A0A3Q0KV83_SCHMA Loading...

Putative beta-1,4-galactosyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KV83, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 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
1M87.4Confident92.6Very high77 Ų7789 Ų8938%0.37941%0.41SS..  0-59.20-167175.9-66.400110.4K3 V59 F72 Q74 V159M1-K3 PolarHBondContact O-N 3.3Å; M1-V59 HydrophobicContact CG-CG2 4.25Å; M1-V59 HydrophobicContact SD-CG2 3.98Å; M1-F72 HydrophobicContact SD-CD2 4.25Å; M1-F72 HydrophobicContact SD-CE2 4.21Å; M1-Q74 HydrophobicContact CE-CB 3.68Å; M1-Q74 HydrophobicContact CE-CG 4.24Å; M1-Q74 HydrophobicContact SD-CB 4.09Å; M1-V159 WeakPolarHBondContact CB-O 3.26Å; M1-V159 HydrophobicContact CE-CB 4.29Å; M1-V159 HydrophobicContact CE-CG1 4.28Å; M1-V159 PolarHBondContact N-O 2.87Å; M1-V159 VanDerWaalsContact N-O 3.09Å
2F94.3Very high92.8Very high1 Ų187.3 Ų87.30%0.00442%0.416CS..  trans-89.720.1-170.5-58.7-78.5000116.4K4 F5 V59 L61 F72 H160 D164 G165 L166F2-K4 VanDerWaalsContact C-N 3.3Å; F2-K4 PolarHBondContact O-N 3.38Å; F2-F5 HydrophobicContact CB-CB 3.91Å; F2-F5 HydrophobicContact CD1-CB 3.88Å; F2-F5 HydrophobicContact CD1-CD1 4.4Å; F2-F5 AromaticContact CD1-CD2 3.69Å; F2-F5 HydrophobicContact CD1-CD2 3.69Å; F2-F5 HydrophobicContact CD1-CE2 4.29Å; F2-F5 AromaticContact CD1-CG 3.74Å; F2-F5 HydrophobicContact CD1-CG 3.74Å; F2-F5 HydrophobicContact CE1-CD2 4.11Å; F2-F5 HydrophobicContact CE1-CE2 4.3Å; F2-F5 HydrophobicContact CG-CB 4.43Å; F2-F5 WeakPolarHBondContact O-CB 3.44Å; F2-F5 PolarHBondContact O-N 3.31Å; F2-F5 VanDerWaalsContact O-N 3.14Å; F2-V59 HydrophobicContact CE1-CG1 3.69Å; F2-V59 HydrophobicContact CZ-CG1 3.71Å; F2-L61 HydrophobicContact CE1-CD2 3.94Å; F2-L61 HydrophobicContact CZ-CD2 3.96Å; F2-F72 HydrophobicContact CE2-CD1 4.32Å; F2-F72 AromaticContact CE2-CD2 3.59Å; F2-F72 HydrophobicContact CE2-CD2 3.59Å; F2-F72 HydrophobicContact CE2-CE1 4.35Å; F2-F72 AromaticContact CE2-CE2 3.63Å; F2-F72 HydrophobicContact CE2-CE2 3.63Å; F2-F72 AromaticContact CE2-CG 3.95Å; F2-F72 HydrophobicContact CE2-CG 3.95Å; F2-F72 HydrophobicContact CE2-CZ 4Å; F2-F72 HydrophobicContact CZ-CB 4.15Å; F2-F72 AromaticContact CZ-CD2 3.71Å; F2-F72 HydrophobicContact CZ-CD2 3.71Å; F2-F72 HydrophobicContact CZ-CE2 4.23Å; F2-F72 AromaticContact CZ-CG 3.91Å; F2-F72 HydrophobicContact CZ-CG 3.91Å; F2-H160 HydrophobicContact CD2-CB 4.25Å; F2-D164 HydrophobicContact CB-CB 4.29Å; F2-G165 WeakPolarHBondContact O-CA 3.44Å; F2-G165 PolarHBondContact O-N 3.34Å; F2-L166 HydrophobicContact CB-CB 3.85Å; F2-L166 HydrophobicContact CD1-CB 3.77Å; F2-L166 HydrophobicContact CD2-CB 3.85Å; F2-L166 HydrophobicContact CD2-CD2 3.9Å; F2-L166 HydrophobicContact CE1-CB 4.25Å; F2-L166 HydrophobicContact CE1-CD2 4.26Å; F2-L166 HydrophobicContact CE2-CB 4.34Å; F2-L166 HydrophobicContact CE2-CD2 3.62Å; F2-L166 HydrophobicContact CG-CB 3.54Å; F2-L166 HydrophobicContact CG-CD2 4.36Å; F2-L166 HydrophobicContact CZ-CD2 3.81Å
3K90.6Very high92.9Very high139 Ų13984.5 Ų84.560%0.60441%0.41SS*.THydrogen-bonded Turntrans-57.2-41.4-171.4177.8167.4-176.9176.10113.2M1 Y161M1-K3 PolarHBondContact O-N 3.3Å; K3-Y161 WeakPolarHBondContact CB-OH 3.42Å; K3-Y161 VanDerWaalsContact CG-OH 3.3Å; K3-Y161 WeakPolarHBondContact CG-OH 3.34Å
4K90.3Very high93Very high185 Ų18581.9 Ų81.980%0.80440%0.402SS*.THydrogen-bonded Turntrans-110.715.8178.6-63.7-172.3177.2-175.70112.6F2 D6F2-K4 VanDerWaalsContact C-N 3.3Å; F2-K4 PolarHBondContact O-N 3.38Å; K4-D6 PolarHBondContact O-N 3.26Å
5F94.3Very high93.2Very high20 Ų2082.2 Ų82.29%0.08841%0.406CS..  trans-65.6126.6-176-175-87.3000110.2F2 D10 I11 C55 L61 G165 L169F2-F5 HydrophobicContact CB-CB 3.91Å; F2-F5 HydrophobicContact CD1-CB 3.88Å; F2-F5 HydrophobicContact CD1-CD1 4.4Å; F2-F5 AromaticContact CD1-CD2 3.69Å; F2-F5 HydrophobicContact CD1-CD2 3.69Å; F2-F5 HydrophobicContact CD1-CE2 4.29Å; F2-F5 AromaticContact CD1-CG 3.74Å; F2-F5 HydrophobicContact CD1-CG 3.74Å; F2-F5 HydrophobicContact CE1-CD2 4.11Å; F2-F5 HydrophobicContact CE1-CE2 4.3Å; F2-F5 HydrophobicContact CG-CB 4.43Å; F2-F5 WeakPolarHBondContact O-CB 3.44Å; F2-F5 PolarHBondContact O-N 3.31Å; F2-F5 VanDerWaalsContact O-N 3.14Å; F5-D10 WeakPolarHBondContact CA-OD2 3.29Å; F5-D10 HydrophobicContact CD2-CB 3.6Å; F5-D10 HydrophobicContact CE2-CB 3.43Å; F5-D10 VanDerWaalsContact CE2-CB 3.43Å; F5-D10 HydrophobicContact CG-CB 4.31Å; F5-D10 HydrophobicContact CZ-CB 3.99Å; F5-I11 HydrophobicContact CE1-CG1 4.49Å; F5-I11 HydrophobicContact CZ-CG1 3.99Å; F5-C55 HydrophobicContact CE2-CB 3.92Å; F5-C55 HydrophobicContact CZ-CB 4.37Å; F5-L61 HydrophobicContact CE1-CD1 4.41Å; F5-L61 HydrophobicContact CZ-CD1 3.97Å; F5-G165 VanDerWaalsContact O-CA 3.3Å; F5-G165 WeakPolarHBondContact O-CA 3.49Å; F5-L169 HydrophobicContact CE1-CD1 4.44Å; F5-L169 HydrophobicContact CE1-CD2 4.17Å
6D92.9Very high93.3Very high70 Ų7084.1 Ų84.137%0.37442%0.418SS..  trans-125.3135.9177-175.1-90000110.4K4 K8 E9 D10K4-D6 PolarHBondContact O-N 3.26Å; D6-K8 VanDerWaalsContact C-N 3.29Å; D6-K8 PolarHBondContact O-N 3.28Å; D6-K8 WeakPolarHBondContact OD1-CB 3.47Å; D6-K8 PolarHBondContact OD1-N 3.49Å; D6-E9 HydrophobicContact CB-CB 4.25Å; D6-E9 HydrophobicContact CB-CG 4.38Å; D6-E9 PolarHBondContact O-N 3.03Å; D6-E9 PolarHBondContact OD1-N 3.08Å; D6-D10 PolarHBondContact N-OD2 2.97Å; D6-D10 VanDerWaalsContact O-CB 3.3Å; D6-D10 WeakPolarHBondContact O-CB 3.14Å; D6-D10 PolarHBondContact O-N 2.88Å
7E91.6Very high93.5Very high88 Ų8879.9 Ų79.941%0.41140%0.4SS..Hα-helixtrans-58.7-39.7-176.7-172.8179.3162.500112.9I11 L169E7-I11 HydrophobicContact CB-CD1 4.48Å; E7-I11 HydrophobicContact CG-CD1 3.74Å; E7-I11 WeakPolarHBondContact O-CB 3.41Å; E7-I11 WeakPolarHBondContact O-CG1 3.38Å; E7-L169 HydrophobicContact CB-CD1 3.63Å; E7-L169 HydrophobicContact CG-CD1 3.71Å
8K91.6Very high93.6Very high189 Ų18984.2 Ų84.282%0.82242%0.416SS*.Hα-helixtrans-81.5-30.8-174.5-62.7-180179.2178.50112.4D6D6-K8 VanDerWaalsContact C-N 3.29Å; D6-K8 PolarHBondContact O-N 3.28Å; D6-K8 WeakPolarHBondContact OD1-CB 3.47Å; D6-K8 PolarHBondContact OD1-N 3.49Å
9E93.6Very high93.6Very high142 Ų14287.5 Ų87.566%0.66444%0.435SS*.Hα-helixtrans-91.1-34.4-175.9-61.1-174.1175.900112.5D6 H56D6-E9 HydrophobicContact CB-CB 4.25Å; D6-E9 HydrophobicContact CB-CG 4.38Å; D6-E9 PolarHBondContact O-N 3.03Å; D6-E9 PolarHBondContact OD1-N 3.08Å; E9-H56 PolarHBondContact O-CE1 3.44Å; E9-H56 PolarHBondContact O-ND1 2.93Å
10D95.7Very high93.6Very high35 Ų3586.6 Ų86.619%0.18744%0.438CS..Hα-helixtrans-103.1-21-169.6-65.7-59.8000114.5F5 D6 C55 H56F5-D10 WeakPolarHBondContact CA-OD2 3.29Å; F5-D10 HydrophobicContact CD2-CB 3.6Å; F5-D10 HydrophobicContact CE2-CB 3.43Å; F5-D10 VanDerWaalsContact CE2-CB 3.43Å; F5-D10 HydrophobicContact CG-CB 4.31Å; F5-D10 HydrophobicContact CZ-CB 3.99Å; D6-D10 PolarHBondContact N-OD2 2.97Å; D6-D10 VanDerWaalsContact O-CB 3.3Å; D6-D10 WeakPolarHBondContact O-CB 3.14Å; D6-D10 PolarHBondContact O-N 2.88Å; D10-C55 CarbonylContact O-C 3.43Å; D10-C55 WeakPolarHBondContact O-CA 3.48Å; D10-C55 VanDerWaalsContact O-CB 3.27Å; D10-C55 WeakPolarHBondContact O-CB 3.16Å; D10-H56 PolarHBondContact O-N 2.57Å
11I95.7Very high93.7Very high33 Ų3384 Ų8417%0.16942%0.424CS..EExtended strand (participates in β ladder)trans-83.5119.8176.8-60.4-178.4000109.6F5 E7 I53 V172F5-I11 HydrophobicContact CE1-CG1 4.49Å; F5-I11 HydrophobicContact CZ-CG1 3.99Å; E7-I11 HydrophobicContact CB-CD1 4.48Å; E7-I11 HydrophobicContact CG-CD1 3.74Å; E7-I11 WeakPolarHBondContact O-CB 3.41Å; E7-I11 WeakPolarHBondContact O-CG1 3.38Å; I11-I53 HydrophobicContact CB-CG2 4.48Å; I11-I53 HydrophobicContact CD1-CG2 4.03Å; I11-I53 HydrophobicContact CG1-CG2 4.16Å; I11-I53 HydrophobicContact CG2-CG2 3.61Å; I11-V172 HydrophobicContact CD1-CG1 3.93Å; I11-V172 HydrophobicContact CD1-CG2 4Å
12S94.9Very high94Very high69 Ų6981.9 Ų81.948%0.48342%0.416SS..EExtended strand (participates in β ladder)trans-92-43.3179.763.60000112.9K54S12-K54 PolarHBondContact N-O 3.02Å; S12-K54 WeakPolarHBondContact OG-CB 3.26Å; S12-K54 PolarHBondContact OG-O 3.2Å
13C94.1Very high94Very high50 Ų5089 Ų8934%0.33845%0.447SS..EExtended strand (participates in β ladder)trans-161.4157.1174.967.30000112.9N15 I53 K54C13-N15 PolarHBondContact SG-ND2 3.1Å; C13-I53 CarbonylContact O-C 3.49Å; C13-I53 WeakPolarHBondContact O-CA 3.37Å; C13-K54 PolarHBondContact N-O 3.15Å; C13-K54 PolarHBondContact O-N 2.96Å
14T95.2Very high94.2Very high49 Ų4985.1 Ų85.130%0.30144%0.437SS..EExtended strand (participates in β ladder)trans-122.5128.7176.7-580000109.2K51 I53T14-K51 HydrophobicContact CG2-CB 4.25Å; T14-K51 HydrophobicContact CG2-CD 3.98Å; T14-I53 HydrophobicContact CG2-CG1 3.84Å
15N95.5Very high94.4Very high86 Ų8676.3 Ų76.346%0.4640%0.399SS..EExtended strand (participates in β ladder)trans-136.5171.9178.6-65.3-81.7000110C13 K51 H52C13-N15 PolarHBondContact SG-ND2 3.1Å; N15-K51 CarbonylContact O-C 3.53Å; N15-K51 WeakPolarHBondContact O-CA 3.3Å; N15-H52 PolarHBondContact N-O 2.87Å; N15-H52 PolarHBondContact O-N 2.93Å
16N95.7Very high94.4Very high113 Ų11378 Ų7860%0.60441%0.405SS*.EExtended strand (participates in β ladder)trans-74.9136166.8-66.7-11.3000109.9V49N16-V49 HydrophobicContact CB-CG1 4.3Å
17A95.6Very high94.5Very high13 Ų1377.2 Ų77.211%0.10740%0.402CS..PPolyproline II helixtrans-65.3138.6175.300000110.2I21 V22 V50 H52A17-I21 HydrophobicContact CB-CG2 4.46Å; A17-V22 HydrophobicContact CB-CG2 4.17Å; A17-V50 HydrophobicContact CB-CB 4.03Å; A17-V50 HydrophobicContact CB-CG1 3.9Å; A17-V50 VanDerWaalsContact CB-O 3.25Å; A17-V50 WeakPolarHBondContact CB-O 3.32Å; A17-V50 PolarHBondContact N-O 3.37Å; A17-H52 HydrophobicContact CB-CB 3.99Å
18K95Very high94.5Very high157 Ų15776.4 Ų76.468%0.68340%0.396SS*.PPolyproline II helixtrans-65.6148.5173.9-64.1-177.9-179.7-179.90110.1S20 I21 V22K18-S20 PolarHBondContact O-N 3.17Å; K18-S20 VanDerWaalsContact O-N 3.07Å; K18-I21 HydrophobicContact CB-CG1 4.48Å; K18-I21 WeakPolarHBondContact O-CB 3.43Å; K18-I21 PolarHBondContact O-N 3.01Å; K18-V22 PolarHBondContact O-N 3.49Å
19N93.8Very high94.4Very high146 Ų14667.7 Ų67.778%0.78136%0.358SS*.Hα-helixtrans-53-33.5175.6-71.3-13.1000113.2V22 K23N19-V22 PolarHBondContact O-N 3.45Å; N19-K23 WeakPolarHBondContact O-CB 3.47Å; N19-K23 PolarHBondContact O-N 3.16Å
20S94.3Very high94.2Very high70 Ų7063.2 Ų63.249%0.4934%0.34SS..Hα-helixtrans-62-42.4175.554.80000112.6K18 K23 S24K18-S20 PolarHBondContact O-N 3.17Å; K18-S20 VanDerWaalsContact O-N 3.07Å; S20-K23 WeakPolarHBondContact O-CB 3.12Å; S20-K23 PolarHBondContact O-N 2.89Å; S20-S24 PolarHBondContact O-N 2.81Å; S20-S24 PolarHBondContact O-OG 3.08Å; S20-S24 VanDerWaalsContact O-OG 3.08Å
21I94.7Very high93.9Very high31 Ų3169 Ų6916%0.15937%0.366CS..Hα-helixtrans-66.5-44.3177.7-63.6-64.6000110.5A17 K18 K23 S24 L25 Y62 F79A17-I21 HydrophobicContact CB-CG2 4.46Å; K18-I21 HydrophobicContact CB-CG1 4.48Å; K18-I21 WeakPolarHBondContact O-CB 3.43Å; K18-I21 PolarHBondContact O-N 3.01Å; I21-K23 VanDerWaalsContact C-N 3.28Å; I21-K23 PolarHBondContact O-N 3.13Å; I21-S24 PolarHBondContact O-N 2.94Å; I21-S24 VanDerWaalsContact O-N 3.15Å; I21-L25 HydrophobicContact CG2-CD1 4.2Å; I21-L25 PolarHBondContact O-N 2.91Å; I21-Y62 HydrophobicContact CG2-CD1 4.02Å; I21-Y62 HydrophobicContact CG2-CE1 3.49Å; I21-Y62 VanDerWaalsContact CG2-CE1 3.49Å; I21-F79 HydrophobicContact CG2-CE1 4.33Å; I21-F79 HydrophobicContact CG2-CZ 4.25Å
22V94.9Very high93.3Very high34 Ų3469.2 Ų69.221%0.20638%0.377CS..Hα-helixtrans-60.1-41.7176.2-179.20000110.5A17 K18 N19 L25 R26 V50A17-V22 HydrophobicContact CB-CG2 4.17Å; K18-V22 PolarHBondContact O-N 3.49Å; N19-V22 PolarHBondContact O-N 3.45Å; V22-L25 PolarHBondContact O-N 3.02Å; V22-R26 WeakPolarHBondContact O-CG 3.38Å; V22-R26 PolarHBondContact O-N 3.22Å; V22-V50 HydrophobicContact CG2-CB 4.06Å; V22-V50 HydrophobicContact CG2-CG2 4.09Å
