A0A075BPP5_HUMAN Loading...

Methyl CpG binding protein 2

AlphaFold DB , UniProt , Accession A0A075BPP5, Species HUMAN (Homo sapiens, Human), Gene MECP2, Length 247 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
1P78.8Confident93.5Very high184 Ų184109.8 Ų109.8100%1.19561%0.607SS**  0145.30-12.630.6000111G3P1-G3 PolarHBondContact O-N 2.85Å
2Q86.9Confident93.7Very high163 Ų163101.1 Ų101.176%0.76256%0.559SS**  trans-77.124.9-169.3-60179.9-0.100115.2K4 Y15Q2-K4 PolarHBondContact O-N 3.4Å; Q2-Y15 PolarHBondContact OE1-OH 3.24Å; Q2-Y15 VanDerWaalsContact OE1-OH 3.12Å
3G93.2Very high93.9Very high76 Ų7697.5 Ų97.578%0.78454%0.537SS*.SBendtrans65.9-6-17800000116.4P1P1-G3 PolarHBondContact O-N 2.85Å
4K94.4Very high94.1Very high115 Ų11594.2 Ų94.250%0.553%0.53SS..  trans-72.6127.8-178.6-169.6172.3-179.8-176.30111.7Q2 F6 Y15Q2-K4 PolarHBondContact O-N 3.4Å; K4-F6 HydrophobicContact CB-CZ 4.4Å; K4-F6 HydrophobicContact CD-CE1 4Å; K4-F6 HydrophobicContact CD-CZ 3.76Å; K4-F6 HydrophobicContact CG-CE1 4.16Å; K4-F6 HydrophobicContact CG-CE2 4.39Å; K4-F6 HydrophobicContact CG-CZ 3.83Å; K4-Y15 HydrophobicContact CD-CD2 4.18Å; K4-Y15 HydrophobicContact CD-CE2 3.93Å
5A95.6Very high94.2Very high87 Ų8790.1 Ų90.172%0.71950%0.503SS*.  trans-101.1151.8175.300000111.6
6F96.4Very high94.3Very high51 Ų5185.6 Ų85.622%0.22448%0.476CS..  trans-126.8139.2177.1-55.5-78.2000109.2K4 E11 L12 Y15 F31K4-F6 HydrophobicContact CB-CZ 4.4Å; K4-F6 HydrophobicContact CD-CE1 4Å; K4-F6 HydrophobicContact CD-CZ 3.76Å; K4-F6 HydrophobicContact CG-CE1 4.16Å; K4-F6 HydrophobicContact CG-CE2 4.39Å; K4-F6 HydrophobicContact CG-CZ 3.83Å; F6-E11 HydrophobicContact CB-CB 4.45Å; F6-E11 HydrophobicContact CD1-CB 3.99Å; F6-L12 HydrophobicContact CB-CB 4.28Å; F6-L12 HydrophobicContact CD1-CB 4.38Å; F6-L12 HydrophobicContact CD2-CB 4.49Å; F6-L12 HydrophobicContact CD2-CD1 4.17Å; F6-L12 HydrophobicContact CG-CB 4.12Å; F6-Y15 AromaticContact CE1-CD1 3.94Å; F6-Y15 HydrophobicContact CE1-CD1 3.94Å; F6-Y15 HydrophobicContact CE1-CD2 4.4Å; F6-Y15 AromaticContact CE1-CG 3.68Å; F6-Y15 HydrophobicContact CE1-CG 3.68Å; F6-Y15 HydrophobicContact CE2-CD1 4.21Å; F6-Y15 AromaticContact CZ-CD1 3.33Å; F6-Y15 HydrophobicContact CZ-CD1 3.33Å; F6-Y15 HydrophobicContact CZ-CD2 4.32Å; F6-Y15 AromaticContact CZ-CE1 3.91Å; F6-Y15 HydrophobicContact CZ-CE1 3.91Å; F6-Y15 AromaticContact CZ-CG 3.55Å; F6-Y15 HydrophobicContact CZ-CG 3.55Å; F6-F31 HydrophobicContact CB-CE1 4.16Å
7R96.1Very high94.4Very high226 Ų22689.3 Ų89.385%0.85349%0.489SS*.SBendtrans-101.8-15.4179.5-65.6-178.2175.8133.5-1.2113.2E11R7-E11 PolarHBondContact N-OE2 3.41Å
8S96.3Very high94.4Very high39 Ų3994.4 Ų94.427%0.27351%0.506SS..SBendtrans-144.715717867.60000112.3V10 E11 L12 F31S8-V10 PolarHBondContact O-N 3.03Å; S8-E11 WeakPolarHBondContact CB-OE1 3.38Å; S8-E11 PolarHBondContact N-OE1 3.28Å; S8-E11 PolarHBondContact O-N 3.44Å; S8-E11 VanDerWaalsContact OG-CD 3.3Å; S8-E11 WeakPolarHBondContact OG-CG 3.48Å; S8-E11 PolarHBondContact OG-N 2.91Å; S8-E11 PolarHBondContact OG-OE1 3.19Å; S8-L12 PolarHBondContact O-N 2.97Å; S8-F31 WeakPolarHBondContact O-CE1 3.4Å; S8-F31 WeakPolarHBondContact O-CZ 3.45Å
9K96.4Very high94.4Very high77 Ų7793.2 Ų93.234%0.33550%0.502SS..Hα-helixtrans-58-32.7174.7-171.1-175.7176.5-173.80112.2L12 I13 P26 N27 F31K9-L12 PolarHBondContact O-N 3.07Å; K9-I13 HydrophobicContact CD-CD1 4.37Å; K9-I13 HydrophobicContact CG-CD1 3.96Å; K9-I13 HydrophobicContact CG-CG1 4.37Å; K9-I13 VanDerWaalsContact O-CG1 3.28Å; K9-I13 WeakPolarHBondContact O-CG1 3.5Å; K9-I13 PolarHBondContact O-N 2.95Å; K9-P26 WeakPolarHBondContact CE-O 3.46Å; K9-P26 HydrophobicContact CG-CB 4.11Å; K9-N27 PolarHBondContact NZ-OD1 3.33Å; K9-F31 VanDerWaalsContact CA-CE2 3.44Å; K9-F31 HydrophobicContact CB-CD2 4.05Å; K9-F31 HydrophobicContact CB-CE2 3.76Å; K9-F31 HydrophobicContact CG-CE2 4.37Å
10V97.8Very high94.4Very high108 Ų10891.4 Ų91.466%0.65551%0.506SS*.Hα-helixtrans-67-41.6180-177.60000111.4S8 L12 I13 A14S8-V10 PolarHBondContact O-N 3.03Å; V10-L12 VanDerWaalsContact C-N 3.27Å; V10-L12 PolarHBondContact O-N 3.12Å; V10-I13 PolarHBondContact O-N 2.78Å; V10-A14 WeakPolarHBondContact O-CB 3.45Å; V10-A14 PolarHBondContact O-N 2.87Å
11E96.3Very high94.3Very high82 Ų8290 Ų9038%0.38350%0.498SS..Hα-helixtrans-63.5-34.3174.5-67.7155.5-129.100112.5F6 R7 S8 Y15F6-E11 HydrophobicContact CB-CB 4.45Å; F6-E11 HydrophobicContact CD1-CB 3.99Å; R7-E11 PolarHBondContact N-OE2 3.41Å; S8-E11 WeakPolarHBondContact CB-OE1 3.38Å; S8-E11 PolarHBondContact N-OE1 3.28Å; S8-E11 PolarHBondContact O-N 3.44Å; S8-E11 VanDerWaalsContact OG-CD 3.3Å; S8-E11 WeakPolarHBondContact OG-CG 3.48Å; S8-E11 PolarHBondContact OG-N 2.91Å; S8-E11 PolarHBondContact OG-OE1 3.19Å; E11-Y15 VanDerWaalsContact O-CB 3.26Å; E11-Y15 WeakPolarHBondContact O-CB 3.28Å; E11-Y15 PolarHBondContact O-N 2.99Å; E11-Y15 VanDerWaalsContact O-N 3.1Å
12L96.3Very high94.9Very high5 Ų588 Ų883%0.02648%0.483CS..Hα-helixtrans-75-41.9179.3-177.1147.6000111.5F6 S8 K9 V10 Y15 F16 P26 F29 F31F6-L12 HydrophobicContact CB-CB 4.28Å; F6-L12 HydrophobicContact CD1-CB 4.38Å; F6-L12 HydrophobicContact CD2-CB 4.49Å; F6-L12 HydrophobicContact CD2-CD1 4.17Å; F6-L12 HydrophobicContact CG-CB 4.12Å; S8-L12 PolarHBondContact O-N 2.97Å; K9-L12 PolarHBondContact O-N 3.07Å; V10-L12 VanDerWaalsContact C-N 3.27Å; V10-L12 PolarHBondContact O-N 3.12Å; L12-Y15 PolarHBondContact O-N 2.73Å; L12-F16 HydrophobicContact CD1-CZ 4.39Å; L12-F16 HydrophobicContact CD2-CD2 3.88Å; L12-F16 HydrophobicContact CD2-CE1 4.33Å; L12-F16 HydrophobicContact CD2-CE2 3.43Å; L12-F16 VanDerWaalsContact CD2-CE2 3.43Å; L12-F16 HydrophobicContact CD2-CG 4.49Å; L12-F16 HydrophobicContact CD2-CZ 3.68Å; L12-F16 HydrophobicContact CG-CE1 4.24Å; L12-F16 HydrophobicContact CG-CE2 4.21Å; L12-F16 HydrophobicContact CG-CZ 3.97Å; L12-F16 WeakPolarHBondContact O-CG 3.47Å; L12-F16 PolarHBondContact O-N 3.25Å; L12-P26 HydrophobicContact CD2-CB 3.67Å; L12-P26 HydrophobicContact CD2-CG 3.79Å; L12-F29 HydrophobicContact CD1-CB 4.12Å; L12-F29 HydrophobicContact CD1-CD1 3.83Å; L12-F29 HydrophobicContact CD1-CD2 3.86Å; L12-F29 HydrophobicContact CD1-CE1 4.23Å; L12-F29 HydrophobicContact CD1-CE2 4.26Å; L12-F29 HydrophobicContact CD1-CG 3.63Å; L12-F29 HydrophobicContact CD1-CZ 4.44Å; L12-F29 HydrophobicContact CD2-CD2 4.05Å; L12-F31 HydrophobicContact CB-CZ 4.14Å; L12-F31 HydrophobicContact CD1-CZ 4.04Å
