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Forkhead box protein H1

Transcriptional activator. Recognizes and binds to the DNA sequence 5'-TGT[GT][GT]ATT-3'. Required for induction of the goosecoid (GSC) promoter by TGF-beta or activin signaling. Forms a transcriptionally active complex containing FOXH1/SMAD2/SMAD4 on a site on the GSC promoter called TARE (TGF-beta/activin response element).

AlphaFold DB , UniProt , Accession A0A096MX72, Species PAPAN (Papio anubis, Olive baboon), Gene FOXH1, Length 366 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
1M37.3Very low42.8Very low245 Ų245138 Ų138100%1.20787%0.865SS**  0134.50-67.6-163.8176.400107.5
2G42.2Very low42.9Very low74 Ų74136.8 Ų136.876%0.76386%0.86SS**  trans-67.9-169.7-17900000113.9
3P53.1Low42.8Very low134 Ų134141.2 Ų141.287%0.8786%0.863SS**  cis-140.418038.237.5-16.2000117.2
4C43.7Very low42.7Very low121 Ų121137.9 Ų137.982%0.81886%0.858SS**  trans-81.5159.4-171.9-50.10000115.5
5S44.6Very low42.7Very low132 Ų132141.3 Ų141.392%0.92386%0.86SS**  trans158.6136.1133.6-730000109.4
6G36.8Very low42.9Very low69 Ų69139.1 Ų139.171%0.71185%0.853SS**  cis-174.3165.5-3.400000110.2
7S40.4Very low42.7Very low123 Ų123138 Ų13886%0.8685%0.848SS**  trans59102.3145.8-480000121.5
8R40.3Very low42.8Very low253 Ų253136.7 Ų136.796%0.95585%0.845SS**  -164.9105.9110.9-112.8179.9-157.1-112.41.3111.3
9L40.9Very low43.3Very low178 Ų178137.9 Ų137.993%0.93284%0.841SS**PPolyproline II helixtrans-72.2117.2164.2-71.9158.8000108.3
10G43.7Very low43.4Very low65 Ų65136.5 Ų136.567%0.6783%0.834SS**PPolyproline II helixtrans-87.3136.9156.200000108.6
11P48Very low43.6Very low124 Ų124135.7 Ų135.781%0.80583%0.831SS**PPolyproline II helixtrans-72.9142.4177.328.7-30.6000110.3
12P44.2Very low44.1Very low124 Ų124132.7 Ų132.781%0.80581%0.811SS**PPolyproline II helixtrans-71.2144.9172.829.1-32.2000110.9A14P12-A14 PolarHBondContact O-N 2.64Å
13E40.9Very low44.4Very low193 Ų193140.6 Ų140.690%0.90282%0.818SS**  trans-41.5123.9171.3-134.2178.3140.600111.5E15E13-E15 PolarHBondContact O-N 3.39Å; E13-E15 VanDerWaalsContact O-N 3.13Å
14A41.8Very low44.6Very low96 Ų96145.5 Ų145.579%0.79382%0.819SS**  trans-68.6108.6176.400000109.6P12 S16P12-A14 PolarHBondContact O-N 2.64Å; A14-S16 PolarHBondContact O-N 3.31Å
15E42.7Very low44.6Very low188 Ų188148.9 Ų148.988%0.87982%0.82SS**  trans-56.3118.7169.2-157.5-179.4146.400109.5E13E13-E15 PolarHBondContact O-N 3.39Å; E13-E15 VanDerWaalsContact O-N 3.13Å
16S45.3Very low44.4Very low107 Ų107150.7 Ų150.775%0.74881%0.811SS**  trans-57.6129176.4-93.40000110.8A14 S18A14-S16 PolarHBondContact O-N 3.31Å; S16-S18 PolarHBondContact O-N 3.36Å
17P40.9Very low44.7Very low120 Ų120158.5 Ų158.578%0.77982%0.819SS**  trans-68.8110.5173.826.6-30.1000109Q19P17-Q19 PolarHBondContact O-N 3.34Å
18S44.5Very low44.9Very low114 Ų114160.8 Ų160.880%0.79781%0.81SS**  trans-44.4119.9167.844.70000110.4S16S16-S18 PolarHBondContact O-N 3.36Å
19Q51.9Low45.6Very low161 Ų161156.2 Ų156.275%0.75280%0.804SS**PPolyproline II helixtrans-59.4134.6176.6-68.5-154.3-15.800109.6P17P17-Q19 PolarHBondContact O-N 3.34Å
