-E23 HydrophobicContact CD2-CB 3.89Å; L16-V54 HydrophobicContact CD1-CG1 4.17Å; L16-F93 HydrophobicContact CD1-CB 3.99Å; L16-L95 HydrophobicContact CB-CB 4.02Å; L16-L95 HydrophobicContact CB-CD2 4.38Å; L16-L95 HydrophobicContact CD1-CB 4.23Å; L16-P101 CarbonylContact O-C 3.43Å; L16-P101 WeakPolarHBondContact O-CA 3.49Å; L16-V102 PolarHBondContact N-O 2.82Å; L16-V102 PolarHBondContact O-N 2.89Å; L16-I104 HydrophobicContact CD1-CD1 3.78Å; L16-I104 HydrophobicContact CG-CD1 4.15Å
17S98.1Very high95.7Very high10 Ų1073.7 Ų73.77%0.0740%0.396CS..BIsolated β-bridgetrans-159.7177.7-176.757.10000112.1E15 S19 K20 M21 A99E15-S17 PolarHBondContact OE1-OG 3.41Å; S17-S19 PolarHBondContact O-N 3.28Å; S17-S19 PolarHBondContact OG-OG 2.87Å; S17-K20 PolarHBondContact N-O 3.33Å; S17-K20 CarbonylContact O-C 3.53Å; S17-K20 PolarHBondContact O-N 2.87Å; S17-K20 VanDerWaalsContact O-O 3.1Å; S17-M21 WeakPolarHBondContact O-CG 3.17Å; S17-M21 PolarHBondContact O-N 2.81Å; S17-A99 CarbonylContact C-O 3.48Å; S17-A99 VanDerWaalsContact CA-O 3.25Å; S17-A99 WeakPolarHBondContact CA-O 3.34Å
18E96.3Very high95.9Very high129 Ų12977.9 Ų77.960%0.60341%0.414SS*.THydrogen-bonded Turntrans-53.1-25.4179-65.6179.9140.400114.3K48 A99E18-K48 IonicContact OE1-NZ 3.54Å; E18-K48 PolarHBondContact OE1-NZ 2.87Å; E18-K48 IonicContact OE2-NZ 2.66Å; E18-K48 PolarHBondContact OE2-NZ 2.89Å; E18-A99 VanDerWaalsContact CD-CB 3.43Å; E18-A99 HydrophobicContact CG-CB 3.56Å; E18-A99 PolarHBondContact N-O 2.78Å; E18-A99 WeakPolarHBondContact OE1-CB 3.43Å
19S96.8Very high95.4Very high113 Ų11375.8 Ų75.879%0.7940%0.403SS*.THydrogen-bonded Turntrans-92.5-15.2176.457.40000114.3S17S17-S19 PolarHBondContact O-N 3.28Å; S17-S19 PolarHBondContact OG-OG 2.87Å
20K97.8Very high94.7Very high83 Ų8378.4 Ų78.436%0.36142%0.417SS..BIsolated β-bridgetrans-147.884.6179.4-174.8176-176.8171.50109.5L16 S17 E22 E23L16-K20 CarbonylContact C-O 3.51Å; L16-K20 VanDerWaalsContact CA-O 3.26Å; L16-K20 WeakPolarHBondContact CA-O 3.48Å; S17-K20 PolarHBondContact N-O 3.33Å; S17-K20 CarbonylContact O-C 3.53Å; S17-K20 PolarHBondContact O-N 2.87Å; S17-K20 VanDerWaalsContact O-O 3.1Å; K20-E22 VanDerWaalsContact C-N 3.32Å; K20-E22 VanDerWaalsContact CE-O 3.26Å; K20-E22 WeakPolarHBondContact CE-O 3.26Å; K20-E22 WeakPolarHBondContact CG-O 3.21Å; K20-E23 WeakPolarHBondContact CE-OE2 3.4Å; K20-E23 IonicContact NZ-OE1 2.64Å; K20-E23 PolarHBondContact NZ-OE1 2.86Å; K20-E23 IonicContact NZ-OE2 2.72Å; K20-E23 PolarHBondContact NZ-OE2 2.84Å
21M97.3Very high94.2Very high83 Ų8377.1 Ų77.141%0.40941%0.413SS..  trans-80.3-12.7-176.6-54.1-157.185.200113.5S17 R94 L95S17-M21 WeakPolarHBondContact O-CG 3.17Å; S17-M21 PolarHBondContact O-N 2.81Å; M21-R94 CarbonylContact O-C 3.53Å; M21-R94 WeakPolarHBondContact O-CA 3.42Å; M21-L95 HydrophobicContact CE-CB 4.42Å; M21-L95 HydrophobicContact CE-CD2 4.22Å; M21-L95 HydrophobicContact CE-CG 4.27Å; M21-L95 WeakPolarHBondContact CE-O 3.26Å; M21-L95 PolarHBondContact O-N 3Å
22E96.8Very high93.8Very high89 Ų8972.7 Ų72.742%0.41639%0.386SS..EExtended strand (participates in β ladder)trans-133.4147.7179.4-63.4-173-172.800112.2K20 T92 F93 R94K20-E22 VanDerWaalsContact C-N 3.32Å; K20-E22 VanDerWaalsContact CE-O 3.26Å; K20-E22 WeakPolarHBondContact CE-O 3.26Å; K20-E22 WeakPolarHBondContact CG-O 3.21Å; E22-T92 HydrophobicContact CB-CG2 4.22Å; E22-F93 VanDerWaalsContact CA-O 3.29Å; E22-F93 WeakPolarHBondContact CA-O 3.01Å; E22-R94 HydrophobicContact CG-CB 3.97Å; E22-R94 HydrophobicContact CG-CG 3.82Å; E22-R94 WeakPolarHBondContact OE1-CD 3.36Å; E22-R94 IonicContact OE1-NH1 2.79Å
23E97.6Very high93.5Very high55 Ų5575.4 Ų75.426%0.25740%0.4SS..EExtended strand (participates in β ladder)trans-139.9132.8166.4-179.977.9111.700110W12 C14 L16 K20 T92 F93W12-E23 HydrophobicContact CZ2-CG 4.23Å; C14-E23 HydrophobicContact CB-CB 4.15Å; C14-E23 HydrophobicContact CB-CG 3.7Å; L16-E23 HydrophobicContact CD2-CB 3.89Å; K20-E23 WeakPolarHBondContact CE-OE2 3.4Å; K20-E23 IonicContact NZ-OE1 2.64Å; K20-E23 PolarHBondContact NZ-OE1 2.86Å; K20-E23 IonicContact NZ-OE2 2.72Å; K20-E23 PolarHBondContact NZ-OE2 2.84Å; E23-T92 CarbonylContact O-C 3.5Å; E23-T92 WeakPolarHBondContact O-CA 3.34Å; E23-F93 PolarHBondContact N-O 2.87Å; E23-F93 PolarHBondContact O-N 2.91Å
24T96.4Very high93.3Very high54 Ų5474.4 Ų74.433%0.33138%0.384SS..EExtended strand (participates in β ladder)trans-107.2118.3174.8-53.30000111.2K26 P90 V91 T92T24-K26 HydrophobicContact CG2-CB 4.37Å; T24-P90 HydrophobicContact CG2-CB 4.47Å; T24-V91 CarbonylContact C-O 3.6Å; T24-V91 WeakPolarHBondContact CA-O 3.49Å; T24-T92 WeakPolarHBondContact CG2-OG1 3.07Å; T24-T92 PolarHBondContact OG1-OG1 2.84Å
25F96.1Very high93.2Very high11 Ų1176 Ų765%0.04839%0.39CS..EExtended strand (participates in β ladder)trans-80.4124.3161.4175.7-106.2000109.4W12 T27 L36 P89 P90 V91 H108W12-F25 AromaticContact CD1-CD2 3.77Å; W12-F25 HydrophobicContact CG-CD2 4.45Å; W12-F25 HydrophobicContact CZ2-CB 4.02Å; W12-F25 AromaticContact NE1-CD2 3.52Å; F25-T27 HydrophobicContact CE1-CG2 4.32Å; F25-T27 HydrophobicContact CE2-CG2 4.33Å; F25-T27 HydrophobicContact CZ-CG2 3.76Å; F25-L36 HydrophobicContact CB-CD2 3.98Å; F25-L36 HydrophobicContact CD1-CB 3.8Å; F25-L36 HydrophobicContact CD1-CD2 3.95Å; F25-L36 HydrophobicContact CD1-CG 4.41Å; F25-L36 HydrophobicContact CE1-CB 3.82Å; F25-L36 HydrophobicContact CG-CD2 3.96Å; F25-P89 HydrophobicContact CD1-CB 3.92Å; F25-P89 HydrophobicContact CE1-CB 3.81Å; F25-P89 HydrophobicContact CE1-CG 3.99Å; F25-P90 WeakPolarHBondContact O-CA 3.37Å; F25-V91 HydrophobicContact CB-CG2 4Å; F25-V91 HydrophobicContact CD1-CG2 4.16Å; F25-V91 PolarHBondContact N-O 2.89Å; F25-V91 PolarHBondContact O-N 3.28Å; F25-H108 HydrophobicContact CE2-CB 4.26Å; F25-H108 AromaticContact CE2-CG 3.96Å; F25-H108 HydrophobicContact CZ-CB 4.27Å; F25-H108 AromaticContact CZ-CD2 3.53Å; F25-H108 AromaticContact CZ-CG 3.76Å; F25-H108 AromaticContact CZ-NE2 3.84Å
26K94.2Very high93.2Very high159 Ų15972.6 Ų72.669%0.69137%0.374SS*.  trans-147.9156.7179.861.4175.7-176.7174.70109.5T24 P90T24-K26 HydrophobicContact CG2-CB 4.37Å; K26-P90 HydrophobicContact CB-CB 4.39Å
27T91.4Very high93.1Very high46 Ų4672.6 Ų72.628%0.28237%0.374SS..  trans-131146.718048.70000109.4F25 H34 P89F25-T27 HydrophobicContact CE1-CG2 4.32Å; F25-T27 HydrophobicContact CE2-CG2 4.33Å; F25-T27 HydrophobicContact CZ-CG2 3.76Å; T27-H34 WeakPolarHBondContact CB-CD2 3.21Å; T27-H34 HydrophobicContact CG2-CB 4Å; T27-H34 PolarHBondContact OG1-CD2 2.87Å; T27-H34 VanDerWaalsContact OG1-CD2 3.28Å; T27-P89 HydrophobicContact CG2-CG 4.28Å; T27-P89 WeakPolarHBondContact OG1-CG 3.49Å
28D86.4Confident93.1Very high161 Ų16172.1 Ų72.186%0.86137%0.371SS*.  trans-114.7-12.9-177.755.4-24.1000113.6
29D80.3Confident93.2Very high64 Ų6470.3 Ų70.334%0.34236%0.358SS..  trans-74.7131.4169.7-159.3-28.6000110.7N31 Y32D29-N31 WeakPolarHBondContact OD1-CB 3.35Å; D29-N31 PolarHBondContact OD1-N 3.18Å; D29-N31 PolarHBondContact OD1-ND2 2.91Å; D29-Y32 WeakPolarHBondContact OD2-CD2 3.25Å
30T78.1Confident93.3Very high124 Ų12466.4 Ų66.476%0.76133%0.33SS*.SBendtrans-101.4-8179.457.50000113.2Y32T30-Y32 VanDerWaalsContact C-N 3.31Å
31N86Confident93.3Very high109 Ų10962.5 Ų62.558%0.58331%0.313SS*.SBendtrans-88.9-2.2-176.7-48.9-80.5000112.4D29 D113D29-N31 WeakPolarHBondContact OD1-CB 3.35Å; D29-N31 PolarHBondContact OD1-N 3.18Å; D29-N31 PolarHBondContact OD1-ND2 2.91Å; N31-D113 PolarHBondContact O-N 2.84Å