13I96.3Very high95.2Very high54 Ų5484.2 Ų84.228%0.27747%0.474SS..Hα-helixtrans-57.7-57170.8-69.1161.7000110.4K9 V10 Y15 F16 E17 P26K9-I13 HydrophobicContact CD-CD1 4.37Å; K9-I13 HydrophobicContact CG-CD1 3.96Å; K9-I13 HydrophobicContact CG-CG1 4.37Å; K9-I13 VanDerWaalsContact O-CG1 3.28Å; K9-I13 WeakPolarHBondContact O-CG1 3.5Å; K9-I13 PolarHBondContact O-N 2.95Å; V10-I13 PolarHBondContact O-N 2.78Å; I13-Y15 PolarHBondContact O-N 3.27Å; I13-Y15 VanDerWaalsContact O-N 3.09Å; I13-F16 PolarHBondContact O-N 3.34Å; I13-E17 HydrophobicContact CG2-CG 4.24Å; I13-E17 VanDerWaalsContact CG2-OE1 3.24Å; I13-E17 WeakPolarHBondContact CG2-OE1 3.26Å; I13-E17 WeakPolarHBondContact O-CG 3.41Å; I13-E17 PolarHBondContact O-N 2.97Å; I13-P26 HydrophobicContact CD1-CB 4.37Å; I13-P26 HydrophobicContact CG1-CB 3.66Å; I13-P26 HydrophobicContact CG1-CG 3.72Å
14A96.8Very high95.2Very high52 Ų5284.8 Ų84.843%0.4346%0.458SS..Hα-helixtrans-63.9-19.9-177.600000113.1V10 K18V10-A14 WeakPolarHBondContact O-CB 3.45Å; V10-A14 PolarHBondContact O-N 2.87Å; A14-K18 VanDerWaalsContact O-CB 3.28Å; A14-K18 WeakPolarHBondContact O-CB 3.4Å; A14-K18 PolarHBondContact O-N 3.27Å
15Y95.6Very high95.2Very high32 Ų3282.6 Ų82.613%0.12545%0.453CS..Hα-helixtrans-78.4-48.2170.1178-109.2000112.4Q2 K4 F6 E11 L12 I13 E17 K18 V19Q2-Y15 PolarHBondContact OE1-OH 3.24Å; Q2-Y15 VanDerWaalsContact OE1-OH 3.12Å; K4-Y15 HydrophobicContact CD-CD2 4.18Å; K4-Y15 HydrophobicContact CD-CE2 3.93Å; F6-Y15 AromaticContact CE1-CD1 3.94Å; F6-Y15 HydrophobicContact CE1-CD1 3.94Å; F6-Y15 HydrophobicContact CE1-CD2 4.4Å; F6-Y15 AromaticContact CE1-CG 3.68Å; F6-Y15 HydrophobicContact CE1-CG 3.68Å; F6-Y15 HydrophobicContact CE2-CD1 4.21Å; F6-Y15 AromaticContact CZ-CD1 3.33Å; F6-Y15 HydrophobicContact CZ-CD1 3.33Å; F6-Y15 HydrophobicContact CZ-CD2 4.32Å; F6-Y15 AromaticContact CZ-CE1 3.91Å; F6-Y15 HydrophobicContact CZ-CE1 3.91Å; F6-Y15 AromaticContact CZ-CG 3.55Å; F6-Y15 HydrophobicContact CZ-CG 3.55Å; E11-Y15 VanDerWaalsContact O-CB 3.26Å; E11-Y15 WeakPolarHBondContact O-CB 3.28Å; E11-Y15 PolarHBondContact O-N 2.99Å; E11-Y15 VanDerWaalsContact O-N 3.1Å; L12-Y15 PolarHBondContact O-N 2.73Å; I13-Y15 PolarHBondContact O-N 3.27Å; I13-Y15 VanDerWaalsContact O-N 3.09Å; Y15-E17 VanDerWaalsContact C-N 3.34Å; Y15-E17 PolarHBondContact O-N 3.23Å; Y15-K18 PolarHBondContact O-N 2.94Å; Y15-V19 HydrophobicContact CD1-CG2 4.46Å; Y15-V19 HydrophobicContact CD2-CG1 4.05Å; Y15-V19 HydrophobicContact CE1-CG1 4.36Å; Y15-V19 HydrophobicContact CE1-CG2 4.05Å; Y15-V19 HydrophobicContact CE2-CG1 3.47Å; Y15-V19 VanDerWaalsContact CE2-CG1 3.47Å; Y15-V19 WeakPolarHBondContact O-CG2 3.42Å; Y15-V19 PolarHBondContact O-N 3.2Å
16F95.4Very high95.2Very high19 Ų1979.6 Ų79.68%0.08343%0.425CS..Hα-helixtrans-58.3-45.5176.1-74.3-0.4000111.4L12 I13 K18 V19 G20 D21 L24 P26 F29L12-F16 HydrophobicContact CD1-CZ 4.39Å; L12-F16 HydrophobicContact CD2-CD2 3.88Å; L12-F16 HydrophobicContact CD2-CE1 4.33Å; L12-F16 HydrophobicContact CD2-CE2 3.43Å; L12-F16 VanDerWaalsContact CD2-CE2 3.43Å; L12-F16 HydrophobicContact CD2-CG 4.49Å; L12-F16 HydrophobicContact CD2-CZ 3.68Å; L12-F16 HydrophobicContact CG-CE1 4.24Å; L12-F16 HydrophobicContact CG-CE2 4.21Å; L12-F16 HydrophobicContact CG-CZ 3.97Å; L12-F16 WeakPolarHBondContact O-CG 3.47Å; L12-F16 PolarHBondContact O-N 3.25Å; I13-F16 PolarHBondContact O-N 3.34Å; F16-K18 VanDerWaalsContact C-N 3.28Å; F16-K18 PolarHBondContact O-N 2.91Å; F16-V19 PolarHBondContact O-N 3.46Å; F16-G20 CarbonylContact O-C 3.59Å; F16-G20 WeakPolarHBondContact O-CA 3.43Å; F16-G20 PolarHBondContact O-N 3.29Å; F16-D21 HydrophobicContact CB-CB 4.29Å; F16-D21 WeakPolarHBondContact CB-O 3.38Å; F16-D21 HydrophobicContact CD1-CB 3.89Å; F16-D21 HydrophobicContact CE1-CB 4.47Å; F16-D21 HydrophobicContact CG-CB 4.11Å; F16-D21 PolarHBondContact O-N 3.4Å; F16-L24 HydrophobicContact CE2-CB 3.73Å; F16-L24 VanDerWaalsContact CE2-O 3.26Å; F16-L24 WeakPolarHBondContact CE2-O 3.46Å; F16-L24 HydrophobicContact CZ-CB 3.78Å; F16-L24 HydrophobicContact CZ-CD1 3.99Å; F16-P26 HydrophobicContact CD2-CG 3.86Å; F16-P26 HydrophobicContact CE2-CG 4.12Å; F16-F29 HydrophobicContact CE2-CE2 4.38Å; F16-F29 HydrophobicContact CZ-CE2 4.15Å
17E95.7Very high95Very high148 Ų14880.9 Ų80.969%0.69244%0.435SS*.Hα-helixtrans-55.7-40.9171.7-70.4170.7172.100112.2I13 Y15I13-E17 HydrophobicContact CG2-CG 4.24Å; I13-E17 VanDerWaalsContact CG2-OE1 3.24Å; I13-E17 WeakPolarHBondContact CG2-OE1 3.26Å; I13-E17 WeakPolarHBondContact O-CG 3.41Å; I13-E17 PolarHBondContact O-N 2.97Å; Y15-E17 VanDerWaalsContact C-N 3.34Å; Y15-E17 PolarHBondContact O-N 3.23Å
18K95.7Very high94.9Very high181 Ų18176.2 Ų76.279%0.78743%0.427SS*.Hα-helixtrans-75.1-28.6-178.8-179.2167.8-178.4171.70114.2A14 Y15 F16A14-K18 VanDerWaalsContact O-CB 3.28Å; A14-K18 WeakPolarHBondContact O-CB 3.4Å; A14-K18 PolarHBondContact O-N 3.27Å; Y15-K18 PolarHBondContact O-N 2.94Å; F16-K18 VanDerWaalsContact C-N 3.28Å; F16-K18 PolarHBondContact O-N 2.91Å
19V94Very high94.7Very high71 Ų7178.2 Ų78.243%0.4343%0.431SS..Hα-helixtrans-102.8-5.7179-550000113.9Y15 F16 D21Y15-V19 HydrophobicContact CD1-CG2 4.46Å; Y15-V19 HydrophobicContact CD2-CG1 4.05Å; Y15-V19 HydrophobicContact CE1-CG1 4.36Å; Y15-V19 HydrophobicContact CE1-CG2 4.05Å; Y15-V19 HydrophobicContact CE2-CG1 3.47Å; Y15-V19 VanDerWaalsContact CE2-CG1 3.47Å; Y15-V19 WeakPolarHBondContact O-CG2 3.42Å; Y15-V19 PolarHBondContact O-N 3.2Å; F16-V19 PolarHBondContact O-N 3.46Å; V19-D21 HydrophobicContact CG2-CB 3.77Å
20G94.4Very high94.6Very high57 Ų5777.3 Ų77.359%0.58843%0.429SS*.THydrogen-bonded Turntrans77.317-17600000114.4F16 T22F16-G20 CarbonylContact O-C 3.59Å; F16-G20 WeakPolarHBondContact O-CA 3.43Å; F16-G20 PolarHBondContact O-N 3.29Å; G20-T22 PolarHBondContact O-N 3.1Å
21D91.4Very high94.3Very high64 Ų6475.8 Ų75.834%0.34241%0.414SS..  trans-7694.5-178.6-111-46.7000111.1F16 V19 S23F16-D21 HydrophobicContact CB-CB 4.29Å; F16-D21 WeakPolarHBondContact CB-O 3.38Å; F16-D21 HydrophobicContact CD1-CB 3.89Å; F16-D21 HydrophobicContact CE1-CB 4.47Å; F16-D21 HydrophobicContact CG-CB 4.11Å; F16-D21 PolarHBondContact O-N 3.4Å; V19-D21 HydrophobicContact CG2-CB 3.77Å; D21-S23 VanDerWaalsContact C-N 3.34Å; D21-S23 PolarHBondContact OD1-OG 3.04Å