20P45Very low46.7Very low109 Ų109153.9 Ų153.971%0.70878%0.783SS**PPolyproline II helixtrans-59.9141.917525.1-32.4000108.8K22P20-K22 PolarHBondContact O-N 3.37Å
21P47.7Very low48Very low119 Ų119154.8 Ų154.877%0.77377%0.769SS**PPolyproline II helixtrans-54.4119.218022-32000107.9R23P21-R23 VanDerWaalsContact C-N 3.34Å; P21-R23 PolarHBondContact O-N 3.38Å
22K46.5Very low49.6Very low182 Ų182152.9 Ų152.979%0.79175%0.752SS**  trans-47.3104.2173.5-71.9-179.9-179.6175.50106.2P20 R24P20-K22 PolarHBondContact O-N 3.37Å; K22-R24 VanDerWaalsContact C-N 3.28Å; K22-R24 PolarHBondContact O-N 3.39Å
23R49.5Very low51.5Low241 Ų241151.7 Ų151.791%0.90974%0.735SS**  trans-52.9103.7174.9-83174.475.9-175.25104.4P21 K25P21-R23 VanDerWaalsContact C-N 3.34Å; P21-R23 PolarHBondContact O-N 3.38Å; R23-K25 PolarHBondContact O-N 3.02Å
24R56.3Low53.8Low236 Ų236142.7 Ų142.789%0.89169%0.693SS**  trans-55.998.7166-91.3179.4147.1-176.1-4.3103K22 K26K22-R24 VanDerWaalsContact C-N 3.28Å; K22-R24 PolarHBondContact O-N 3.39Å; R24-K26 VanDerWaalsContact C-N 3.32Å; R24-K26 PolarHBondContact O-N 3.44Å
25K45.7Very low56.1Low192 Ų192138.1 Ų138.184%0.83566%0.655SS**  trans-51.3108.9176.8-153.8170-171174.20102.5R23 R27R23-K25 PolarHBondContact O-N 3.02Å; K25-R27 VanDerWaalsContact C-N 3.28Å; K25-R27 PolarHBondContact O-N 2.77Å
26K40Very low58.4Low171 Ų171129.2 Ų129.274%0.74361%0.613SS**  trans-50109.3176.4-84.8178.5178.9177.10102.6R24 Y28R24-K26 VanDerWaalsContact C-N 3.32Å; R24-K26 PolarHBondContact O-N 3.44Å; K26-Y28 HydrophobicContact CB-CE2 4.48Å; K26-Y28 VanDerWaalsContact O-CD2 3.29Å; K26-Y28 WeakPolarHBondContact O-CD2 3.45Å; K26-Y28 PolarHBondContact O-N 3.27Å
27R43.1Very low60.8Low232 Ų232125.7 Ų125.788%0.87559%0.587SS**  trans-67.983.7172.3-75.7-172.1-79.5-167.9-3102K25 L29K25-R27 VanDerWaalsContact C-N 3.28Å; K25-R27 PolarHBondContact O-N 2.77Å; R27-L29 PolarHBondContact O-N 3.26Å
28Y43.2Very low63.5Low172 Ų172122 Ų12268%0.67556%0.558SS**  trans-42.9121.1154.6-67.3-82000102.9K26 R30K26-Y28 HydrophobicContact CB-CE2 4.48Å; K26-Y28 VanDerWaalsContact O-CD2 3.29Å; K26-Y28 WeakPolarHBondContact O-CD2 3.45Å; K26-Y28 PolarHBondContact O-N 3.27Å; Y28-R30 PolarHBondContact O-N 2.91Å
29L54.9Low66Low156 Ų156117.1 Ų117.182%0.81752%0.523SS*.  trans-61.273.5168.6-9978.7000105.9R27 H31R27-L29 PolarHBondContact O-N 3.26Å; L29-H31 PolarHBondContact O-N 3.46Å; L29-H31 VanDerWaalsContact O-N 3.17Å
30R64.1Low68.1Low129 Ų129109.5 Ų109.549%0.48749%0.487SS..  trans-66.5114164.7-70.6-69.2170.4175.3-12.5102.4Y28 D32 E72Y28-R30 PolarHBondContact O-N 2.91Å; R30-D32 PolarHBondContact O-N 3.46Å; R30-E72 WeakPolarHBondContact CA-OE1 3.35Å; R30-E72 WeakPolarHBondContact CD-OE1 3.26Å; R30-E72 WeakPolarHBondContact CD-OE2 3.18Å; R30-E72 IonicContact CZ-OE2 3.6Å; R30-E72 IonicContact NE-OE2 3.79Å; R30-E72 IonicContact NH1-OE1 3.79Å; R30-E72 IonicContact NH1-OE2 2.66Å; R30-E72 PolarHBondContact NH1-OE2 3.45Å