32Y89.1Confident93.4Very high62 Ų6259.8 Ų59.824%0.24330%0.302CS..EExtended strand (participates in β ladder)trans-127.5136.6-177.2-70-102.1000111.7L8 D29 T30 H34 A110 L111 E112L8-Y32 HydrophobicContact CD1-CE1 4.22Å; D29-Y32 WeakPolarHBondContact OD2-CD2 3.25Å; T30-Y32 VanDerWaalsContact C-N 3.31Å; Y32-H34 PolarHBondContact O-N 3.01Å; Y32-A110 HydrophobicContact CD1-CB 3.78Å; Y32-A110 HydrophobicContact CE1-CB 4.48Å; Y32-A110 HydrophobicContact CG-CB 4.3Å; Y32-L111 CarbonylContact C-O 3.54Å; Y32-L111 WeakPolarHBondContact CA-O 3.22Å; Y32-L111 WeakPolarHBondContact CB-O 3.47Å; Y32-L111 WeakPolarHBondContact CD1-O 3.41Å; Y32-E112 HydrophobicContact CD1-CG 4.01Å; Y32-E112 HydrophobicContact CE1-CB 4.45Å; Y32-E112 HydrophobicContact CE1-CG 3.44Å; Y32-E112 VanDerWaalsContact CE1-CG 3.44Å
33Q91.4Very high93.5Very high102 Ų10256.7 Ų56.748%0.47729%0.288SS..EExtended strand (participates in β ladder)trans-75.5120.3161.9-59.2-171.814.700108.6L111 D113Q33-L111 HydrophobicContact CB-CB 4.44Å; Q33-L111 PolarHBondContact N-O 2.78Å; Q33-L111 PolarHBondContact O-N 2.96Å; Q33-D113 PolarHBondContact NE2-OD1 2.95Å
34H94.2Very high93.5Very high22 Ų2254.6 Ų54.610%0.10228%0.281CS..EExtended strand (participates in β ladder)trans-110.3139.4-174.2-71.6-55000112.9T27 Y32 P89 H108 I109 A110T27-H34 WeakPolarHBondContact CB-CD2 3.21Å; T27-H34 HydrophobicContact CG2-CB 4Å; T27-H34 PolarHBondContact OG1-CD2 2.87Å; T27-H34 VanDerWaalsContact OG1-CD2 3.28Å; Y32-H34 PolarHBondContact O-N 3.01Å; H34-P89 HydrophobicContact CB-CG 3.85Å; H34-P89 WeakPolarHBondContact O-CD 3.24Å; H34-H108 AromaticContact CE1-NE2 3.67Å; H34-H108 AromaticContact CG-NE2 3.8Å; H34-H108 AromaticContact ND1-NE2 3.14Å; H34-H108 PolarHBondContact ND1-NE2 3.44Å; H34-H108 VanDerWaalsContact ND1-NE2 3.14Å; H34-I109 WeakPolarHBondContact CA-O 3.26Å; H34-A110 VanDerWaalsContact ND1-CB 3.34Å; H34-A110 WeakPolarHBondContact ND1-CB 3.24Å
35Q96.3Very high93.4Very high48 Ų4857.9 Ų57.922%0.22431%0.314CS..EExtended strand (participates in β ladder)trans-138149.9175.3-68.8177.7-18.300111.2L87 H88 H108 I109Q35-L87 CarbonylContact C-O 3.52Å; Q35-L87 WeakPolarHBondContact CA-O 3.37Å; Q35-H88 PolarHBondContact NE2-NE2 3.09Å; Q35-H108 WeakPolarHBondContact O-CA 3.41Å; Q35-I109 HydrophobicContact CB-CB 4.38Å; Q35-I109 PolarHBondContact N-O 2.99Å; Q35-I109 PolarHBondContact O-N 3.28Å
36L97.6Very high93.2Very high0 Ų060.4 Ų60.40%034%0.343CS..EExtended strand (participates in β ladder)trans-113.6106.1167.9176.362.2000108.6W12 F25 L38 L87 V91 F93 E107W12-L36 HydrophobicContact CB-CD1 3.87Å; W12-L36 HydrophobicContact CD2-CD1 3.76Å; W12-L36 HydrophobicContact CD2-CD2 4.22Å; W12-L36 HydrophobicContact CE3-CD1 3.62Å; W12-L36 HydrophobicContact CE3-CD2 3.9Å; W12-L36 HydrophobicContact CE3-CG 4.37Å; W12-L36 HydrophobicContact CG-CD1 3.87Å; W12-L36 HydrophobicContact CH2-CD2 4.31Å; W12-L36 HydrophobicContact CZ3-CD1 4.45Å; W12-L36 HydrophobicContact CZ3-CD2 3.94Å; F25-L36 HydrophobicContact CB-CD2 3.98Å; F25-L36 HydrophobicContact CD1-CB 3.8Å; F25-L36 HydrophobicContact CD1-CD2 3.95Å; F25-L36 HydrophobicContact CD1-CG 4.41Å; F25-L36 HydrophobicContact CE1-CB 3.82Å; F25-L36 HydrophobicContact CG-CD2 3.96Å; L36-L38 HydrophobicContact CD2-CD2 4.08Å; L36-L38 HydrophobicContact CG-CD2 4.08Å; L36-L87 HydrophobicContact CB-CB 4.41Å; L36-L87 PolarHBondContact N-O 2.69Å; L36-L87 PolarHBondContact O-N 3.08Å; L36-V91 HydrophobicContact CD2-CG2 4.12Å; L36-F93 HydrophobicContact CD2-CE2 3.77Å; L36-F93 HydrophobicContact CD2-CZ 3.91Å; L36-E107 WeakPolarHBondContact CA-O 3.49Å
37A97.7Very high93.3Very high1 Ų153.8 Ų53.81%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-89.1107.4175.500000109.3E86 G106 E107 I109A37-E86 HydrophobicContact CB-CG 4.02Å; A37-G106 CarbonylContact O-C 3.54Å; A37-G106 WeakPolarHBondContact O-CA 3.29Å; A37-E107 PolarHBondContact N-O 2.72Å; A37-E107 PolarHBondContact O-N 2.96Å; A37-I109 HydrophobicContact CB-CD1 3.98Å
38L98.3Very high93.5Very high0 Ų056 Ų560%032%0.324CS..EExtended strand (participates in β ladder)trans-73.1149.7-179.4-66.9178.8000111.9W12 L36 L82 S83 L85 L87 F93 I104W12-L38 HydrophobicContact CZ3-CD2 4.41Å; L36-L38 HydrophobicContact CD2-CD2 4.08Å; L36-L38 HydrophobicContact CG-CD2 4.08Å; L38-L82 HydrophobicContact CB-CB 3.9Å; L38-L82 HydrophobicContact CB-CD1 4.48Å; L38-L82 HydrophobicContact CD1-CD1 4.06Å; L38-L82 CarbonylContact O-C 3.6Å; L38-S83 WeakPolarHBondContact O-CA 3.26Å; L38-L85 HydrophobicContact CD1-CD2 4.03Å; L38-L85 HydrophobicContact CD1-CG 4.33Å; L38-L85 PolarHBondContact N-O 3.46Å; L38-L87 HydrophobicContact CD1-CD1 3.78Å; L38-L87 HydrophobicContact CG-CD1 4.21Å; L38-F93 HydrophobicContact CD1-CE1 3.74Å; L38-F93 HydrophobicContact CD1-CZ 3.87Å; L38-F93 HydrophobicContact CD2-CE1 4.41Å; L38-F93 HydrophobicContact CD2-CZ 3.89Å; L38-F93 HydrophobicContact CG-CZ 4.37Å; L38-I104 HydrophobicContact CD2-CG2 3.99Å
39R98.3Very high93.9Very high90 Ų9051.5 Ų51.534%0.3432%0.315SS..EExtended strand (participates in β ladder)trans-119.9-58.7-179.6-64-61.8-179.2-147.2-2.2111.7N81 L82 C105 E107R39-N81 PolarHBondContact O-OD1 2.84Å; R39-L82 PolarHBondContact O-N 3Å; R39-C105 PolarHBondContact N-O 2.75Å; R39-E107 IonicContact CZ-OE2 3.29Å; R39-E107 IonicContact NE-OE2 3.16Å; R39-E107 PolarHBondContact NE-OE2 3.29Å; R39-E107 IonicContact NH2-OE2 2.69Å; R39-E107 PolarHBondContact NH2-OE2 2.9Å
40T98.4Very high94.7Very high32 Ų3251.6 Ų51.620%0.19631%0.314CS..EExtended strand (participates in β ladder)trans-145.3163.4173.969.30000112.8M79 V80 C105T40-M79 HydrophobicContact CG2-SD 4.29Å; T40-V80 VanDerWaalsContact CA-O 3.24Å; T40-V80 WeakPolarHBondContact CA-O 3.39Å; T40-V80 VanDerWaalsContact CB-O 3.25Å; T40-V80 WeakPolarHBondContact CB-O 3.43Å; T40-C105 PolarHBondContact N-O 2.94Å; T40-C105 PolarHBondContact O-N 2.79Å; T40-C105 PolarHBondContact OG1-SG 3.47Å
41M98.6Very high95.6Very high0 Ų051.5 Ų51.50%030%0.303CS..EExtended strand (participates in β ladder)trans-122.4141.6154.7-62.9-177.4-177.700109V54 V69 A70 L72 M79 V80 L82 F93 V102 Y103 I104M41-V54 HydrophobicContact CE-CG1 3.96Å; M41-V54 HydrophobicContact SD-CB 4Å; M41-V54 HydrophobicContact SD-CG1 3.97Å; M41-V54 HydrophobicContact SD-CG2 4.14Å; M41-V69 HydrophobicContact CE-CG2 3.8Å; M41-V69 HydrophobicContact SD-CG2 4.49Å; M41-A70 HydrophobicContact SD-CB 3.63Å; M41-L72 HydrophobicContact CB-CD1 4.25Å; M41-M79 CarbonylContact O-C 3.57Å; M41-M79 VanDerWaalsContact O-CA 3.28Å; M41-M79 WeakPolarHBondContact O-CA 3.42Å; M41-V80 HydrophobicContact CB-CG2 3.94Å; M41-V80 PolarHBondContact N-O 2.89Å; M41-V80 PolarHBondContact O-N 3.38Å; M41-L82 HydrophobicContact CE-CD1 3.65Å; M41-L82 HydrophobicContact CG-CD1 3.69Å; M41-L82 HydrophobicContact SD-CD1 3.95Å; M41-F93 HydrophobicContact CE-CD1 3.82Å; M41-F93 HydrophobicContact CE-CE1 3.99Å; M41-V102 HydrophobicContact CB-CG1 4.45Å; M41-Y103 CarbonylContact C-O 3.55Å; M41-Y103 WeakPolarHBondContact CA-O 3.43Å; M41-I104 HydrophobicContact CE-CD1 3.87Å; M41-I104 HydrophobicContact CE-CG1 4.11Å; M41-I104 HydrophobicContact CE-CG2 3.86Å; M41-I104 HydrophobicContact CG-CB 4.28Å; M41-I104 HydrophobicContact CG-CG1 3.97Å; M41-I104 HydrophobicContact CG-CG2 4Å; M41-I104 HydrophobicContact SD-CD1 4.34Å; M41-I104 HydrophobicContact SD-CG1 4.17Å