22T92.2Very high94Very high142 Ų14275.2 Ų75.287%0.87142%0.417SS*.  trans-93.94168.555.90000112.6G20 L24G20-T22 PolarHBondContact O-N 3.1Å; T22-L24 VanDerWaalsContact C-N 3.31Å; T22-L24 PolarHBondContact O-N 2.96Å
23S93.6Very high93.6Very high83 Ų8382.5 Ų82.558%0.5846%0.461SS*.SBendtrans-73.6-15.9-174.1660000114.7D21D21-S23 VanDerWaalsContact C-N 3.34Å; D21-S23 PolarHBondContact OD1-OG 3.04Å
24L93.2Very high93Very high87 Ų8786.1 Ų86.146%0.45549%0.485SS..SBendtrans-138.3133.8-172.1-65.4170.9000110.1F16 T22 P26 F29F16-L24 HydrophobicContact CE2-CB 3.73Å; F16-L24 VanDerWaalsContact CE2-O 3.26Å; F16-L24 WeakPolarHBondContact CE2-O 3.46Å; F16-L24 HydrophobicContact CZ-CB 3.78Å; F16-L24 HydrophobicContact CZ-CD1 3.99Å; T22-L24 VanDerWaalsContact C-N 3.31Å; T22-L24 PolarHBondContact O-N 2.96Å; L24-P26 WeakPolarHBondContact O-CD 3.23Å; L24-F29 HydrophobicContact CB-CE2 4.19Å; L24-F29 HydrophobicContact CD1-CZ 4.3Å
25D94.7Very high92.3Very high70 Ų7084.9 Ų84.937%0.37448%0.478SS..  trans-84.8122.2176.5-173.9-10.1000111.5N27 D28 F29D25-N27 PolarHBondContact O-N 2.96Å; D25-N27 WeakPolarHBondContact OD1-CB 3.15Å; D25-N27 VanDerWaalsContact OD1-CG 3.28Å; D25-N27 PolarHBondContact OD1-N 3.49Å; D25-N27 PolarHBondContact OD1-ND2 3.09Å; D25-N27 WeakPolarHBondContact OD2-CB 3.28Å; D25-N27 PolarHBondContact OD2-ND2 3.06Å; D25-D28 PolarHBondContact O-N 2.89Å; D25-D28 VanDerWaalsContact O-N 3.15Å; D25-F29 WeakPolarHBondContact O-CD2 3.42Å
26P93.9Very high91.4Very high23 Ų2391.7 Ų91.715%0.14950%0.504CS..THydrogen-bonded Turntrans-52.5-18.2168.8-27.536.2000116.1K9 L12 I13 F16 L24K9-P26 WeakPolarHBondContact CE-O 3.46Å; K9-P26 HydrophobicContact CG-CB 4.11Å; L12-P26 HydrophobicContact CD2-CB 3.67Å; L12-P26 HydrophobicContact CD2-CG 3.79Å; I13-P26 HydrophobicContact CD1-CB 4.37Å; I13-P26 HydrophobicContact CG1-CB 3.66Å; I13-P26 HydrophobicContact CG1-CG 3.72Å; F16-P26 HydrophobicContact CD2-CG 3.86Å; F16-P26 HydrophobicContact CE2-CG 4.12Å; L24-P26 WeakPolarHBondContact O-CD 3.23Å
27N93.9Very high90.1Very high79 Ų7992.8 Ų92.842%0.42252%0.521SS..THydrogen-bonded Turntrans-71.4-31.3176.8-66.2-52.9000113.9K9 D25 F29 R36K9-N27 PolarHBondContact NZ-OD1 3.33Å; D25-N27 PolarHBondContact O-N 2.96Å; D25-N27 WeakPolarHBondContact OD1-CB 3.15Å; D25-N27 VanDerWaalsContact OD1-CG 3.28Å; D25-N27 PolarHBondContact OD1-N 3.49Å; D25-N27 PolarHBondContact OD1-ND2 3.09Å; D25-N27 WeakPolarHBondContact OD2-CB 3.28Å; D25-N27 PolarHBondContact OD2-ND2 3.06Å; N27-F29 VanDerWaalsContact C-N 3.32Å; N27-R36 PolarHBondContact O-NH1 3.49Å; N27-R36 PolarHBondContact O-NH2 2.67Å; N27-R36 VanDerWaalsContact O-NH2 3.12Å
28D93.4Very high88.4Confident128 Ų12889.8 Ų89.868%0.68452%0.516SS*.THydrogen-bonded Turntrans-74.5-27-179-71.4-27.5000111.8D25 D30D25-D28 PolarHBondContact O-N 2.89Å; D25-D28 VanDerWaalsContact O-N 3.15Å; D28-D30 PolarHBondContact O-N 2.84Å
29F92.4Very high86.9Confident80 Ų8085.5 Ų85.535%0.35151%0.507SS..  trans-70.5124.6174.1-67.9-87.1000111.6L12 F16 L24 D25 N27 F31L12-F29 HydrophobicContact CD1-CB 4.12Å; L12-F29 HydrophobicContact CD1-CD1 3.83Å; L12-F29 HydrophobicContact CD1-CD2 3.86Å; L12-F29 HydrophobicContact CD1-CE1 4.23Å; L12-F29 HydrophobicContact CD1-CE2 4.26Å; L12-F29 HydrophobicContact CD1-CG 3.63Å; L12-F29 HydrophobicContact CD1-CZ 4.44Å; L12-F29 HydrophobicContact CD2-CD2 4.05Å; F16-F29 HydrophobicContact CE2-CE2 4.38Å; F16-F29 HydrophobicContact CZ-CE2 4.15Å; L24-F29 HydrophobicContact CB-CE2 4.19Å; L24-F29 HydrophobicContact CD1-CZ 4.3Å; D25-F29 WeakPolarHBondContact O-CD2 3.42Å; N27-F29 VanDerWaalsContact C-N 3.32Å; F29-F31 HydrophobicContact CB-CE2 3.77Å; F29-F31 HydrophobicContact CB-CZ 4.3Å
30D92.9Very high85.3Confident58 Ų5885.5 Ų85.531%0.3151%0.509SS..  trans-109.8114.8-178.6-174.36.5000110.7D28 T32 G35 R36D28-D30 PolarHBondContact O-N 2.84Å; D30-T32 VanDerWaalsContact C-N 3.34Å; D30-T32 VanDerWaalsContact CG-OG1 3.28Å; D30-T32 WeakPolarHBondContact OD1-CB 3.2Å; D30-T32 PolarHBondContact OD1-N 3.38Å; D30-T32 PolarHBondContact OD1-OG1 3.42Å; D30-T32 PolarHBondContact OD2-OG1 3.28Å; D30-G35 VanDerWaalsContact OD2-CA 3.28Å; D30-G35 WeakPolarHBondContact OD2-CA 3.28Å; D30-R36 IonicContact OD1-NE 3.76Å; D30-R36 WeakPolarHBondContact OD2-CB 3.42Å; D30-R36 WeakPolarHBondContact OD2-CD 3.38Å; D30-R36 WeakPolarHBondContact OD2-CG 3.26Å; D30-R36 PolarHBondContact OD2-N 3.33Å; D30-R36 IonicContact OD2-NE 3.91Å
31F92.2Very high83.7Confident76 Ų7693 Ų9333%0.33352%0.52SS..  trans-92.87.6-178.7-66.6-92.4000112.7F6 S8 K9 L12 F29F6-F31 HydrophobicContact CB-CE1 4.16Å; S8-F31 WeakPolarHBondContact O-CE1 3.4Å; S8-F31 WeakPolarHBondContact O-CZ 3.45Å; K9-F31 VanDerWaalsContact CA-CE2 3.44Å; K9-F31 HydrophobicContact CB-CD2 4.05Å; K9-F31 HydrophobicContact CB-CE2 3.76Å; K9-F31 HydrophobicContact CG-CE2 4.37Å; L12-F31 HydrophobicContact CB-CZ 4.14Å; L12-F31 HydrophobicContact CD1-CZ 4.04Å; F29-F31 HydrophobicContact CB-CE2 3.77Å; F29-F31 HydrophobicContact CB-CZ 4.3Å
32T90.6Very high82.3Confident71 Ų7199.8 Ų99.844%0.43654%0.541SS..  trans-82.1127.7174.5620000111D30 T34 G35 R36D30-T32 VanDerWaalsContact C-N 3.34Å; D30-T32 VanDerWaalsContact CG-OG1 3.28Å; D30-T32 WeakPolarHBondContact OD1-CB 3.2Å; D30-T32 PolarHBondContact OD1-N 3.38Å; D30-T32 PolarHBondContact OD1-OG1 3.42Å; D30-T32 PolarHBondContact OD2-OG1 3.28Å; T32-T34 PolarHBondContact O-N 2.97Å; T32-T34 VanDerWaalsContact O-N 3.16Å; T32-G35 WeakPolarHBondContact O-CA 3.24Å; T32-G35 PolarHBondContact O-N 3.47Å; T32-G35 VanDerWaalsContact OG1-CA 3.23Å; T32-G35 WeakPolarHBondContact OG1-CA 3.46Å; T32-G35 PolarHBondContact OG1-O 3.15Å; T32-R36 PolarHBondContact OG1-N 3.37Å
33V87.3Confident81.3Confident157 Ų157100.3 Ų100.395%0.95253%0.533SS*.THydrogen-bonded Turntrans-62.2-26.3-176.2-178.70000112.9
34T82.9Confident80.1Confident130 Ų130103.6 Ų103.680%0.79854%0.54SS*.THydrogen-bonded Turntrans-85.3-9.9174.156.70000113.8T32T32-T34 PolarHBondContact O-N 2.97Å; T32-T34 VanDerWaalsContact O-N 3.16Å
35G82.8Confident79Confident27 Ų27107.3 Ų107.328%0.27855%0.552SS.*  trans61.8169.5-15600000113.6D30 T32 G37D30-G35 VanDerWaalsContact OD2-CA 3.28Å; D30-G35 WeakPolarHBondContact OD2-CA 3.28Å; T32-G35 WeakPolarHBondContact O-CA 3.24Å; T32-G35 PolarHBondContact O-N 3.47Å; T32-G35 VanDerWaalsContact OG1-CA 3.23Å; T32-G35 WeakPolarHBondContact OG1-CA 3.46Å; T32-G35 PolarHBondContact OG1-O 3.15Å; G35-G37 PolarHBondContact O-N 2.85Å