31H72.8Confident70.6Confident85 Ų85104.3 Ų104.339%0.39445%0.454SS..PPolyproline II helixtrans-56.5139.6174.4-70-66000106.5L29 P68 F69 E72L29-H31 PolarHBondContact O-N 3.46Å; L29-H31 VanDerWaalsContact O-N 3.17Å; H31-P68 HydrophobicContact CB-CB 4.36Å; H31-F69 HydrophobicContact CB-CB 4.25Å; H31-F69 WeakPolarHBondContact O-CD2 3.49Å; H31-E72 PolarHBondContact N-OE1 3.04Å
32D80.8Confident73Confident83 Ų8398.6 Ų98.644%0.44442%0.417SS..PPolyproline II helixtrans-74147-179.9-67.8-60.1000110R30 P34 L127 R130R30-D32 PolarHBondContact O-N 3.46Å; D32-P34 WeakPolarHBondContact O-CD 3.42Å; D32-L127 HydrophobicContact CB-CD1 3Å; D32-L127 HydrophobicContact CB-CG 4.42Å; D32-R130 IonicContact OD1-NH2 3.88Å; D32-R130 IonicContact OD2-CZ 3.71Å; D32-R130 IonicContact OD2-NH1 3.96Å; D32-R130 IonicContact OD2-NH2 2.66Å; D32-R130 PolarHBondContact OD2-NH2 3.44Å
33K84.2Confident75.4Confident100 Ų10090 Ų9044%0.43538%0.379SS..PPolyproline II helixtrans-56.6127.5176.5-177177.2176.7-173.30110.1F69K33-F69 HydrophobicContact CB-CD1 4.11Å; K33-F69 HydrophobicContact CB-CD2 4.29Å; K33-F69 HydrophobicContact CB-CE1 3.83Å; K33-F69 HydrophobicContact CB-CE2 3.97Å; K33-F69 HydrophobicContact CB-CG 4.32Å; K33-F69 HydrophobicContact CB-CZ 3.73Å; K33-F69 HydrophobicContact CD-CE1 4.18Å; K33-F69 HydrophobicContact CD-CZ 4.35Å; K33-F69 HydrophobicContact CG-CD1 4.02Å; K33-F69 HydrophobicContact CG-CE1 3.65Å; K33-F69 HydrophobicContact CG-CZ 4Å
34P88Confident77.6Confident3 Ų378.9 Ų78.92%0.01934%0.338CS..PPolyproline II helixtrans-57.6133.6173.8-22.130.2000110.5D32 Y36 M41 F67 F69 F70 F140D32-P34 WeakPolarHBondContact O-CD 3.42Å; P34-Y36 HydrophobicContact CB-CD2 4.19Å; P34-Y36 PolarHBondContact O-N 3.34Å; P34-M41 HydrophobicContact CB-SD 4.18Å; P34-M41 HydrophobicContact CG-SD 4.41Å; P34-F67 HydrophobicContact CB-CD1 3.75Å; P34-F67 HydrophobicContact CB-CE1 4.13Å; P34-F67 HydrophobicContact CB-CG 4.37Å; P34-F67 HydrophobicContact CG-CB 3.7Å; P34-F67 HydrophobicContact CG-CD1 3.53Å; P34-F67 HydrophobicContact CG-CE1 4.4Å; P34-F67 HydrophobicContact CG-CG 3.8Å; P34-F69 HydrophobicContact CG-CB 4.34Å; P34-F70 HydrophobicContact CG-CE2 4.04Å; P34-F140 HydrophobicContact CB-CE1 4.48Å; P34-F140 HydrophobicContact CB-CE2 4.25Å; P34-F140 HydrophobicContact CB-CZ 3.99Å; P34-F140 HydrophobicContact CG-CZ 4.3Å
35P90Very high79.6Confident0 Ų067.8 Ų67.80%030%0.296CS..SBendtrans-81.148178.237.4-39.6000111.9L122 Q123 T125 L127 C128 F140P35-L122 HydrophobicContact CB-CD1 4.02Å; P35-L122 HydrophobicContact CB-CG 4.19Å; P35-L122 HydrophobicContact CG-CD1 3.36Å; P35-L122 HydrophobicContact CG-CG 4Å; P35-Q123 PolarHBondContact O-N 2.95Å; P35-T125 HydrophobicContact CB-CG2 3.98Å; P35-L127 HydrophobicContact CB-CD2 4.49Å; P35-L127 HydrophobicContact CG-CD2 3.97Å; P35-C128 WeakPolarHBondContact CB-SG 3.09Å; P35-C128 WeakPolarHBondContact CG-SG 3.29Å; P35-F140 HydrophobicContact CG-CB 4.31Å; P35-F140 HydrophobicContact CG-CD2 3.5Å; P35-F140 VanDerWaalsContact CG-CD2 3.5Å; P35-F140 HydrophobicContact CG-CE2 4.22Å; P35-F140 HydrophobicContact CG-CG 4.19Å