42C98.5Very high96.2Very high27 Ų2746.3 Ų46.318%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-147.3157.5177.563.90000113.7P78 M79 V102 Y103C42-P78 CarbonylContact C-O 3.53Å; C42-P78 VanDerWaalsContact CA-O 3.31Å; C42-P78 WeakPolarHBondContact CA-O 3.12Å; C42-M79 HydrophobicContact CB-CB 3.9Å; C42-M79 HydrophobicContact CB-CE 3.68Å; C42-M79 HydrophobicContact CB-CG 3.98Å; C42-V102 CarbonylContact O-C 3.56Å; C42-V102 WeakPolarHBondContact O-CA 3.44Å; C42-Y103 PolarHBondContact N-O 2.77Å; C42-Y103 PolarHBondContact O-N 2.92Å
43L98.6Very high96.7Very high24 Ų2445.4 Ų45.413%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-78.6133.3172.3-62.9-179.4000110.7A47 N52 L72 A74 P78 V102L43-A47 HydrophobicContact CB-CB 3.91Å; L43-A47 HydrophobicContact CD1-CB 4.31Å; L43-A47 HydrophobicContact CD2-CB 4.12Å; L43-A47 HydrophobicContact CG-CB 4.33Å; L43-N52 HydrophobicContact CD2-CB 3.86Å; L43-L72 HydrophobicContact CD1-CB 4.23Å; L43-L72 HydrophobicContact CD2-CB 3.77Å; L43-L72 HydrophobicContact CD2-CD1 4.03Å; L43-L72 HydrophobicContact CG-CB 3.89Å; L43-L72 HydrophobicContact CG-CD1 4.33Å; L43-A74 HydrophobicContact CD1-CB 4.12Å; L43-P78 PolarHBondContact N-O 2.9Å; L43-V102 HydrophobicContact CD2-CG2 4.05Å
44G97.9Very high97Very high10 Ų1040.6 Ų40.610%0.10325%0.252CS..  trans-72.9161.5166.800000112.5G46 A47 P101G44-G46 PolarHBondContact O-N 2.99Å; G44-A47 VanDerWaalsContact O-CB 3.29Å; G44-A47 WeakPolarHBondContact O-CB 3.37Å; G44-A47 PolarHBondContact O-N 2.96Å; G44-P101 PolarHBondContact N-O 3.28Å
45A94.4Very high97.2Very high123 Ų12341.3 Ų41.3100%1.01726%0.255SS*.THydrogen-bonded Turntrans-63.2-15.6-17300000115.2
46G91.8Very high97.2Very high64 Ų6439.6 Ų39.666%0.6625%0.248SC*.THydrogen-bonded Turntrans-89.4-1174.700000115.1G44G44-G46 PolarHBondContact O-N 2.99Å
47A95.8Very high97.1Very high21 Ų2139.8 Ų39.817%0.17425%0.249CC..  trans-66.7136.5-173.600000112.9L43 G44 G100L43-A47 HydrophobicContact CB-CB 3.91Å; L43-A47 HydrophobicContact CD1-CB 4.31Å; L43-A47 HydrophobicContact CD2-CB 4.12Å; L43-A47 HydrophobicContact CG-CB 4.33Å; G44-A47 VanDerWaalsContact O-CB 3.29Å; G44-A47 WeakPolarHBondContact O-CB 3.37Å; G44-A47 PolarHBondContact O-N 2.96Å; A47-G100 WeakPolarHBondContact CA-O 3.43Å
48K95.2Very high96.7Very high91 Ų9144.1 Ų44.140%0.39628%0.275SS..  trans-69.7159.3179.5-56.1173.2-162.4166.30110.4E18 E50 A99E18-K48 IonicContact OE1-NZ 3.54Å; E18-K48 PolarHBondContact OE1-NZ 2.87Å; E18-K48 IonicContact OE2-NZ 2.66Å; E18-K48 PolarHBondContact OE2-NZ 2.89Å; K48-E50 HydrophobicContact CB-CG 4.04Å; K48-E50 PolarHBondContact O-N 3.27Å; K48-A99 HydrophobicContact CD-CB 3.7Å; K48-A99 HydrophobicContact CG-CB 4.34Å
49G95.1Very high95.9Very high67 Ų6745.6 Ų45.669%0.69129%0.29SS*.SBendtrans-74.850.9177.600000113.8H73G49-H73 PolarHBondContact O-NE2 2.88Å
50E97.1Very high94.5Very high67 Ų6749.2 Ų49.231%0.31331%0.311SS..SBendtrans-132.4167-17471.5-164.616800111.5K48 N52 H73 A99K48-E50 HydrophobicContact CB-CG 4.04Å; K48-E50 PolarHBondContact O-N 3.27Å; E50-N52 PolarHBondContact O-N 2.99Å; E50-N52 PolarHBondContact O-ND2 3.03Å; E50-H73 PolarHBondContact O-CD2 3.35Å; E50-A99 WeakPolarHBondContact OE1-CB 3.31Å; E50-A99 PolarHBondContact OE1-N 3.03Å
51F98.1Very high92.7Very high122 Ų12251 Ų5154%0.53532%0.323SS..  trans-76.4123.5175.8-71.6-72000110.5T71 L72 H73 S97 G98F51-T71 HydrophobicContact CD1-CG2 3.84Å; F51-T71 HydrophobicContact CE1-CG2 4.49Å; F51-L72 WeakPolarHBondContact CA-O 3.41Å; F51-H73 HydrophobicContact CD1-CB 3.92Å; F51-H73 AromaticContact CD1-CD2 3.99Å; F51-H73 HydrophobicContact CE1-CB 3.9Å; F51-S97 CarbonylContact O-C 3.57Å; F51-G98 WeakPolarHBondContact O-CA 3.38Å; F51-G98 PolarHBondContact O-N 2.92Å
52N98.6Very high91Very high0 Ų058.7 Ų58.70%036%0.364CS..EExtended strand (participates in β ladder)trans-106113.5175.5-71.3-100.8000107.9L43 E50 L72 L95 S97 A99 G100 V102L43-N52 HydrophobicContact CD2-CB 3.86Å; E50-N52 PolarHBondContact O-N 2.99Å; E50-N52 PolarHBondContact O-ND2 3.03Å; N52-L72 HydrophobicContact CB-CB 4.25Å; N52-L72 PolarHBondContact N-O 2.97Å; N52-L72 PolarHBondContact O-N 2.79Å; N52-L95 HydrophobicContact CB-CD1 4.3Å; N52-S97 CarbonylContact C-O 3.58Å; N52-S97 VanDerWaalsContact CA-O 3.26Å; N52-S97 WeakPolarHBondContact CA-O 3.22Å; N52-A99 PolarHBondContact OD1-N 2.88Å; N52-G100 WeakPolarHBondContact OD1-CA 3.32Å; N52-G100 PolarHBondContact OD1-N 2.82Å; N52-V102 HydrophobicContact CB-CG2 3.92Å
53I98.4Very high89.1Confident43 Ų4365.2 Ų65.222%0.22140%0.397CS..EExtended strand (participates in β ladder)trans-112.9123.4-171-59.3178.9000108.9T68 A70 T71 L95 T96 S97I53-T68 HydrophobicContact CG2-CG2 3.66Å; I53-A70 WeakPolarHBondContact CA-O 3.43Å; I53-T71 HydrophobicContact CG1-CG2 4.24Å; I53-L95 CarbonylContact O-C 3.02Å; I53-L95 WeakPolarHBondContact O-CA 3.22Å; I53-T96 PolarHBondContact O-N 2.82Å; I53-S97 PolarHBondContact N-O 2.82Å
54V98.5Very high87.5Confident0 Ų065.2 Ų65.20%040%0.403CS..EExtended strand (participates in β ladder)trans-110.4123.6178.2-174.90000110.1L16 M41 V69 A70 F93 R94 L95 V102 I104L16-V54 HydrophobicContact CD1-CG1 4.17Å; M41-V54 HydrophobicContact CE-CG1 3.96Å; M41-V54 HydrophobicContact SD-CB 4Å; M41-V54 HydrophobicContact SD-CG1 3.97Å; M41-V54 HydrophobicContact SD-CG2 4.14Å; V54-V69 HydrophobicContact CB-CG2 4.47Å; V54-V69 HydrophobicContact CG1-CG2 4.19Å; V54-V69 WeakPolarHBondContact O-CG2 3.49Å; V54-V69 PolarHBondContact O-N 2.95Å; V54-A70 HydrophobicContact CB-CB 4.3Å; V54-A70 PolarHBondContact N-O 3.29Å; V54-A70 PolarHBondContact O-N 2.76Å; V54-F93 HydrophobicContact CG1-CB 4.37Å; V54-R94 CarbonylContact C-O 3.58Å; V54-R94 VanDerWaalsContact CA-O 3.31Å; V54-R94 WeakPolarHBondContact CA-O 3.25Å; V54-L95 HydrophobicContact CG2-CD1 4.28Å; V54-V102 HydrophobicContact CG2-CG1 4.04Å; V54-I104 HydrophobicContact CG1-CD1 4.29Å
55E97.4Very high86.9Confident37 Ų3774.3 Ų74.317%0.17344%0.44CS..EExtended strand (participates in β ladder)trans-92.8147.8165.6-72.1-178.4177.200111.4I67 F93 R94 T96E55-I67 CarbonylContact C-O 3.54Å; E55-I67 VanDerWaalsContact CA-O 3.31Å; E55-I67 WeakPolarHBondContact CA-O 3.32Å; E55-F93 WeakPolarHBondContact O-CA 3.36Å; E55-R94 HydrophobicContact CB-CB 4.45Å; E55-R94 PolarHBondContact N-O 3.42Å; E55-R94 PolarHBondContact O-N 3.04Å; E55-R94 IonicContact OE2-CZ 2.95Å; E55-R94 IonicContact OE2-NE 2.76Å; E55-R94 PolarHBondContact OE2-NE 2.99Å; E55-R94 IonicContact OE2-NH2 3.46Å; E55-R94 PolarHBondContact OE2-NH2 2.78Å; E55-T96 HydrophobicContact CB-CG2 4.31Å; E55-T96 VanDerWaalsContact CD-CG2 3.42Å; E55-T96 HydrophobicContact CG-CG2 3.82Å; E55-T96 WeakPolarHBondContact OE2-CG2 3.38Å
56L96.8Very high86.8Confident13 Ų1368.9 Ų68.97%0.06840%0.396CS..EExtended strand (participates in β ladder)trans-104.9136.8163.6169.565.4000109.1T58 G66 I67 V69 L87 V91 F93L56-T58 HydrophobicContact CD1-CG2 4.44Å; L56-T58 HydrophobicContact CD2-CG2 4.29Å; L56-T58 HydrophobicContact CG-CG2 4.22Å; L56-G66 CarbonylContact O-C 3.57Å; L56-G66 VanDerWaalsContact O-CA 3.32Å; L56-G66 WeakPolarHBondContact O-CA 3.31Å; L56-I67 PolarHBondContact N-O 2.66Å; L56-I67 PolarHBondContact O-N 2.82Å; L56-V69 HydrophobicContact CB-CB 4.43Å; L56-V69 HydrophobicContact CB-CG1 3.55Å; L56-V69 HydrophobicContact CB-CG2 3.97Å; L56-V69 HydrophobicContact CD2-CG1 4.07Å; L56-V69 HydrophobicContact CG-CG1 4.48Å; L56-L87 HydrophobicContact CD1-CD1 3.82Å; L56-L87 HydrophobicContact CD2-CD1 3.88Å; L56-L87 HydrophobicContact CD2-CD2 3.65Å; L56-L87 HydrophobicContact CD2-CG 4.45Å; L56-V91 HydrophobicContact CD1-CB 3.89Å; L56-V91 HydrophobicContact CD1-CG1 4.21Å; L56-F93 HydrophobicContact CD1-CD1 4.23Å; L56-F93 HydrophobicContact CD1-CE1 3.81Å; L56-F93 HydrophobicContact CD1-CZ 4.21Å