36R76.3Confident78Confident174 Ų174109.4 Ų109.466%0.65757%0.57SS**SBendtrans-63.914.8168-74.5158.9-171.8-176.67.2113.3N27 D30 T32N27-R36 PolarHBondContact O-NH1 3.49Å; N27-R36 PolarHBondContact O-NH2 2.67Å; N27-R36 VanDerWaalsContact O-NH2 3.12Å; D30-R36 IonicContact OD1-NE 3.76Å; D30-R36 WeakPolarHBondContact OD2-CB 3.42Å; D30-R36 WeakPolarHBondContact OD2-CD 3.38Å; D30-R36 WeakPolarHBondContact OD2-CG 3.26Å; D30-R36 PolarHBondContact OD2-N 3.33Å; D30-R36 IonicContact OD2-NE 3.91Å; T32-R36 PolarHBondContact OG1-N 3.37Å
37G68.3Low77.1Confident43 Ų43114 Ų11444%0.44360%0.6SS.*  trans76.6138.5-164.100000111.8G35G35-G37 PolarHBondContact O-N 2.85Å
38S60.5Low76.2Confident84 Ų84120.2 Ų120.259%0.58762%0.623SS**  trans-53.7129.9176.3-41.40000110.5S40 R41S38-S40 PolarHBondContact O-N 2.89Å; S38-S40 VanDerWaalsContact O-N 3.14Å; S38-R41 WeakPolarHBondContact O-CB 3.46Å; S38-R41 PolarHBondContact O-N 2.68Å
39P63.6Low75.3Confident92 Ų92123.2 Ų123.260%0.59763%0.63SS**Hα-helixtrans-50.9-42.4-178.2-30.736000113.1R41 R42 E43P39-R41 PolarHBondContact O-N 3.24Å; P39-R41 VanDerWaalsContact O-N 3.12Å; P39-R42 WeakPolarHBondContact O-CA 3.35Å; P39-R42 WeakPolarHBondContact O-CB 3.46Å; P39-R42 PolarHBondContact O-N 3.41Å; P39-E43 PolarHBondContact O-N 3.4Å
40S60.3Low74.6Confident70 Ų70125.4 Ų125.449%0.4965%0.652SS.*Hα-helixtrans-45-42171.1-177.80000114.2S38 R42 E43 Q44S38-S40 PolarHBondContact O-N 2.89Å; S38-S40 VanDerWaalsContact O-N 3.14Å; S40-R42 VanDerWaalsContact C-N 3.35Å; S40-R42 PolarHBondContact O-N 3.5Å; S40-E43 PolarHBondContact O-N 2.87Å; S40-Q44 WeakPolarHBondContact O-CG 3.37Å; S40-Q44 PolarHBondContact O-N 3.16Å
41R60.7Low73.6Confident214 Ų214132.4 Ų132.481%0.80868%0.68SS**Hα-helixtrans-73.5-25.2179.8-169.4176.8-178.7-130-1112.9S38 P39S38-R41 WeakPolarHBondContact O-CB 3.46Å; S38-R41 PolarHBondContact O-N 2.68Å; P39-R41 PolarHBondContact O-N 3.24Å; P39-R41 VanDerWaalsContact O-N 3.12Å
42R62.8Low72.5Confident208 Ų208133.7 Ų133.779%0.78570%0.698SS**Hα-helixtrans-80.1-28.1173.7-167.2-178.3-174.9-152.92.9111.8P39 S40P39-R42 WeakPolarHBondContact O-CA 3.35Å; P39-R42 WeakPolarHBondContact O-CB 3.46Å; P39-R42 PolarHBondContact O-N 3.41Å; S40-R42 VanDerWaalsContact C-N 3.35Å; S40-R42 PolarHBondContact O-N 3.5Å
43E70.2Confident71.7Confident152 Ų152136.2 Ų136.271%0.7172%0.716SS**Hα-helixtrans-89.9-25.6-177.5-73.7169.4-164.100113.5P39 S40 K45P39-E43 PolarHBondContact O-N 3.4Å; S40-E43 PolarHBondContact O-N 2.87Å; E43-K45 PolarHBondContact O-N 3.05Å
44Q69.3Low70.9Confident153 Ų153138.6 Ų138.672%0.71571%0.713SS**  trans-69.352.3164.1-71.8-163.435.700112.9S40S40-Q44 WeakPolarHBondContact O-CG 3.37Å; S40-Q44 PolarHBondContact O-N 3.16Å
45K71.1Confident70.3Confident164 Ų164136.5 Ų136.571%0.71371%0.709SS**PPolyproline II helixtrans-64.5132.6153.5-68.7172.4-175166.40106.7E43E43-K45 PolarHBondContact O-N 3.05Å
46P73.3Confident69.6Low115 Ų115141.7 Ų141.775%0.74774%0.738SS**PPolyproline II helixtrans-57.4135.8178.824-33.6000109.4K48P46-K48 PolarHBondContact O-N 3.03Å
47P74.3Confident69.2Low120 Ų120136.8 Ų136.878%0.77974%0.741SS**PPolyproline II helixtrans-57.5128.8-175.222-32.8000109.7K49P47-K49 PolarHBondContact O-N 2.7Å
48K74.6Confident68.4Low208 Ų208141.9 Ų141.990%0.90476%0.764SS**  trans-64.698.7176.6-71.6179.8-179.4173.90108.1P46P46-K48 PolarHBondContact O-N 3.03Å
49K74.9Confident68.3Low192 Ų192140.8 Ų140.884%0.83577%0.766SS**PPolyproline II helixtrans-49.3135171.5-64.6-172.4178-172.60108.6P47 K51P47-K49 PolarHBondContact O-N 2.7Å; K49-K51 PolarHBondContact O-N 3.11Å
50P77.4Confident68.1Low125 Ų125148 Ų14881%0.81278%0.782SS**PPolyproline II helixtrans-56.3138.7175.524.4-33.3000108.9S52P50-S52 PolarHBondContact O-N 3.03Å
51K71.8Confident68.2Low206 Ų206148.6 Ų148.690%0.89680%0.799SS**PPolyproline II helixtrans-63.1122.5172.7-71.3179.6178.3177.10107.3K49K49-K51 PolarHBondContact O-N 3.11Å
52S69Low68.4Low103 Ų103150.2 Ų150.272%0.7281%0.805SS**PPolyproline II helixtrans-58.1138.1170.342.90000109.5P50 K54P50-S52 PolarHBondContact O-N 3.03Å; S52-K54 PolarHBondContact O-N 3.26Å
53P75.1Confident68.4Low124 Ų124143.7 Ų143.781%0.80580%0.802SS**PPolyproline II helixtrans-59.7134.4172.425.6-33000108.8A55P53-A55 PolarHBondContact O-N 3.43Å; P53-A55 VanDerWaalsContact O-N 3.07Å
54K69.7Low68.7Low206 Ų206147.6 Ų147.690%0.89681%0.81SS**  trans-75102-177.9-172178.7-179.1-175.70108.6S52S52-K54 PolarHBondContact O-N 3.26Å
55A70.9Confident68.6Low87 Ų87145.6 Ų145.672%0.71981%0.81SS**  trans-54.2135-177.300000111.9P53 G57P53-A55 PolarHBondContact O-N 3.43Å; P53-A55 VanDerWaalsContact O-N 3.07Å; A55-G57 PolarHBondContact O-N 3.01Å; A55-G57 VanDerWaalsContact O-N 3.1Å
56P68.4Low68.4Low135 Ų135147.6 Ų147.688%0.87782%0.819SS**  trans-76.598.7-17930.2-33.9000111.7
57G67.2Low67.5Low71 Ų71145.4 Ų145.473%0.73282%0.817SS**  trans72.192.9144.900000119.2A55A55-G57 PolarHBondContact O-N 3.01Å; A55-G57 VanDerWaalsContact O-N 3.1Å
58T50.8Low66.8Low150 Ų150145.4 Ų145.492%0.9282%0.82SS**  trans-139.4149.2133.6122.70000107.5
59G59.4Low66Low61 Ų61138.8 Ų138.863%0.62981%0.811SS**  cis153.7140.90.800000109.7
60R58.3Low64.7Low245 Ų245136.2 Ų136.293%0.92581%0.812SS**  trans61.590.9175.2-53176.4-172.3-113.1-2.5115R62R60-R62 PolarHBondContact O-N 3.15Å
61G64Low63.3Low82 Ų82136.4 Ų136.485%0.84581%0.81SS**  trans-60.5122.916500000110.7G63G61-G63 PolarHBondContact O-N 3.02Å
62R63.4Low62.3Low248 Ų248135.6 Ų135.694%0.93680%0.802SS**  trans-76.5108.6176.1-64.4-173.2-178.9-154.7-1.2108.6R60 R64R60-R62 PolarHBondContact O-N 3.15Å; R62-R64 PolarHBondContact O-N 2.83Å
63G62.6Low61.2Low70 Ų70136.5 Ų136.572%0.72281%0.805SS**PPolyproline II helixtrans-56.6134.2-174.500000112.2G61G61-G63 PolarHBondContact O-N 3.02Å
64R76.1Confident59.7Low235 Ų235138.9 Ų138.989%0.88780%0.803SS**PPolyproline II helixtrans-59.9121.8170.7-179-179.2-177.2-179.72.1108.1R62 K66R62-R64 PolarHBondContact O-N 2.83Å; R64-K66 PolarHBondContact O-N 2.65Å
65P67.4Low58.2Low110 Ų110133.8 Ų133.871%0.71480%0.799SS**PPolyproline II helixtrans-57.2131.2172.824.3-32.7000108.4G67P65-G67 PolarHBondContact O-N 3.12Å