23K94.4Very high93Very high151 Ų15168.8 Ų68.866%0.65737%0.365SS*.Hα-helixtrans-61.1-46.9174-173.2178.8178-177.50111.5N19 S20 I21 L25 R26 T27N19-K23 WeakPolarHBondContact O-CB 3.47Å; N19-K23 PolarHBondContact O-N 3.16Å; S20-K23 WeakPolarHBondContact O-CB 3.12Å; S20-K23 PolarHBondContact O-N 2.89Å; I21-K23 VanDerWaalsContact C-N 3.28Å; I21-K23 PolarHBondContact O-N 3.13Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 3.39Å; K23-R26 PolarHBondContact O-N 3.3Å; K23-T27 PolarHBondContact O-N 2.86Å; K23-T27 PolarHBondContact O-OG1 3.22Å
24S95.2Very high92.6Very high57 Ų5769.5 Ų69.540%0.39938%0.381SS..Hα-helixtrans-63-37.3177.9-61.30000113S20 I21 T27 R28S20-S24 PolarHBondContact O-N 2.81Å; S20-S24 PolarHBondContact O-OG 3.08Å; S20-S24 VanDerWaalsContact O-OG 3.08Å; I21-S24 PolarHBondContact O-N 2.94Å; I21-S24 VanDerWaalsContact O-N 3.15Å; S24-T27 PolarHBondContact O-N 3.24Å; S24-R28 WeakPolarHBondContact O-CB 3.35Å; S24-R28 PolarHBondContact O-N 3.47Å
25L94.7Very high92.1Very high0 Ų069.2 Ų69.20%038%0.378CS..Hα-helixtrans-62.1-45.2173.2-82.3166.7000111.5I21 V22 K23 R28 L29 L44 V50 Y62 F71 F79I21-L25 HydrophobicContact CG2-CD1 4.2Å; I21-L25 PolarHBondContact O-N 2.91Å; V22-L25 PolarHBondContact O-N 3.02Å; K23-L25 VanDerWaalsContact C-N 3.34Å; K23-L25 PolarHBondContact O-N 3.39Å; L25-R28 PolarHBondContact O-N 3.36Å; L25-L29 PolarHBondContact O-N 3.3Å; L25-L44 HydrophobicContact CB-CD1 3.83Å; L25-V50 HydrophobicContact CD1-CG1 4.45Å; L25-Y62 HydrophobicContact CD1-CD1 4.41Å; L25-Y62 HydrophobicContact CD1-CG 4.19Å; L25-F71 HydrophobicContact CD2-CB 3.89Å; L25-F71 HydrophobicContact CD2-CD1 4.11Å; L25-F71 HydrophobicContact CD2-CD2 3.72Å; L25-F71 HydrophobicContact CD2-CE2 4.31Å; L25-F71 HydrophobicContact CD2-CG 3.62Å; L25-F79 HydrophobicContact CD2-CB 3.8Å; L25-F79 HydrophobicContact CD2-CD1 3.47Å; L25-F79 VanDerWaalsContact CD2-CD1 3.47Å; L25-F79 HydrophobicContact CD2-CD2 3.96Å; L25-F79 HydrophobicContact CD2-CE1 3.97Å; L25-F79 HydrophobicContact CD2-CE2 4.41Å; L25-F79 HydrophobicContact CD2-CG 3.46Å; L25-F79 VanDerWaalsContact CD2-CG 3.46Å; L25-F79 HydrophobicContact CD2-CZ 4.41Å; L25-F79 HydrophobicContact CG-CD1 4.1Å; L25-F79 HydrophobicContact CG-CD2 4.34Å; L25-F79 HydrophobicContact CG-CE1 4.07Å; L25-F79 HydrophobicContact CG-CE2 4.33Å; L25-F79 HydrophobicContact CG-CG 4.23Å; L25-F79 HydrophobicContact CG-CZ 4.19Å
26R94Very high91.8Very high56 Ų5669 Ų6921%0.21138%0.377CS..Hα-helixtrans-63.2-46.1176.6-66.9179.481.194.48.6111.7V22 K23 R28 L29 T30 V40 D41 L44V22-R26 WeakPolarHBondContact O-CG 3.38Å; V22-R26 PolarHBondContact O-N 3.22Å; K23-R26 PolarHBondContact O-N 3.3Å; R26-R28 VanDerWaalsContact C-N 3.28Å; R26-R28 PolarHBondContact O-N 3.09Å; R26-L29 WeakPolarHBondContact O-CB 3.3Å; R26-L29 PolarHBondContact O-N 2.9Å; R26-T30 PolarHBondContact O-N 2.84Å; R26-T30 PolarHBondContact O-OG1 3.31Å; R26-T30 VanDerWaalsContact O-OG1 3.14Å; R26-V40 HydrophobicContact CB-CG1 4.37Å; R26-V40 HydrophobicContact CG-CG1 4.16Å; R26-D41 IonicContact CZ-OD1 3.58Å; R26-D41 IonicContact NH1-OD1 3.66Å; R26-D41 IonicContact NH2-OD1 2.64Å; R26-D41 PolarHBondContact NH2-OD1 2.74Å; R26-L44 HydrophobicContact CG-CD1 3.95Å; R26-L44 PolarHBondContact NH1-O 3Å
27T94.2Very high91.5Very high52 Ų5267.6 Ų67.632%0.31938%0.375SS..Hα-helixtrans-57.3-42.7173.4-66.40000111.2K23 S24 L29 T30 E31K23-T27 PolarHBondContact O-N 2.86Å; K23-T27 PolarHBondContact O-OG1 3.22Å; S24-T27 PolarHBondContact O-N 3.24Å; T27-L29 PolarHBondContact O-N 2.83Å; T27-T30 PolarHBondContact O-N 2.92Å; T27-T30 PolarHBondContact O-OG1 3.14Å; T27-E31 HydrophobicContact CG2-CB 4.48Å; T27-E31 HydrophobicContact CG2-CG 4.36Å; T27-E31 WeakPolarHBondContact CG2-OE2 3.16Å; T27-E31 WeakPolarHBondContact O-CB 3.31Å; T27-E31 PolarHBondContact O-N 3.25Å
28R91.7Very high91.2Very high72 Ų7275 Ų7527%0.27241%0.405SS..Iπ-helixtrans-62.9-42.6177.7-177.760.9177.2177.73.2112S24 L25 R26 G32 Y33 F79S24-R28 WeakPolarHBondContact O-CB 3.35Å; S24-R28 PolarHBondContact O-N 3.47Å; L25-R28 PolarHBondContact O-N 3.36Å; R26-R28 VanDerWaalsContact C-N 3.28Å; R26-R28 PolarHBondContact O-N 3.09Å; R28-G32 CarbonylContact O-C 3.45Å; R28-G32 WeakPolarHBondContact O-CA 3.45Å; R28-G32 PolarHBondContact O-N 2.98Å; R28-Y33 HydrophobicContact CG-CD2 4.24Å; R28-Y33 HydrophobicContact CG-CE2 3.88Å; R28-Y33 PolarHBondContact O-N 2.7Å; R28-F79 HydrophobicContact CB-CD2 4.15Å; R28-F79 HydrophobicContact CG-CB 4.21Å; R28-F79 HydrophobicContact CG-CD2 4.39Å
29L89.1Confident90.8Very high5 Ų570.1 Ų70.13%0.02639%0.385CS..Iπ-helixtrans-61.9-48.2175.7-78.5170.2000111.9L25 R26 T27 Y33 G34 I35 V40 I43 L44 F71L25-L29 PolarHBondContact O-N 3.3Å; R26-L29 WeakPolarHBondContact O-CB 3.3Å; R26-L29 PolarHBondContact O-N 2.9Å; T27-L29 PolarHBondContact O-N 2.83Å; L29-Y33 HydrophobicContact CD2-CD2 4.25Å; L29-Y33 CarbonylContact O-C 3.51Å; L29-Y33 WeakPolarHBondContact O-CB 3.38Å; L29-Y33 PolarHBondContact O-N 2.83Å; L29-G34 PolarHBondContact O-N 3.44Å; L29-I35 HydrophobicContact CB-CB 4.43Å; L29-I35 HydrophobicContact CD2-CG1 4.21Å; L29-I35 VanDerWaalsContact O-CB 3.31Å; L29-I35 WeakPolarHBondContact O-CB 3.27Å; L29-I35 WeakPolarHBondContact O-CG1 3.09Å; L29-I35 PolarHBondContact O-N 3.45Å; L29-V40 HydrophobicContact CB-CG1 4.47Å; L29-V40 HydrophobicContact CB-CG2 3.68Å; L29-V40 HydrophobicContact CD1-CG1 3.98Å; L29-V40 HydrophobicContact CD1-CG2 4.19Å; L29-I43 HydrophobicContact CD1-CB 4.37Å; L29-I43 HydrophobicContact CD1-CD1 4.48Å; L29-I43 HydrophobicContact CD1-CG2 4.11Å; L29-I43 HydrophobicContact CD2-CD1 4.08Å; L29-L44 HydrophobicContact CD1-CD1 3.77Å; L29-L44 HydrophobicContact CD1-CG 4.33Å; L29-F71 HydrophobicContact CD1-CE2 4.49Å; L29-F71 HydrophobicContact CD1-CZ 3.95Å; L29-F71 HydrophobicContact CD2-CE1 4.05Å; L29-F71 HydrophobicContact CD2-CZ 3.7Å; L29-F71 HydrophobicContact CG-CE1 4.43Å; L29-F71 HydrophobicContact CG-CZ 3.95Å
30T90Very high90.7Very high48 Ų4863.2 Ų63.229%0.29435%0.349SS..Iπ-helixtrans-75.7-54.7-175.654.40000112.8R26 T27 G34 V40R26-T30 PolarHBondContact O-N 2.84Å; R26-T30 PolarHBondContact O-OG1 3.31Å; R26-T30 VanDerWaalsContact O-OG1 3.14Å; T27-T30 PolarHBondContact O-N 2.92Å; T27-T30 PolarHBondContact O-OG1 3.14Å; T30-G34 WeakPolarHBondContact O-CA 3.37Å; T30-G34 PolarHBondContact O-N 3.1Å; T30-G34 VanDerWaalsContact O-N 3.15Å; T30-V40 HydrophobicContact CG2-CG2 3.8Å
31E89Confident90.6Very high156 Ų15662.7 Ų62.773%0.72934%0.34SS*.Iπ-helixtrans-87.5-36.4-172.2-63.9172.7-158.300111.9T27T27-E31 HydrophobicContact CG2-CB 4.48Å; T27-E31 HydrophobicContact CG2-CG 4.36Å; T27-E31 WeakPolarHBondContact CG2-OE2 3.16Å; T27-E31 WeakPolarHBondContact O-CB 3.31Å; T27-E31 PolarHBondContact O-N 3.25Å
32G84.2Confident90.4Very high39 Ų3967.4 Ų67.440%0.40236%0.362SS..Iπ-helixtrans-83.5-38.3-178.100000113.7R28R28-G32 CarbonylContact O-C 3.45Å; R28-G32 WeakPolarHBondContact O-CA 3.45Å; R28-G32 PolarHBondContact O-N 2.98Å
33Y87.3Confident90.2Very high59 Ų5966.5 Ų66.523%0.23136%0.356CS..THydrogen-bonded Turntrans-110.3-2.4-177.4-62.1-39.9000114.2R28 L29 I35 F79 P81 V123R28-Y33 HydrophobicContact CG-CD2 4.24Å; R28-Y33 HydrophobicContact CG-CE2 3.88Å; R28-Y33 PolarHBondContact O-N 2.7Å; L29-Y33 HydrophobicContact CD2-CD2 4.25Å; L29-Y33 CarbonylContact O-C 3.51Å; L29-Y33 WeakPolarHBondContact O-CB 3.38Å; L29-Y33 PolarHBondContact O-N 2.83Å; Y33-I35 PolarHBondContact O-N 2.73Å; Y33-F79 PolarHBondContact OH-O 3Å; Y33-P81 WeakPolarHBondContact OH-CD 3.42Å; Y33-V123 HydrophobicContact CE1-CB 4.2Å; Y33-V123 HydrophobicContact CE1-CG1 4.5Å; Y33-V123 WeakPolarHBondContact OH-CG1 3.46Å
34G85.2Confident90.1Very high66 Ų6659.5 Ų59.568%0.6833%0.325SS*.  trans66.721177.200000114.1L29 T30L29-G34 PolarHBondContact O-N 3.44Å; T30-G34 WeakPolarHBondContact O-CA 3.37Å; T30-G34 PolarHBondContact O-N 3.1Å; T30-G34 VanDerWaalsContact O-N 3.15Å
35I86.3Confident90Very high43 Ų4359.5 Ų59.522%0.22132%0.324CS..  trans-78128.5-178.6-56.6-53.3000109L29 Y33 M39 V40 I43L29-I35 HydrophobicContact CB-CB 4.43Å; L29-I35 HydrophobicContact CD2-CG1 4.21Å; L29-I35 VanDerWaalsContact O-CB 3.31Å; L29-I35 WeakPolarHBondContact O-CB 3.27Å; L29-I35 WeakPolarHBondContact O-CG1 3.09Å; L29-I35 PolarHBondContact O-N 3.45Å; Y33-I35 PolarHBondContact O-N 2.73Å; I35-M39 HydrophobicContact CD1-CE 4.19Å; I35-M39 HydrophobicContact CG2-CB 3.79Å; I35-M39 HydrophobicContact CG2-CE 3.74Å; I35-M39 HydrophobicContact CG2-CG 3.63Å; I35-M39 HydrophobicContact CG2-SD 4.1Å; I35-V40 HydrophobicContact CB-CG2 4.04Å; I35-V40 HydrophobicContact CG2-CG2 3.63Å; I35-I43 HydrophobicContact CG2-CD1 4.27Å
36D89Confident89.6Confident82 Ų8267.2 Ų67.244%0.43936%0.357SS..  trans-65.9153.1179.975.682.1000112.3K38 M39 V40D36-K38 PolarHBondContact O-N 3.37Å; D36-K38 VanDerWaalsContact O-N 3.11Å; D36-K38 WeakPolarHBondContact OD1-CA 3.5Å; D36-K38 VanDerWaalsContact OD1-CB 3.26Å; D36-K38 WeakPolarHBondContact OD1-CB 3.45Å; D36-K38 PolarHBondContact OD1-N 3.43Å; D36-M39 PolarHBondContact O-N 2.78Å; D36-M39 VanDerWaalsContact O-N 3.11Å; D36-M39 PolarHBondContact OD1-N 2.81Å; D36-M39 WeakPolarHBondContact OD2-CE 3.31Å; D36-V40 WeakPolarHBondContact O-CG2 3.38Å; D36-V40 PolarHBondContact O-N 3.23Å
37S88.7Confident89.2Confident83 Ų8374.6 Ų74.658%0.5839%0.391SS*.Hα-helixtrans-57.5-30.3-175.2-580000114.4D41S37-D41 PolarHBondContact O-N 3.11Å
38K89.6Confident88.8Confident167 Ų16774.4 Ų74.473%0.72639%0.388SS*.Hα-helixtrans-72.3-42.1179.9-61.3178.8178.8176.10110.3D36 D41 Q42D36-K38 PolarHBondContact O-N 3.37Å; D36-K38 VanDerWaalsContact O-N 3.11Å; D36-K38 WeakPolarHBondContact OD1-CA 3.5Å; D36-K38 VanDerWaalsContact OD1-CB 3.26Å; D36-K38 WeakPolarHBondContact OD1-CB 3.45Å; D36-K38 PolarHBondContact OD1-N 3.43Å; K38-D41 PolarHBondContact O-N 3.26Å; K38-Q42 PolarHBondContact O-N 3.21Å
39M87.5Confident88.8Confident55 Ų5574.6 Ų74.627%0.27140%0.397SS..Hα-helixtrans-67.9-37.3174.5-179.6163.831.100111.3I35 D36 D41 Q42 I43 F89I35-M39 HydrophobicContact CD1-CE 4.19Å; I35-M39 HydrophobicContact CG2-CB 3.79Å; I35-M39 HydrophobicContact CG2-CE 3.74Å; I35-M39 HydrophobicContact CG2-CG 3.63Å; I35-M39 HydrophobicContact CG2-SD 4.1Å; D36-M39 PolarHBondContact O-N 2.78Å; D36-M39 VanDerWaalsContact O-N 3.11Å; D36-M39 PolarHBondContact OD1-N 2.81Å; D36-M39 WeakPolarHBondContact OD2-CE 3.31Å; M39-D41 VanDerWaalsContact C-N 3.29Å; M39-D41 PolarHBondContact O-N 2.81Å; M39-Q42 WeakPolarHBondContact O-CB 3.24Å; M39-Q42 PolarHBondContact O-N 3.02Å; M39-I43 HydrophobicContact CG-CD1 4.06Å; M39-I43 WeakPolarHBondContact O-CG1 3.4Å; M39-I43 PolarHBondContact O-N 2.87Å; M39-F89 HydrophobicContact CG-CD1 4.45Å; M39-F89 HydrophobicContact SD-CD1 4.46Å
40V91Very high89.1Confident2 Ų274.9 Ų74.91%0.01240%0.399CS..Hα-helixtrans-59.9-39.3171.6175.70000112R26 L29 T30 I35 D36 Q42 I43 L44R26-V40 HydrophobicContact CB-CG1 4.37Å; R26-V40 HydrophobicContact CG-CG1 4.16Å; L29-V40 HydrophobicContact CB-CG1 4.47Å; L29-V40 HydrophobicContact CB-CG2 3.68Å; L29-V40 HydrophobicContact CD1-CG1 3.98Å; L29-V40 HydrophobicContact CD1-CG2 4.19Å; T30-V40 HydrophobicContact CG2-CG2 3.8Å; I35-V40 HydrophobicContact CB-CG2 4.04Å; I35-V40 HydrophobicContact CG2-CG2 3.63Å; D36-V40 WeakPolarHBondContact O-CG2 3.38Å; D36-V40 PolarHBondContact O-N 3.23Å; V40-Q42 PolarHBondContact O-N 3.4Å; V40-I43 PolarHBondContact O-N 2.83Å; V40-L44 PolarHBondContact O-N 3.2Å
41D92.6Very high89.4Confident58 Ų5874.1 Ų74.131%0.3139%0.391SS..Hα-helixtrans-67.4-22.8175.2-82-26.6000113.3R26 S37 K38 M39 P45 K46R26-D41 IonicContact CZ-OD1 3.58Å; R26-D41 IonicContact NH1-OD1 3.66Å; R26-D41 IonicContact NH2-OD1 2.64Å; R26-D41 PolarHBondContact NH2-OD1 2.74Å; S37-D41 PolarHBondContact O-N 3.11Å; K38-D41 PolarHBondContact O-N 3.26Å; M39-D41 VanDerWaalsContact C-N 3.29Å; M39-D41 PolarHBondContact O-N 2.81Å; D41-P45 VanDerWaalsContact O-CA 3.28Å; D41-P45 WeakPolarHBondContact O-CA 3.31Å; D41-K46 VanDerWaalsContact OD1-CE 3.26Å; D41-K46 WeakPolarHBondContact OD1-CE 3.46Å; D41-K46 IonicContact OD2-NZ 3.92Å
42Q90.7Very high89.8Confident131 Ų13168 Ų6861%0.61236%0.363SS*.Hα-helixtrans-80.4-37.1172-66.3177.130.500112.4K38 M39 V40 F89K38-Q42 PolarHBondContact O-N 3.21Å; M39-Q42 WeakPolarHBondContact O-CB 3.24Å; M39-Q42 PolarHBondContact O-N 3.02Å; V40-Q42 PolarHBondContact O-N 3.4Å; Q42-F89 HydrophobicContact CB-CE1 4.08Å; Q42-F89 HydrophobicContact CB-CZ 4.23Å