36Y92.9Very high82Confident2 Ų258.6 Ų58.61%0.00826%0.256CS..SBendtrans-124.4149.5174.3-61.8-62.6000109.4P34 F67 L122 F140 A141 L144 Y154P34-Y36 HydrophobicContact CB-CD2 4.19Å; P34-Y36 PolarHBondContact O-N 3.34Å; Y36-F67 AromaticContact CD2-CE1 3.79Å; Y36-F67 HydrophobicContact CD2-CE1 3.79Å; Y36-F67 HydrophobicContact CD2-CZ 4.06Å; Y36-F67 AromaticContact CE2-CE1 3.92Å; Y36-F67 HydrophobicContact CE2-CE1 3.92Å; Y36-F67 HydrophobicContact CE2-CZ 4.36Å; Y36-L122 HydrophobicContact CD1-CD1 4.16Å; Y36-L122 HydrophobicContact CE1-CD1 3.65Å; Y36-F140 HydrophobicContact CE2-CB 4Å; Y36-F140 AromaticContact CE2-CD1 3.61Å; Y36-F140 HydrophobicContact CE2-CD1 3.61Å; Y36-F140 HydrophobicContact CE2-CE1 4.29Å; Y36-F140 AromaticContact CE2-CG 3.87Å; Y36-F140 HydrophobicContact CE2-CG 3.87Å; Y36-F140 WeakPolarHBondContact OH-CB 3.31Å; Y36-A141 WeakPolarHBondContact CE1-O 3.45Å; Y36-A141 PolarHBondContact OH-N 3.29Å; Y36-A141 PolarHBondContact OH-O 2.75Å; Y36-L144 HydrophobicContact CD1-CD1 3.52Å; Y36-L144 HydrophobicContact CD1-CG 4.01Å; Y36-L144 HydrophobicContact CD2-CD1 4.14Å; Y36-L144 HydrophobicContact CE1-CD1 3.57Å; Y36-L144 HydrophobicContact CE1-CD2 4.09Å; Y36-L144 HydrophobicContact CE1-CG 3.56Å; Y36-L144 HydrophobicContact CE2-CD1 4.16Å; Y36-L144 HydrophobicContact CE2-CD2 4.5Å; Y36-L144 HydrophobicContact CG-CD1 3.8Å; Y36-Y154 PolarHBondContact OH-OH 3.38Å
37T95.3Very high84.7Confident33 Ų3351.2 Ų51.220%0.20223%0.225CC..  trans-64.2153.1170.462.60000110L39 A40 M41 A119 Q123T37-L39 PolarHBondContact O-N 3.35Å; T37-A40 PolarHBondContact O-N 3.46Å; T37-A40 VanDerWaalsContact OG1-CB 3.28Å; T37-A40 WeakPolarHBondContact OG1-CB 3.41Å; T37-A40 PolarHBondContact OG1-N 3.09Å; T37-M41 WeakPolarHBondContact O-CG 3.21Å; T37-M41 PolarHBondContact O-N 3.16Å; T37-A119 PolarHBondContact OG1-O 2.93Å; T37-Q123 HydrophobicContact CG2-CG 4.19Å; T37-Q123 VanDerWaalsContact CG2-NE2 3.29Å
38Y96.7Very high87.1Confident43 Ų4343.4 Ų43.417%0.16921%0.21CC..Hα-helixtrans-58-39.4171.7-72.7-68000111.4A40 M41 I42 F70 W77 I81Y38-A40 PolarHBondContact O-N 3.23Å; Y38-M41 HydrophobicContact CD1-CE 3.56Å; Y38-M41 HydrophobicContact CE1-CE 4.02Å; Y38-M41 HydrophobicContact CG-CE 4.16Å; Y38-M41 PolarHBondContact O-N 2.96Å; Y38-I42 WeakPolarHBondContact O-CB 3.49Å; Y38-I42 WeakPolarHBondContact O-CD1 3.3Å; Y38-I42 WeakPolarHBondContact O-CG1 3.27Å; Y38-I42 PolarHBondContact O-N 3.25Å; Y38-F70 HydrophobicContact CE1-CE1 4.03Å; Y38-F70 HydrophobicContact CE1-CZ 4.11Å; Y38-W77 HydrophobicContact CE1-CB 4.41Å; Y38-I81 HydrophobicContact CD1-CD1 3.75Å; Y38-I81 HydrophobicContact CE1-CD1 4.4Å
39L97.2Very high89.6Confident11 Ų1135.7 Ų35.76%0.05818%0.181CC..Hα-helixtrans-51.8-53.7172.7-173.1162.2000111.3T37 M41 I42 A43 N88 F91 I115 A119T37-L39 PolarHBondContact O-N 3.35Å; L39-M41 PolarHBondContact O-N 3.34Å; L39-I42 PolarHBondContact O-N 3.2Å; L39-A43 WeakPolarHBondContact O-CB 3.27Å; L39-A43 PolarHBondContact O-N 2.85Å; L39-N88 HydrophobicContact CD1-CB 4.14Å; L39-F91 HydrophobicContact CB-CE2 4.46Å; L39-F91 HydrophobicContact CG-CE2 4.03Å; L39-F91 HydrophobicContact CG-CZ 4.1Å; L39-I115 HydrophobicContact CD2-CG2 4.01Å; L39-A119 HydrophobicContact CD1-CB 4.25Å; L39-A119 HydrophobicContact CD2-CB 3.98Å