57I95Very high86.9Confident4 Ų471.5 Ų71.52%0.02139%0.394CS..EExtended strand (participates in β ladder)trans-121.9132.5171.3-43.3173000107.5V91 T92I57-V91 CarbonylContact O-C 3.57Å; I57-V91 VanDerWaalsContact O-CA 3.32Å; I57-V91 WeakPolarHBondContact O-CA 3.37Å; I57-T92 HydrophobicContact CD1-CG2 4.44Å; I57-T92 PolarHBondContact N-O 2.84Å; I57-T92 PolarHBondContact O-N 2.89Å
58T89.8Confident87Confident91 Ų9174.3 Ų74.356%0.55841%0.409SS*.EExtended strand (participates in β ladder)trans-115.8133-18055.10000110.3L56 V91L56-T58 HydrophobicContact CD1-CG2 4.44Å; L56-T58 HydrophobicContact CD2-CG2 4.29Å; L56-T58 HydrophobicContact CG-CG2 4.22Å; T58-V91 HydrophobicContact CG2-CG1 4.01Å
59G81.1Confident87.1Confident31 Ų3171.5 Ų71.532%0.3240%0.399SS..SBendtrans88.6-159.9-172.600000112.2P90G59-P90 PolarHBondContact N-O 2.87Å
60E70.3Confident87.2Confident166 Ų16668.5 Ų68.578%0.77637%0.368SS*.  trans-69.8135.5-174.8-62.8-168.2152.200112.3D62E60-D62 VanDerWaalsContact C-N 3.29Å; E60-D62 PolarHBondContact O-N 2.8Å
61P60.8Low87.3Confident69 Ų6968.1 Ų68.145%0.44837%0.37SS..G310 helixtrans-70.7-21.6-169.127.3-35.5000114.2N63P61-N63 PolarHBondContact O-N 3.35Å; P61-N63 VanDerWaalsContact O-N 3.08Å
62D62.5Low87.3Confident162 Ų16262.3 Ų62.387%0.86635%0.345SS*.G310 helixtrans-69.6-10.3-164.4-126.329.8000115E60E60-D62 VanDerWaalsContact C-N 3.29Å; E60-D62 PolarHBondContact O-N 2.8Å
63N58Low87.3Confident165 Ų16564 Ų6488%0.88235%0.352SS*.G310 helixtrans-149.715.3177.6-152.613.5000114.4P61P61-N63 PolarHBondContact O-N 3.35Å; P61-N63 VanDerWaalsContact O-N 3.08Å
64G66.1Low87.1Confident24 Ų2464.3 Ų64.325%0.24736%0.362CS..  trans-81.4117.7-173.700000113.7G66G64-G66 PolarHBondContact O-N 2.86Å
65K84.4Confident86.9Confident200 Ų20069.4 Ų69.487%0.8740%0.397SS*.  trans-71.1112.6165.6-176.2-172.5173.8-172.40109.2
66G91.4Very high86.7Confident10 Ų1070.6 Ų70.610%0.10342%0.42CS..  trans-64.3153.5177.900000113.8L56 G64L56-G66 CarbonylContact O-C 3.57Å; L56-G66 VanDerWaalsContact O-CA 3.32Å; L56-G66 WeakPolarHBondContact O-CA 3.31Å; G64-G66 PolarHBondContact O-N 2.86Å
67I95.1Very high86.7Confident118 Ų11874.7 Ų74.761%0.60544%0.44SS*.EExtended strand (participates in β ladder)trans-110.3125.2171.1-60.6170.2000107.6E55 L56 V69E55-I67 CarbonylContact C-O 3.54Å; E55-I67 VanDerWaalsContact CA-O 3.31Å; E55-I67 WeakPolarHBondContact CA-O 3.32Å; L56-I67 PolarHBondContact N-O 2.66Å; L56-I67 PolarHBondContact O-N 2.82Å; I67-V69 PolarHBondContact O-N 3.24Å
68T97.4Very high86.8Confident80 Ų8077.7 Ų77.749%0.49146%0.459SS..EExtended strand (participates in β ladder)trans-62.9117.6174.3-500000110.3I53I53-T68 HydrophobicContact CG2-CG2 3.66Å
69V97.4Very high87.2Confident33 Ų3378.4 Ų78.420%0.246%0.458CS..EExtended strand (participates in β ladder)trans-106.8-21.1178.9-710000113.2M41 V54 L56 I67 L85M41-V69 HydrophobicContact CE-CG2 3.8Å; M41-V69 HydrophobicContact SD-CG2 4.49Å; V54-V69 HydrophobicContact CB-CG2 4.47Å; V54-V69 HydrophobicContact CG1-CG2 4.19Å; V54-V69 WeakPolarHBondContact O-CG2 3.49Å; V54-V69 PolarHBondContact O-N 2.95Å; L56-V69 HydrophobicContact CB-CB 4.43Å; L56-V69 HydrophobicContact CB-CG1 3.55Å; L56-V69 HydrophobicContact CB-CG2 3.97Å; L56-V69 HydrophobicContact CD2-CG1 4.07Å; L56-V69 HydrophobicContact CG-CG1 4.48Å; I67-V69 PolarHBondContact O-N 3.24Å; V69-L85 HydrophobicContact CG1-CD2 4.39Å
70A98Very high88Confident4 Ų478.2 Ų78.23%0.03345%0.45CS..EExtended strand (participates in β ladder)trans-146.6145.4173.400000112.5M41 I53 V54 L72 V80M41-A70 HydrophobicContact SD-CB 3.63Å; I53-A70 WeakPolarHBondContact CA-O 3.43Å; V54-A70 HydrophobicContact CB-CB 4.3Å; V54-A70 PolarHBondContact N-O 3.29Å; V54-A70 PolarHBondContact O-N 2.76Å; A70-L72 HydrophobicContact CB-CG 4.5Å; A70-V80 HydrophobicContact CB-CG2 3.84Å
71T98.3Very high89.3Confident59 Ų5975.8 Ų75.836%0.36244%0.443SS..EExtended strand (participates in β ladder)trans-130.4107.6166.2-640000107.5F51 I53F51-T71 HydrophobicContact CD1-CG2 3.84Å; F51-T71 HydrophobicContact CE1-CG2 4.49Å; I53-T71 HydrophobicContact CG1-CG2 4.24Å
72L98.6Very high91.1Very high0 Ų073.7 Ų73.70%043%0.428CS..EExtended strand (participates in β ladder)trans-106.7146.8-174.2-65.1168.8000111.1M41 L43 F51 N52 A70 M77 V80 V102M41-L72 HydrophobicContact CB-CD1 4.25Å; L43-L72 HydrophobicContact CD1-CB 4.23Å; L43-L72 HydrophobicContact CD2-CB 3.77Å; L43-L72 HydrophobicContact CD2-CD1 4.03Å; L43-L72 HydrophobicContact CG-CB 3.89Å; L43-L72 HydrophobicContact CG-CD1 4.33Å; F51-L72 WeakPolarHBondContact CA-O 3.41Å; N52-L72 HydrophobicContact CB-CB 4.25Å; N52-L72 PolarHBondContact N-O 2.97Å; N52-L72 PolarHBondContact O-N 2.79Å; A70-L72 HydrophobicContact CB-CG 4.5Å; L72-M77 CarbonylContact C-O 3.54Å; L72-M77 VanDerWaalsContact CA-O 3.25Å; L72-M77 WeakPolarHBondContact CA-O 3.11Å; L72-M77 VanDerWaalsContact CD2-O 3.3Å; L72-M77 WeakPolarHBondContact CD2-O 3.44Å; L72-V80 HydrophobicContact CD2-CG1 4.02Å; L72-V80 HydrophobicContact CD2-CG2 4.28Å; L72-V102 HydrophobicContact CD1-CG1 3.62Å; L72-V102 HydrophobicContact CD1-CG2 4.4Å
73H98Very high92.7Very high34 Ų3469 Ų6916%0.15741%0.408CS..BIsolated β-bridgetrans-152129.9175-171.1-85.6000111.4G49 E50 F51 S75 G76 M77G49-H73 PolarHBondContact O-NE2 2.88Å; E50-H73 PolarHBondContact O-CD2 3.35Å; F51-H73 HydrophobicContact CD1-CB 3.92Å; F51-H73 AromaticContact CD1-CD2 3.99Å; F51-H73 HydrophobicContact CE1-CB 3.9Å; H73-S75 VanDerWaalsContact C-N 3.28Å; H73-S75 PolarHBondContact CE1-OG 2.97Å; H73-S75 PolarHBondContact ND1-N 2.99Å; H73-S75 PolarHBondContact ND1-OG 2.94Å; H73-S75 VanDerWaalsContact ND1-OG 3.08Å; H73-S75 PolarHBondContact O-N 3.24Å; H73-S75 VanDerWaalsContact O-N 3.11Å; H73-G76 PolarHBondContact O-N 2.85Å; H73-G76 VanDerWaalsContact O-N 3.08Å; H73-M77 PolarHBondContact N-O 2.66Å; H73-M77 CarbonylContact O-C 3.17Å; H73-M77 PolarHBondContact O-N 2.83Å
74A95.3Very high94.3Very high50 Ų5064.3 Ų64.341%0.41340%0.398SS..THydrogen-bonded Turntrans-55.4-35.5-17000000115L43L43-A74 HydrophobicContact CD1-CB 4.12Å
75S93.6Very high95.7Very high107 Ų10765.8 Ų65.875%0.74840%0.4SS*.THydrogen-bonded Turntrans-96.74.5-178.768.10000115.8H73H73-S75 VanDerWaalsContact C-N 3.28Å; H73-S75 PolarHBondContact CE1-OG 2.97Å; H73-S75 PolarHBondContact ND1-N 2.99Å; H73-S75 PolarHBondContact ND1-OG 2.94Å; H73-S75 VanDerWaalsContact ND1-OG 3.08Å; H73-S75 PolarHBondContact O-N 3.24Å; H73-S75 VanDerWaalsContact O-N 3.11Å
76G92.8Very high96.3Very high63 Ų6361.4 Ų61.465%0.64938%0.383SS*.THydrogen-bonded Turntrans-147.5-35.4-173.700000116H73H73-G76 PolarHBondContact O-N 2.85Å; H73-G76 VanDerWaalsContact O-N 3.08Å
77M96.6Very high96.5Very high98 Ų9861.6 Ų61.648%0.48338%0.381SS..BIsolated β-bridgetrans-148.572.8176.8-169168.5-72.400109.5L72 H73 M79 V80L72-M77 CarbonylContact C-O 3.54Å; L72-M77 VanDerWaalsContact CA-O 3.25Å; L72-M77 WeakPolarHBondContact CA-O 3.11Å; L72-M77 VanDerWaalsContact CD2-O 3.3Å; L72-M77 WeakPolarHBondContact CD2-O 3.44Å; H73-M77 PolarHBondContact N-O 2.66Å; H73-M77 CarbonylContact O-C 3.17Å; H73-M77 PolarHBondContact O-N 2.83Å; M77-M79 PolarHBondContact O-N 3.15Å; M77-V80 HydrophobicContact CG-CG1 3.87Å; M77-V80 HydrophobicContact SD-CG1 3.64Å