43I90.8Very high90.4Very high15 Ų1566.2 Ų66.28%0.07734%0.344CS..Hα-helixtrans-74.7-43.2178-61.9166.6000110.8L29 I35 M39 V40 M70 F71 L85 F89L29-I43 HydrophobicContact CD1-CB 4.37Å; L29-I43 HydrophobicContact CD1-CD1 4.48Å; L29-I43 HydrophobicContact CD1-CG2 4.11Å; L29-I43 HydrophobicContact CD2-CD1 4.08Å; I35-I43 HydrophobicContact CG2-CD1 4.27Å; M39-I43 HydrophobicContact CG-CD1 4.06Å; M39-I43 WeakPolarHBondContact O-CG1 3.4Å; M39-I43 PolarHBondContact O-N 2.87Å; V40-I43 PolarHBondContact O-N 2.83Å; I43-M70 HydrophobicContact CG2-SD 4.5Å; I43-F71 HydrophobicContact CG2-CE2 3.95Å; I43-F71 HydrophobicContact CG2-CZ 4.03Å; I43-L85 HydrophobicContact CG1-CD1 4.3Å; I43-L85 HydrophobicContact CG2-CD1 3.78Å; I43-L85 HydrophobicContact CG2-CD2 4.05Å; I43-F89 HydrophobicContact CB-CZ 4.48Å; I43-F89 HydrophobicContact CD1-CE2 4.47Å; I43-F89 HydrophobicContact CG1-CD2 4.16Å; I43-F89 HydrophobicContact CG1-CE1 4.1Å; I43-F89 HydrophobicContact CG1-CE2 3.56Å; I43-F89 HydrophobicContact CG1-CZ 3.52Å
44L92.2Very high90.9Very high4 Ų467.9 Ų67.92%0.02135%0.353CS..SBendtrans-127.680.5-179.3-70.6172.4000109.7L25 R26 L29 V40 K46 V50 M70L25-L44 HydrophobicContact CB-CD1 3.83Å; R26-L44 HydrophobicContact CG-CD1 3.95Å; R26-L44 PolarHBondContact NH1-O 3Å; L29-L44 HydrophobicContact CD1-CD1 3.77Å; L29-L44 HydrophobicContact CD1-CG 4.33Å; V40-L44 PolarHBondContact O-N 3.2Å; L44-K46 PolarHBondContact O-N 3.25Å; L44-V50 HydrophobicContact CD2-CG2 3.79Å; L44-M70 HydrophobicContact CD2-CE 3.48Å; L44-M70 VanDerWaalsContact CD2-CE 3.48Å; L44-M70 HydrophobicContact CD2-SD 4.09Å
45P91.5Very high91.4Very high56 Ų5665.3 Ų65.336%0.36432%0.324SS..  trans-60.9136.2177.4-17.929.8000110.9D41 K47 D48D41-P45 VanDerWaalsContact O-CA 3.28Å; D41-P45 WeakPolarHBondContact O-CA 3.31Å; P45-K47 PolarHBondContact O-N 3.19Å; P45-K47 VanDerWaalsContact O-N 3.09Å; P45-D48 HydrophobicContact CB-CB 4.06Å; P45-D48 HydrophobicContact CG-CB 4.29Å; P45-D48 WeakPolarHBondContact O-CB 3.13Å; P45-D48 PolarHBondContact O-N 2.76Å
46K86.2Confident91.8Very high162 Ų16267.9 Ų67.970%0.70434%0.335SS*.THydrogen-bonded Turntrans-61.5-23.7-173-66.1177.3-175.71670115D41 L44D41-K46 VanDerWaalsContact OD1-CE 3.26Å; D41-K46 WeakPolarHBondContact OD1-CE 3.46Å; D41-K46 IonicContact OD2-NZ 3.92Å; L44-K46 PolarHBondContact O-N 3.25Å
47K85.7Confident92Very high211 Ų21170.9 Ų70.992%0.91735%0.346SS*.THydrogen-bonded Turntrans-89.8-10.2178.8-67-177.1177.5-179.70112.7P45P45-K47 PolarHBondContact O-N 3.19Å; P45-K47 VanDerWaalsContact O-N 3.09Å
48D87.4Confident92.3Very high48 Ų4872.2 Ų72.226%0.25734%0.343SS..SBendtrans-82.7144.4-170.9-154.524000111.3P45 S65P45-D48 HydrophobicContact CB-CB 4.06Å; P45-D48 HydrophobicContact CG-CB 4.29Å; P45-D48 WeakPolarHBondContact O-CB 3.13Å; P45-D48 PolarHBondContact O-N 2.76Å; D48-S65 WeakPolarHBondContact OD1-CB 3.46Å; D48-S65 PolarHBondContact OD1-OG 3.05Å
49V91.3Very high92.7Very high76 Ų7664.6 Ų64.646%0.46131%0.31SS..  trans-94104.5180-179.10000108.4N16 K51N16-V49 HydrophobicContact CB-CG1 4.3Å; V49-K51 PolarHBondContact O-N 3.48Å
50V95.9Very high93.1Very high11 Ų1163.1 Ų63.17%0.06730%0.304CS..  trans-72.4126.5173-178.60000108.9A17 V22 L25 L44 S63 M70A17-V50 HydrophobicContact CB-CB 4.03Å; A17-V50 HydrophobicContact CB-CG1 3.9Å; A17-V50 VanDerWaalsContact CB-O 3.25Å; A17-V50 WeakPolarHBondContact CB-O 3.32Å; A17-V50 PolarHBondContact N-O 3.37Å; V22-V50 HydrophobicContact CG2-CB 4.06Å; V22-V50 HydrophobicContact CG2-CG2 4.09Å; L25-V50 HydrophobicContact CD1-CG1 4.45Å; L44-V50 HydrophobicContact CD2-CG2 3.79Å; V50-S63 WeakPolarHBondContact CA-O 3.18Å; V50-M70 HydrophobicContact CG2-CE 4.48Å
51K96.3Very high93.5Very high32 Ų3263 Ų6314%0.13930%0.303CS..EExtended strand (participates in β ladder)trans-87.8143.7170.9-60.6-178.5-177.3174.30110.3T14 N15 V49 Y62 S63 R173T14-K51 HydrophobicContact CG2-CB 4.25Å; T14-K51 HydrophobicContact CG2-CD 3.98Å; N15-K51 CarbonylContact O-C 3.53Å; N15-K51 WeakPolarHBondContact O-CA 3.3Å; V49-K51 PolarHBondContact O-N 3.48Å; K51-Y62 VanDerWaalsContact O-CA 3.27Å; K51-Y62 WeakPolarHBondContact O-CA 3.3Å; K51-S63 WeakPolarHBondContact CB-OG 3.14Å; K51-S63 PolarHBondContact N-O 3.06Å; K51-S63 PolarHBondContact O-N 2.74Å; K51-R173 PolarHBondContact NZ-OXT 3.09Å
52H96.9Very high93.7Very high29 Ų2960.2 Ų60.213%0.13429%0.288CS..EExtended strand (participates in β ladder)trans-108.9112.4169177.7-164.9000108.3N15 A17 D60 Y62N15-H52 PolarHBondContact N-O 2.87Å; N15-H52 PolarHBondContact O-N 2.93Å; A17-H52 HydrophobicContact CB-CB 3.99Å; H52-D60 IonicContact CD2-OD1 3.09Å; H52-D60 IonicContact CE1-OD1 2.77Å; H52-D60 VanDerWaalsContact NE2-CG 3.32Å; H52-D60 IonicContact NE2-OD1 3.44Å; H52-D60 PolarHBondContact NE2-OD1 2.88Å; H52-Y62 HydrophobicContact CB-CD1 4.23Å; H52-Y62 HydrophobicContact CB-CE1 4.05Å; H52-Y62 AromaticContact CD2-CE1 3.49Å; H52-Y62 VanDerWaalsContact CD2-CE1 3.49Å; H52-Y62 WeakPolarHBondContact CD2-CE1 3.49Å; H52-Y62 AromaticContact CD2-CZ 4Å; H52-Y62 AromaticContact CG-CE1 3.74Å
53I97Very high93.9Very high0 Ų054 Ų540%026%0.259CS..EExtended strand (participates in β ladder)trans-106.5115.2-178.1-55.8147.4000107.4I11 C13 T14 L61 V69 V172I11-I53 HydrophobicContact CB-CG2 4.48Å; I11-I53 HydrophobicContact CD1-CG2 4.03Å; I11-I53 HydrophobicContact CG1-CG2 4.16Å; I11-I53 HydrophobicContact CG2-CG2 3.61Å; C13-I53 CarbonylContact O-C 3.49Å; C13-I53 WeakPolarHBondContact O-CA 3.37Å; T14-I53 HydrophobicContact CG2-CG1 3.84Å; I53-L61 HydrophobicContact CB-CB 4.1Å; I53-L61 HydrophobicContact CD1-CB 4.19Å; I53-L61 PolarHBondContact N-O 2.89Å; I53-L61 PolarHBondContact O-N 2.9Å; I53-V69 HydrophobicContact CD1-CG2 4.44Å; I53-V172 HydrophobicContact CD1-CB 3.64Å; I53-V172 HydrophobicContact CD1-CG1 3.74Å; I53-V172 HydrophobicContact CD1-CG2 4.06Å; I53-V172 HydrophobicContact CG1-CB 4.43Å; I53-V172 HydrophobicContact CG1-CG1 3.98Å; I53-V172 HydrophobicContact CG2-CG1 4.22Å
54K96.5Very high94.1Very high95 Ų9553.9 Ų53.941%0.41326%0.259SS..EExtended strand (participates in β ladder)trans-89130.3177.6-66-171179-178.50109.9S12 C13S12-K54 PolarHBondContact N-O 3.02Å; S12-K54 WeakPolarHBondContact OG-CB 3.26Å; S12-K54 PolarHBondContact OG-O 3.2Å; C13-K54 PolarHBondContact N-O 3.15Å; C13-K54 PolarHBondContact O-N 2.96Å
55C96.8Very high94Very high12 Ų1256.5 Ų56.58%0.08128%0.277CS..EExtended strand (participates in β ladder)trans-119.5169178.8-48.80000111.3F5 D10 V59F5-C55 HydrophobicContact CE2-CB 3.92Å; F5-C55 HydrophobicContact CZ-CB 4.37Å; D10-C55 CarbonylContact O-C 3.43Å; D10-C55 WeakPolarHBondContact O-CA 3.48Å; D10-C55 VanDerWaalsContact O-CB 3.27Å; D10-C55 WeakPolarHBondContact O-CB 3.16Å; C55-V59 WeakPolarHBondContact CA-O 3.38Å; C55-V59 HydrophobicContact CB-CB 4.08Å; C55-V59 HydrophobicContact CB-CG1 4.47Å; C55-V59 VanDerWaalsContact CB-O 3.25Å; C55-V59 WeakPolarHBondContact CB-O 3.1Å; C55-V59 PolarHBondContact N-O 2.9Å
56H94.9Very high93.9Very high97 Ų9759.5 Ų59.545%0.44929%0.29SS..SBendtrans-61.9170.9169.4-63.5165.6000112E9 D10 H58 V59E9-H56 PolarHBondContact O-CE1 3.44Å; E9-H56 PolarHBondContact O-ND1 2.93Å; D10-H56 PolarHBondContact O-N 2.57Å; H56-H58 PolarHBondContact O-N 3.3Å; H56-H58 VanDerWaalsContact O-N 3.08Å; H56-V59 PolarHBondContact O-N 2.76Å; H56-V59 VanDerWaalsContact O-N 3.14Å
57E93.4Very high94.2Very high145 Ų14551.8 Ų51.868%0.67826%0.257SS*.THydrogen-bonded Turntrans56.827.5179-62.2-59.8129.400114.5V59 Q74E57-V59 VanDerWaalsContact C-N 3.28Å; E57-V59 PolarHBondContact O-N 2.99Å; E57-Q74 PolarHBondContact O-NE2 3.34Å
58H94.9Very high94.6Very high110 Ų11044.5 Ų44.551%0.50923%0.226SC..THydrogen-bonded Turntrans56.138.7-177-53.7-85.2000113.3H56 Q74 R75H56-H58 PolarHBondContact O-N 3.3Å; H56-H58 VanDerWaalsContact O-N 3.08Å; H58-Q74 CarbonylContact O-C 3.55Å; H58-Q74 WeakPolarHBondContact O-CA 3.42Å; H58-R75 HydrophobicContact CB-CB 4.49Å; H58-R75 HydrophobicContact CB-CG 3.51Å; H58-R75 PolarHBondContact CD2-NH1 3.35Å; H58-R75 PolarHBondContact CD2-NH2 3.31Å; H58-R75 PolarHBondContact NE2-NH1 2.91Å; H58-R75 PolarHBondContact NE2-NH2 3.41Å; H58-R75 PolarHBondContact O-N 2.85Å
59V97Very high95Very high7 Ų742.8 Ų42.84%0.04222%0.217CC..EExtended strand (participates in β ladder)trans-97.7129.9174.61780000109.9M1 F2 C55 H56 E57 L61 R73 Q74M1-V59 HydrophobicContact CG-CG2 4.25Å; M1-V59 HydrophobicContact SD-CG2 3.98Å; F2-V59 HydrophobicContact CE1-CG1 3.69Å; F2-V59 HydrophobicContact CZ-CG1 3.71Å; C55-V59 WeakPolarHBondContact CA-O 3.38Å; C55-V59 HydrophobicContact CB-CB 4.08Å; C55-V59 HydrophobicContact CB-CG1 4.47Å; C55-V59 VanDerWaalsContact CB-O 3.25Å; C55-V59 WeakPolarHBondContact CB-O 3.1Å; C55-V59 PolarHBondContact N-O 2.9Å; H56-V59 PolarHBondContact O-N 2.76Å; H56-V59 VanDerWaalsContact O-N 3.14Å; E57-V59 VanDerWaalsContact C-N 3.28Å; E57-V59 PolarHBondContact O-N 2.99Å; V59-L61 HydrophobicContact CG1-CD2 3.87Å; V59-R73 WeakPolarHBondContact CA-O 3.39Å; V59-Q74 HydrophobicContact CG2-CG 4.33Å
60D97.1Very high95.2Very high24 Ų2439.6 Ų39.613%0.12820%0.197CC..EExtended strand (participates in β ladder)trans-109.4133.2170.3-65.7-59.6000108.7H52 Y62 F72 R73H52-D60 IonicContact CD2-OD1 3.09Å; H52-D60 IonicContact CE1-OD1 2.77Å; H52-D60 VanDerWaalsContact NE2-CG 3.32Å; H52-D60 IonicContact NE2-OD1 3.44Å; H52-D60 PolarHBondContact NE2-OD1 2.88Å; D60-Y62 HydrophobicContact CB-CE2 4Å; D60-F72 CarbonylContact O-C 3.46Å; D60-F72 WeakPolarHBondContact O-CA 3.36Å; D60-F72 WeakPolarHBondContact O-CB 3.26Å; D60-R73 PolarHBondContact N-O 3.14Å; D60-R73 PolarHBondContact O-N 2.94Å; D60-R73 IonicContact OD2-NE 3.44Å; D60-R73 IonicContact OD2-NH2 3.45Å; D60-R73 PolarHBondContact OD2-NH2 3.48Å
61L97.7Very high95.3Very high0 Ų039.1 Ų39.10%019%0.194CC..EExtended strand (participates in β ladder)trans-110.8150.5169-43.9175.6000109.9F2 F5 I53 V59 V69 F72 L166 L169F2-L61 HydrophobicContact CE1-CD2 3.94Å; F2-L61 HydrophobicContact CZ-CD2 3.96Å; F5-L61 HydrophobicContact CE1-CD1 4.41Å; F5-L61 HydrophobicContact CZ-CD1 3.97Å; I53-L61 HydrophobicContact CB-CB 4.1Å; I53-L61 HydrophobicContact CD1-CB 4.19Å; I53-L61 PolarHBondContact N-O 2.89Å; I53-L61 PolarHBondContact O-N 2.9Å; V59-L61 HydrophobicContact CG1-CD2 3.87Å; L61-V69 HydrophobicContact CB-CG1 3.98Å; L61-V69 HydrophobicContact CB-CG2 4.34Å; L61-V69 HydrophobicContact CD1-CG2 4.28Å; L61-V69 HydrophobicContact CD2-CG1 4.49Å; L61-F72 HydrophobicContact CD2-CB 3.49Å; L61-F72 VanDerWaalsContact CD2-CB 3.49Å; L61-L166 HydrophobicContact CD1-CD1 4.08Å; L61-L166 HydrophobicContact CD2-CD1 4.1Å; L61-L169 HydrophobicContact CD1-CD2 3.96Å
62Y97.1Very high95.3Very high0 Ų037.6 Ų37.60%019%0.188CC..EExtended strand (participates in β ladder)trans-129.1116.7176.9-55.1-78.9000109.6I21 L25 K51 H52 D60 M70 F71 R73 F79I21-Y62 HydrophobicContact CG2-CD1 4.02Å; I21-Y62 HydrophobicContact CG2-CE1 3.49Å; I21-Y62 VanDerWaalsContact CG2-CE1 3.49Å; L25-Y62 HydrophobicContact CD1-CD1 4.41Å; L25-Y62 HydrophobicContact CD1-CG 4.19Å; K51-Y62 VanDerWaalsContact O-CA 3.27Å; K51-Y62 WeakPolarHBondContact O-CA 3.3Å; H52-Y62 HydrophobicContact CB-CD1 4.23Å; H52-Y62 HydrophobicContact CB-CE1 4.05Å; H52-Y62 AromaticContact CD2-CE1 3.49Å; H52-Y62 VanDerWaalsContact CD2-CE1 3.49Å; H52-Y62 WeakPolarHBondContact CD2-CE1 3.49Å; H52-Y62 AromaticContact CD2-CZ 4Å; H52-Y62 AromaticContact CG-CE1 3.74Å; D60-Y62 HydrophobicContact CB-CE2 4Å; Y62-M70 PolarHBondContact O-N 2.69Å; Y62-F71 HydrophobicContact CD2-CB 4.15Å; Y62-F71 PolarHBondContact N-O 3.19Å; Y62-F71 PolarHBondContact O-N 3.26Å; Y62-F71 VanDerWaalsContact O-N 3.16Å; Y62-R73 HydrophobicContact CE2-CB 4.33Å; Y62-F79 HydrophobicContact CD2-CD1 4.02Å; Y62-F79 HydrophobicContact CD2-CE1 4.11Å; Y62-F79 AromaticContact CE2-CD1 3.6Å; Y62-F79 HydrophobicContact CE2-CD1 3.6Å; Y62-F79 AromaticContact CE2-CE1 3.4Å; Y62-F79 HydrophobicContact CE2-CE1 3.4Å; Y62-F79 VanDerWaalsContact CE2-CE1 3.4Å; Y62-F79 AromaticContact CZ-CE1 3.66Å