66K67.4Low56.7Low206 Ų206133.8 Ų133.890%0.89680%0.799SS**  trans-62.6114.1175.9-69.1-76.9-174.3164.90106.7R64R64-K66 PolarHBondContact O-N 2.65Å
67G54.7Low55.4Low69 Ų69134 Ų13471%0.71180%0.798SS**  trans-59.4144.3-173.800000111.3P65 G69P65-G67 PolarHBondContact O-N 3.12Å; G67-G69 PolarHBondContact O-N 2.78Å
68S59.2Low54.3Low120 Ų120135.8 Ų135.884%0.83980%0.8SS**  trans-47.8123.3-177.3-174.20000111.8T70S68-T70 PolarHBondContact O-N 2.85Å
69G58.7Low54Low69 Ų69138 Ų13871%0.71180%0.799SS**  trans-7585.4177.900000110.5G67 T71G67-G69 PolarHBondContact O-N 2.78Å; G69-T71 PolarHBondContact O-N 3.37Å
70T47.3Very low53.1Low139 Ų139138.4 Ų138.485%0.85380%0.804SS**  trans-61.7122.8172.7-172.50000110S68 R72S68-T70 PolarHBondContact O-N 2.85Å; T70-R72 PolarHBondContact O-N 3.3Å
71T48.6Very low52.4Low128 Ų128133.2 Ų133.279%0.78580%0.799SS**  trans-77.5114.2-171.7380000111G69 P73G69-T71 PolarHBondContact O-N 3.37Å; T71-P73 WeakPolarHBondContact O-CD 3.44Å
72R49Very low51.3Low190 Ų190138.3 Ų138.372%0.71780%0.801SS**  trans-55.9124.3171.4167.7-173.8177.4-161.14.2111.7T70T70-R72 PolarHBondContact O-N 3.3Å
73P45.9Very low50.8Low121 Ų121132.8 Ų132.879%0.78679%0.794SS**  trans-72140.7153.430.1-32000110.6T71T71-P73 WeakPolarHBondContact O-CD 3.44Å
74K44.8Very low50.3Low175 Ų175138.4 Ų138.476%0.76180%0.798SS**  trans-105.9113.6-178.9-85.1-178.8171.7-179.50111.7
75A38Very low49.3Very low99 Ų99139.2 Ų139.282%0.81880%0.802SS**  trans168.4150151.700000107.5
76A40.1Very low48.5Very low87 Ų87140.2 Ų140.272%0.71981%0.805SS**  cis-100164.5-14.200000109.4
77T39.4Very low48Very low138 Ų138136.4 Ų136.485%0.84779%0.794SS**  cis77.455.431.469.50000117.3
78S45.8Very low47.8Very low110 Ų110142.7 Ų142.777%0.76981%0.805SS**  trans-172.3142138.457.90000106.6
79E42.8Very low47.6Very low196 Ų196145.6 Ų145.692%0.91680%0.803SS**  cis6612942.3-165.2173-164.700113.5
80G41.3Very low47.5Very low70 Ų70147.4 Ų147.472%0.72280%0.804SS**  trans123.3105.6175.500000114.2
81V43.4Very low48Very low135 Ų135147 Ų14782%0.81880%0.804SS**  trans-68.7126.2156.3170.50000108.1
82Q41.8Very low48.4Very low190 Ų190144 Ų14489%0.88880%0.799SS**  trans-160.7135.2149.3-115.1153.1102.800113.4
83V53.4Low49.2Very low131 Ų131144.9 Ų144.979%0.79481%0.808SS**  trans-77.2169.2167.3-174.20000108.5
84K51.3Low50.2Low188 Ų188146.1 Ų146.182%0.81781%0.807SS**  trans7972.8159.4-161.1-172.6-177-1770116.3
85R55.1Low51.4Low252 Ų252146 Ų14695%0.95181%0.814SS**  trans-119.4125.1133.3-91.1-167.4-73.2147.1-4.2110.9
86V51.3Low53.1Low131 Ų131145.8 Ų145.879%0.79480%0.802SS**  trans-93.3156.6175.6166.30000108.1
87L55.3Low55Low127 Ų127149.7 Ų149.767%0.66580%0.803SS**  trans65.782168-168.669.9000116.2K89L87-K89 HydrophobicContact CD1-CB 4.36Å; L87-K89 HydrophobicContact CD1-CD 3.88Å; L87-K89 HydrophobicContact CD1-CG 3.94Å
88E51.2Low57Low201 Ų201149.8 Ų149.894%0.93980%0.795SS**  -121.1102.5123-77.2-157.3129.800108.7
89K55.3Low58.2Low180 Ų180149.4 Ų149.478%0.78379%0.791SS**  trans-84.6115.5162.7-72.3168.3-176.8171.80105.7L87L87-K89 HydrophobicContact CD1-CB 4.36Å; L87-K89 HydrophobicContact CD1-CD 3.88Å; L87-K89 HydrophobicContact CD1-CG 3.94Å
90S56.5Low58.6Low107 Ų107149.1 Ų149.175%0.74879%0.787SS**PPolyproline II helixtrans-56.2132176.547.50000110.1G92S90-G92 PolarHBondContact O-N 3.39Å; S90-G92 VanDerWaalsContact O-N 3.09Å
91P58.7Low59.2Low132 Ų132154.6 Ų154.686%0.85779%0.793SS**PPolyproline II helixtrans-59.4119.3-177.721.9-31.8000109.4
92G57.1Low59.7Low65 Ų65154.7 Ų154.767%0.6779%0.794SS**PPolyproline II helixtrans-74.4136.8-15400000114.2S90 L94S90-G92 PolarHBondContact O-N 3.39Å; S90-G92 VanDerWaalsContact O-N 3.09Å; G92-L94 PolarHBondContact O-N 3.4Å
93K65.7Low60Low208 Ų208150.7 Ų150.790%0.90479%0.787SS**  trans-75.355.2161.7-65.7-171.9178-176.80110.9L95K93-L95 PolarHBondContact O-N 3.45Å; K93-L95 VanDerWaalsContact O-N 3.14Å
94L65.6Low60Low146 Ų146151 Ų15176%0.76479%0.792SS**  trans-83.385.1178.2-153.780.8000109.1G92 V96G92-L94 PolarHBondContact O-N 3.4Å; L94-V96 VanDerWaalsContact C-N 3.27Å; L94-V96 HydrophobicContact CD2-CG2 4.01Å; L94-V96 HydrophobicContact CG-CG2 4.26Å; L94-V96 PolarHBondContact O-N 2.78Å
95L69.6Low59.4Low172 Ų172145.5 Ų145.590%0.90179%0.789SS**  trans-71.581.6177.1-68.2176.4000110.7K93 K97K93-L95 PolarHBondContact O-N 3.45Å; K93-L95 VanDerWaalsContact O-N 3.14Å; L95-K97 PolarHBondContact O-N 2.96Å
96V75.2Confident58.7Low96 Ų96137.1 Ų137.158%0.58278%0.781SS**  trans-71.3124.3175.2-178.20000109.6L94 M98L94-V96 VanDerWaalsContact C-N 3.27Å; L94-V96 HydrophobicContact CD2-CG2 4.01Å; L94-V96 HydrophobicContact CG-CG2 4.26Å; L94-V96 PolarHBondContact O-N 2.78Å; V96-M98 VanDerWaalsContact C-N 3.32Å; V96-M98 HydrophobicContact CG1-SD 4.26Å; V96-M98 PolarHBondContact O-N 3.12Å
97K78.4Confident58.1Low169 Ų169140.6 Ų140.674%0.73579%0.785SS**  trans-75.981.7177.1-178.963.1175.5177.10109.9L95L95-K97 PolarHBondContact O-N 2.96Å
98M81.6Confident57.4Low139 Ų139139.1 Ų139.169%0.68579%0.791SS**  trans-58.8139171.6-64.4-59.4-73.400110.4V96V96-M98 VanDerWaalsContact C-N 3.32Å; V96-M98 HydrophobicContact CG1-SD 4.26Å; V96-M98 PolarHBondContact O-N 3.12Å
99P70.7Confident56.8Low103 Ų103138.7 Ų138.767%0.66979%0.789SS**  trans-68.7140.217029.9-33.5000109.6Q101P99-Q101 PolarHBondContact O-N 2.85Å; P99-Q101 VanDerWaalsContact O-N 3.15Å
100F51.3Low55.7Low190 Ų190133.7 Ų133.783%0.83379%0.789SS**  trans-70.6109.8177.5-65.7-80.3000109.9
101Q55.8Low54.8Low185 Ų185132.4 Ų132.486%0.86479%0.792SS**PPolyproline II helixtrans-79.8126.7165.6-70.1-178.7-18.400109.1P99 S103P99-Q101 PolarHBondContact O-N 2.85Å; P99-Q101 VanDerWaalsContact O-N 3.15Å; Q101-S103 PolarHBondContact O-N 3.32Å
102T53.8Low53.7Low136 Ų136129.7 Ų129.783%0.83479%0.789SS**PPolyproline II helixtrans-71121.6166.846.10000109
103S47Very low53.2Low106 Ų106131.7 Ų131.774%0.74180%0.799SS**PPolyproline II helixtrans-67.8125.6-176.350.60000112.8Q101 G105Q101-S103 PolarHBondContact O-N 3.32Å; S103-G105 PolarHBondContact O-N 3.48Å
104P53.7Low52.1Low138 Ų138128.3 Ų128.390%0.89680%0.796SS**  trans-76.5105.3166.131.1-30.9000109.2
105G38.9Very low51.3Low73 Ų73127.8 Ų127.875%0.75380%0.799SS**  trans-178.469.8-175.300000112.2S103S103-G105 PolarHBondContact O-N 3.48Å
106G41Very low50Low75 Ų75124.2 Ų124.277%0.77379%0.788SS**  trans-90.9155.1-174.800000114.7