78P97.4Very high96.5Very high67 Ų6761.8 Ų61.844%0.43538%0.379SS..SBendtrans-76.8-9.5-178.231.9-36.4000113.4C42 L43C42-P78 CarbonylContact C-O 3.53Å; C42-P78 VanDerWaalsContact CA-O 3.31Å; C42-P78 WeakPolarHBondContact CA-O 3.12Å; L43-P78 PolarHBondContact N-O 2.9Å
79M98.3Very high96.3Very high107 Ų10759.5 Ų59.553%0.52737%0.366SS..EExtended strand (participates in β ladder)trans-149.3147.3177.7177.5179.9-73.500110.2T40 M41 C42 M77T40-M79 HydrophobicContact CG2-SD 4.29Å; M41-M79 CarbonylContact O-C 3.57Å; M41-M79 VanDerWaalsContact O-CA 3.28Å; M41-M79 WeakPolarHBondContact O-CA 3.42Å; C42-M79 HydrophobicContact CB-CB 3.9Å; C42-M79 HydrophobicContact CB-CE 3.68Å; C42-M79 HydrophobicContact CB-CG 3.98Å; M77-M79 PolarHBondContact O-N 3.15Å
80V98.3Very high96.2Very high26 Ų2660.5 Ų60.516%0.15837%0.373CS..EExtended strand (participates in β ladder)trans-125.5147.4164.7-65.10000110.4T40 M41 A70 L72 M77 L82T40-V80 VanDerWaalsContact CA-O 3.24Å; T40-V80 WeakPolarHBondContact CA-O 3.39Å; T40-V80 VanDerWaalsContact CB-O 3.25Å; T40-V80 WeakPolarHBondContact CB-O 3.43Å; M41-V80 HydrophobicContact CB-CG2 3.94Å; M41-V80 PolarHBondContact N-O 2.89Å; M41-V80 PolarHBondContact O-N 3.38Å; A70-V80 HydrophobicContact CB-CG2 3.84Å; L72-V80 HydrophobicContact CD2-CG1 4.02Å; L72-V80 HydrophobicContact CD2-CG2 4.28Å; M77-V80 HydrophobicContact CG-CG1 3.87Å; M77-V80 HydrophobicContact SD-CG1 3.64Å; V80-L82 HydrophobicContact CG2-CD2 4.19Å; V80-L82 HydrophobicContact CG2-CG 4.24Å
81N97.9Very high96.1Very high115 Ų11560.3 Ų60.362%0.61537%0.371SS*.EExtended strand (participates in β ladder)trans-95.8131.4171.1-173.8-16000108.7R39 S83R39-N81 PolarHBondContact O-OD1 2.84Å; N81-S83 WeakPolarHBondContact OD1-CB 3.32Å; N81-S83 PolarHBondContact OD1-N 2.85Å; N81-S83 PolarHBondContact OD1-OG 3.3Å
82L97.3Very high96Very high26 Ų2657.5 Ų57.514%0.13635%0.354CS..  trans-120.413.8-178.2-60.2180000112.5L38 R39 M41 V80 G84 L85L38-L82 HydrophobicContact CB-CB 3.9Å; L38-L82 HydrophobicContact CB-CD1 4.48Å; L38-L82 HydrophobicContact CD1-CD1 4.06Å; L38-L82 CarbonylContact O-C 3.6Å; R39-L82 PolarHBondContact O-N 3Å; M41-L82 HydrophobicContact CE-CD1 3.65Å; M41-L82 HydrophobicContact CG-CD1 3.69Å; M41-L82 HydrophobicContact SD-CD1 3.95Å; V80-L82 HydrophobicContact CG2-CD2 4.19Å; V80-L82 HydrophobicContact CG2-CG 4.24Å; L82-G84 PolarHBondContact O-N 2.9Å; L82-L85 WeakPolarHBondContact O-CB 3.42Å; L82-L85 PolarHBondContact O-N 3.02Å
83S96.1Very high96Very high64 Ų6457.5 Ų57.545%0.44835%0.354SS..THydrogen-bonded Turntrans-57.9123.5177.8-59.20000111.1L38 N81L38-S83 WeakPolarHBondContact O-CA 3.26Å; N81-S83 WeakPolarHBondContact OD1-CB 3.32Å; N81-S83 PolarHBondContact OD1-N 2.85Å; N81-S83 PolarHBondContact OD1-OG 3.3Å
84G92.4Very high95.9Very high66 Ų6658.7 Ų58.768%0.6836%0.357SS*.THydrogen-bonded Turntrans100.8-0.6-171.300000114.1L82L82-G84 PolarHBondContact O-N 2.9Å
85L96.1Very high96.1Very high54 Ų5456.5 Ų56.528%0.28334%0.338SS..  trans-95.2101.2163.7-176.354.4000109.7L38 V69 L82 L87L38-L85 HydrophobicContact CD1-CD2 4.03Å; L38-L85 HydrophobicContact CD1-CG 4.33Å; L38-L85 PolarHBondContact N-O 3.46Å; V69-L85 HydrophobicContact CG1-CD2 4.39Å; L82-L85 WeakPolarHBondContact O-CB 3.42Å; L82-L85 PolarHBondContact O-N 3.02Å; L85-L87 HydrophobicContact CD1-CD2 3.8Å; L85-L87 HydrophobicContact CD1-CG 4.45Å; L85-L87 HydrophobicContact CG-CD2 4.09Å; L85-L87 HydrophobicContact CG-CG 4.25Å
86E96.6Very high96.2Very high109 Ų10954.4 Ų54.451%0.50932%0.321SS..EExtended strand (participates in β ladder)trans-106.7130.5179.1-71.8161.7-171.900109.5A37A37-E86 HydrophobicContact CB-CG 4.02Å
87L96Very high96.5Very high13 Ų1354 Ų547%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-128.2133.4-166.9-62177.3000111.4Q35 L36 L38 L56 L85 V91 F93Q35-L87 CarbonylContact C-O 3.52Å; Q35-L87 WeakPolarHBondContact CA-O 3.37Å; L36-L87 HydrophobicContact CB-CB 4.41Å; L36-L87 PolarHBondContact N-O 2.69Å; L36-L87 PolarHBondContact O-N 3.08Å; L38-L87 HydrophobicContact CD1-CD1 3.78Å; L38-L87 HydrophobicContact CG-CD1 4.21Å; L56-L87 HydrophobicContact CD1-CD1 3.82Å; L56-L87 HydrophobicContact CD2-CD1 3.88Å; L56-L87 HydrophobicContact CD2-CD2 3.65Å; L56-L87 HydrophobicContact CD2-CG 4.45Å; L85-L87 HydrophobicContact CD1-CD2 3.8Å; L85-L87 HydrophobicContact CD1-CG 4.45Å; L85-L87 HydrophobicContact CG-CD2 4.09Å; L85-L87 HydrophobicContact CG-CG 4.25Å; L87-V91 HydrophobicContact CB-CG1 4.08Å; L87-V91 HydrophobicContact CB-CG2 4.43Å; L87-V91 HydrophobicContact CD1-CG1 4.49Å; L87-V91 HydrophobicContact CD1-CG2 4.35Å; L87-F93 HydrophobicContact CD1-CE1 4.24Å; L87-F93 HydrophobicContact CD1-CZ 3.89Å
88H94.1Very high96.5Very high123 Ų12350.2 Ų50.257%0.56930%0.295SS*.PPolyproline II helixtrans-92.1131.3174.2-61.389.2000109.7Q35 V91Q35-H88 PolarHBondContact NE2-NE2 3.09Å; H88-V91 WeakPolarHBondContact O-CG1 3.29Å
89P94.3Very high96.5Very high32 Ų3247.3 Ų47.321%0.20828%0.276CS..SBendtrans-68.7156.8-179.627.4-32.1000112.5F25 T27 H34F25-P89 HydrophobicContact CD1-CB 3.92Å; F25-P89 HydrophobicContact CE1-CB 3.81Å; F25-P89 HydrophobicContact CE1-CG 3.99Å; T27-P89 HydrophobicContact CG2-CG 4.28Å; T27-P89 WeakPolarHBondContact OG1-CG 3.49Å; H34-P89 HydrophobicContact CB-CG 3.85Å; H34-P89 WeakPolarHBondContact O-CD 3.24Å
90P94.3Very high96.5Very high53 Ų5342.4 Ų42.434%0.34425%0.253SS..SBendcis-77.3142.2-2.931.5-34.8000112.7T24 F25 K26 G59T24-P90 HydrophobicContact CG2-CB 4.47Å; F25-P90 WeakPolarHBondContact O-CA 3.37Å; K26-P90 HydrophobicContact CB-CB 4.39Å; G59-P90 PolarHBondContact N-O 2.87Å
91V95.3Very high96.5Very high0 Ų042.4 Ų42.40%025%0.253CS..EExtended strand (participates in β ladder)trans-133.2136.1170.6-66.30000111.7T24 F25 L36 L56 I57 T58 L87 H88 F93T24-V91 CarbonylContact C-O 3.6Å; T24-V91 WeakPolarHBondContact CA-O 3.49Å; F25-V91 HydrophobicContact CB-CG2 4Å; F25-V91 HydrophobicContact CD1-CG2 4.16Å; F25-V91 PolarHBondContact N-O 2.89Å; F25-V91 PolarHBondContact O-N 3.28Å; L36-V91 HydrophobicContact CD2-CG2 4.12Å; L56-V91 HydrophobicContact CD1-CB 3.89Å; L56-V91 HydrophobicContact CD1-CG1 4.21Å; I57-V91 CarbonylContact O-C 3.57Å; I57-V91 VanDerWaalsContact O-CA 3.32Å; I57-V91 WeakPolarHBondContact O-CA 3.37Å; T58-V91 HydrophobicContact CG2-CG1 4.01Å; L87-V91 HydrophobicContact CB-CG1 4.08Å; L87-V91 HydrophobicContact CB-CG2 4.43Å; L87-V91 HydrophobicContact CD1-CG1 4.49Å; L87-V91 HydrophobicContact CD1-CG2 4.35Å; H88-V91 WeakPolarHBondContact O-CG1 3.29Å; V91-F93 HydrophobicContact CG2-CE2 4.15Å; V91-F93 HydrophobicContact CG2-CZ 4.32Å
92T96.9Very high96.5Very high0 Ų036.9 Ų36.90%022%0.224CC..EExtended strand (participates in β ladder)trans-112.9130.6176.7-57.60000110.2E22 E23 T24 I57E22-T92 HydrophobicContact CB-CG2 4.22Å; E23-T92 CarbonylContact O-C 3.5Å; E23-T92 WeakPolarHBondContact O-CA 3.34Å; T24-T92 WeakPolarHBondContact CG2-OG1 3.07Å; T24-T92 PolarHBondContact OG1-OG1 2.84Å; I57-T92 HydrophobicContact CD1-CG2 4.44Å; I57-T92 PolarHBondContact N-O 2.84Å; I57-T92 PolarHBondContact O-N 2.89Å