40A96.7Very high91.4Very high0 Ų034.8 Ų34.80%019%0.185CC..Hα-helixtrans-62.4-43-17900000112.7T37 Y38 A43 L44 A119 L120 L144T37-A40 PolarHBondContact O-N 3.46Å; T37-A40 VanDerWaalsContact OG1-CB 3.28Å; T37-A40 WeakPolarHBondContact OG1-CB 3.41Å; T37-A40 PolarHBondContact OG1-N 3.09Å; Y38-A40 PolarHBondContact O-N 3.23Å; A40-A43 PolarHBondContact O-N 2.83Å; A40-L44 VanDerWaalsContact O-CB 3.26Å; A40-L44 WeakPolarHBondContact O-CB 3.5Å; A40-L44 PolarHBondContact O-N 2.96Å; A40-A119 WeakPolarHBondContact CB-O 3.47Å; A40-L120 HydrophobicContact CB-CD2 3.89Å; A40-L144 HydrophobicContact CB-CD1 3.98Å
41M96.7Very high92.9Very high0 Ų031.8 Ų31.80%018%0.183CC..Hα-helixtrans-63.8-42.6178-66.8-173.9-71.800111.9P34 T37 Y38 L39 V45 F67 F70P34-M41 HydrophobicContact CB-SD 4.18Å; P34-M41 HydrophobicContact CG-SD 4.41Å; T37-M41 WeakPolarHBondContact O-CG 3.21Å; T37-M41 PolarHBondContact O-N 3.16Å; Y38-M41 HydrophobicContact CD1-CE 3.56Å; Y38-M41 HydrophobicContact CE1-CE 4.02Å; Y38-M41 HydrophobicContact CG-CE 4.16Å; Y38-M41 PolarHBondContact O-N 2.96Å; L39-M41 PolarHBondContact O-N 3.34Å; M41-V45 PolarHBondContact O-N 3.12Å; M41-F67 HydrophobicContact CB-CD2 4.45Å; M41-F67 HydrophobicContact CB-CE2 3.79Å; M41-F67 HydrophobicContact CB-CZ 4.41Å; M41-F67 HydrophobicContact CG-CD2 4.16Å; M41-F67 HydrophobicContact CG-CE2 3.52Å; M41-F67 HydrophobicContact CG-CZ 3.76Å; M41-F67 HydrophobicContact SD-CD2 3.88Å; M41-F67 HydrophobicContact SD-CE2 3.85Å; M41-F67 HydrophobicContact SD-CG 4.27Å; M41-F67 HydrophobicContact SD-CZ 4.22Å; M41-F70 HydrophobicContact CE-CE2 4.13Å; M41-F70 HydrophobicContact CE-CZ 3.82Å; M41-F70 HydrophobicContact SD-CE2 3.7Å; M41-F70 HydrophobicContact SD-CZ 4.01Å
42I97.8Very high94Very high0 Ų032.8 Ų32.80%018%0.184CC..Hα-helixtrans-65.9-47.1177.7-66.3163.6000110.4Y38 L39 L44 V45 I46 I59 I81 N84 L85 F91Y38-I42 WeakPolarHBondContact O-CB 3.49Å; Y38-I42 WeakPolarHBondContact O-CD1 3.3Å; Y38-I42 WeakPolarHBondContact O-CG1 3.27Å; Y38-I42 PolarHBondContact O-N 3.25Å; L39-I42 PolarHBondContact O-N 3.2Å; I42-L44 VanDerWaalsContact C-N 3.31Å; I42-L44 PolarHBondContact O-N 3.2Å; I42-V45 WeakPolarHBondContact O-CG2 3.49Å; I42-V45 PolarHBondContact O-N 3.28Å; I42-I46 HydrophobicContact CG2-CD1 3.71Å; I42-I46 HydrophobicContact CG2-CG1 4.35Å; I42-I46 WeakPolarHBondContact O-CG1 3.34Å; I42-I46 PolarHBondContact O-N 3.29Å; I42-I59 HydrophobicContact CG1-CG2 4.16Å; I42-I59 HydrophobicContact CG2-CG2 4.16Å; I42-I81 HydrophobicContact CD1-CD1 3.78Å; I42-I81 HydrophobicContact CD1-CG2 4.11Å; I42-I81 HydrophobicContact CG1-CD1 3.71Å; I42-I81 HydrophobicContact CG1-CG2 4.4Å; I42-N84 HydrophobicContact CD1-CB 3.83Å; I42-L85 HydrophobicContact CD1-CG 4.43Å; I42-L85 HydrophobicContact CG2-CD2 3.77Å; I42-F91 HydrophobicContact CB-CE1 4.16Å; I42-F91 HydrophobicContact CB-CE2 4.42Å; I42-F91 HydrophobicContact CB-CZ 3.74Å; I42-F91 HydrophobicContact CD1-CE2 4.46Å; I42-F91 HydrophobicContact CG2-CD1 4.17Å; I42-F91 HydrophobicContact CG2-CE1 3.51Å; I42-F91 HydrophobicContact CG2-CE2 4.22Å; I42-F91 HydrophobicContact CG2-CZ 3.54Å