107K38.6Very low48.6Very low204 Ų204125.4 Ų125.489%0.88780%0.796SS**  trans-138.6130.2154.8-78.6-65.8-172.4176.20108.2
108A38.7Very low46.9Very low96 Ų96126 Ų12679%0.79380%0.801SS**  trans35.1138.8152.100000120.5
109E38.6Very low45.1Very low192 Ų192125.9 Ų125.990%0.89781%0.808SS**  cis-165.7167.5-16.7-151.7-166.8126.700107.6
110G33.7Very low43.9Very low75 Ų75128.9 Ų128.977%0.77382%0.815SS**  trans82.1127.5-179.300000112.8
111G37.8Very low43.9Very low80 Ų80125.6 Ų125.683%0.82581%0.81SS**  cis129.3134.63.500000110.2
112G34Very low43.9Very low76 Ų76123.5 Ų123.578%0.78480%0.804SS**  trans96.9100.5-177.300000113
113A48.4Very low43.7Very low107 Ų107126.4 Ų126.488%0.88481%0.805SS**  trans-85.4109.2163.400000108.8
114T40.7Very low44.2Very low136 Ų136131.2 Ų131.283%0.83481%0.807SS**  trans-131.4150.8165.551.70000110.9
115T49.5Very low44.2Very low136 Ų136130.9 Ų130.983%0.83480%0.804SS**  trans-72.6176.7178.548.80000112.5
116S41.9Very low45.1Very low97 Ų97131.4 Ų131.468%0.67881%0.81SS**  trans89.7126.8167.9-151.80000118
117T46.7Very low46Very low121 Ų121138 Ų13874%0.74281%0.811SS**  trans35.499142.957.30000119.1
118Q42.8Very low46.8Very low180 Ų180138.4 Ų138.484%0.84181%0.813SS**  -152.4108.4123.3-70.7-151.722.900110.7M120Q118-M120 PolarHBondContact O-N 2.91Å
119V43.3Very low48Very low137 Ų137143.9 Ų143.983%0.8381%0.813SS**  trans-78.1106.1166.3175.90000107.9V121V119-V121 PolarHBondContact O-N 3.14Å
120M46.2Very low48.8Very low167 Ų167144.5 Ų144.582%0.82381%0.813SS**  trans-69.689.3179.7-64.7-167.186.600111.3Q118 I122Q118-M120 PolarHBondContact O-N 2.91Å; M120-I122 PolarHBondContact O-N 2.87Å
121V50.1Low49.7Very low120 Ų120145.4 Ų145.473%0.72781%0.813SS**  trans-66.4100.5175.5179.50000109.5V119 K123V119-V121 PolarHBondContact O-N 3.14Å; V121-K123 PolarHBondContact O-N 3.02Å
122I57.1Low49.9Very low141 Ų141150.9 Ų150.972%0.72382%0.817SS**  trans-60.3100.7173.5-59.2177.2000108.8M120 R124M120-I122 PolarHBondContact O-N 2.87Å; I122-R124 PolarHBondContact O-N 2.96Å
123K48.5Very low50.5Low197 Ų197152 Ų15286%0.85782%0.819SS**  trans-61.299.2176.8-76.3178177.21710109.7V121 P125V121-K123 PolarHBondContact O-N 3.02Å; K123-P125 WeakPolarHBondContact O-CD 3.38Å
124R58.6Low50.3Low208 Ų208153.8 Ų153.879%0.78581%0.814SS**  trans-72.6120.4164.9-66.9-178.5-178.682.5-5.4108.3I122I122-R124 PolarHBondContact O-N 2.96Å
125P54.2Low50.7Low130 Ų130152.3 Ų152.384%0.84481%0.807SS**SBendtrans-64.2147172.827.9-33.7000110K123K123-P125 WeakPolarHBondContact O-CD 3.38Å
126G57Low50.1Low84 Ų84154.3 Ų154.387%0.86681%0.806SS**SBendtrans92.123.5163.700000119.2
127R60.6Low50Low215 Ų215154.4 Ų154.481%0.81181%0.813SS**  trans-152.5114154.6-157.6170.2179.7-154.3-3.8114.1R129R127-R129 PolarHBondContact O-N 3.46Å; R127-R129 VanDerWaalsContact O-N 3.07Å
128K54.5Low50.4Low212 Ų212156.5 Ų156.592%0.92282%0.818SS**  trans-64.6104.3167.6-68.2-94.4-171.8173.30108.9
129R64.8Low50.8Low210 Ų210153 Ų15379%0.79281%0.811SS**PPolyproline II helixtrans-83.9139.4161.5-72179.4172.5158.4-4.3108.1R127R127-R129 PolarHBondContact O-N 3.46Å; R127-R129 VanDerWaalsContact O-N 3.07Å
130K53.8Low51.3Low205 Ų205156.6 Ų156.689%0.89182%0.816SS**PPolyproline II helixtrans-65.2148161.8-73-76.3-173.3168.20107.7
131A53Low51.6Low94 Ų94158.8 Ų158.878%0.77782%0.82SS**PPolyproline II helixtrans-65.2147179.900000111
132E42.9Very low52Low195 Ų195165 Ų16591%0.91183%0.831SS**PPolyproline II helixtrans-66.9138.1160.1179.7169.2-124.700108.7
133A47Very low51.7Low100 Ų100162.2 Ų162.283%0.82684%0.836SS**  trans-152.779-175.400000111.1
134D44.3Very low52.4Low144 Ų144164.3 Ų164.377%0.7784%0.839SS**  trans-149.5135.9159.2-160.542000104.1
135P47.7Very low51.8Low106 Ų106164.3 Ų164.369%0.68885%0.845SS**  cis-128.3154.348.735.7-19.4000116.4
136Q38.3Very low51.6Low177 Ų177163.8 Ų163.883%0.82784%0.841SS**  152.8160.4119.2-80.9-170.19.700115.3
137A38.7Very low50.8Low100 Ų100163.4 Ų163.483%0.82684%0.837SS**  trans7867.7156.600000120.4
138I54.2Low49.9Very low164 Ų164158.7 Ų158.784%0.84184%0.837SS**  trans-78.6149.9141.2-67171.6000107.9
139P52Low49.1Very low107 Ų107154.3 Ų154.370%0.69583%0.828SS**  cis-123.2163.6-0.837-22.8000115.1
140K54Low47.7Very low213 Ų213150.8 Ų150.893%0.92683%0.83SS**  trans-135.884.7158.8-74.3-172.6179.1174.40113.1R142K140-R142 PolarHBondContact O-N 2.86Å
141K52.7Low46.7Very low212 Ų212144.9 Ų144.992%0.92282%0.819SS**  trans-83.194.9160.7-82.2-170178179.30110.1
142R58.8Low45.9Very low252 Ų252145 Ų14595%0.95182%0.82SS**  trans-144.2114.3160.1-100.5-172.5174.6-131.40.5108.5K140K140-R142 PolarHBondContact O-N 2.86Å
143G51.2Low45.5Very low81 Ų81140.3 Ų140.384%0.83582%0.815SS**  trans155.637.4-173.100000115.4
144R62.1Low44.9Very low242 Ų242140 Ų14091%0.91381%0.811SS**  trans-75129.3164.7-99-173.6170.7-172.5-2.1108.6
145K45.9Very low44.5Very low207 Ų207137.9 Ų137.990%0.982%0.815SS**  trans-127132.3135.5-84.2-157.3172.1-171.10109
146P51.2Low43.7Very low120 Ų120140.7 Ų140.778%0.77982%0.818SS**  trans-101173.4175.239.5-34.3000112.3
147G39.6Very low43.6Very low75 Ų75135.5 Ų135.577%0.77381%0.805SS**  trans87.2146.3178.700000112.6
148S40.8Very low43.7Very low116 Ų116139 Ų13981%0.81180%0.802SS**  cis-134146.56.5-139.20000108.1
149V38.4Very low43.1Very low120 Ų120140.4 Ų140.473%0.72780%0.802SS**  cis64.710631.9-159.10000110.9
150V34.2Very low42.9Very low137 Ų137144.9 Ų144.983%0.8381%0.811SS**  -156.5157.875.3158.50000107
151A32.9Very low42Very low80 Ų80139.2 Ų139.266%0.66180%0.803SS**  cis-119-157.813.400000111.4
152A36.1Very low41.2Very low97 Ų97135.7 Ų135.780%0.80280%0.799SS**  cis69.7154.124.900000115.6
153A34.9Very low40.5Very low97 Ų97133 Ų13380%0.80280%0.795SS**  cis-156.3164.3-0.800000109.5
154A34.3Very low40.1Very low92 Ų92138.5 Ų138.576%0.7680%0.799SS**  cis-172.1173-26.500000109.7
155A36.4Very low39.5Very low101 Ų101131.6 Ų131.684%0.83579%0.787SS**  trans71156.2163.200000117.9
156E31.7Very low39.9Very low165 Ų165127.5 Ų127.577%0.77179%0.785SS**  cis-150.9-174.1-12.8-137.9-132.310000112.6
157A35.7Very low39.9Very low67 Ų67129.1 Ų129.155%0.55479%0.785SS**  trans-79.4164.1-168.200000117
158K40.8Very low39.9Very low174 Ų174136.2 Ų136.276%0.75779%0.788SS**  175.6119.1111.3-90.8149.8-165.5161.40116.9
159K42.4Very low40.2Very low194 Ų194135.7 Ų135.784%0.84379%0.785SS**  trans54152.2133.4-61.9-170.3176.2-175.40123.5