93F97.9Very high96.6Very high0 Ų040.3 Ų40.30%024%0.236CC..EExtended strand (participates in β ladder)trans-98.3133.2168.9-58.9-80.3000109.3W12 L16 E22 E23 L36 L38 M41 V54 E55 L56 L87 V91 I104W12-F93 AromaticContact CH2-CD2 3.75Å; W12-F93 HydrophobicContact CH2-CD2 3.75Å; W12-F93 AromaticContact CH2-CE2 3.59Å; W12-F93 HydrophobicContact CH2-CE2 3.59Å; W12-F93 HydrophobicContact CZ2-CE2 4.48Å; W12-F93 HydrophobicContact CZ3-CD2 4.41Å; W12-F93 AromaticContact CZ3-CE2 3.94Å; W12-F93 HydrophobicContact CZ3-CE2 3.94Å; L16-F93 HydrophobicContact CD1-CB 3.99Å; E22-F93 VanDerWaalsContact CA-O 3.29Å; E22-F93 WeakPolarHBondContact CA-O 3.01Å; E23-F93 PolarHBondContact N-O 2.87Å; E23-F93 PolarHBondContact O-N 2.91Å; L36-F93 HydrophobicContact CD2-CE2 3.77Å; L36-F93 HydrophobicContact CD2-CZ 3.91Å; L38-F93 HydrophobicContact CD1-CE1 3.74Å; L38-F93 HydrophobicContact CD1-CZ 3.87Å; L38-F93 HydrophobicContact CD2-CE1 4.41Å; L38-F93 HydrophobicContact CD2-CZ 3.89Å; L38-F93 HydrophobicContact CG-CZ 4.37Å; M41-F93 HydrophobicContact CE-CD1 3.82Å; M41-F93 HydrophobicContact CE-CE1 3.99Å; V54-F93 HydrophobicContact CG1-CB 4.37Å; E55-F93 WeakPolarHBondContact O-CA 3.36Å; L56-F93 HydrophobicContact CD1-CD1 4.23Å; L56-F93 HydrophobicContact CD1-CE1 3.81Å; L56-F93 HydrophobicContact CD1-CZ 4.21Å; L87-F93 HydrophobicContact CD1-CE1 4.24Å; L87-F93 HydrophobicContact CD1-CZ 3.89Å; V91-F93 HydrophobicContact CG2-CE2 4.15Å; V91-F93 HydrophobicContact CG2-CZ 4.32Å; F93-I104 HydrophobicContact CB-CD1 3.49Å; F93-I104 VanDerWaalsContact CB-CD1 3.49Å; F93-I104 HydrophobicContact CD1-CD1 3.93Å; F93-I104 HydrophobicContact CD2-CD1 4.24Å; F93-I104 HydrophobicContact CG-CD1 3.61Å
94R97.6Very high96.7Very high60 Ų6037.4 Ų37.423%0.22622%0.215CC..EExtended strand (participates in β ladder)trans-131.6126.8-176.8176.6166.164.4-149.4-3112.3M21 E22 V54 E55 T96M21-R94 CarbonylContact O-C 3.53Å; M21-R94 WeakPolarHBondContact O-CA 3.42Å; E22-R94 HydrophobicContact CG-CB 3.97Å; E22-R94 HydrophobicContact CG-CG 3.82Å; E22-R94 WeakPolarHBondContact OE1-CD 3.36Å; E22-R94 IonicContact OE1-NH1 2.79Å; V54-R94 CarbonylContact C-O 3.58Å; V54-R94 VanDerWaalsContact CA-O 3.31Å; V54-R94 WeakPolarHBondContact CA-O 3.25Å; E55-R94 HydrophobicContact CB-CB 4.45Å; E55-R94 PolarHBondContact N-O 3.42Å; E55-R94 PolarHBondContact O-N 3.04Å; E55-R94 IonicContact OE2-CZ 2.95Å; E55-R94 IonicContact OE2-NE 2.76Å; E55-R94 PolarHBondContact OE2-NE 2.99Å; E55-R94 IonicContact OE2-NH2 3.46Å; E55-R94 PolarHBondContact OE2-NH2 2.78Å; R94-T96 HydrophobicContact CG-CG2 3.75Å; R94-T96 PolarHBondContact O-N 2.99Å
95L98Very high97Very high3 Ų336.7 Ų36.72%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-80.3102.3169.5-172.566.7000108.8L16 M21 N52 I53 V54 S97 G98 V102L16-L95 HydrophobicContact CB-CB 4.02Å; L16-L95 HydrophobicContact CB-CD2 4.38Å; L16-L95 HydrophobicContact CD1-CB 4.23Å; M21-L95 HydrophobicContact CE-CB 4.42Å; M21-L95 HydrophobicContact CE-CD2 4.22Å; M21-L95 HydrophobicContact CE-CG 4.27Å; M21-L95 WeakPolarHBondContact CE-O 3.26Å; M21-L95 PolarHBondContact O-N 3Å; N52-L95 HydrophobicContact CB-CD1 4.3Å; I53-L95 CarbonylContact O-C 3.02Å; I53-L95 WeakPolarHBondContact O-CA 3.22Å; V54-L95 HydrophobicContact CG2-CD1 4.28Å; L95-S97 VanDerWaalsContact CD1-O 3.22Å; L95-S97 WeakPolarHBondContact CD1-O 3.49Å; L95-G98 WeakPolarHBondContact CD2-O 3.33Å; L95-V102 HydrophobicContact CD1-CG2 3.77Å
96T97.1Very high97.1Very high63 Ų6334.2 Ų34.239%0.38719%0.187SC..EExtended strand (participates in β ladder)trans-94.3-9.2-179.654.50000113.9I53 E55 R94I53-T96 PolarHBondContact O-N 2.82Å; E55-T96 HydrophobicContact CB-CG2 4.31Å; E55-T96 VanDerWaalsContact CD-CG2 3.42Å; E55-T96 HydrophobicContact CG-CG2 3.82Å; E55-T96 WeakPolarHBondContact OE2-CG2 3.38Å; R94-T96 HydrophobicContact CG-CG2 3.75Å; R94-T96 PolarHBondContact O-N 2.99Å
97S97.5Very high97.2Very high56 Ų5631.5 Ų31.539%0.39217%0.174SC..EExtended strand (participates in β ladder)trans-153.5153.8171.1-147.80000110.6F51 N52 I53 L95F51-S97 CarbonylContact O-C 3.57Å; N52-S97 CarbonylContact C-O 3.58Å; N52-S97 VanDerWaalsContact CA-O 3.26Å; N52-S97 WeakPolarHBondContact CA-O 3.22Å; I53-S97 PolarHBondContact N-O 2.82Å; L95-S97 VanDerWaalsContact CD1-O 3.22Å; L95-S97 WeakPolarHBondContact CD1-O 3.49Å
98G97.7Very high97.2Very high18 Ų1833 Ų3319%0.18618%0.181CC..SBendtrans79.5162.5-176.200000114.1F51 L95F51-G98 WeakPolarHBondContact O-CA 3.38Å; F51-G98 PolarHBondContact O-N 2.92Å; L95-G98 WeakPolarHBondContact CD2-O 3.33Å
99A97.6Very high97.3Very high6 Ų628.7 Ų28.75%0.0516%0.162CC..  trans-87.7-13-176.200000115S17 E18 K48 E50 N52S17-A99 CarbonylContact C-O 3.48Å; S17-A99 VanDerWaalsContact CA-O 3.25Å; S17-A99 WeakPolarHBondContact CA-O 3.34Å; E18-A99 VanDerWaalsContact CD-CB 3.43Å; E18-A99 HydrophobicContact CG-CB 3.56Å; E18-A99 PolarHBondContact N-O 2.78Å; E18-A99 WeakPolarHBondContact OE1-CB 3.43Å; K48-A99 HydrophobicContact CD-CB 3.7Å; K48-A99 HydrophobicContact CG-CB 4.34Å; E50-A99 WeakPolarHBondContact OE1-CB 3.31Å; E50-A99 PolarHBondContact OE1-N 3.03Å; N52-A99 PolarHBondContact OD1-N 2.88Å
100G97.2Very high97.3Very high4 Ų427.6 Ų27.64%0.04116%0.155CC..  trans63.1-155.9-163.500000112.2A47 N52A47-G100 WeakPolarHBondContact CA-O 3.43Å; N52-G100 WeakPolarHBondContact OD1-CA 3.32Å; N52-G100 PolarHBondContact OD1-N 2.82Å
101P98.4Very high97.1Very high25 Ų2528.2 Ų28.216%0.16216%0.155CC..  cis-66.2132.8-426.8-34.3000112E15 L16 G44 Y103E15-P101 HydrophobicContact CG-CB 3.72Å; L16-P101 CarbonylContact O-C 3.43Å; L16-P101 WeakPolarHBondContact O-CA 3.49Å; G44-P101 PolarHBondContact N-O 3.28Å; P101-Y103 HydrophobicContact CB-CE2 4.45Å
102V98.8Very high96.6Very high0 Ų032.7 Ų32.70%018%0.176CC..EExtended strand (participates in β ladder)trans-106.3119.3167.1-175.70000108.1E15 L16 M41 C42 L43 N52 V54 L72 L95E15-V102 CarbonylContact C-O 3.52Å; E15-V102 WeakPolarHBondContact CA-O 3.18Å; L16-V102 PolarHBondContact N-O 2.82Å; L16-V102 PolarHBondContact O-N 2.89Å; M41-V102 HydrophobicContact CB-CG1 4.45Å; C42-V102 CarbonylContact O-C 3.56Å; C42-V102 WeakPolarHBondContact O-CA 3.44Å; L43-V102 HydrophobicContact CD2-CG2 4.05Å; N52-V102 HydrophobicContact CB-CG2 3.92Å; V54-V102 HydrophobicContact CG2-CG1 4.04Å; L72-V102 HydrophobicContact CD1-CG1 3.62Å; L72-V102 HydrophobicContact CD1-CG2 4.4Å; L95-V102 HydrophobicContact CD1-CG2 3.77Å
103Y98.8Very high95.4Very high98 Ų9835 Ų3538%0.38419%0.188SC..EExtended strand (participates in β ladder)trans-87.9136.2169.7-63-65.6000110.1C14 E15 M41 C42 P101C14-Y103 WeakPolarHBondContact O-CA 3.33Å; E15-Y103 HydrophobicContact CB-CD1 3.93Å; E15-Y103 HydrophobicContact CB-CE1 3.68Å; E15-Y103 HydrophobicContact CG-CD1 4.01Å; E15-Y103 HydrophobicContact CG-CE1 3.52Å; E15-Y103 WeakPolarHBondContact OE2-CE1 3.41Å; E15-Y103 VanDerWaalsContact OE2-CZ 3.23Å; E15-Y103 PolarHBondContact OE2-OH 2.89Å; M41-Y103 CarbonylContact C-O 3.55Å; M41-Y103 WeakPolarHBondContact CA-O 3.43Å; C42-Y103 PolarHBondContact N-O 2.77Å; C42-Y103 PolarHBondContact O-N 2.92Å; P101-Y103 HydrophobicContact CB-CE2 4.45Å
104I98.7Very high93.8Very high2 Ų241.6 Ų41.61%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-116133.2171.6-50179.8000106.7W12 G13 C14 L16 L38 M41 V54 F93W12-I104 HydrophobicContact CZ3-CB 4.34Å; W12-I104 HydrophobicContact CZ3-CG2 3.87Å; G13-I104 CarbonylContact C-O 3.55Å; G13-I104 WeakPolarHBondContact CA-O 3.31Å; C14-I104 PolarHBondContact N-O 3.31Å; C14-I104 PolarHBondContact O-N 2.82Å; L16-I104 HydrophobicContact CD1-CD1 3.78Å; L16-I104 HydrophobicContact CG-CD1 4.15Å; L38-I104 HydrophobicContact CD2-CG2 3.99Å; M41-I104 HydrophobicContact CE-CD1 3.87Å; M41-I104 HydrophobicContact CE-CG1 4.11Å; M41-I104 HydrophobicContact CE-CG2 3.86Å; M41-I104 HydrophobicContact CG-CB 4.28Å; M41-I104 HydrophobicContact CG-CG1 3.97Å; M41-I104 HydrophobicContact CG-CG2 4Å; M41-I104 HydrophobicContact SD-CD1 4.34Å; M41-I104 HydrophobicContact SD-CG1 4.17Å; V54-I104 HydrophobicContact CG1-CD1 4.29Å; F93-I104 HydrophobicContact CB-CD1 3.49Å; F93-I104 VanDerWaalsContact CB-CD1 3.49Å; F93-I104 HydrophobicContact CD1-CD1 3.93Å; F93-I104 HydrophobicContact CD2-CD1 4.24Å; F93-I104 HydrophobicContact CG-CD1 3.61Å