43A97.4Very high94.7Very high0 Ų033.7 Ų33.70%018%0.181CC..Hα-helixtrans-59.4-44.1179.100000111L39 A40 V45 I46 Q47 F91 V110 I115 V148L39-A43 WeakPolarHBondContact O-CB 3.27Å; L39-A43 PolarHBondContact O-N 2.85Å; A40-A43 PolarHBondContact O-N 2.83Å; A43-V45 PolarHBondContact O-N 2.97Å; A43-I46 PolarHBondContact O-N 2.94Å; A43-Q47 WeakPolarHBondContact O-CB 3.17Å; A43-Q47 WeakPolarHBondContact O-CG 3.3Å; A43-Q47 PolarHBondContact O-N 2.94Å; A43-F91 HydrophobicContact CB-CE1 4.39Å; A43-F91 HydrophobicContact CB-CZ 4.5Å; A43-V110 HydrophobicContact CB-CG2 4.23Å; A43-I115 HydrophobicContact CB-CD1 4.07Å; A43-V148 HydrophobicContact CB-CG1 3.81Å; A43-V148 HydrophobicContact CB-CG2 4.46Å
44L96.6Very high95.4Very high8 Ų829.8 Ų29.84%0.04217%0.165CC..Hα-helixtrans-57-48.7176.5-176.867.6000112.7A40 I42 Q47 A48 V66 F67 L144 V148 Y154A40-L44 VanDerWaalsContact O-CB 3.26Å; A40-L44 WeakPolarHBondContact O-CB 3.5Å; A40-L44 PolarHBondContact O-N 2.96Å; I42-L44 VanDerWaalsContact C-N 3.31Å; I42-L44 PolarHBondContact O-N 3.2Å; L44-Q47 PolarHBondContact O-N 2.98Å; L44-A48 WeakPolarHBondContact O-CB 3.44Å; L44-A48 PolarHBondContact O-N 3.17Å; L44-V66 HydrophobicContact CD2-CG1 4.49Å; L44-F67 HydrophobicContact CD2-CZ 4.06Å; L44-L144 HydrophobicContact CD1-CD2 4.48Å; L44-L144 HydrophobicContact CD2-CD1 4.3Å; L44-L144 HydrophobicContact CD2-CD2 4.2Å; L44-V148 HydrophobicContact CB-CG2 4.14Å; L44-V148 HydrophobicContact CD1-CG2 4.11Å; L44-Y154 HydrophobicContact CD1-CD1 4.48Å; L44-Y154 HydrophobicContact CD1-CG 4.03Å; L44-Y154 HydrophobicContact CD2-CD1 3.62Å; L44-Y154 HydrophobicContact CD2-CD2 4.44Å; L44-Y154 HydrophobicContact CD2-CE1 3.83Å; L44-Y154 HydrophobicContact CD2-CG 3.93Å; L44-Y154 HydrophobicContact CG-CD1 4.46Å; L44-Y154 HydrophobicContact CG-CG 4.48Å
45V97Very high95.8Very high3 Ų333.4 Ų33.42%0.01818%0.18CC..Hα-helixtrans-71.7-33.4-177.7-62.10000113M41 I42 A43 A49 I59 Q62 V63 V66M41-V45 PolarHBondContact O-N 3.12Å; I42-V45 WeakPolarHBondContact O-CG2 3.49Å; I42-V45 PolarHBondContact O-N 3.28Å; A43-V45 PolarHBondContact O-N 2.97Å; V45-A49 PolarHBondContact O-N 3.46Å; V45-I59 HydrophobicContact CG2-CG2 4.11Å; V45-Q62 HydrophobicContact CB-CB 3.92Å; V45-Q62 HydrophobicContact CB-CG 3.67Å; V45-Q62 HydrophobicContact CG1-CB 4Å; V45-Q62 HydrophobicContact CG1-CG 3.69Å; V45-Q62 HydrophobicContact CG2-CB 4.48Å; V45-V63 HydrophobicContact CG1-CG2 4.15Å; V45-V63 HydrophobicContact CG2-CG2 4.1Å; V45-V66 HydrophobicContact CG1-CG2 4.18Å