160K45.9Very low40.3Very low201 Ų201135.8 Ų135.887%0.87479%0.786SS**  trans77.5120.5169.7-52.4-165.7-179.7-173.50114.6
161A36.4Very low40.7Very low93 Ų93136.9 Ų136.977%0.76978%0.781SS**  cis82.4130.321.300000116.6
162V35.9Very low41.8Very low138 Ų138141.1 Ų141.184%0.83679%0.788SS**  trans62.797.8170.5-168.80000117.2
163K44.3Very low42.5Very low196 Ų196142.1 Ų142.185%0.85278%0.784SS**  -162.1110.5112.1-118.8171-177173.50112.4
164E42.5Very low43.9Very low197 Ų197142.5 Ų142.592%0.92178%0.776SS**  trans-72.2123.2152.3-65.1-177.113900107.6
165S49.5Very low45.3Very low96 Ų96145.2 Ų145.267%0.67178%0.777SS**  trans-104.893.2170.958.70000109I167S165-I167 PolarHBondContact O-N 3.04Å
166S52.9Low46.4Very low121 Ų121146 Ų14685%0.84677%0.774SS**  trans-58.5106.1169.2178.70000109.7
167I52Low48Very low154 Ų154145.1 Ų145.179%0.7977%0.773SS**  trans-90122.6173.4-64.7175.9000107.3S165 S169S165-I167 PolarHBondContact O-N 3.04Å; I167-S169 PolarHBondContact O-N 2.76Å
168R40.3Very low49.3Very low224 Ų224151.2 Ų151.285%0.84579%0.787SS**  trans-60.4131.9-172.9-65176.8178165.9-2.2111.4V170R168-V170 PolarHBondContact O-N 3.14Å
169S46.2Very low50.5Low105 Ų105152.9 Ų152.973%0.73479%0.794SS**  trans-70.291.6167.656.20000110.3I167 Q171I167-S169 PolarHBondContact O-N 2.76Å; S169-Q171 PolarHBondContact O-N 3.43Å
170V40.8Very low51.5Low123 Ų123155 Ų15575%0.74580%0.797SS**  trans-70.4107.3167.4-179.60000107.7R168 E172R168-V170 PolarHBondContact O-N 3.14Å; V170-E172 HydrophobicContact CG1-CG 4.42Å; V170-E172 PolarHBondContact O-N 2.88Å
171Q43.5Very low52Low159 Ų159154.7 Ų154.774%0.74380%0.795SS**  trans-80.398.6175.5-65.4-165.915.700109.7S169 T173S169-Q171 PolarHBondContact O-N 3.43Å; Q171-T173 VanDerWaalsContact C-N 3.3Å; Q171-T173 HydrophobicContact CB-CG2 4.38Å; Q171-T173 PolarHBondContact O-N 3.23Å
172E54.3Low52.9Low169 Ų169157 Ų15779%0.7980%0.8SS**  trans-73.681.8171.7-67.5-165.6138.500110.8V170 V174V170-E172 HydrophobicContact CG1-CG 4.42Å; V170-E172 PolarHBondContact O-N 2.88Å; E172-V174 HydrophobicContact CB-CG2 4.43Å; E172-V174 PolarHBondContact O-N 3.09Å
173T50.8Low53.6Low119 Ų119161.7 Ų161.773%0.7380%0.803SS**  trans-75.765176.358.50000111.6Q171 L175Q171-T173 VanDerWaalsContact C-N 3.3Å; Q171-T173 HydrophobicContact CB-CG2 4.38Å; Q171-T173 PolarHBondContact O-N 3.23Å; T173-L175 PolarHBondContact O-N 3.15Å
174V65.3Low53.7Low105 Ų105161.2 Ų161.264%0.63680%0.804SS**  trans-74.7116.7175.8-177.10000109.8E172 I177E172-V174 HydrophobicContact CB-CG2 4.43Å; E172-V174 PolarHBondContact O-N 3.09Å; V174-I177 HydrophobicContact CG1-CD1 4.19Å; V174-I177 HydrophobicContact CG1-CG1 4.23Å
175L64.3Low53.9Low149 Ų149158.1 Ų158.178%0.7880%0.798SS**  trans-60.4149.9-178.2-67.6172.9000112.5T173 I177T173-L175 PolarHBondContact O-N 3.15Å; L175-I177 PolarHBondContact O-N 2.87Å; L175-I177 VanDerWaalsContact O-N 3.11Å
176P58.2Low53.8Low117 Ų117160 Ų16076%0.7681%0.805SS**  trans-53.4115.1-168.8-30.236.5000115.1K178P176-K178 PolarHBondContact O-N 3.4Å
177I66.4Low53.3Low147 Ų147158.9 Ų158.975%0.75480%0.798SS**  trans-75.764.7-174.5-44.5175.8000111V174 L175V174-I177 HydrophobicContact CG1-CD1 4.19Å; V174-I177 HydrophobicContact CG1-CG1 4.23Å; L175-I177 PolarHBondContact O-N 2.87Å; L175-I177 VanDerWaalsContact O-N 3.11Å
178K62.7Low53.1Low195 Ų195158.8 Ų158.885%0.84880%0.797SS**SBendtrans-124.9-0.5-172.1-133.5167.1-173.3172.50115.4P176P176-K178 PolarHBondContact O-N 3.4Å
179K66.4Low53.2Low209 Ų209156.9 Ų156.991%0.90980%0.798SS**SBendtrans-137.59.7179.3-72.9-164.9176.1-176.10116.6
180R62Low53.1Low239 Ų239158 Ų15890%0.90280%0.8SS**  trans-93.798170.5-70.7-171.5-178.1176.11.3111.2
181K56.5Low53.2Low194 Ų194161.6 Ų161.684%0.84381%0.806SS**  trans-87.7163.5148.4-75.3-174.5176.5-179.50108.1
182T57Low53.3Low142 Ų142163.4 Ų163.487%0.87181%0.814SS**SBendtrans64.1140.6179.649.80000117.4
183R49.4Very low52.6Low236 Ų236161 Ų16189%0.89181%0.811SS**  trans-17.5139.8171-70.2172165.5168.7-7.4117.3
184E46.6Very low51.8Low186 Ų186161 Ų16187%0.86981%0.81SS**  -159.6157.993.8-111.8168.7-162.500112.9
185T47.4Very low50.2Low131 Ų131165.4 Ų165.480%0.80482%0.821SS**  trans-93104.2179.943.70000109.9S187T185-S187 PolarHBondContact O-N 3.21Å
186V47.3Very low49.4Very low135 Ų135164.3 Ų164.382%0.81882%0.823SS**  trans-74.596.5171.1-178.50000108.5I188V186-I188 PolarHBondContact O-N 3.38Å
187S41.6Very low48.4Very low99 Ų99166.2 Ų166.269%0.69283%0.826SS**  trans-69.6115.6172.745.90000110.3T185 E189T185-S187 PolarHBondContact O-N 3.21Å; S187-E189 PolarHBondContact O-N 3.1Å
188I47.8Very low47Very low151 Ų151166.7 Ų166.777%0.77483%0.829SS**  trans-91.295.4169.5-58.5178000107.4V186 V190V186-I188 PolarHBondContact O-N 3.38Å; I188-V190 HydrophobicContact CG2-CG2 4.29Å; I188-V190 PolarHBondContact O-N 3.07Å
189E43.5Very low45.9Very low185 Ų185163.7 Ų163.786%0.86483%0.826SS**  trans-71.4116.5170.5-66.5-173.4130.400110S187S187-E189 PolarHBondContact O-N 3.1Å
190V43.5Very low44.5Very low127 Ų127159.4 Ų159.477%0.7782%0.823SS**  trans-111.3122.6160.3-178.10000107.1I188 E192I188-V190 HydrophobicContact CG2-CG2 4.29Å; I188-V190 PolarHBondContact O-N 3.07Å; V190-E192 PolarHBondContact O-N 3.29Å
191K43.1Very low43.2Very low200 Ų200154.1 Ų154.187%0.8782%0.818SS**  trans-59.1124.8-169.4-61.3167.1-179.8175.20112.2
192E44.7Very low42.2Very low196 Ų196153.5 Ų153.592%0.91682%0.822SS**  trans-123.1152.7157.5-168.3163.1-143.800109.6V190V190-E192 PolarHBondContact O-N 3.29Å
193V39.3Very low41.1Very low119 Ų119149.6 Ų149.672%0.72181%0.81SS**  trans-118.9112.3-151.1175.30000112.8
194V34.3Very low40.3Very low120 Ų120145.7 Ų145.773%0.72780%0.802SS**  trans61.290.2149.4-179.80000117.5
195K31.9Very low40.1Very low196 Ų196145.5 Ų145.585%0.85280%0.798SS**  175.5115.4117.7-97.4160.9-175.4177.20113.1
196P47.3Very low39.5Very low126 Ų126144.6 Ų144.682%0.81880%0.797SS**  trans-94.6142165.135.2-29.9000111.3
197L37.8Very low39.1Very low158 Ų158141.8 Ų141.883%0.82780%0.796SS**  trans-147.2101.9171.2-147.8142.6000113.5
198L37.5Very low38.9Very low156 Ų156146.5 Ų146.582%0.81780%0.804SS**  trans63.4114.4157.2-55.1-178.1000120.9
199V38.9Very low38.3Very low132 Ų132142.6 Ų142.680%0.880%0.801SS**  trans-46.5141.7152.5174.30000112.1T201V199-T201 HydrophobicContact CG1-CG2 4.18Å
200S37.8Very low38.5Very low120 Ų120142.1 Ų142.184%0.83980%0.804SS**  trans-141.9133.8143.851.30000110.6