105C98.4Very high91.7Very high51 Ų5145.5 Ų45.535%0.34524%0.243SC..EExtended strand (participates in β ladder)trans-133.6151.3172.775.20000113W12 R39 T40W12-C105 WeakPolarHBondContact O-CA 3.34Å; R39-C105 PolarHBondContact N-O 2.75Å; T40-C105 PolarHBondContact N-O 2.94Å; T40-C105 PolarHBondContact O-N 2.79Å; T40-C105 PolarHBondContact OG1-SG 3.47Å
106G98.1Very high89.6Confident3 Ų350.4 Ų50.43%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-165.1-167.9-178.700000111.6W12 A37W12-G106 PolarHBondContact N-O 3.28Å; W12-G106 PolarHBondContact O-N 3.14Å; A37-G106 CarbonylContact O-C 3.54Å; A37-G106 WeakPolarHBondContact O-CA 3.29Å
107E97.9Very high87.3Confident51 Ų5150.4 Ų50.424%0.23829%0.29CS..EExtended strand (participates in β ladder)trans-124.6125.7172.5-72.1168.3101.200108.9S9 M10 L11 L36 A37 R39S9-E107 PolarHBondContact OG-OE1 2.64Å; S9-E107 VanDerWaalsContact OG-OE1 3.09Å; M10-E107 CarbonylContact O-C 3.57Å; M10-E107 WeakPolarHBondContact O-CA 3.1Å; L11-E107 HydrophobicContact CD2-CG 4.37Å; L36-E107 WeakPolarHBondContact CA-O 3.49Å; A37-E107 PolarHBondContact N-O 2.72Å; A37-E107 PolarHBondContact O-N 2.96Å; R39-E107 IonicContact CZ-OE2 3.29Å; R39-E107 IonicContact NE-OE2 3.16Å; R39-E107 PolarHBondContact NE-OE2 3.29Å; R39-E107 IonicContact NH2-OE2 2.69Å; R39-E107 PolarHBondContact NH2-OE2 2.9Å
108H96.8Very high85.1Confident45 Ų4553.6 Ų53.621%0.20830%0.302CS..EExtended strand (participates in β ladder)trans-77.7118164.5173-161.5000107.5S9 M10 W12 F25 H34 Q35S9-H108 WeakPolarHBondContact CA-O 3.44Å; M10-H108 PolarHBondContact N-O 3.31Å; M10-H108 PolarHBondContact O-N 3.29Å; W12-H108 HydrophobicContact CB-CB 4.35Å; F25-H108 HydrophobicContact CE2-CB 4.26Å; F25-H108 AromaticContact CE2-CG 3.96Å; F25-H108 HydrophobicContact CZ-CB 4.27Å; F25-H108 AromaticContact CZ-CD2 3.53Å; F25-H108 AromaticContact CZ-CG 3.76Å; F25-H108 AromaticContact CZ-NE2 3.84Å; H34-H108 AromaticContact CE1-NE2 3.67Å; H34-H108 AromaticContact CG-NE2 3.8Å; H34-H108 AromaticContact ND1-NE2 3.14Å; H34-H108 PolarHBondContact ND1-NE2 3.44Å; H34-H108 VanDerWaalsContact ND1-NE2 3.14Å; Q35-H108 WeakPolarHBondContact O-CA 3.41Å
109I95.6Very high82.6Confident33 Ų3361.1 Ų61.117%0.16933%0.332CS..EExtended strand (participates in β ladder)trans-105.9133.9176.3-57.6174.6000108P7 L8 H34 Q35 A37P7-I109 HydrophobicContact CB-CG2 3.9Å; L8-I109 CarbonylContact O-C 3.59Å; L8-I109 WeakPolarHBondContact O-CA 3.32Å; H34-I109 WeakPolarHBondContact CA-O 3.26Å; Q35-I109 HydrophobicContact CB-CB 4.38Å; Q35-I109 PolarHBondContact N-O 2.99Å; Q35-I109 PolarHBondContact O-N 3.28Å; A37-I109 HydrophobicContact CB-CD1 3.98Å
110A93.8Very high80.2Confident9 Ų966.5 Ų66.57%0.07437%0.369CS..EExtended strand (participates in β ladder)trans-128128.9171.500000110.1P7 L8 Y32 H34P7-A110 CarbonylContact C-O 3.39Å; P7-A110 VanDerWaalsContact CA-O 3.31Å; P7-A110 WeakPolarHBondContact CA-O 3.31Å; L8-A110 HydrophobicContact CB-CB 4.37Å; L8-A110 PolarHBondContact N-O 2.97Å; L8-A110 PolarHBondContact O-N 2.92Å; Y32-A110 HydrophobicContact CD1-CB 3.78Å; Y32-A110 HydrophobicContact CE1-CB 4.48Å; Y32-A110 HydrophobicContact CG-CB 4.3Å; H34-A110 VanDerWaalsContact ND1-CB 3.34Å; H34-A110 WeakPolarHBondContact ND1-CB 3.24Å
111L90.4Very high77.7Confident65 Ų6569.4 Ų69.434%0.3440%0.399SS..EExtended strand (participates in β ladder)trans-117.3132.9175.5-72.2158.9000108P7 Y32 Q33P7-L111 HydrophobicContact CB-CD2 3.62Å; P7-L111 HydrophobicContact CB-CG 4.13Å; P7-L111 HydrophobicContact CG-CD2 4.03Å; Y32-L111 CarbonylContact C-O 3.54Å; Y32-L111 WeakPolarHBondContact CA-O 3.22Å; Y32-L111 WeakPolarHBondContact CB-O 3.47Å; Y32-L111 WeakPolarHBondContact CD1-O 3.41Å; Q33-L111 HydrophobicContact CB-CB 4.44Å; Q33-L111 PolarHBondContact N-O 2.78Å; Q33-L111 PolarHBondContact O-N 2.96Å
112E84.8Confident75.2Confident95 Ų9575.3 Ų75.344%0.44443%0.429SS..EExtended strand (participates in β ladder)trans-62.2143.3173.3-68.8-178-174.800110.2Y32 D114Y32-E112 HydrophobicContact CD1-CG 4.01Å; Y32-E112 HydrophobicContact CE1-CB 4.45Å; Y32-E112 HydrophobicContact CE1-CG 3.44Å; Y32-E112 VanDerWaalsContact CE1-CG 3.44Å; E112-D114 PolarHBondContact O-N 3.41Å
113D72.3Confident72.7Confident47 Ų4783.6 Ų83.625%0.25147%0.468SS..  trans-81.8104.3-178.4-163.441.9000111.3N31 Q33 F115 S116N31-D113 PolarHBondContact O-N 2.84Å; Q33-D113 PolarHBondContact NE2-OD1 2.95Å; D113-F115 PolarHBondContact O-N 2.61Å; D113-S116 WeakPolarHBondContact O-CB 3.39Å; D113-S116 PolarHBondContact O-N 3.18Å; D113-S116 PolarHBondContact O-OG 3.2Å
114D64.5Low70.1Confident139 Ų13987.1 Ų87.174%0.74349%0.488SS*.G310 helixtrans-54-21.5-177-83.2-41.9000113.6E112 S116 G117E112-D114 PolarHBondContact O-N 3.41Å; D114-S116 PolarHBondContact O-N 3.12Å; D114-G117 PolarHBondContact O-N 3.02Å
115F53.5Low67.4Low142 Ų14295.5 Ų95.562%0.62353%0.529SS*.G310 helixtrans-62-21.4176.4-73.8-77.3000113.9D113 G117 I118D113-F115 PolarHBondContact O-N 2.61Å; F115-G117 PolarHBondContact O-N 3.21Å; F115-I118 HydrophobicContact CD1-CD1 3.9Å; F115-I118 HydrophobicContact CE1-CD1 4.33Å; F115-I118 PolarHBondContact O-N 2.8Å
116S53.1Low64.8Low106 Ų106101.7 Ų101.774%0.74155%0.553SS**G310 helixtrans-60.9-20170.658.60000113.8D113 D114D113-S116 WeakPolarHBondContact O-CB 3.39Å; D113-S116 PolarHBondContact O-N 3.18Å; D113-S116 PolarHBondContact O-OG 3.2Å; D114-S116 PolarHBondContact O-N 3.12Å
117G49.3Very low62.1Low64 Ų64108.7 Ų108.766%0.6659%0.589SS**G310 helixtrans-87.9-3.5177.300000115.4D114 F115 E119D114-G117 PolarHBondContact O-N 3.02Å; F115-G117 PolarHBondContact O-N 3.21Å; G117-E119 VanDerWaalsContact C-N 3.25Å; G117-E119 PolarHBondContact O-N 3.05Å; G117-E119 VanDerWaalsContact O-N 3.12Å
118I50.4Low59.5Low123 Ų123115.1 Ų115.163%0.63162%0.62SS**  trans-85.873.4171-47.7-176.7000108.3F115F115-I118 HydrophobicContact CD1-CD1 3.9Å; F115-I118 HydrophobicContact CE1-CD1 4.33Å; F115-I118 PolarHBondContact O-N 2.8Å
119E45.5Very low56.9Low176 Ų176121.9 Ų121.982%0.82265%0.651SS**  trans-54.1140.3152.7-79-169.5127.800108G117 G121G117-E119 VanDerWaalsContact C-N 3.25Å; G117-E119 PolarHBondContact O-N 3.05Å; G117-E119 VanDerWaalsContact O-N 3.12Å; E119-G121 VanDerWaalsContact C-N 3.25Å; E119-G121 PolarHBondContact O-N 2.92Å
120S48Very low54.1Low119 Ų119128.6 Ų128.683%0.83268%0.682SS**  trans-64.390.1173.8-58.60000109.3D122S120-D122 PolarHBondContact O-N 2.74Å
121G43.5Very low51.5Low64 Ų64135.9 Ų135.966%0.6672%0.72SS**  trans-61.888.2163.300000108.4E119 E123E119-G121 VanDerWaalsContact C-N 3.25Å; E119-G121 PolarHBondContact O-N 2.92Å; G121-E123 PolarHBondContact O-N 2.88Å
122D47.4Very low49Very low150 Ų150138.7 Ų138.780%0.80273%0.734SS**  trans-68.673.7162.7-157.923.6000106.1S120 E124S120-D122 PolarHBondContact O-N 2.74Å; D122-E124 VanDerWaalsContact C-N 3.29Å; D122-E124 PolarHBondContact O-N 3.14Å
123E45.7Very low46.8Very low174 Ų174142.3 Ų142.381%0.81375%0.751SS**  trans-65.195.5173.8-71.5-171.2167.900106.5G121 M125G121-E123 PolarHBondContact O-N 2.88Å; E123-M125 PolarHBondContact O-N 3.04Å
124E44.6Very low45Very low171 Ų171149.4 Ų149.480%0.79978%0.782SS**  trans-48.3110.7-178.5-65-174.8156.100109.1D122 E126D122-E124 VanDerWaalsContact C-N 3.29Å; D122-E124 PolarHBondContact O-N 3.14Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 3.01Å