46I97.2Very high96.1Very high0 Ų036 Ų360%019%0.194CC..Hα-helixtrans-68.8-42.7175.3-67.5175.2000110.2I42 A43 A48 A49 R52 L54 I59 F91 W108 V110I42-I46 HydrophobicContact CG2-CD1 3.71Å; I42-I46 HydrophobicContact CG2-CG1 4.35Å; I42-I46 WeakPolarHBondContact O-CG1 3.34Å; I42-I46 PolarHBondContact O-N 3.29Å; A43-I46 PolarHBondContact O-N 2.94Å; I46-A48 VanDerWaalsContact C-N 3.32Å; I46-A48 PolarHBondContact O-N 2.77Å; I46-A49 WeakPolarHBondContact O-CB 3.2Å; I46-A49 PolarHBondContact O-N 3.06Å; I46-A49 VanDerWaalsContact O-N 3.15Å; I46-R52 VanDerWaalsContact CG2-O 3.3Å; I46-R52 WeakPolarHBondContact CG2-O 3.42Å; I46-L54 HydrophobicContact CG1-CB 4.49Å; I46-L54 HydrophobicContact CG1-CD1 4.37Å; I46-I59 HydrophobicContact CD1-CD1 3.93Å; I46-I59 HydrophobicContact CG1-CD1 4.2Å; I46-I59 HydrophobicContact CG1-CG1 4.25Å; I46-F91 HydrophobicContact CD1-CD1 4.26Å; I46-F91 HydrophobicContact CD1-CE1 4.3Å; I46-W108 HydrophobicContact CD1-CB 4.37Å; I46-V110 HydrophobicContact CB-CG1 4.35Å; I46-V110 HydrophobicContact CG2-CB 4.32Å; I46-V110 HydrophobicContact CG2-CG1 3.9Å
47Q95.9Very high96.3Very high16 Ų1638.8 Ų38.88%0.07522%0.217CC..Hα-helixtrans-69.7-29.7-179.8-69-68.479.800113.2A43 L44 A49 R52 V110 V148A43-Q47 WeakPolarHBondContact O-CB 3.17Å; A43-Q47 WeakPolarHBondContact O-CG 3.3Å; A43-Q47 PolarHBondContact O-N 2.94Å; L44-Q47 PolarHBondContact O-N 2.98Å; Q47-A49 VanDerWaalsContact C-N 3.25Å; Q47-A49 PolarHBondContact O-N 3.08Å; Q47-R52 VanDerWaalsContact O-CD 3.27Å; Q47-R52 WeakPolarHBondContact O-CD 3.35Å; Q47-R52 PolarHBondContact O-NE 2.77Å; Q47-R52 VanDerWaalsContact O-NE 3.16Å; Q47-V110 HydrophobicContact CG-CG1 3.71Å; Q47-V110 VanDerWaalsContact OE1-CG1 3.31Å; Q47-V148 HydrophobicContact CG-CG1 4.05Å; Q47-V148 WeakPolarHBondContact CG-O 3.3Å; Q47-V148 PolarHBondContact NE2-O 3.19Å
48A94.1Very high96.4Very high68 Ų6840.3 Ų40.356%0.56222%0.222SC*.Hα-helixtrans-72.7-18173.500000113.1L44 I46L44-A48 WeakPolarHBondContact O-CB 3.44Å; L44-A48 PolarHBondContact O-N 3.17Å; I46-A48 VanDerWaalsContact C-N 3.32Å; I46-A48 PolarHBondContact O-N 2.77Å
49A94.4Very high96.5Very high9 Ų938.2 Ų38.27%0.07421%0.214CC..SBendtrans-73.9138.7178.100000110.7V45 I46 Q47 S51 R52 L54V45-A49 PolarHBondContact O-N 3.46Å; I46-A49 WeakPolarHBondContact O-CB 3.2Å; I46-A49 PolarHBondContact O-N 3.06Å; I46-A49 VanDerWaalsContact O-N 3.15Å; Q47-A49 VanDerWaalsContact C-N 3.25Å; Q47-A49 PolarHBondContact O-N 3.08Å; A49-S51 PolarHBondContact O-N 3.19Å; A49-R52 PolarHBondContact O-N 2.78Å; A49-L54 HydrophobicContact CB-CD1 4.14Å; A49-L54 HydrophobicContact CB-CD2 3.71Å; A49-L54 HydrophobicContact CB-CG 3.83Å
50P93.8Very high96.5Very high137 Ų13738.7 Ų38.789%0.8922%0.216SC*.THydrogen-bonded Turntrans-61.2-33.8-17722.5-32.6000112.5R52P50-R52 VanDerWaalsContact C-N 3.32Å
51S94.5Very high96.4Very high66 Ų6646.1 Ų46.146%0.46224%0.244SC..THydrogen-bonded Turntrans-84.5-1.4178.258.10000114.2A49 R53A49-S51 PolarHBondContact O-N 3.19Å; S51-R53 WeakPolarHBondContact O-CG 3.33Å; S51-R53 PolarHBondContact O-N 3.12Å; S51-R53 PolarHBondContact OG-O 3.13Å
52R95.7Very high96.4Very high107 Ų10749.1 Ų49.140%0.40426%0.258SS..SBendtrans50.623.2-173.4-57.4-62-171.8118.1-2.3114.5I46 Q47 A49 P50I46-R52 VanDerWaalsContact CG2-O 3.3Å; I46-R52 WeakPolarHBondContact CG2-O 3.42Å; Q47-R52 VanDerWaalsContact O-CD 3.27Å; Q47-R52 WeakPolarHBondContact O-CD 3.35Å; Q47-R52 PolarHBondContact O-NE 2.77Å; Q47-R52 VanDerWaalsContact O-NE 3.16Å; A49-R52 PolarHBondContact O-N 2.78Å; P50-R52 VanDerWaalsContact C-N 3.32Å