201T34.2Very low38.5Very low128 Ų128144.6 Ų144.679%0.78580%0.804SS**  trans-105128.9-179.649.60000110.2V199V199-T201 HydrophobicContact CG1-CG2 4.18Å
202L34.3Very low38.5Very low180 Ų180141.6 Ų141.694%0.94280%0.802SS**  trans-144.6142.7161.5-165.967.9000108.7
203G33.9Very low38.1Very low60 Ų60138.1 Ų138.162%0.61980%0.798SS**  trans-147.2165.7168.700000109.3
204E33.2Very low38.3Very low154 Ų154141.9 Ų141.972%0.7281%0.805SS**  trans-173118.7147.1-85.5-129.966.600111.5
205K41.6Very low38.6Very low182 Ų182141.7 Ų141.779%0.79181%0.809SS**  trans46.4140.1135.9-54.9-177-168.5137.30122.9
206S35.3Very low39.3Very low112 Ų112138.2 Ų138.278%0.78381%0.806SS**  trans94.2118.6143-154.90000118.9
207G39.3Very low39Very low76 Ų76135.7 Ų135.778%0.78480%0.804SS**  trans-17869.3179.400000112.7
208K37.9Very low39.6Very low199 Ų199139.9 Ų139.987%0.86581%0.808SS**  trans-64.7128.7-163.5-57.7167.7-177.3172.70115.7
209G36Very low40.2Very low69 Ų69142.6 Ų142.671%0.71181%0.814SS**  trans82.2161.3157.100000116.1
210L46.7Very low40.7Very low175 Ų175141.9 Ų141.992%0.91682%0.815SS**  cis-130.5-179.514.9-80170.3000113.2
211K44.4Very low41.1Very low179 Ų179145.7 Ų145.778%0.77882%0.816SS**  trans-124.1153.3-160.853.6-165.1166.9-177.10112.3
212T41.6Very low41.5Very low136 Ų136147.9 Ų147.983%0.83482%0.817SS**  trans70.7158.917882.90000114.2
213C37.6Very low41.9Very low123 Ų123144.5 Ų144.583%0.83181%0.809SS**  cis-141.9172.217.1-140.80000113.8
214K42.5Very low42.6Very low198 Ų198146.4 Ų146.486%0.86181%0.812SS**  trans-74.3160.3179.1-71.4171.1176.4172.20112.2
215S40.8Very low43.5Very low117 Ų117145.3 Ų145.382%0.81882%0.819SS**  trans-58.1159.6176.8-33.70000113.9
216P47.1Very low43.5Very low122 Ų122146.5 Ų146.579%0.79282%0.824SS**  -132.4138.8115.636.1-28.9000113.4
217G41.5Very low43.8Very low74 Ų74145 Ų14576%0.76383%0.826SS**  trans-72.2130-178.400000113.3
218R50.3Low44Very low245 Ų245152.9 Ų152.993%0.92583%0.832SS**  trans-92.6105.5174.1-80.2-175.3146.6-146.4-6.5111.4S220R218-S220 PolarHBondContact O-N 3.24Å; R218-S220 VanDerWaalsContact O-N 3.15Å
219K50.1Low44.2Very low214 Ų214149.6 Ų149.693%0.9383%0.834SS**  trans-75.891169.9-55-177.7-174.4-1770109.4
220S49.6Very low44.6Very low117 Ų117151.5 Ų151.582%0.81884%0.836SS**PPolyproline II helixtrans-84.2122.3170.8520000110.1R218R218-S220 PolarHBondContact O-N 3.24Å; R218-S220 VanDerWaalsContact O-N 3.15Å
221K46.2Very low44.3Very low199 Ų199149 Ų14987%0.86583%0.833SS**PPolyproline II helixtrans-78.2135.1-168.1-166.1174.3-177.9177.60112.3S223K221-S223 PolarHBondContact O-N 3.46Å
222E42.7Very low44Very low175 Ų175145.2 Ų145.282%0.81884%0.836SS**PPolyproline II helixtrans-51.7130169.1-175.3-177.1166.300111.3
223S42.7Very low43.9Very low109 Ų109144.3 Ų144.376%0.76284%0.835SS**  trans-155.1114.2170.943.40000110.3K221K221-S223 PolarHBondContact O-N 3.46Å
224S48.1Very low44.3Very low99 Ų99143.8 Ų143.869%0.69283%0.833SS**  trans-75.2138.2-175.1-28.20000111.4K226S224-K226 PolarHBondContact O-N 3.27Å
225P51.3Low44.7Very low131 Ų131139.8 Ų139.885%0.85183%0.827SS**  trans-74.790173.230.7-33.9000110.7G227P225-G227 PolarHBondContact O-N 3.07Å
226K40.9Very low45Very low208 Ų208140.2 Ų140.290%0.90483%0.827SS**  trans-65.8121.5164.6-112.2178179.7174.80108.6S224S224-K226 PolarHBondContact O-N 3.27Å
227G42.6Very low44.8Very low80 Ų80144.1 Ų144.183%0.82583%0.832SS**  trans-66.6152.8-167.300000114.7P225P225-G227 PolarHBondContact O-N 3.07Å
228R44.1Very low45Very low241 Ų241150 Ų15091%0.90984%0.836SS**  trans-147.185.2170.2-165.6173.6-177.2-174.2-0.7110.6S230R228-S230 PolarHBondContact O-N 3.23Å
229S40.6Very low44.4Very low130 Ų130146 Ų14691%0.90983%0.828SS**  trans-73.8104.3173.335.60000110.6
230S44.7Very low44.2Very low109 Ų109143.2 Ų143.276%0.76282%0.818SS**  trans-96.5121.2167.853.70000110.1R228R228-S230 PolarHBondContact O-N 3.23Å
231S40.2Very low44.1Very low122 Ų122144.8 Ų144.885%0.85381%0.812SS**  trans-63.4136-179.550.90000113.5
232A38.9Very low44.4Very low100 Ų100143.6 Ų143.683%0.82681%0.809SS**  trans-127.3104.2160.100000108.4
233S40.2Very low44.8Very low117 Ų117142.9 Ų142.982%0.81881%0.805SS**  trans-93.4111.1179.251.70000110.5
234S44.9Very low45.2Very low112 Ų112145.3 Ų145.378%0.78381%0.805SS**PPolyproline II helixtrans-69.5142.1172.3-55.40000111.3
235P52.3Low45.3Very low114 Ų114148.6 Ų148.674%0.7481%0.809SS**PPolyproline II helixtrans-74.3147.8171.431.7-34.4000111.1
236P46.3Very low45.1Very low127 Ų127150 Ų15083%0.82580%0.804SS**PPolyproline II helixtrans-69.8138.7170.430.1-33.5000110.4
237K43.2Very low45.6Very low204 Ų204149.1 Ų149.189%0.88782%0.823SS**PPolyproline II helixtrans-75.7144165.7-69.1-175.5176.2-176.10108.9E239K237-E239 PolarHBondContact O-N 2.98Å
238K44.9Very low45.7Very low196 Ų196152.6 Ų152.685%0.85282%0.823SS**PPolyproline II helixtrans-67130.2165.3-76-174.4173.9-175.70109.1
239E37.9Very low45.8Very low162 Ų162147.9 Ų147.976%0.75782%0.819SS**PPolyproline II helixtrans-90.7131.3167.9-170.4160.4-142.300108.2K237K237-E239 PolarHBondContact O-N 2.98Å
240H45.2Very low46.1Very low156 Ų156148.9 Ų148.972%0.72281%0.814SS**  trans-93.2103.2177.9-85.5-103.6000109.2H242H240-H242 PolarHBondContact O-N 3.34Å
241H47.8Very low46.2Very low150 Ų150151.2 Ų151.269%0.69482%0.817SS**  trans-70.1110170.4-65.2-59.5000110
242H53.4Low46.5Very low174 Ų174153.1 Ų153.181%0.80681%0.814SS**  trans-84.9106.1162.9-73.7-87.6000108.6H240 H244H240-H242 PolarHBondContact O-N 3.34Å; H242-H244 PolarHBondContact O-N 3.26Å
243H49.7Very low47.1Very low159 Ų159156.6 Ų156.674%0.73681%0.814SS**  trans-72.8119.6167.1-77.6-90.1000109.3
244H51.9Low47.6Very low161 Ų161159.4 Ų159.475%0.74581%0.813SS**  trans-86.6108.9165.6-130.955.8000107.7H242 H246H242-H244 PolarHBondContact O-N 3.26Å; H244-H246 AromaticContact CD2-CE1 3.89Å; H244-H246 AromaticContact CD2-NE2 3.8Å
245H51.3Low47.8Very low167 Ų167163.1 Ų163.177%0.77382%0.816SS**  trans-87.4122.9166.5-95-85.1000108.7
246H46.7Very low47.4Very low162 Ų162167.2 Ų167.275%0.7582%0.822SS**  trans-93.5129.3161.7-71.3-70.5000108.8H244H244-H246 AromaticContact CD2-CE1 3.89Å; H244-H246 AromaticContact CD2-NE2 3.8Å
247S50.4Low47.5Very low188 Ų188170.8 Ų170.8100%1.31582%0.822SS**  trans-153.30165.9-650000107

Retrieved 247 of 247 residues in 69.2 ms (Link to these results)