125M42.5Very low43.8Very low178 Ų178147.1 Ų147.188%0.87778%0.777SS**  trans-73.490.6178.1-61.9-152.2-50.300108.6E123 D127E123-M125 PolarHBondContact O-N 3.04Å; M125-D127 PolarHBondContact O-N 2.89Å; M125-D127 VanDerWaalsContact O-N 3.15Å
126E43.7Very low43.7Very low181 Ų181145.7 Ų145.785%0.84678%0.782SS**  trans-60.7111.5164.6-68.5-166.9131.600108.4E124 E128E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 3.01Å; E126-E128 PolarHBondContact O-N 2.85Å
127D41.8Very low42.9Very low150 Ų150145.9 Ų145.980%0.80278%0.778SS**  trans-62104.5175.6-83.9-53.9000110.3M125 E129M125-D127 PolarHBondContact O-N 2.89Å; M125-D127 VanDerWaalsContact O-N 3.15Å; D127-E129 VanDerWaalsContact C-N 3.34Å; D127-E129 PolarHBondContact O-N 2.9Å
128E42.2Very low42.6Very low187 Ų187151.8 Ų151.887%0.87479%0.786SS**  trans-70.589.1162.2-73.2-164.5133.300109.2E126 E130E126-E128 PolarHBondContact O-N 2.85Å; E128-E130 PolarHBondContact O-N 3.15Å
129E42.9Very low42.3Very low187 Ų187151.1 Ų151.187%0.87479%0.79SS**  trans-6692.7169.7-75.2-160.7143.300110.9D127 D131D127-E129 VanDerWaalsContact C-N 3.34Å; D127-E129 PolarHBondContact O-N 2.9Å; E129-D131 PolarHBondContact O-N 2.76Å; E129-D131 VanDerWaalsContact O-N 3.14Å
130E37Very low41.9Very low174 Ų174152.1 Ų152.181%0.81379%0.791SS**  trans-65.3100.3160.4-71.8-165.2142.700110.1E128E128-E130 PolarHBondContact O-N 3.15Å
131D38.8Very low41.3Very low162 Ų162156.1 Ų156.187%0.86679%0.794SS**  trans-99.9145.3163.8-161.210.8000111.7E129E129-D131 PolarHBondContact O-N 2.76Å; E129-D131 VanDerWaalsContact O-N 3.14Å
132I37Very low40.8Very low124 Ų124156.9 Ų156.964%0.63679%0.794SS**  trans-124.7132.1-144.7-63.6172.9000112.8
133E39.4Very low40.2Very low171 Ų171157.9 Ų157.980%0.79980%0.798SS**  trans49.4126166-71.9-165.6-173.700120.1
134E34Very low39.8Very low196 Ų196153.2 Ų153.292%0.91679%0.789SS**  -137.8136.8125.6-142.2-175.5-173.900112.2
135S39.8Very low39.4Very low91 Ų91154.5 Ų154.564%0.63679%0.792SS**  trans-121.5177.9176.8-85.70000109.2
136P51.8Low38.9Very low111 Ų111151.8 Ų151.872%0.72179%0.791SS**  cis-120.7-151.8-6.526.6-2.4000111.8
137V35.3Very low38.4Very low110 Ų110146.4 Ų146.467%0.66778%0.784SS**  -170105.265.9-177.70000113.7
138K42.9Very low38Very low189 Ų189146.6 Ų146.682%0.82279%0.785SS**  trans58.7-173.1140.7-47.7175.1-178169.60118.5
139P44.2Very low37.7Very low109 Ų109144 Ų14471%0.70878%0.782SS**  -137.3169.3-88.442.8-26.4000116.6
140K37.6Very low37.3Very low197 Ų197139 Ų13986%0.85777%0.772SS**  trans-170.4133.8143.5-100.3138.5-165.8171.90114.3
141K34.6Very low37.1Very low202 Ų202137.9 Ų137.988%0.87877%0.767SS**  trans28.8137.6134.5-65.5-177.2-179.4-175.80119.3
142A34.2Very low36.9Very low80 Ų80138.1 Ų138.166%0.66176%0.761SS**  cis-170.9171.26.700000112.6
143L33.5Very low37Very low171 Ų171141.3 Ų141.390%0.89577%0.77SS**  trans36135.9149.7-84.380.1000120.2
144A37.7Very low36.7Very low76 Ų76143.3 Ų143.363%0.62878%0.776SS**  cis-166.8171.33.900000112.3
145K37.1Very low36.9Very low199 Ų199143.3 Ų143.387%0.86577%0.773SS**  trans20.3131.3144.5-59.6176.2-176.8-176.50116.8
146S31.9Very low37.2Very low121 Ų121143.2 Ų143.285%0.84677%0.77SS**  cis157159.830.742.20000105.4
147G32.6Very low36.4Very low68 Ų68146.6 Ų146.670%0.70178%0.776SS**  cis175.4-156.2300000110.2
148N33.9Very low36.6Very low154 Ų154145.7 Ų145.782%0.82478%0.781SS**  trans-6.1151165.5-60.420.4000119.8
149T34.8Very low36.4Very low132 Ų132140.9 Ų140.981%0.8178%0.776SS**  cis-160166.629.1-23.50000112.3
150A35.2Very low36.2Very low81 Ų81143.6 Ų143.667%0.66979%0.785SS**  trans-97.6-177.8164.600000112.5
151E33.5Very low36.3Very low152 Ų152142.5 Ų142.571%0.7178%0.782SS**  trans74.9158.8177.9-56-161.191.300115.9
152K33.8Very low36.9Very low166 Ų166137.6 Ų137.672%0.72277%0.771SS**  cis-151.2160.219.5-147.1140.7-169142.90115.1
153K38.8Very low37.2Very low191 Ų191139.9 Ų139.983%0.8378%0.777SS**  trans-63.2157.5175-53.5168179.5175.20113.1
154K34.4Very low37.7Very low214 Ų214137.4 Ų137.493%0.9377%0.774SS**  trans-167.7121.4135-109.4174.7-178.4-172.50115.8
155K37.2Very low38Very low195 Ų195141.1 Ų141.185%0.84878%0.783SS**  trans-99.5-175.3138-119.8-170.6176.6-174.90106.2
156P46.1Very low38.5Very low90 Ų90139.2 Ų139.258%0.58478%0.783SS**  cis-141.6-168.119.543.6-23000115.8
157E35.7Very low38.9Very low181 Ų181142.2 Ų142.285%0.84678%0.783SS**  trans53.2158.9145.4-74.2159.9105.800121.4
158A40.2Very low39.4Very low92 Ų92146 Ų14676%0.7679%0.788SS**  cis-167.6-163.4-2400000106.7
159A38.2Very low40.5Very low88 Ų88143.4 Ų143.473%0.72778%0.779SS**  cis-164.8158.8-7.100000107.4
160D39.2Very low41.5Very low165 Ų165142.4 Ų142.488%0.88277%0.774SS**  176.9162.9129.4-115.2-45.6000113.9
161E39.8Very low42Very low174 Ų174148.1 Ų148.181%0.81379%0.787SS**  trans-126.5-154.7178.9-45.9-172.1148.100110.5
162P46.6Very low42.5Very low99 Ų99149.8 Ų149.864%0.64379%0.792SS**  cis-135.7-175.7-23.627.5-3000115.3
163V41.2Very low42.8Very low129 Ų129146 Ų14678%0.78280%0.801SS**  trans52.6133.8154.7-710000124.4
164S43.1Very low43.1Very low119 Ų119146.2 Ų146.283%0.83280%0.802SS**  -158.3127.1121.2640000112
165D44Very low43.5Very low153 Ų153140 Ų14082%0.81880%0.798SS**  trans-73.7160166.3-69.4-83.9000112.4
166D48.5Very low43.9Very low160 Ų160142.5 Ų142.586%0.85680%0.802SS**  -162.1178.1123.2-151.4-100.6000111.3
167E41.3Very low44Very low183 Ų183142.2 Ų142.286%0.85582%0.815SS**  trans-95.6178.5-155.9-71.8-157.882.400117.2
168N41.9Very low44.6Very low149 Ų149143.4 Ų143.480%0.79782%0.818SS**  trans-104-150.2-177.9-160.7-0.8000111.2
169P57.3Low45.1Very low99 Ų99142.9 Ų142.964%0.64382%0.822SS**  trans-107.4-148.1-133.144-26000110.7
170P55.3Low45.8Very low110 Ų110150.8 Ų150.871%0.71483%0.833SS**  cis-133.5-172.6-1742-26.5000113.5
171Q47.2Very low46.4Very low201 Ų201146.5 Ų146.594%0.93983%0.827SS**  trans-152.9153.9138.8-122.517370.200115.9
172K42.6Very low46.8Very low187 Ų187151.9 Ų151.981%0.81385%0.848SS**  trans-105.3122-175.9-72.2173.7179.61720111.6K174K172-K174 PolarHBondContact O-N 2.98Å
173G40.6Very low46.8Very low87 Ų87154.6 Ų154.690%0.89786%0.859SS**  trans-75.6105.8167.700000112.5
174K44.8Very low47.1Very low196 Ų196155.9 Ų155.985%0.85286%0.863SS**  trans-9292.6172.2-83.1-176174176.40111.6K172 R176K172-K174 PolarHBondContact O-N 2.98Å; K174-R176 PolarHBondContact O-N 2.83Å
175G42.2Very low47.3Very low84 Ų84157.9 Ų157.987%0.86686%0.864SS**  trans-72.1115.8170.500000112.3
176R46.2Very low47.5Very low247 Ų247158.2 Ų158.293%0.93287%0.867SS**  trans-114.179.7-176.5-155.4-179-172.1-175.22.2111.1K174K174-R176 PolarHBondContact O-N 2.83Å
177G48.9Very low47.5Very low83 Ų83158.1 Ų158.186%0.85687%0.868SS**  trans-84.7119.717800000112.6
178K47.3Very low47.9Very low206 Ų206156.5 Ų156.590%0.89687%0.869SS**  trans-12288.4-175.9-171.1-174.9-178.7-1730110.8
179G51.3Low48.3Very low82 Ų82157 Ų15785%0.84587%0.874SS**  trans-102117.4177.400000112.4
180R53.7Low47.6Very low253 Ų253161.5 Ų161.596%0.95589%0.892SS**  trans-152.6115.1175.6-155-171-166.7-167.35.4108.2
181G50.3Low47Very low75 Ų75165.8 Ų165.877%0.77391%0.906SS**  trans166.1101.617600000115.8
182K48.7Very low46.9Very low288 Ų288162.5 Ų162.5100%1.25290%0.903SS**  trans47.80163.3-68.2-171.2172.4-174.10116.5

Retrieved 182 of 182 residues in 138.3 ms (Link to these results)

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