63S96.2Very high95.3Very high0 Ų037.4 Ų37.40%019%0.186CC..EExtended strand (participates in β ladder)trans-113.2158.7-18075.40000112.1V50 K51 E68V50-S63 WeakPolarHBondContact CA-O 3.18Å; K51-S63 WeakPolarHBondContact CB-OG 3.14Å; K51-S63 PolarHBondContact N-O 3.06Å; K51-S63 PolarHBondContact O-N 2.74Å; S63-E68 WeakPolarHBondContact CA-O 3.37Å; S63-E68 VanDerWaalsContact CB-O 3.28Å; S63-E68 WeakPolarHBondContact CB-O 3.41Å
64D93.6Very high95.2Very high12 Ų1240.9 Ų40.96%0.06420%0.202CC..  trans-73.5-176.6167.162.518.5000111.1D66 G67 E68 M70D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 2.86Å; D64-D66 WeakPolarHBondContact OD1-CA 3.32Å; D64-D66 PolarHBondContact OD1-N 2.95Å; D64-D66 VanDerWaalsContact OD1-N 3.1Å; D64-G67 PolarHBondContact O-N 3.33Å; D64-G67 VanDerWaalsContact O-N 3.13Å; D64-G67 PolarHBondContact OD1-N 3.39Å; D64-E68 PolarHBondContact N-O 3.4Å; D64-E68 PolarHBondContact OD1-N 3.5Å; D64-M70 HydrophobicContact CB-CE 3.95Å; D64-M70 HydrophobicContact CB-CG 4.5Å; D64-M70 HydrophobicContact CB-SD 3.95Å
65S90.3Very high95Very high59 Ų5943.2 Ų43.241%0.41321%0.208SC..THydrogen-bonded Turntrans-66.1-26.1178.452.40000114D48 G67D48-S65 WeakPolarHBondContact OD1-CB 3.46Å; D48-S65 PolarHBondContact OD1-OG 3.05Å; S65-G67 PolarHBondContact O-N 3.38Å
66D90.1Very high94.7Very high119 Ų11950.2 Ų50.264%0.63624%0.24SC*.THydrogen-bonded Turntrans-76.7-10.9175-70.3-39000112.4D64D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 2.86Å; D64-D66 WeakPolarHBondContact OD1-CA 3.32Å; D64-D66 PolarHBondContact OD1-N 2.95Å; D64-D66 VanDerWaalsContact OD1-N 3.1Å
67G92.8Very high94.6Very high0 Ų047.1 Ų47.10%023%0.234CC..  trans89.24.8-178.800000113.3D64 S65 V69 G171 V172D64-G67 PolarHBondContact O-N 3.33Å; D64-G67 VanDerWaalsContact O-N 3.13Å; D64-G67 PolarHBondContact OD1-N 3.39Å; S65-G67 PolarHBondContact O-N 3.38Å; G67-V69 PolarHBondContact O-N 3.21Å; G67-G171 CarbonylContact O-C 3.57Å; G67-G171 VanDerWaalsContact O-CA 3.22Å; G67-G171 WeakPolarHBondContact O-CA 3.26Å; G67-V172 WeakPolarHBondContact CA-O 3.28Å; G67-V172 PolarHBondContact O-N 2.96Å
68E93.8Very high94.6Very high58 Ų5842.2 Ų42.227%0.27121%0.214SC..  trans-70.4118.3176.3-173.6172.8-155.800109.3S63 D64 M70 K88S63-E68 WeakPolarHBondContact CA-O 3.37Å; S63-E68 VanDerWaalsContact CB-O 3.28Å; S63-E68 WeakPolarHBondContact CB-O 3.41Å; D64-E68 PolarHBondContact N-O 3.4Å; D64-E68 PolarHBondContact OD1-N 3.5Å; E68-M70 PolarHBondContact O-N 3.28Å; E68-K88 IonicContact OE2-NZ 3Å; E68-K88 PolarHBondContact OE2-NZ 3.04Å; E68-K88 VanDerWaalsContact OE2-NZ 3.09Å
69V96.3Very high94.6Very high13 Ų1337.8 Ų37.88%0.07919%0.194CC..EExtended strand (participates in β ladder)trans-69.8117.6179.4178.90000109.7I53 L61 G67 F71 S82 L166 L169 V172I53-V69 HydrophobicContact CD1-CG2 4.44Å; L61-V69 HydrophobicContact CB-CG1 3.98Å; L61-V69 HydrophobicContact CB-CG2 4.34Å; L61-V69 HydrophobicContact CD1-CG2 4.28Å; L61-V69 HydrophobicContact CD2-CG1 4.49Å; G67-V69 PolarHBondContact O-N 3.21Å; V69-F71 WeakPolarHBondContact CG1-O 2.99Å; V69-S82 VanDerWaalsContact O-CB 3.24Å; V69-S82 WeakPolarHBondContact O-CB 3.36Å; V69-S82 PolarHBondContact O-OG 3.43Å; V69-L166 HydrophobicContact CB-CD1 4.14Å; V69-L166 HydrophobicContact CG1-CD1 3.95Å; V69-L166 HydrophobicContact CG2-CD1 4.28Å; V69-L169 HydrophobicContact CG2-CD2 4Å; V69-V172 HydrophobicContact CG2-CG2 4.33Å
70M95.3Very high94.6Very high8 Ų837.6 Ų37.64%0.03919%0.193CC..EExtended strand (participates in β ladder)trans-94.1-41.9-179.8-63.5-178.8-67.100111.8I43 L44 V50 Y62 D64 E68 P81 S82 L85I43-M70 HydrophobicContact CG2-SD 4.5Å; L44-M70 HydrophobicContact CD2-CE 3.48Å; L44-M70 VanDerWaalsContact CD2-CE 3.48Å; L44-M70 HydrophobicContact CD2-SD 4.09Å; V50-M70 HydrophobicContact CG2-CE 4.48Å; Y62-M70 PolarHBondContact O-N 2.69Å; D64-M70 HydrophobicContact CB-CE 3.95Å; D64-M70 HydrophobicContact CB-CG 4.5Å; D64-M70 HydrophobicContact CB-SD 3.95Å; E68-M70 PolarHBondContact O-N 3.28Å; M70-P81 WeakPolarHBondContact O-CA 3.5Å; M70-S82 PolarHBondContact O-N 3.41Å; M70-L85 HydrophobicContact CB-CD2 4.28Å; M70-L85 WeakPolarHBondContact O-CD2 3.45Å
71F97.1Very high94.5Very high1 Ų137.1 Ų37.10%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-135.9156.7-177.3-60.3-89.1000111.2L25 L29 I43 Y62 V69 F79 I80 P81 L85L25-F71 HydrophobicContact CD2-CB 3.89Å; L25-F71 HydrophobicContact CD2-CD1 4.11Å; L25-F71 HydrophobicContact CD2-CD2 3.72Å; L25-F71 HydrophobicContact CD2-CE2 4.31Å; L25-F71 HydrophobicContact CD2-CG 3.62Å; L29-F71 HydrophobicContact CD1-CE2 4.49Å; L29-F71 HydrophobicContact CD1-CZ 3.95Å; L29-F71 HydrophobicContact CD2-CE1 4.05Å; L29-F71 HydrophobicContact CD2-CZ 3.7Å; L29-F71 HydrophobicContact CG-CE1 4.43Å; L29-F71 HydrophobicContact CG-CZ 3.95Å; I43-F71 HydrophobicContact CG2-CE2 3.95Å; I43-F71 HydrophobicContact CG2-CZ 4.03Å; Y62-F71 HydrophobicContact CD2-CB 4.15Å; Y62-F71 PolarHBondContact N-O 3.19Å; Y62-F71 PolarHBondContact O-N 3.26Å; Y62-F71 VanDerWaalsContact O-N 3.16Å; V69-F71 WeakPolarHBondContact CG1-O 2.99Å; F71-F79 HydrophobicContact CD1-CB 4.42Å; F71-I80 CarbonylContact C-O 3.54Å; F71-I80 VanDerWaalsContact CA-O 3.26Å; F71-I80 WeakPolarHBondContact CA-O 3.4Å; F71-P81 HydrophobicContact CD1-CB 4.28Å; F71-P81 HydrophobicContact CE1-CB 4.13Å; F71-L85 HydrophobicContact CD1-CD2 4.47Å; F71-L85 HydrophobicContact CD2-CD2 4.45Å; F71-L85 HydrophobicContact CE1-CD2 3.83Å; F71-L85 HydrophobicContact CE2-CD2 3.8Å; F71-L85 HydrophobicContact CZ-CD2 3.44Å; F71-L85 VanDerWaalsContact CZ-CD2 3.44Å
72F97.5Very high94.4Very high0 Ų037.2 Ų37.20%019%0.191CC..EExtended strand (participates in β ladder)trans-138.7162.6167.463.6-85.7000110.4M1 F2 D60 L61 I80 V159 H160 L166M1-F72 HydrophobicContact SD-CD2 4.25Å; M1-F72 HydrophobicContact SD-CE2 4.21Å; F2-F72 HydrophobicContact CE2-CD1 4.32Å; F2-F72 AromaticContact CE2-CD2 3.59Å; F2-F72 HydrophobicContact CE2-CD2 3.59Å; F2-F72 HydrophobicContact CE2-CE1 4.35Å; F2-F72 AromaticContact CE2-CE2 3.63Å; F2-F72 HydrophobicContact CE2-CE2 3.63Å; F2-F72 AromaticContact CE2-CG 3.95Å; F2-F72 HydrophobicContact CE2-CG 3.95Å; F2-F72 HydrophobicContact CE2-CZ 4Å; F2-F72 HydrophobicContact CZ-CB 4.15Å; F2-F72 AromaticContact CZ-CD2 3.71Å; F2-F72 HydrophobicContact CZ-CD2 3.71Å; F2-F72 HydrophobicContact CZ-CE2 4.23Å; F2-F72 AromaticContact CZ-CG 3.91Å; F2-F72 HydrophobicContact CZ-CG 3.91Å; D60-F72 CarbonylContact O-C 3.46Å; D60-F72 WeakPolarHBondContact O-CA 3.36Å; D60-F72 WeakPolarHBondContact O-CB 3.26Å; L61-F72 HydrophobicContact CD2-CB 3.49Å; L61-F72 VanDerWaalsContact CD2-CB 3.49Å; F72-I80 HydrophobicContact CD1-CB 4.33Å; F72-I80 HydrophobicContact CD1-CG2 4.42Å; F72-I80 WeakPolarHBondContact CD1-O 3.33Å; F72-I80 HydrophobicContact CD2-CB 4.13Å; F72-I80 HydrophobicContact CD2-CD1 4.3Å; F72-I80 HydrophobicContact CE1-CB 3.95Å; F72-I80 HydrophobicContact CE1-CG2 3.58Å; F72-I80 HydrophobicContact CE2-CB 3.74Å; F72-I80 HydrophobicContact CE2-CD1 3.69Å; F72-I80 HydrophobicContact CE2-CG1 4.31Å; F72-I80 HydrophobicContact CE2-CG2 3.77Å; F72-I80 HydrophobicContact CG-CB 4.42Å; F72-I80 HydrophobicContact CZ-CB 3.66Å; F72-I80 HydrophobicContact CZ-CD1 4.27Å; F72-I80 HydrophobicContact CZ-CG2 3.21Å; F72-I80 PolarHBondContact N-O 3.34Å; F72-I80 PolarHBondContact O-N 3.08Å; F72-V159 HydrophobicContact CE2-CG2 4.24Å; F72-V159 HydrophobicContact CZ-CG2 4.02Å; F72-H160 HydrophobicContact CE1-CB 3.95Å; F72-H160 AromaticContact CE1-CD2 3.98Å; F72-H160 HydrophobicContact CZ-CB 3.65Å; F72-L166 HydrophobicContact CD1-CD2 3.6Å; F72-L166 HydrophobicContact CE1-CD2 3.98Å; F72-L166 HydrophobicContact CG-CD2 4.13Å
73R96.2Very high94.2Very high26 Ų2637.2 Ų37.210%0.09819%0.191CC..EExtended strand (participates in β ladder)trans-146.5143.9177-177.9176.768.5143.617.3108.4V59 D60 Y62 R75 E76 G77 F79V59-R73 WeakPolarHBondContact CA-O 3.39Å; D60-R73 PolarHBondContact N-O 3.14Å; D60-R73 PolarHBondContact O-N 2.94Å; D60-R73 IonicContact OD2-NE 3.44Å; D60-R73 IonicContact OD2-NH2 3.45Å; D60-R73 PolarHBondContact OD2-NH2 3.48Å; Y62-R73 HydrophobicContact CE2-CB 4.33Å; R73-R75 WeakPolarHBondContact CG-O 3.46Å; R73-R75 PolarHBondContact NE-O 3.33Å; R73-E76 IonicContact CZ-OE2 3.73Å; R73-E76 IonicContact NH1-OE2 3.2Å; R73-E76 PolarHBondContact NH1-OE2 3.4Å; R73-E76 IonicContact NH2-OE1 2.74Å; R73-E76 PolarHBondContact NH2-OE1 3.41Å; R73-E76 IonicContact NH2-OE2 3.64Å; R73-E76 PolarHBondContact NH2-OE2 3.33Å; R73-G77 WeakPolarHBondContact CD-O 3.47Å; R73-G77 VanDerWaalsContact CG-O 3.32Å; R73-G77 WeakPolarHBondContact CG-O 3.4Å; R73-F79 HydrophobicContact CB-CD1 4.24Å
74Q95.2Very high94Very high72 Ų7241.4 Ų41.434%0.33621%0.207SC..EExtended strand (participates in β ladder)trans-109.3126168.7-173.8175.140.900109M1 E57 H58 V59 G77M1-Q74 HydrophobicContact CE-CB 3.68Å; M1-Q74 HydrophobicContact CE-CG 4.24Å; M1-Q74 HydrophobicContact SD-CB 4.09Å; E57-Q74 PolarHBondContact O-NE2 3.34Å; H58-Q74 CarbonylContact O-C 3.55Å; H58-Q74 WeakPolarHBondContact O-CA 3.42Å; V59-Q74 HydrophobicContact CG2-CG 4.33Å; Q74-G77 PolarHBondContact O-N 2.82Å
75R92.7Very high93.9Very high145 Ų14541.5 Ų41.555%0.54721%0.207SC..THydrogen-bonded Turntrans51.4-137.8-174.3-59.6174.1179.8-84.1-2.4110.2H58 R73 G77H58-R75 HydrophobicContact CB-CB 4.49Å; H58-R75 HydrophobicContact CB-CG 3.51Å; H58-R75 PolarHBondContact CD2-NH1 3.35Å; H58-R75 PolarHBondContact CD2-NH2 3.31Å; H58-R75 PolarHBondContact NE2-NH1 2.91Å; H58-R75 PolarHBondContact NE2-NH2 3.41Å; H58-R75 PolarHBondContact O-N 2.85Å; R73-R75 WeakPolarHBondContact CG-O 3.46Å; R73-R75 PolarHBondContact NE-O 3.33Å; R75-G77 PolarHBondContact O-N 2.71Å
76E90Very high93.9Very high159 Ų15940.8 Ų40.874%0.74320%0.199SC*.THydrogen-bonded Turntrans-90.630.2174.1-61-54140.200112.7R73R73-E76 IonicContact CZ-OE2 3.73Å; R73-E76 IonicContact NH1-OE2 3.2Å; R73-E76 PolarHBondContact NH1-OE2 3.4Å; R73-E76 IonicContact NH2-OE1 2.74Å; R73-E76 PolarHBondContact NH2-OE1 3.41Å; R73-E76 IonicContact NH2-OE2 3.64Å; R73-E76 PolarHBondContact NH2-OE2 3.33Å
77G92.4Very high93.9Very high31 Ų3137 Ų3732%0.3218%0.177SC..SBendtrans-71.4-174.7175.200000113.7R73 Q74 R75R73-G77 WeakPolarHBondContact CD-O 3.47Å; R73-G77 VanDerWaalsContact CG-O 3.32Å; R73-G77 WeakPolarHBondContact CG-O 3.4Å; Q74-G77 PolarHBondContact O-N 2.82Å; R75-G77 PolarHBondContact O-N 2.71Å
78P92.9Very high93.7Very high42 Ų4242.6 Ų42.627%0.27320%0.202SC..  trans-67.8152.2174.429.3-34.1000111.1I80 V123P78-I80 HydrophobicContact CG-CG1 4.24Å; P78-I80 PolarHBondContact O-N 3.28Å; P78-V123 HydrophobicContact CB-CG2 3.97Å; P78-V123 HydrophobicContact CG-CG2 3.61Å
79F95.6Very high93Very high17 Ų1743.4 Ų43.48%0.07521%0.205CC..  trans-67.6130160.4-60.1-75.1000108.6I21 L25 R28 Y33 Y62 F71 R73I21-F79 HydrophobicContact CG2-CE1 4.33Å; I21-F79 HydrophobicContact CG2-CZ 4.25Å; L25-F79 HydrophobicContact CD2-CB 3.8Å; L25-F79 HydrophobicContact CD2-CD1 3.47Å; L25-F79 VanDerWaalsContact CD2-CD1 3.47Å; L25-F79 HydrophobicContact CD2-CD2 3.96Å; L25-F79 HydrophobicContact CD2-CE1 3.97Å; L25-F79 HydrophobicContact CD2-CE2 4.41Å; L25-F79 HydrophobicContact CD2-CG 3.46Å; L25-F79 VanDerWaalsContact CD2-CG 3.46Å; L25-F79 HydrophobicContact CD2-CZ 4.41Å; L25-F79 HydrophobicContact CG-CD1 4.1Å; L25-F79 HydrophobicContact CG-CD2 4.34Å; L25-F79 HydrophobicContact CG-CE1 4.07Å; L25-F79 HydrophobicContact CG-CE2 4.33Å; L25-F79 HydrophobicContact CG-CG 4.23Å; L25-F79 HydrophobicContact CG-CZ 4.19Å; R28-F79 HydrophobicContact CB-CD2 4.15Å; R28-F79 HydrophobicContact CG-CB 4.21Å; R28-F79 HydrophobicContact CG-CD2 4.39Å; Y33-F79 PolarHBondContact OH-O 3Å; Y62-F79 HydrophobicContact CD2-CD1 4.02Å; Y62-F79 HydrophobicContact CD2-CE1 4.11Å; Y62-F79 AromaticContact CE2-CD1 3.6Å; Y62-F79 HydrophobicContact CE2-CD1 3.6Å; Y62-F79 AromaticContact CE2-CE1 3.4Å; Y62-F79 HydrophobicContact CE2-CE1 3.4Å; Y62-F79 VanDerWaalsContact CE2-CE1 3.4Å; Y62-F79 AromaticContact CZ-CE1 3.66Å; F71-F79 HydrophobicContact CD1-CB 4.42Å; R73-F79 HydrophobicContact CB-CD1 4.24Å
80I96.6Very high91.8Very high4 Ų445.7 Ų45.72%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-117.4127.8-176.3-60.3164.8000107.6F71 F72 P78 V123 V137 I139 V159F71-I80 CarbonylContact C-O 3.54Å; F71-I80 VanDerWaalsContact CA-O 3.26Å; F71-I80 WeakPolarHBondContact CA-O 3.4Å; F72-I80 HydrophobicContact CD1-CB 4.33Å; F72-I80 HydrophobicContact CD1-CG2 4.42Å; F72-I80 WeakPolarHBondContact CD1-O 3.33Å; F72-I80 HydrophobicContact CD2-CB 4.13Å; F72-I80 HydrophobicContact CD2-CD1 4.3Å; F72-I80 HydrophobicContact CE1-CB 3.95Å; F72-I80 HydrophobicContact CE1-CG2 3.58Å; F72-I80 HydrophobicContact CE2-CB 3.74Å; F72-I80 HydrophobicContact CE2-CD1 3.69Å; F72-I80 HydrophobicContact CE2-CG1 4.31Å; F72-I80 HydrophobicContact CE2-CG2 3.77Å; F72-I80 HydrophobicContact CG-CB 4.42Å; F72-I80 HydrophobicContact CZ-CB 3.66Å; F72-I80 HydrophobicContact CZ-CD1 4.27Å; F72-I80 HydrophobicContact CZ-CG2 3.21Å; F72-I80 PolarHBondContact N-O 3.34Å; F72-I80 PolarHBondContact O-N 3.08Å; P78-I80 HydrophobicContact CG-CG1 4.24Å; P78-I80 PolarHBondContact O-N 3.28Å; I80-V123 HydrophobicContact CB-CG1 4.43Å; I80-V123 HydrophobicContact CG1-CG1 4.23Å; I80-V123 HydrophobicContact CG1-CG2 3.86Å; I80-V123 HydrophobicContact CG2-CG1 3.87Å; I80-V137 HydrophobicContact CG2-CB 4.29Å; I80-V137 HydrophobicContact CG2-CG1 3.38Å; I80-I139 HydrophobicContact CD1-CD1 4.17Å; I80-V159 HydrophobicContact CD1-CG2 4.35Å; I80-V159 HydrophobicContact CG2-CG2 4.37Å
81P95Very high89.6Confident13 Ų1354.7 Ų54.78%0.08426%0.255CS..EExtended strand (participates in β ladder)trans-67.8145.317829.4-35.1000110.8Y33 M70 F71 L85 L86Y33-P81 WeakPolarHBondContact OH-CD 3.42Å; M70-P81 WeakPolarHBondContact O-CA 3.5Å; F71-P81 HydrophobicContact CD1-CB 4.28Å; F71-P81 HydrophobicContact CE1-CB 4.13Å; P81-L85 HydrophobicContact CB-CD2 3.95Å; P81-L86 HydrophobicContact CB-CD2 4.21Å; P81-L86 HydrophobicContact CB-CG 4.27Å; P81-L86 HydrophobicContact CG-CD1 4.38Å; P81-L86 HydrophobicContact CG-CD2 4.02Å; P81-L86 HydrophobicContact CG-CG 4.24Å
82S95.1Very high86.8Confident2 Ų256.6 Ų56.61%0.01428%0.275CS..  trans-70.2155.8169.776.40000110.5V69 M70 R84 L85 L86V69-S82 VanDerWaalsContact O-CB 3.24Å; V69-S82 WeakPolarHBondContact O-CB 3.36Å; V69-S82 PolarHBondContact O-OG 3.43Å; M70-S82 PolarHBondContact O-N 3.41Å; S82-R84 PolarHBondContact O-N 3.07Å; S82-L85 PolarHBondContact O-N 3.26Å; S82-L85 WeakPolarHBondContact OG-CB 3.25Å; S82-L85 PolarHBondContact OG-N 2.86Å; S82-L86 PolarHBondContact O-N 2.84Å; S82-L86 VanDerWaalsContact O-N 3.07Å
83L92.7Very high83.7Confident0 Ų061 Ų610%031%0.311CS..Hα-helixtrans-63.2-32.3173.8-80.6172.2000111.8L86 H87 A134 V137 H160 Y161 L162 W167L83-L86 HydrophobicContact CD2-CD1 4.35Å; L83-L86 PolarHBondContact O-N 2.86Å; L83-H87 WeakPolarHBondContact O-CB 3.46Å; L83-H87 PolarHBondContact O-CD2 3.08Å; L83-H87 VanDerWaalsContact O-CG 3.23Å; L83-H87 PolarHBondContact O-N 2.81Å; L83-A134 HydrophobicContact CD2-CB 3.79Å; L83-V137 HydrophobicContact CD2-CG2 3.85Å; L83-V137 HydrophobicContact CG-CG2 4.07Å; L83-H160 WeakPolarHBondContact CB-NE2 3.33Å; L83-H160 PolarHBondContact N-CD2 3.47Å; L83-H160 VanDerWaalsContact N-CD2 3.26Å; L83-H160 PolarHBondContact N-NE2 3.14Å; L83-Y161 VanDerWaalsContact CD1-CA 3.5Å; L83-L162 HydrophobicContact CD1-CD2 4.09Å; L83-L162 HydrophobicContact CD1-CG 4.34Å; L83-W167 HydrophobicContact CB-CE3 3.73Å; L83-W167 HydrophobicContact CB-CZ3 3.71Å; L83-W167 HydrophobicContact CD1-CE3 4.39Å
84R92Very high81.2Confident89 Ų8961.6 Ų61.634%0.33632%0.316SS..Hα-helixtrans-63-43.5175.4-70.5-169.6178.2-76.9-7111.4S82 H87 K88 W167S82-R84 PolarHBondContact O-N 3.07Å; R84-H87 PolarHBondContact O-N 3.14Å; R84-K88 WeakPolarHBondContact O-CB 3.27Å; R84-K88 PolarHBondContact O-N 3.36Å; R84-W167 HydrophobicContact CG-CE3 4Å; R84-W167 HydrophobicContact CG-CZ3 3.82Å; R84-W167 PolarHBondContact NE-O 2.92Å; R84-W167 PolarHBondContact NH2-O 3.07Å
85L92.5Very high78.4Confident13 Ų1366.5 Ų66.57%0.06834%0.336CS..Hα-helixtrans-59.9-48.4174.5179.664.3000110.8I43 M70 F71 P81 S82 H87 K88 F89I43-L85 HydrophobicContact CG1-CD1 4.3Å; I43-L85 HydrophobicContact CG2-CD1 3.78Å; I43-L85 HydrophobicContact CG2-CD2 4.05Å; M70-L85 HydrophobicContact CB-CD2 4.28Å; M70-L85 WeakPolarHBondContact O-CD2 3.45Å; F71-L85 HydrophobicContact CD1-CD2 4.47Å; F71-L85 HydrophobicContact CD2-CD2 4.45Å; F71-L85 HydrophobicContact CE1-CD2 3.83Å; F71-L85 HydrophobicContact CE2-CD2 3.8Å; F71-L85 HydrophobicContact CZ-CD2 3.44Å; F71-L85 VanDerWaalsContact CZ-CD2 3.44Å; P81-L85 HydrophobicContact CB-CD2 3.95Å; S82-L85 PolarHBondContact O-N 3.26Å; S82-L85 WeakPolarHBondContact OG-CB 3.25Å; S82-L85 PolarHBondContact OG-N 2.86Å; L85-H87 VanDerWaalsContact C-N 3.33Å; L85-H87 PolarHBondContact O-N 2.79Å; L85-K88 WeakPolarHBondContact O-CB 3.07Å; L85-K88 PolarHBondContact O-N 3.01Å; L85-F89 HydrophobicContact CD1-CD2 3.79Å; L85-F89 HydrophobicContact CD1-CE2 3.59Å; L85-F89 WeakPolarHBondContact O-CD2 3.37Å; L85-F89 PolarHBondContact O-N 2.86Å
86L90.5Very high75.5Confident45 Ų4566.2 Ų66.224%0.23634%0.341CS..Hα-helixtrans-57.7-45.7177-67177.3000111.6P81 S82 L83 K88 F89 D90 A125 A134 V137P81-L86 HydrophobicContact CB-CD2 4.21Å; P81-L86 HydrophobicContact CB-CG 4.27Å; P81-L86 HydrophobicContact CG-CD1 4.38Å; P81-L86 HydrophobicContact CG-CD2 4.02Å; P81-L86 HydrophobicContact CG-CG 4.24Å; S82-L86 PolarHBondContact O-N 2.84Å; S82-L86 VanDerWaalsContact O-N 3.07Å; L83-L86 HydrophobicContact CD2-CD1 4.35Å; L83-L86 PolarHBondContact O-N 2.86Å; L86-K88 VanDerWaalsContact C-N 3.31Å; L86-K88 PolarHBondContact O-N 3.12Å; L86-F89 PolarHBondContact O-N 3.19Å; L86-D90 WeakPolarHBondContact O-CB 3.38Å; L86-D90 PolarHBondContact O-N 2.89Å; L86-A125 HydrophobicContact CD1-CB 4.08Å; L86-A134 HydrophobicContact CD1-CB 4.03Å; L86-V137 HydrophobicContact CD1-CG2 3.56Å
87H90.1Very high73.5Confident38 Ų3860.9 Ų60.918%0.17632%0.319CS..Hα-helixtrans-69-24.8179.5-72.1-153000113.9L83 R84 L85 F89 D90 N133 A134 W167L83-H87 WeakPolarHBondContact O-CB 3.46Å; L83-H87 PolarHBondContact O-CD2 3.08Å; L83-H87 VanDerWaalsContact O-CG 3.23Å; L83-H87 PolarHBondContact O-N 2.81Å; R84-H87 PolarHBondContact O-N 3.14Å; L85-H87 VanDerWaalsContact C-N 3.33Å; L85-H87 PolarHBondContact O-N 2.79Å; H87-F89 VanDerWaalsContact C-N 3.33Å; H87-D90 CarbonylContact C-O 3.44Å; H87-N133 VanDerWaalsContact CG-ND2 3.26Å; H87-N133 PolarHBondContact ND1-ND2 3.32Å; H87-A134 PolarHBondContact NE2-O 3.25Å; H87-W167 AromaticContact CE1-CH2 3.7Å; H87-W167 AromaticContact CE1-CZ3 3.99Å; H87-W167 AromaticContact ND1-CH2 3.53Å; H87-W167 AromaticContact ND1-CZ3 3.96Å
88K87.3Confident71.8Confident119 Ų11963.8 Ų63.852%0.51733%0.327SS..Hα-helixtrans-70.6-35177-172.1172.8-172.3167.50111.2E68 R84 L85 L86E68-K88 IonicContact OE2-NZ 3Å; E68-K88 PolarHBondContact OE2-NZ 3.04Å; E68-K88 VanDerWaalsContact OE2-NZ 3.09Å; R84-K88 WeakPolarHBondContact O-CB 3.27Å; R84-K88 PolarHBondContact O-N 3.36Å; L85-K88 WeakPolarHBondContact O-CB 3.07Å; L85-K88 PolarHBondContact O-N 3.01Å; L86-K88 VanDerWaalsContact C-N 3.31Å; L86-K88 PolarHBondContact O-N 3.12Å
89F80.1Confident70.5Confident75 Ų7567.7 Ų67.733%0.32935%0.345SS..Hα-helixtrans-100.3-7.1-179.8-68-85.9000113.4M39 Q42 I43 L85 L86 H87M39-F89 HydrophobicContact CG-CD1 4.45Å; M39-F89 HydrophobicContact SD-CD1 4.46Å; Q42-F89 HydrophobicContact CB-CE1 4.08Å; Q42-F89 HydrophobicContact CB-CZ 4.23Å; I43-F89 HydrophobicContact CB-CZ 4.48Å; I43-F89 HydrophobicContact CD1-CE2 4.47Å; I43-F89 HydrophobicContact CG1-CD2 4.16Å; I43-F89 HydrophobicContact CG1-CE1 4.1Å; I43-F89 HydrophobicContact CG1-CE2 3.56Å; I43-F89 HydrophobicContact CG1-CZ 3.52Å; L85-F89 HydrophobicContact CD1-CD2 3.79Å; L85-F89 HydrophobicContact CD1-CE2 3.59Å; L85-F89 WeakPolarHBondContact O-CD2 3.37Å; L85-F89 PolarHBondContact O-N 2.86Å; L86-F89 PolarHBondContact O-N 3.19Å; H87-F89 VanDerWaalsContact C-N 3.33Å
90D71.2Confident69.6Low60 Ų6067.8 Ų67.832%0.32135%0.351SS..SBendtrans-116.3113174.2-163.51.8000110.7L86 H87 G92 N133L86-D90 WeakPolarHBondContact O-CB 3.38Å; L86-D90 PolarHBondContact O-N 2.89Å; H87-D90 CarbonylContact C-O 3.44Å; D90-G92 PolarHBondContact O-N 3.39Å; D90-G92 VanDerWaalsContact O-N 3.12Å; D90-N133 PolarHBondContact O-OD1 3.36Å
91K48.9Very low69.2Low197 Ų19771.6 Ų71.686%0.85738%0.378SS*.  trans-79.696.7-164.8-65.6-176.9-178.8179.20112
92G39.3Very low69Low41 Ų4174.1 Ų74.142%0.42339%0.391SS..  trans173-175.1163.600000116D90 T132 N133D90-G92 PolarHBondContact O-N 3.39Å; D90-G92 VanDerWaalsContact O-N 3.12Å; G92-T132 WeakPolarHBondContact CA-OG1 3.48Å; G92-N133 VanDerWaalsContact C-OD1 3.22Å; G92-N133 WeakPolarHBondContact CA-OD1 3.19Å; G92-N133 PolarHBondContact N-OD1 3.39Å; G92-N133 PolarHBondContact O-ND2 3.29Å; G92-N133 PolarHBondContact O-OD1 2.85Å
93A31.1Very low68.9Low93 Ų9375.4 Ų75.477%0.76940%0.398SS*.  trans-130.4136.2-166.600000111.4
94I44.3Very low68.9Low38 Ų3878.8 Ų78.820%0.19541%0.414CS..  trans-147.7152.1-179.5-50.6174.1000112.8K131 N133 L135I94-K131 HydrophobicContact CD1-CB 3.64Å; I94-K131 HydrophobicContact CD1-CD 4.29Å; I94-K131 HydrophobicContact CD1-CG 4.13Å; I94-K131 HydrophobicContact CG1-CD 4.37Å; I94-K131 HydrophobicContact CG2-CD 4.29Å; I94-N133 HydrophobicContact CD1-CB 3.74Å; I94-N133 WeakPolarHBondContact CD1-O 3.38Å; I94-N133 HydrophobicContact CG1-CB 4.41Å; I94-L135 HydrophobicContact CB-CD2 4.4Å; I94-L135 HydrophobicContact CD1-CD2 3.71Å; I94-L135 HydrophobicContact CG2-CD2 3.7Å
95K36.5Very low69Low175 Ų17574.6 Ų74.676%0.76140%0.398SS*.  trans-122.3-2.4178-73.3-176.6176.7179.20117.6
96H32Very low68.9Low139 Ų13982 Ų8264%0.64443%0.426SS*.  trans-14283.8-166.6-63.8-92.7000116.5
97V47.7Very low68.9Low47 Ų4782 Ų8229%0.28544%0.435SS..  trans-143.6106.4141.6166.30000106L135V97-L135 HydrophobicContact CB-CB 3.83Å; V97-L135 HydrophobicContact CB-CD2 4.4Å; V97-L135 HydrophobicContact CB-CG 4.47Å; V97-L135 HydrophobicContact CG1-CB 4.37Å; V97-L135 HydrophobicContact CG2-CB 3.48Å; V97-L135 VanDerWaalsContact CG2-CB 3.48Å; V97-L135 HydrophobicContact CG2-CD1 3.44Å; V97-L135 VanDerWaalsContact CG2-CD1 3.44Å; V97-L135 HydrophobicContact CG2-CD2 3.9Å; V97-L135 HydrophobicContact CG2-CG 3.76Å
98L55.9Low68.9Low93 Ų9381.8 Ų81.849%0.48744%0.436SS..  trans-104.2-23.7-163.1-77.6164.1000115.2N163L98-N163 HydrophobicContact CD2-CB 4.45Å; L98-N163 VanDerWaalsContact CD2-ND2 3.31Å; L98-N163 WeakPolarHBondContact CD2-ND2 3.11Å
99N66.6Low69Low123 Ų12378.1 Ų78.166%0.65842%0.423SS*.SBendtrans-109.41.2-162.1-69.6-6.8000115.6S101N99-S101 PolarHBondContact O-N 3.32Å; N99-S101 VanDerWaalsContact O-N 3.15Å
100G76.9Confident69.5Low19 Ų1977 Ų7720%0.19643%0.425CS..  trans61.524175.800000114.7Y161G100-Y161 VanDerWaalsContact CA-CE1 3.46Å
101S87.1Confident70.3Confident84 Ų8480.2 Ų80.259%0.58745%0.449SS*.PPolyproline II helixtrans-61.8148.7177.1-57.70000110.7N99 N158N99-S101 PolarHBondContact O-N 3.32Å; N99-S101 VanDerWaalsContact O-N 3.15Å; S101-N158 WeakPolarHBondContact O-CB 3.42Å; S101-N158 PolarHBondContact O-ND2 3.38Å; S101-N158 VanDerWaalsContact O-ND2 3.08Å
102N91.8Very high72.1Confident67 Ų6772.9 Ų72.936%0.35843%0.429SS..PPolyproline II helixtrans-65.3154.5167.4-65.5-31.6000110.3I154 K157 N158N102-I154 HydrophobicContact CB-CD1 4.39Å; N102-I154 HydrophobicContact CB-CG1 4.26Å; N102-I154 HydrophobicContact CB-CG2 3.65Å; N102-K157 WeakPolarHBondContact OD1-CA 3.37Å; N102-N158 PolarHBondContact OD1-N 2.97Å
103I91.6Very high74.4Confident29 Ų2972.5 Ų72.515%0.14942%0.422CS..EExtended strand (participates in β ladder)trans-94.7122.2179.8-63.167.3000107.5L108 V126 G155 V156 N158I103-L108 HydrophobicContact CG2-CD1 3.78Å; I103-L108 HydrophobicContact CG2-CD2 3.7Å; I103-L108 HydrophobicContact CG2-CG 3.52Å; I103-V126 HydrophobicContact CD1-CB 4.5Å; I103-V126 HydrophobicContact CD1-CG1 4.04Å; I103-V126 HydrophobicContact CD1-CG2 3.87Å; I103-V126 HydrophobicContact CG1-CG1 3.74Å; I103-V126 HydrophobicContact CG1-CG2 4.17Å; I103-G155 PolarHBondContact O-N 3.05Å; I103-V156 HydrophobicContact CB-CB 4.12Å; I103-V156 PolarHBondContact N-O 3.07Å; I103-V156 PolarHBondContact O-N 3.23Å; I103-V156 VanDerWaalsContact O-N 3.1Å; I103-N158 HydrophobicContact CD1-CB 4.39Å
104M93.8Very high77Confident71 Ų7178.1 Ų78.135%0.3542%0.423SS..EExtended strand (participates in β ladder)trans-83146.3-179.3-54.2-56.3-71.700110.2R106 G107 L108 G153 I154M104-R106 HydrophobicContact CB-CG 3.93Å; M104-R106 PolarHBondContact O-N 3.26Å; M104-G107 PolarHBondContact O-N 2.68Å; M104-L108 PolarHBondContact O-N 2.83Å; M104-G153 WeakPolarHBondContact CA-O 3.5Å; M104-G153 VanDerWaalsContact CE-O 3.29Å; M104-G153 WeakPolarHBondContact CE-O 3.42Å; M104-I154 HydrophobicContact CE-CG1 4.15Å; M104-I154 HydrophobicContact SD-CB 4.48Å; M104-I154 HydrophobicContact SD-CG1 3.71Å
105C92.8Very high79.1Confident0 Ų079.1 Ų79.10%043%0.428CS..Hα-helixtrans-52-42.8178.7-60.40000111.8G107 L108 T109 I147 S152 G153 G155C105-G107 PolarHBondContact O-N 3.31Å; C105-G107 VanDerWaalsContact O-N 3.08Å; C105-L108 WeakPolarHBondContact O-CA 3.35Å; C105-L108 WeakPolarHBondContact O-CB 3.39Å; C105-L108 PolarHBondContact O-N 2.78Å; C105-T109 WeakPolarHBondContact O-CG2 3.22Å; C105-T109 PolarHBondContact O-N 2.86Å; C105-T109 PolarHBondContact O-OG1 3.16Å; C105-I147 HydrophobicContact CB-CG2 4.05Å; C105-S152 PolarHBondContact SG-O 2.88Å; C105-G153 PolarHBondContact N-O 3.35Å; C105-G155 VanDerWaalsContact SG-CA 3.53Å; C105-G155 PolarHBondContact SG-N 2.6Å
106R91.9Very high81.6Confident170 Ų17076.2 Ų76.264%0.64243%0.425SS*.Hα-helixtrans-53.7-30.5176.672.6177.274.5-176.42115.2M104 T109 S110 N151M104-R106 HydrophobicContact CB-CG 3.93Å; M104-R106 PolarHBondContact O-N 3.26Å; R106-T109 WeakPolarHBondContact CA-OG1 3.24Å; R106-T109 PolarHBondContact O-OG1 2.89Å; R106-S110 PolarHBondContact O-N 2.78Å; R106-N151 WeakPolarHBondContact CA-OD1 3.49Å
107G89.7Confident84.4Confident43 Ų4377.1 Ų77.144%0.44343%0.43SS..Hα-helixtrans-83.7-20.2178.900000112.6M104 C105 S110M104-G107 PolarHBondContact O-N 2.68Å; C105-G107 PolarHBondContact O-N 3.31Å; C105-G107 VanDerWaalsContact O-N 3.08Å; G107-S110 PolarHBondContact O-OG 2.86Å
108L89.8Confident86.5Confident34 Ų3476.6 Ų76.618%0.17843%0.426CS..Hα-helixtrans-90-18.3176.4-66.1170.8000112.5I103 M104 C105 A113 M115 I147 V156I103-L108 HydrophobicContact CG2-CD1 3.78Å; I103-L108 HydrophobicContact CG2-CD2 3.7Å; I103-L108 HydrophobicContact CG2-CG 3.52Å; M104-L108 PolarHBondContact O-N 2.83Å; C105-L108 WeakPolarHBondContact O-CA 3.35Å; C105-L108 WeakPolarHBondContact O-CB 3.39Å; C105-L108 PolarHBondContact O-N 2.78Å; L108-A113 WeakPolarHBondContact O-CB 3.44Å; L108-M115 HydrophobicContact CB-CE 4.38Å; L108-M115 HydrophobicContact CB-CG 4.33Å; L108-M115 HydrophobicContact CB-SD 3.65Å; L108-M115 HydrophobicContact CD1-SD 4.3Å; L108-M115 HydrophobicContact CD2-CG 4.42Å; L108-M115 HydrophobicContact CD2-SD 4.44Å; L108-M115 HydrophobicContact CG-SD 4.34Å; L108-I147 HydrophobicContact CB-CG2 4Å; L108-I147 HydrophobicContact CD1-CD1 4.09Å; L108-I147 HydrophobicContact CD1-CG2 4.04Å; L108-V156 HydrophobicContact CD1-CG2 3.97Å
109T90.6Very high88.4Confident42 Ų4276.4 Ų76.426%0.25843%0.431SS..SBendtrans-109.12.7179.358.10000112.8C105 R106 I147 L148 N151C105-T109 WeakPolarHBondContact O-CG2 3.22Å; C105-T109 PolarHBondContact O-N 2.86Å; C105-T109 PolarHBondContact O-OG1 3.16Å; R106-T109 WeakPolarHBondContact CA-OG1 3.24Å; R106-T109 PolarHBondContact O-OG1 2.89Å; T109-I147 HydrophobicContact CG2-CG2 4.18Å; T109-L148 HydrophobicContact CG2-CD2 4.24Å; T109-N151 PolarHBondContact OG1-OD1 3.46Å
110S90.1Very high89.8Confident53 Ų5374.9 Ų74.937%0.37142%0.42SS..SBendtrans-65.2155.7177.460.40000111.3R106 G107 G112 A113R106-S110 PolarHBondContact O-N 2.78Å; G107-S110 PolarHBondContact O-OG 2.86Å; S110-G112 PolarHBondContact O-N 2.75Å; S110-A113 WeakPolarHBondContact O-CB 3.5Å; S110-A113 PolarHBondContact O-N 2.8Å
111P88.3Confident90.6Very high127 Ų12779.4 Ų79.483%0.82544%0.436SS*.THydrogen-bonded Turntrans-50.3133.5173.6-26.935.3000111.7A113P111-A113 VanDerWaalsContact C-N 3.27Å; P111-A113 PolarHBondContact O-N 2.85Å
112G85.6Confident90.9Very high43 Ų4376.4 Ų76.444%0.44342%0.415SS..THydrogen-bonded Turntrans85.6-17.2-177.500000115.1S110 R114S110-G112 PolarHBondContact O-N 2.75Å; G112-R114 PolarHBondContact O-NH1 2.84Å
113A87.9Confident91Very high32 Ų3274.2 Ų74.226%0.26440%0.404SS..  trans-62.1149.2176.300000111.4L108 S110 P111L108-A113 WeakPolarHBondContact O-CB 3.44Å; S110-A113 WeakPolarHBondContact O-CB 3.5Å; S110-A113 PolarHBondContact O-N 2.8Å; P111-A113 VanDerWaalsContact C-N 3.27Å; P111-A113 PolarHBondContact O-N 2.85Å
114R86.7Confident91Very high212 Ų21274.2 Ų74.280%0.841%0.405SS*.  trans-135.2139.9177.3-63.9-71-176.4-89.1-0107.6G112G112-R114 PolarHBondContact O-NH1 2.84Å
115M88.4Confident90.9Very high59 Ų5973.4 Ų73.429%0.29141%0.409SS..  trans-131.4144.6174.6-68.3-173.5-77.200109.1L108 T144 I147 L148L108-M115 HydrophobicContact CB-CE 4.38Å; L108-M115 HydrophobicContact CB-CG 4.33Å; L108-M115 HydrophobicContact CB-SD 3.65Å; L108-M115 HydrophobicContact CD1-SD 4.3Å; L108-M115 HydrophobicContact CD2-CG 4.42Å; L108-M115 HydrophobicContact CD2-SD 4.44Å; L108-M115 HydrophobicContact CG-SD 4.34Å; M115-T144 HydrophobicContact CB-CG2 3.96Å; M115-T144 HydrophobicContact CE-CG2 4.03Å; M115-T144 HydrophobicContact SD-CG2 4.19Å; M115-I147 HydrophobicContact CE-CG2 4.04Å; M115-I147 HydrophobicContact SD-CG2 3.88Å; M115-L148 HydrophobicContact CE-CD1 4.42Å; M115-L148 HydrophobicContact CE-CD2 3.52Å; M115-L148 HydrophobicContact CE-CG 3.7Å
116T87.8Confident90.9Very high114 Ų11474.6 Ų74.670%0.69942%0.416SS*.  trans-77.4140.2161.6-53.40000108.2V118 T144T116-V118 HydrophobicContact CG2-CG1 4.16Å; T116-V118 PolarHBondContact O-N 3.31Å; T116-T144 PolarHBondContact O-OG1 2.96Å
117E90.8Very high90.7Very high158 Ų15870.6 Ų70.674%0.73841%0.406SS*.  trans-70.4116.6173.5-169.4-179164.600109.6
118V92.2Very high90.5Very high35 Ų3570.6 Ų70.621%0.21240%0.402CS..  trans-145.9148.8-178.4-65.80000110.7T116 V124 T140 T144T116-V118 HydrophobicContact CG2-CG1 4.16Å; T116-V118 PolarHBondContact O-N 3.31Å; V118-V124 HydrophobicContact CG2-CG1 4.12Å; V118-T140 HydrophobicContact CG2-CG2 3.89Å; V118-T144 PolarHBondContact N-OG1 3.25Å; V118-T144 PolarHBondContact O-N 2.96Å; V118-T144 PolarHBondContact O-OG1 3.21Å
119P95.3Very high90.1Very high90 Ų9077 Ų7758%0.58443%0.431SS*.  trans-70.9170.1172.529.3-33.6000111.6S122 T140P119-S122 WeakPolarHBondContact CD-OG 3.41Å; P119-S122 WeakPolarHBondContact CG-OG 3.15Å; P119-S122 VanDerWaalsContact O-CB 3.28Å; P119-S122 WeakPolarHBondContact O-CB 3.26Å; P119-S122 PolarHBondContact O-OG 2.73Å; P119-T140 PolarHBondContact O-OG1 3.1Å
120Q95.8Very high89.7Confident91 Ų9178.8 Ų78.843%0.42546%0.458SS..THydrogen-bonded Turntrans-55153.8166-166.4-174.4-37.800111S122 L141Q120-S122 PolarHBondContact O-N 3.47Å; Q120-L141 VanDerWaalsContact CD-O 3.31Å; Q120-L141 WeakPolarHBondContact CG-O 3.41Å
121E94.8Very high89.4Confident114 Ų11481.3 Ų81.353%0.53346%0.462SS..THydrogen-bonded Turntrans64.922.3-179.5-55.9-58137.300114.1T140E121-T140 WeakPolarHBondContact CA-O 3.5Å; E121-T140 PolarHBondContact N-O 3.05Å; E121-T140 PolarHBondContact N-OG1 3.27Å
122S93.5Very high89Confident21 Ų2178.7 Ų78.715%0.14744%0.444CS..  trans-86.8138.8176.1-64.70000111.7P119 Q120 I139 T140P119-S122 WeakPolarHBondContact CD-OG 3.41Å; P119-S122 WeakPolarHBondContact CG-OG 3.15Å; P119-S122 VanDerWaalsContact O-CB 3.28Å; P119-S122 WeakPolarHBondContact O-CB 3.26Å; P119-S122 PolarHBondContact O-OG 2.73Å; Q120-S122 PolarHBondContact O-N 3.47Å; S122-I139 WeakPolarHBondContact O-CA 3.16Å; S122-T140 PolarHBondContact N-OG1 2.95Å; S122-T140 PolarHBondContact O-N 2.83Å; S122-T140 PolarHBondContact O-OG1 3.39Å
123V93.4Very high89Confident21 Ų2176.7 Ų76.713%0.12742%0.423CS..EExtended strand (participates in β ladder)trans-78.4124172.81800000109Y33 P78 I80 V137 G138Y33-V123 HydrophobicContact CE1-CB 4.2Å; Y33-V123 HydrophobicContact CE1-CG1 4.5Å; Y33-V123 WeakPolarHBondContact OH-CG1 3.46Å; P78-V123 HydrophobicContact CB-CG2 3.97Å; P78-V123 HydrophobicContact CG-CG2 3.61Å; I80-V123 HydrophobicContact CB-CG1 4.43Å; I80-V123 HydrophobicContact CG1-CG1 4.23Å; I80-V123 HydrophobicContact CG1-CG2 3.86Å; I80-V123 HydrophobicContact CG2-CG1 3.87Å; V123-V137 HydrophobicContact CG1-CG1 3.84Å; V123-G138 WeakPolarHBondContact CA-O 3.28Å
124V92.5Very high89.1Confident29 Ų2975.2 Ų75.218%0.17641%0.411CS..EExtended strand (participates in β ladder)trans-130143.9-176-65.60000111.8V118 V137 G138 T140 V156V118-V124 HydrophobicContact CG2-CG1 4.12Å; V124-V137 WeakPolarHBondContact O-CA 3.41Å; V124-G138 PolarHBondContact N-O 3.21Å; V124-G138 PolarHBondContact O-N 3Å; V124-T140 HydrophobicContact CG1-CG2 3.77Å; V124-T140 HydrophobicContact CG2-CG2 4.08Å; V124-V156 HydrophobicContact CG2-CG1 3.62Å; V124-V156 HydrophobicContact CG2-CG2 4.1Å
125A91.8Very high89.3Confident53 Ų5365.4 Ų65.444%0.43837%0.374SS..EExtended strand (participates in β ladder)trans-84.5133.5165.700000109.4L86 A134L86-A125 HydrophobicContact CD1-CB 4.08Å; A125-A134 HydrophobicContact CB-CB 4.01Å
126V91.1Very high89.5Confident25 Ų2562.7 Ų62.715%0.15236%0.361CS..EExtended strand (participates in β ladder)trans-101.4115.7179.9-179.20000108.9I103 L135 A136 V156I103-V126 HydrophobicContact CD1-CB 4.5Å; I103-V126 HydrophobicContact CD1-CG1 4.04Å; I103-V126 HydrophobicContact CD1-CG2 3.87Å; I103-V126 HydrophobicContact CG1-CG1 3.74Å; I103-V126 HydrophobicContact CG1-CG2 4.17Å; V126-L135 PolarHBondContact O-N 2.82Å; V126-A136 HydrophobicContact CB-CB 4.08Å; V126-A136 HydrophobicContact CG2-CB 4.29Å; V126-A136 PolarHBondContact N-O 2.74Å; V126-V156 HydrophobicContact CG2-CG1 4.48Å
127M88.2Confident89.8Confident87 Ų8757.3 Ų57.343%0.42933%0.328SS..  trans-103153.7178-45.7-59.3-76.700109.6T132 A134M127-T132 WeakPolarHBondContact CE-O 3.32Å; M127-A134 WeakPolarHBondContact SD-CA 3.04Å; M127-A134 HydrophobicContact SD-CB 3.75Å; M127-A134 PolarHBondContact SD-N 3.09Å; M127-A134 VanDerWaalsContact SD-N 3.4Å
128A85.9Confident89.9Confident43 Ų4349.8 Ų49.836%0.35529%0.293SS..  trans-107.4156.1162.800000109.9G130 K131 L135A128-G130 PolarHBondContact O-N 3.44Å; A128-K131 HydrophobicContact CB-CG 3.92Å; A128-K131 VanDerWaalsContact O-CB 3.31Å; A128-K131 WeakPolarHBondContact O-CB 3.42Å; A128-K131 PolarHBondContact O-N 2.77Å; A128-K131 VanDerWaalsContact O-N 3.1Å; A128-L135 HydrophobicContact CB-CD1 3.2Å; A128-L135 VanDerWaalsContact N-CD1 3.3Å
129E82.2Confident90Very high168 Ų16849.3 Ų49.379%0.78529%0.289SS*.THydrogen-bonded Turntrans-56.1136.8175.3-170.2176.4-167.700111.5K131E129-K131 PolarHBondContact O-N 3.44Å
130G81.7Confident90Very high79 Ų7945.2 Ų45.281%0.81426%0.262SS*.THydrogen-bonded Turntrans68.711.9-178.300000114.6A128A128-G130 PolarHBondContact O-N 3.44Å
131K82.9Confident90Very high106 Ų10643.6 Ų43.646%0.46126%0.256SS..  trans-110142.9175.4-59.1-51.5175-160.80111.3I94 A128 E129I94-K131 HydrophobicContact CD1-CB 3.64Å; I94-K131 HydrophobicContact CD1-CD 4.29Å; I94-K131 HydrophobicContact CD1-CG 4.13Å; I94-K131 HydrophobicContact CG1-CD 4.37Å; I94-K131 HydrophobicContact CG2-CD 4.29Å; A128-K131 HydrophobicContact CB-CG 3.92Å; A128-K131 VanDerWaalsContact O-CB 3.31Å; A128-K131 WeakPolarHBondContact O-CB 3.42Å; A128-K131 PolarHBondContact O-N 2.77Å; A128-K131 VanDerWaalsContact O-N 3.1Å; E129-K131 PolarHBondContact O-N 3.44Å
132T80.8Confident90Very high72 Ų7240.1 Ų40.144%0.44224%0.241SC..SBendtrans-85.4-38.8-179.954.50000112.4G92 M127G92-T132 WeakPolarHBondContact CA-OG1 3.48Å; M127-T132 WeakPolarHBondContact CE-O 3.32Å
133N86Confident90.2Very high1 Ų140.3 Ų40.31%0.00524%0.243CC..SBendtrans-104.4158.1-175.3-54.915.7000112.8H87 D90 G92 I94H87-N133 VanDerWaalsContact CG-ND2 3.26Å; H87-N133 PolarHBondContact ND1-ND2 3.32Å; D90-N133 PolarHBondContact O-OD1 3.36Å; G92-N133 VanDerWaalsContact C-OD1 3.22Å; G92-N133 WeakPolarHBondContact CA-OD1 3.19Å; G92-N133 PolarHBondContact N-OD1 3.39Å; G92-N133 PolarHBondContact O-ND2 3.29Å; G92-N133 PolarHBondContact O-OD1 2.85Å; I94-N133 HydrophobicContact CD1-CB 3.74Å; I94-N133 WeakPolarHBondContact CD1-O 3.38Å; I94-N133 HydrophobicContact CG1-CB 4.41Å
134A89.5Confident90.1Very high2 Ų239.8 Ų39.82%0.01724%0.24CC..  trans-59.9142.7170.100000112.6L83 L86 H87 A125 M127L83-A134 HydrophobicContact CD2-CB 3.79Å; L86-A134 HydrophobicContact CD1-CB 4.03Å; H87-A134 PolarHBondContact NE2-O 3.25Å; A125-A134 HydrophobicContact CB-CB 4.01Å; M127-A134 WeakPolarHBondContact SD-CA 3.04Å; M127-A134 HydrophobicContact SD-CB 3.75Å; M127-A134 PolarHBondContact SD-N 3.09Å; M127-A134 VanDerWaalsContact SD-N 3.4Å
135L90.2Very high90.2Very high5 Ų543.3 Ų43.33%0.02626%0.257CS..SBendtrans-105.3-25.7-179.9-59.3166.9000111.6I94 V97 V126 A128 L162I94-L135 HydrophobicContact CB-CD2 4.4Å; I94-L135 HydrophobicContact CD1-CD2 3.71Å; I94-L135 HydrophobicContact CG2-CD2 3.7Å; V97-L135 HydrophobicContact CB-CB 3.83Å; V97-L135 HydrophobicContact CB-CD2 4.4Å; V97-L135 HydrophobicContact CB-CG 4.47Å; V97-L135 HydrophobicContact CG1-CB 4.37Å; V97-L135 HydrophobicContact CG2-CB 3.48Å; V97-L135 VanDerWaalsContact CG2-CB 3.48Å; V97-L135 HydrophobicContact CG2-CD1 3.44Å; V97-L135 VanDerWaalsContact CG2-CD1 3.44Å; V97-L135 HydrophobicContact CG2-CD2 3.9Å; V97-L135 HydrophobicContact CG2-CG 3.76Å; V126-L135 PolarHBondContact O-N 2.82Å; A128-L135 HydrophobicContact CB-CD1 3.2Å; A128-L135 VanDerWaalsContact N-CD1 3.3Å; L135-L162 HydrophobicContact CD2-CD1 3.77Å; L135-L162 PolarHBondContact O-N 3.29Å
136A93.1Very high90.4Very high2 Ų244.5 Ų44.52%0.01725%0.254CS..EExtended strand (participates in β ladder)trans-150.8162.3174.300000110V126 H160V126-A136 HydrophobicContact CB-CB 4.08Å; V126-A136 HydrophobicContact CG2-CB 4.29Å; V126-A136 PolarHBondContact N-O 2.74Å; A136-H160 CarbonylContact C-O 3.44Å; A136-H160 WeakPolarHBondContact CA-O 3.39Å; A136-H160 WeakPolarHBondContact CB-O 3.04Å
137V93.7Very high90.5Very high1 Ų143.4 Ų43.41%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-112.5135.4162.3-172.20000106.6I80 L83 L86 V123 V124 N158 V159 H160I80-V137 HydrophobicContact CG2-CB 4.29Å; I80-V137 HydrophobicContact CG2-CG1 3.38Å; L83-V137 HydrophobicContact CD2-CG2 3.85Å; L83-V137 HydrophobicContact CG-CG2 4.07Å; L86-V137 HydrophobicContact CD1-CG2 3.56Å; V123-V137 HydrophobicContact CG1-CG1 3.84Å; V124-V137 WeakPolarHBondContact O-CA 3.41Å; V137-N158 PolarHBondContact O-OD1 3.04Å; V137-V159 HydrophobicContact CB-CG2 4.39Å; V137-V159 HydrophobicContact CG1-CG2 4.39Å; V137-V159 WeakPolarHBondContact O-CG2 3.33Å; V137-V159 PolarHBondContact O-N 3.42Å; V137-H160 HydrophobicContact CB-CB 4.47Å; V137-H160 PolarHBondContact N-O 2.93Å; V137-H160 PolarHBondContact O-N 3.13Å
138G93.4Very high90.8Very high0 Ų043.9 Ų43.90%025%0.251CS..EExtended strand (participates in β ladder)trans-136.4170.4-176.300000112.7V123 V124 K157V123-G138 WeakPolarHBondContact CA-O 3.28Å; V124-G138 PolarHBondContact N-O 3.21Å; V124-G138 PolarHBondContact O-N 3Å; G138-K157 CarbonylContact C-O 3.5Å; G138-K157 WeakPolarHBondContact CA-O 3.39Å
139I94.8Very high91.1Very high26 Ų2646.4 Ų46.413%0.13327%0.266CS..EExtended strand (participates in β ladder)trans-117.7128.6171.2-59.4175.7000107.6I80 S122 L141 V156 K157 V159I80-I139 HydrophobicContact CD1-CD1 4.17Å; S122-I139 WeakPolarHBondContact O-CA 3.16Å; I139-L141 PolarHBondContact O-N 2.67Å; I139-V156 WeakPolarHBondContact O-CA 3.49Å; I139-K157 PolarHBondContact N-O 3.31Å; I139-K157 PolarHBondContact O-N 2.8Å; I139-V159 HydrophobicContact CD1-CG1 3.96Å; I139-V159 HydrophobicContact CG1-CG1 4.03Å
140T94.2Very high91.4Very high3 Ų341.8 Ų41.82%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-66.1127.8177.455.40000110.2V118 P119 E121 S122 V124 L142 V156V118-T140 HydrophobicContact CG2-CG2 3.89Å; P119-T140 PolarHBondContact O-OG1 3.1Å; E121-T140 WeakPolarHBondContact CA-O 3.5Å; E121-T140 PolarHBondContact N-O 3.05Å; E121-T140 PolarHBondContact N-OG1 3.27Å; S122-T140 PolarHBondContact N-OG1 2.95Å; S122-T140 PolarHBondContact O-N 2.83Å; S122-T140 PolarHBondContact O-OG1 3.39Å; V124-T140 HydrophobicContact CG1-CG2 3.77Å; V124-T140 HydrophobicContact CG2-CG2 4.08Å; T140-L142 WeakPolarHBondContact CB-O 3.47Å; T140-V156 HydrophobicContact CG2-CG2 4.04Å
141L96.6Very high91.6Very high58 Ų5841.9 Ų41.930%0.30423%0.231SC..SBendtrans-91.6-11.5173.9-63-172.7000112.5Q120 I139 I154 G155 K157Q120-L141 VanDerWaalsContact CD-O 3.31Å; Q120-L141 WeakPolarHBondContact CG-O 3.41Å; I139-L141 PolarHBondContact O-N 2.67Å; L141-I154 HydrophobicContact CD1-CB 4.05Å; L141-I154 HydrophobicContact CD1-CG2 3.63Å; L141-I154 HydrophobicContact CG-CG2 4.46Å; L141-G155 PolarHBondContact N-O 2.95Å; L141-K157 HydrophobicContact CD1-CB 4.14Å; L141-K157 HydrophobicContact CD2-CB 3.88Å; L141-K157 HydrophobicContact CD2-CD 4.41Å; L141-K157 HydrophobicContact CG-CB 3.95Å
142L95.5Very high92Very high40 Ų4040 Ų4021%0.20923%0.231CC..SBendtrans-140.2152.1176.6-66.2175.5000107.8T140 E146 I147T140-L142 WeakPolarHBondContact CB-O 3.47Å; L142-E146 HydrophobicContact CB-CB 3.91Å; L142-E146 HydrophobicContact CD2-CB 4.32Å; L142-I147 HydrophobicContact CB-CD1 4.42Å; L142-I147 HydrophobicContact CB-CG1 3.71Å; L142-I147 HydrophobicContact CD1-CG1 4.44Å
143S96.4Very high92.6Very high26 Ų2638.5 Ų38.518%0.18223%0.23CC..  trans-64.4161.2168.861.90000111.7D145 E146 I147S143-D145 PolarHBondContact O-N 3.47Å; S143-E146 WeakPolarHBondContact CB-OE2 3.31Å; S143-E146 PolarHBondContact N-OE2 3.2Å; S143-E146 PolarHBondContact O-N 3.01Å; S143-E146 VanDerWaalsContact O-N 3.14Å; S143-E146 WeakPolarHBondContact OG-CB 3.5Å; S143-E146 VanDerWaalsContact OG-CD 3.31Å; S143-E146 VanDerWaalsContact OG-CG 3.24Å; S143-E146 WeakPolarHBondContact OG-CG 3.21Å; S143-E146 PolarHBondContact OG-N 3.15Å; S143-E146 PolarHBondContact OG-OE2 3.24Å; S143-I147 VanDerWaalsContact O-CG1 3.31Å; S143-I147 WeakPolarHBondContact O-CG1 3.4Å; S143-I147 PolarHBondContact O-N 2.9Å
144T91.5Very high93.1Very high10 Ų1041.4 Ų41.46%0.06125%0.245CC..Hα-helixtrans-55.1-39.9177.3-56.70000111.9M115 T116 V118 I147 L148M115-T144 HydrophobicContact CB-CG2 3.96Å; M115-T144 HydrophobicContact CE-CG2 4.03Å; M115-T144 HydrophobicContact SD-CG2 4.19Å; T116-T144 PolarHBondContact O-OG1 2.96Å; V118-T144 PolarHBondContact N-OG1 3.25Å; V118-T144 PolarHBondContact O-N 2.96Å; V118-T144 PolarHBondContact O-OG1 3.21Å; T144-I147 PolarHBondContact O-N 3.46Å; T144-L148 HydrophobicContact CG2-CD1 4.18Å; T144-L148 VanDerWaalsContact O-CG 3.27Å; T144-L148 WeakPolarHBondContact O-CG 3.27Å; T144-L148 PolarHBondContact O-N 2.74Å
145D95.5Very high93.4Very high103 Ų10341.3 Ų41.355%0.55124%0.244SC*.Hα-helixtrans-67.1-39.8177.8-68.6-15.5000113S143 L148 S149S143-D145 PolarHBondContact O-N 3.47Å; D145-L148 PolarHBondContact O-N 3.44Å; D145-S149 WeakPolarHBondContact O-CB 3.48Å; D145-S149 PolarHBondContact O-N 3.39Å; D145-S149 PolarHBondContact O-OG 3.47Å
146E96.1Very high93.6Very high77 Ų7741.4 Ų41.436%0.3625%0.245SC..Hα-helixtrans-67.5-37.6175-73.8168.4129.400112L142 S143 L148 S149 T150L142-E146 HydrophobicContact CB-CB 3.91Å; L142-E146 HydrophobicContact CD2-CB 4.32Å; S143-E146 WeakPolarHBondContact CB-OE2 3.31Å; S143-E146 PolarHBondContact N-OE2 3.2Å; S143-E146 PolarHBondContact O-N 3.01Å; S143-E146 VanDerWaalsContact O-N 3.14Å; S143-E146 WeakPolarHBondContact OG-CB 3.5Å; S143-E146 VanDerWaalsContact OG-CD 3.31Å; S143-E146 VanDerWaalsContact OG-CG 3.24Å; S143-E146 WeakPolarHBondContact OG-CG 3.21Å; S143-E146 PolarHBondContact OG-N 3.15Å; S143-E146 PolarHBondContact OG-OE2 3.24Å; E146-L148 VanDerWaalsContact C-N 3.34Å; E146-S149 WeakPolarHBondContact CA-OG 3.48Å; E146-S149 PolarHBondContact O-N 2.84Å; E146-S149 PolarHBondContact O-OG 2.82Å; E146-T150 WeakPolarHBondContact O-CB 3.16Å; E146-T150 PolarHBondContact O-N 2.85Å; E146-T150 PolarHBondContact O-OG1 3.08Å
147I93.3Very high93.7Very high3 Ų346.4 Ų46.42%0.01527%0.266CS..Hα-helixtrans-61.9-44.9174.6-68170.2000110.2C105 L108 T109 M115 L142 S143 T144 N151C105-I147 HydrophobicContact CB-CG2 4.05Å; L108-I147 HydrophobicContact CB-CG2 4Å; L108-I147 HydrophobicContact CD1-CD1 4.09Å; L108-I147 HydrophobicContact CD1-CG2 4.04Å; T109-I147 HydrophobicContact CG2-CG2 4.18Å; M115-I147 HydrophobicContact CE-CG2 4.04Å; M115-I147 HydrophobicContact SD-CG2 3.88Å; L142-I147 HydrophobicContact CB-CD1 4.42Å; L142-I147 HydrophobicContact CB-CG1 3.71Å; L142-I147 HydrophobicContact CD1-CG1 4.44Å; S143-I147 VanDerWaalsContact O-CG1 3.31Å; S143-I147 WeakPolarHBondContact O-CG1 3.4Å; S143-I147 PolarHBondContact O-N 2.9Å; T144-I147 PolarHBondContact O-N 3.46Å; I147-N151 PolarHBondContact O-N 3.01Å; I147-N151 VanDerWaalsContact O-N 3.13Å
148L92.6Very high93.7Very high97 Ų9747 Ų4751%0.50827%0.269SS..Hα-helixtrans-65.1-44.2179.2-73.1168.1000112.1T109 M115 T144 D145 E146T109-L148 HydrophobicContact CG2-CD2 4.24Å; M115-L148 HydrophobicContact CE-CD1 4.42Å; M115-L148 HydrophobicContact CE-CD2 3.52Å; M115-L148 HydrophobicContact CE-CG 3.7Å; T144-L148 HydrophobicContact CG2-CD1 4.18Å; T144-L148 VanDerWaalsContact O-CG 3.27Å; T144-L148 WeakPolarHBondContact O-CG 3.27Å; T144-L148 PolarHBondContact O-N 2.74Å; D145-L148 PolarHBondContact O-N 3.44Å; E146-L148 VanDerWaalsContact C-N 3.34Å
149S93.8Very high93.8Very high95 Ų9547.2 Ų47.266%0.66427%0.271SS*.Hα-helixtrans-77.6-40.4-177550000113.6D145 E146D145-S149 WeakPolarHBondContact O-CB 3.48Å; D145-S149 PolarHBondContact O-N 3.39Å; D145-S149 PolarHBondContact O-OG 3.47Å; E146-S149 WeakPolarHBondContact CA-OG 3.48Å; E146-S149 PolarHBondContact O-N 2.84Å; E146-S149 PolarHBondContact O-OG 2.82Å
150T87.7Confident93.8Very high71 Ų7146 Ų4644%0.43626%0.264SS..Hα-helixtrans-79.4-37.6-176-55.60000112.2E146 S152E146-T150 WeakPolarHBondContact O-CB 3.16Å; E146-T150 PolarHBondContact O-N 2.85Å; E146-T150 PolarHBondContact O-OG1 3.08Å; T150-S152 WeakPolarHBondContact CG2-OG 3.35Å; T150-S152 PolarHBondContact O-N 3.11Å; T150-S152 PolarHBondContact O-OG 3.42Å
151N85.8Confident93.8Very high82 Ų8246.6 Ų46.644%0.43927%0.266SS..  trans48.521.1-179.5-163.220.5000115.8R106 T109 I147R106-N151 WeakPolarHBondContact CA-OD1 3.49Å; T109-N151 PolarHBondContact OG1-OD1 3.46Å; I147-N151 PolarHBondContact O-N 3.01Å; I147-N151 VanDerWaalsContact O-N 3.13Å
152S91.5Very high93.5Very high67 Ų6744.3 Ų44.347%0.46925%0.254SS..  trans-145.4161.4-178.467.60000110.8C105 T150C105-S152 PolarHBondContact SG-O 2.88Å; T150-S152 WeakPolarHBondContact CG2-OG 3.35Å; T150-S152 PolarHBondContact O-N 3.11Å; T150-S152 PolarHBondContact O-OG 3.42Å
153G94.4Very high93.3Very high39 Ų3945.9 Ų45.940%0.40226%0.263SS..SBendtrans75.5-168.1-175.200000114.4M104 C105M104-G153 WeakPolarHBondContact CA-O 3.5Å; M104-G153 VanDerWaalsContact CE-O 3.29Å; M104-G153 WeakPolarHBondContact CE-O 3.42Å; C105-G153 PolarHBondContact N-O 3.35Å
154I96.2Very high93.2Very high63 Ų6344.7 Ų44.732%0.32325%0.254SS..EExtended strand (participates in β ladder)trans-89.5118.8-178.8-61.9162.4000108.3N102 M104 L141N102-I154 HydrophobicContact CB-CD1 4.39Å; N102-I154 HydrophobicContact CB-CG1 4.26Å; N102-I154 HydrophobicContact CB-CG2 3.65Å; M104-I154 HydrophobicContact CE-CG1 4.15Å; M104-I154 HydrophobicContact SD-CB 4.48Å; M104-I154 HydrophobicContact SD-CG1 3.71Å; L141-I154 HydrophobicContact CD1-CB 4.05Å; L141-I154 HydrophobicContact CD1-CG2 3.63Å; L141-I154 HydrophobicContact CG-CG2 4.46Å
155G94.7Very high93.4Very high0 Ų044.3 Ų44.30%025%0.253CS..EExtended strand (participates in β ladder)trans-87.5-37.2175.800000112.2I103 C105 L141I103-G155 PolarHBondContact O-N 3.05Å; C105-G155 VanDerWaalsContact SG-CA 3.53Å; C105-G155 PolarHBondContact SG-N 2.6Å; L141-G155 PolarHBondContact N-O 2.95Å
156V94.3Very high93.4Very high7 Ų739.8 Ų39.84%0.04223%0.228CC..EExtended strand (participates in β ladder)trans-133.7125.8179.8-177.50000110.4I103 L108 V124 V126 I139 T140I103-V156 HydrophobicContact CB-CB 4.12Å; I103-V156 PolarHBondContact N-O 3.07Å; I103-V156 PolarHBondContact O-N 3.23Å; I103-V156 VanDerWaalsContact O-N 3.1Å; L108-V156 HydrophobicContact CD1-CG2 3.97Å; V124-V156 HydrophobicContact CG2-CG1 3.62Å; V124-V156 HydrophobicContact CG2-CG2 4.1Å; V126-V156 HydrophobicContact CG2-CG1 4.48Å; I139-V156 WeakPolarHBondContact O-CA 3.49Å; T140-V156 HydrophobicContact CG2-CG2 4.04Å
157K95.2Very high93.2Very high107 Ų10738.1 Ų38.147%0.46522%0.219SC..EExtended strand (participates in β ladder)trans-80.4123171.5-177179.4179.6-1780109.6N102 G138 I139 L141N102-K157 WeakPolarHBondContact OD1-CA 3.37Å; G138-K157 CarbonylContact C-O 3.5Å; G138-K157 WeakPolarHBondContact CA-O 3.39Å; I139-K157 PolarHBondContact N-O 3.31Å; I139-K157 PolarHBondContact O-N 2.8Å; L141-K157 HydrophobicContact CD1-CB 4.14Å; L141-K157 HydrophobicContact CD2-CB 3.88Å; L141-K157 HydrophobicContact CD2-CD 4.41Å; L141-K157 HydrophobicContact CG-CB 3.95Å
158N94Very high93.2Very high13 Ų1344.5 Ų44.57%0.0724%0.243CC..EExtended strand (participates in β ladder)trans-76.4126.2179-167.3-24000110.3S101 N102 I103 V137 H160S101-N158 WeakPolarHBondContact O-CB 3.42Å; S101-N158 PolarHBondContact O-ND2 3.38Å; S101-N158 VanDerWaalsContact O-ND2 3.08Å; N102-N158 PolarHBondContact OD1-N 2.97Å; I103-N158 HydrophobicContact CD1-CB 4.39Å; V137-N158 PolarHBondContact O-OD1 3.04Å; N158-H160 PolarHBondContact OD1-N 3.38Å; N158-H160 PolarHBondContact OD1-O 3.11Å
159V95Very high93.2Very high5 Ų540.6 Ų40.63%0.0322%0.222CC..EExtended strand (participates in β ladder)trans-107.7-37.2179.9-65.50000112.3M1 F72 I80 V137 I139M1-V159 WeakPolarHBondContact CB-O 3.26Å; M1-V159 HydrophobicContact CE-CB 4.29Å; M1-V159 HydrophobicContact CE-CG1 4.28Å; M1-V159 PolarHBondContact N-O 2.87Å; M1-V159 VanDerWaalsContact N-O 3.09Å; F72-V159 HydrophobicContact CE2-CG2 4.24Å; F72-V159 HydrophobicContact CZ-CG2 4.02Å; I80-V159 HydrophobicContact CD1-CG2 4.35Å; I80-V159 HydrophobicContact CG2-CG2 4.37Å; V137-V159 HydrophobicContact CB-CG2 4.39Å; V137-V159 HydrophobicContact CG1-CG2 4.39Å; V137-V159 WeakPolarHBondContact O-CG2 3.33Å; V137-V159 PolarHBondContact O-N 3.42Å; I139-V159 HydrophobicContact CD1-CG1 3.96Å; I139-V159 HydrophobicContact CG1-CG1 4.03Å
160H95.1Very high92.7Very high1 Ų144.7 Ų44.71%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-145133.5-178.5174.942000110F2 F72 L83 A136 V137 N158 D164F2-H160 HydrophobicContact CD2-CB 4.25Å; F72-H160 HydrophobicContact CE1-CB 3.95Å; F72-H160 AromaticContact CE1-CD2 3.98Å; F72-H160 HydrophobicContact CZ-CB 3.65Å; L83-H160 WeakPolarHBondContact CB-NE2 3.33Å; L83-H160 PolarHBondContact N-CD2 3.47Å; L83-H160 VanDerWaalsContact N-CD2 3.26Å; L83-H160 PolarHBondContact N-NE2 3.14Å; A136-H160 CarbonylContact C-O 3.44Å; A136-H160 WeakPolarHBondContact CA-O 3.39Å; A136-H160 WeakPolarHBondContact CB-O 3.04Å; V137-H160 HydrophobicContact CB-CB 4.47Å; V137-H160 PolarHBondContact N-O 2.93Å; V137-H160 PolarHBondContact O-N 3.13Å; N158-H160 PolarHBondContact OD1-N 3.38Å; N158-H160 PolarHBondContact OD1-O 3.11Å; H160-D164 VanDerWaalsContact CA-OD2 3.26Å; H160-D164 WeakPolarHBondContact CA-OD2 3.45Å; H160-D164 IonicContact CE1-OD1 3.6Å; H160-D164 PolarHBondContact CE1-OD1 3.05Å; H160-D164 IonicContact CE1-OD2 3.39Å; H160-D164 IonicContact CG-OD2 2.74Å; H160-D164 IonicContact ND1-OD1 3.79Å; H160-D164 PolarHBondContact ND1-OD1 3.22Å; H160-D164 IonicContact ND1-OD2 3.88Å; H160-D164 PolarHBondContact ND1-OD2 3.23Å
161Y93.9Very high92.4Very high15 Ų1542.7 Ų42.76%0.05922%0.221CC..EExtended strand (participates in β ladder)trans-144165-175.460.5-83.5000111.9K3 L83 G100 N163 D164K3-Y161 WeakPolarHBondContact CB-OH 3.42Å; K3-Y161 VanDerWaalsContact CG-OH 3.3Å; K3-Y161 WeakPolarHBondContact CG-OH 3.34Å; L83-Y161 VanDerWaalsContact CD1-CA 3.5Å; G100-Y161 VanDerWaalsContact CA-CE1 3.46Å; Y161-N163 PolarHBondContact O-N 3.37Å; Y161-D164 HydrophobicContact CD1-CB 3.99Å; Y161-D164 HydrophobicContact CD2-CB 4.14Å; Y161-D164 HydrophobicContact CE1-CB 3.67Å; Y161-D164 HydrophobicContact CE2-CB 3.84Å; Y161-D164 HydrophobicContact CG-CB 4.2Å; Y161-D164 PolarHBondContact N-OD2 2.91Å; Y161-D164 WeakPolarHBondContact O-CB 3.25Å; Y161-D164 PolarHBondContact O-N 3.43Å
162L91.4Very high92.3Very high9 Ų939 Ų395%0.04720%0.202CC..THydrogen-bonded Turntrans-55.7137.6178.1-62.2173.5000111.5L83 L135 D164 W167L83-L162 HydrophobicContact CD1-CD2 4.09Å; L83-L162 HydrophobicContact CD1-CG 4.34Å; L135-L162 HydrophobicContact CD2-CD1 3.77Å; L135-L162 PolarHBondContact O-N 3.29Å; L162-D164 PolarHBondContact O-N 2.97Å; L162-W167 HydrophobicContact CD2-CD2 4.15Å; L162-W167 HydrophobicContact CD2-CE3 4.02Å; L162-W167 HydrophobicContact CD2-CH2 3.73Å; L162-W167 HydrophobicContact CD2-CZ2 3.86Å; L162-W167 HydrophobicContact CD2-CZ3 3.81Å
163N91.2Very high91.2Very high74 Ų7447.1 Ų47.140%0.39622%0.222SC..THydrogen-bonded Turntrans64.311-178.7-64.5-22.9000116.3L98 Y161 W167 R168L98-N163 HydrophobicContact CD2-CB 4.45Å; L98-N163 VanDerWaalsContact CD2-ND2 3.31Å; L98-N163 WeakPolarHBondContact CD2-ND2 3.11Å; Y161-N163 PolarHBondContact O-N 3.37Å; N163-W167 VanDerWaalsContact CA-CD1 3.46Å; N163-W167 VanDerWaalsContact N-CG 3.33Å; N163-W167 PolarHBondContact OD1-NE1 2.81Å; N163-R168 PolarHBondContact O-NH1 3.4Å
164D94.3Very high91.1Very high0 Ų047.6 Ų47.60%021%0.213CC..SBendtrans-70.6175.5165.177.314.2000112.2F2 H160 Y161 L162 L166 W167 R168F2-D164 HydrophobicContact CB-CB 4.29Å; H160-D164 VanDerWaalsContact CA-OD2 3.26Å; H160-D164 WeakPolarHBondContact CA-OD2 3.45Å; H160-D164 IonicContact CE1-OD1 3.6Å; H160-D164 PolarHBondContact CE1-OD1 3.05Å; H160-D164 IonicContact CE1-OD2 3.39Å; H160-D164 IonicContact CG-OD2 2.74Å; H160-D164 IonicContact ND1-OD1 3.79Å; H160-D164 PolarHBondContact ND1-OD1 3.22Å; H160-D164 IonicContact ND1-OD2 3.88Å; H160-D164 PolarHBondContact ND1-OD2 3.23Å; Y161-D164 HydrophobicContact CD1-CB 3.99Å; Y161-D164 HydrophobicContact CD2-CB 4.14Å; Y161-D164 HydrophobicContact CE1-CB 3.67Å; Y161-D164 HydrophobicContact CE2-CB 3.84Å; Y161-D164 HydrophobicContact CG-CB 4.2Å; Y161-D164 PolarHBondContact N-OD2 2.91Å; Y161-D164 WeakPolarHBondContact O-CB 3.25Å; Y161-D164 PolarHBondContact O-N 3.43Å; L162-D164 PolarHBondContact O-N 2.97Å; D164-L166 VanDerWaalsContact C-N 3.33Å; D164-L166 PolarHBondContact O-N 3.18Å; D164-L166 PolarHBondContact OD1-N 2.92Å; D164-L166 VanDerWaalsContact OD1-N 3.11Å; D164-W167 WeakPolarHBondContact O-CB 3.43Å; D164-W167 PolarHBondContact O-N 3.15Å; D164-W167 PolarHBondContact OD1-N 2.92Å; D164-R168 VanDerWaalsContact O-CG 3.32Å; D164-R168 WeakPolarHBondContact O-CG 3.33Å; D164-R168 PolarHBondContact O-N 3.39Å
165G94.3Very high90.8Very high3 Ų346.7 Ų46.73%0.03121%0.207CC..Hα-helixtrans-61.2-38.2-176.600000113.6F2 F5 R168 L169F2-G165 WeakPolarHBondContact O-CA 3.44Å; F2-G165 PolarHBondContact O-N 3.34Å; F5-G165 VanDerWaalsContact O-CA 3.3Å; F5-G165 WeakPolarHBondContact O-CA 3.49Å; G165-R168 PolarHBondContact O-N 3.23Å; G165-L169 PolarHBondContact O-N 2.76Å; G165-L169 VanDerWaalsContact O-N 3.08Å
166L95.6Very high90.6Very high7 Ų749.3 Ų49.34%0.03722%0.219CC..Hα-helixtrans-68.2-39.5176177.760.6000111.4F2 L61 V69 F72 D164 R168 L169F2-L166 HydrophobicContact CB-CB 3.85Å; F2-L166 HydrophobicContact CD1-CB 3.77Å; F2-L166 HydrophobicContact CD2-CB 3.85Å; F2-L166 HydrophobicContact CD2-CD2 3.9Å; F2-L166 HydrophobicContact CE1-CB 4.25Å; F2-L166 HydrophobicContact CE1-CD2 4.26Å; F2-L166 HydrophobicContact CE2-CB 4.34Å; F2-L166 HydrophobicContact CE2-CD2 3.62Å; F2-L166 HydrophobicContact CG-CB 3.54Å; F2-L166 HydrophobicContact CG-CD2 4.36Å; F2-L166 HydrophobicContact CZ-CD2 3.81Å; L61-L166 HydrophobicContact CD1-CD1 4.08Å; L61-L166 HydrophobicContact CD2-CD1 4.1Å; V69-L166 HydrophobicContact CB-CD1 4.14Å; V69-L166 HydrophobicContact CG1-CD1 3.95Å; V69-L166 HydrophobicContact CG2-CD1 4.28Å; F72-L166 HydrophobicContact CD1-CD2 3.6Å; F72-L166 HydrophobicContact CE1-CD2 3.98Å; F72-L166 HydrophobicContact CG-CD2 4.13Å; D164-L166 VanDerWaalsContact C-N 3.33Å; D164-L166 PolarHBondContact O-N 3.18Å; D164-L166 PolarHBondContact OD1-N 2.92Å; D164-L166 VanDerWaalsContact OD1-N 3.11Å; L166-R168 VanDerWaalsContact C-N 3.28Å; L166-R168 PolarHBondContact O-N 3.31Å; L166-L169 HydrophobicContact CD1-CD2 4.01Å; L166-L169 VanDerWaalsContact O-CB 3.26Å; L166-L169 WeakPolarHBondContact O-CB 3.28Å; L166-L169 PolarHBondContact O-N 2.64Å
167W93.6Very high90.4Very high43 Ų4351.8 Ų51.816%0.16323%0.229CC..Hα-helixtrans-62.1-38.1175.7175.3-93.4000112.1L83 R84 H87 L162 N163 D164 L169L83-W167 HydrophobicContact CB-CE3 3.73Å; L83-W167 HydrophobicContact CB-CZ3 3.71Å; L83-W167 HydrophobicContact CD1-CE3 4.39Å; R84-W167 HydrophobicContact CG-CE3 4Å; R84-W167 HydrophobicContact CG-CZ3 3.82Å; R84-W167 PolarHBondContact NE-O 2.92Å; R84-W167 PolarHBondContact NH2-O 3.07Å; H87-W167 AromaticContact CE1-CH2 3.7Å; H87-W167 AromaticContact CE1-CZ3 3.99Å; H87-W167 AromaticContact ND1-CH2 3.53Å; H87-W167 AromaticContact ND1-CZ3 3.96Å; L162-W167 HydrophobicContact CD2-CD2 4.15Å; L162-W167 HydrophobicContact CD2-CE3 4.02Å; L162-W167 HydrophobicContact CD2-CH2 3.73Å; L162-W167 HydrophobicContact CD2-CZ2 3.86Å; L162-W167 HydrophobicContact CD2-CZ3 3.81Å; N163-W167 VanDerWaalsContact CA-CD1 3.46Å; N163-W167 VanDerWaalsContact N-CG 3.33Å; N163-W167 PolarHBondContact OD1-NE1 2.81Å; D164-W167 WeakPolarHBondContact O-CB 3.43Å; D164-W167 PolarHBondContact O-N 3.15Å; D164-W167 PolarHBondContact OD1-N 2.92Å; W167-L169 VanDerWaalsContact C-N 3.33Å
168R92.8Very high90.1Very high136 Ų13648.4 Ų48.451%0.51322%0.215SC..Hα-helixtrans-77.2-17.7-180-69-174.8-56.6-125.28.6113.6N163 D164 G165 L166 K170N163-R168 PolarHBondContact O-NH1 3.4Å; D164-R168 VanDerWaalsContact O-CG 3.32Å; D164-R168 WeakPolarHBondContact O-CG 3.33Å; D164-R168 PolarHBondContact O-N 3.39Å; G165-R168 PolarHBondContact O-N 3.23Å; L166-R168 VanDerWaalsContact C-N 3.28Å; L166-R168 PolarHBondContact O-N 3.31Å; R168-K170 PolarHBondContact O-N 3.43Å
169L92.5Very high89.8Confident15 Ų1550.7 Ų50.78%0.07922%0.224CC..  trans-59.3125.1179.1-164.462.2000110.2F5 E7 L61 V69 G165 L166 W167 V172F5-L169 HydrophobicContact CE1-CD1 4.44Å; F5-L169 HydrophobicContact CE1-CD2 4.17Å; E7-L169 HydrophobicContact CB-CD1 3.63Å; E7-L169 HydrophobicContact CG-CD1 3.71Å; L61-L169 HydrophobicContact CD1-CD2 3.96Å; V69-L169 HydrophobicContact CG2-CD2 4Å; G165-L169 PolarHBondContact O-N 2.76Å; G165-L169 VanDerWaalsContact O-N 3.08Å; L166-L169 HydrophobicContact CD1-CD2 4.01Å; L166-L169 VanDerWaalsContact O-CB 3.26Å; L166-L169 WeakPolarHBondContact O-CB 3.28Å; L166-L169 PolarHBondContact O-N 2.64Å; W167-L169 VanDerWaalsContact C-N 3.33Å; L169-V172 HydrophobicContact CD1-CG2 4.04Å; L169-V172 HydrophobicContact CD2-CG2 3.41Å; L169-V172 VanDerWaalsContact CD2-CG2 3.41Å; L169-V172 HydrophobicContact CG-CG2 3.71Å
170K84.1Confident89.4Confident182 Ų18254 Ų5479%0.79124%0.238SC*.  trans-108.286.6-176.5-67.8-175.9-177.9178.30109.7R168R168-K170 PolarHBondContact O-N 3.43Å
171G81.5Confident89Confident28 Ų2858.1 Ų58.129%0.28926%0.256SS..  trans60.19617000000114.2G67 R173G67-G171 CarbonylContact O-C 3.57Å; G67-G171 VanDerWaalsContact O-CA 3.22Å; G67-G171 WeakPolarHBondContact O-CA 3.26Å; G171-R173 PolarHBondContact O-N 3Å
172V82.1Confident88.6Confident4 Ų461.7 Ų61.72%0.02427%0.273CS..  trans-79.9110.9178.9-173.80000109.3I11 I53 G67 V69 L169I11-V172 HydrophobicContact CD1-CG1 3.93Å; I11-V172 HydrophobicContact CD1-CG2 4Å; I53-V172 HydrophobicContact CD1-CB 3.64Å; I53-V172 HydrophobicContact CD1-CG1 3.74Å; I53-V172 HydrophobicContact CD1-CG2 4.06Å; I53-V172 HydrophobicContact CG1-CB 4.43Å; I53-V172 HydrophobicContact CG1-CG1 3.98Å; I53-V172 HydrophobicContact CG2-CG1 4.22Å; G67-V172 WeakPolarHBondContact CA-O 3.28Å; G67-V172 PolarHBondContact O-N 2.96Å; V69-V172 HydrophobicContact CG2-CG2 4.33Å; L169-V172 HydrophobicContact CD1-CG2 4.04Å; L169-V172 HydrophobicContact CD2-CG2 3.41Å; L169-V172 VanDerWaalsContact CD2-CG2 3.41Å; L169-V172 HydrophobicContact CG-CG2 3.71Å
173R69.6Low88.3Confident239 Ų23966.5 Ų66.590%0.90229%0.293SS*.  trans-97.80-177.5-69.5-173.8179.4-171.9-0.4112.7K51 G171K51-R173 PolarHBondContact NZ-OXT 3.09Å; G171-R173 PolarHBondContact O-N 3Å

Retrieved 173 of 173 residues in 201 ms (Link to these results)

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