53R96.8Very high96.3Very high102 Ų10249.1 Ų49.139%0.38526%0.258SS..EExtended strand (participates in β ladder)trans-150.4139.1179.670.2-173.2173.5158-3.4111S51 F107 W108 A109S51-R53 WeakPolarHBondContact O-CG 3.33Å; S51-R53 PolarHBondContact O-N 3.12Å; S51-R53 PolarHBondContact OG-O 3.13Å; R53-F107 HydrophobicContact CB-CB 4.14Å; R53-F107 HydrophobicContact CG-CB 4.22Å; R53-F107 HydrophobicContact CG-CD1 4.09Å; R53-F107 HydrophobicContact CG-CG 4.21Å; R53-W108 CarbonylContact C-O 3.54Å; R53-W108 WeakPolarHBondContact CA-O 3.27Å; R53-A109 HydrophobicContact CB-CB 4.31Å
54L97.6Very high96.1Very high18 Ų1851.3 Ų51.39%0.09427%0.268CS..EExtended strand (participates in β ladder)trans-138.1149.7-177.7-70179.7000111.5I46 A49 Q58 I59 W108I46-L54 HydrophobicContact CG1-CB 4.49Å; I46-L54 HydrophobicContact CG1-CD1 4.37Å; A49-L54 HydrophobicContact CB-CD1 4.14Å; A49-L54 HydrophobicContact CB-CD2 3.71Å; A49-L54 HydrophobicContact CB-CG 3.83Å; L54-Q58 HydrophobicContact CB-CB 4.13Å; L54-Q58 HydrophobicContact CD2-CB 4Å; L54-Q58 HydrophobicContact CG-CB 4.48Å; L54-I59 HydrophobicContact CB-CD1 4.31Å; L54-I59 HydrophobicContact CB-CG1 3.66Å; L54-I59 HydrophobicContact CD1-CG1 4.19Å; L54-W108 PolarHBondContact N-O 3.28Å; L54-W108 PolarHBondContact O-N 2.77Å
55K97.4Very high95.9Very high79 Ų7953 Ų5334%0.34328%0.284SS..EExtended strand (participates in β ladder)trans-73.6155.1167.3-64.2176-178.1169.60109.7A57 Q58 I59 F107K55-A57 VanDerWaalsContact C-N 3.25Å; K55-A57 PolarHBondContact O-N 3.06Å; K55-A57 VanDerWaalsContact O-N 3.17Å; K55-Q58 HydrophobicContact CB-CG 4.38Å; K55-Q58 WeakPolarHBondContact O-CA 3.12Å; K55-Q58 WeakPolarHBondContact O-CB 3.4Å; K55-Q58 PolarHBondContact O-N 3.26Å; K55-I59 PolarHBondContact O-N 3.29Å; K55-F107 HydrophobicContact CD-CE1 4.44Å; K55-F107 HydrophobicContact CG-CD1 3.88Å; K55-F107 HydrophobicContact CG-CE1 3.88Å
56L97.1Very high95.6Very high54 Ų5453.4 Ų53.428%0.28329%0.286SS..Hα-helixtrans-48.8-46.4175.7175.363.2000112.7Q58 I59 I60 I81 R82 L85L56-Q58 VanDerWaalsContact C-N 3.26Å; L56-Q58 PolarHBondContact O-N 3.2Å; L56-I59 PolarHBondContact O-N 3.26Å; L56-I60 HydrophobicContact CD1-CD1 4.12Å; L56-I60 HydrophobicContact CD1-CG1 4.38Å; L56-I60 HydrophobicContact CG-CD1 4.08Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 2.93Å; L56-I81 HydrophobicContact CD1-CG2 4.03Å; L56-R82 HydrophobicContact CD1-CG 3.98Å; L56-R82 HydrophobicContact CD2-CG 3.78Å; L56-L85 HydrophobicContact CD1-CD1 3.65Å
57A96.9Very high95.3Very high60 Ų6053.4 Ų53.450%0.49629%0.286SS..Hα-helixtrans-64.2-28.6178.200000113.4K55 R61K55-A57 VanDerWaalsContact C-N 3.25Å; K55-A57 PolarHBondContact O-N 3.06Å; K55-A57 VanDerWaalsContact O-N 3.17Å; A57-R61 WeakPolarHBondContact O-CG 3.33Å; A57-R61 PolarHBondContact O-N 2.97Å; A57-R61 PolarHBondContact O-NE 3Å
58Q97.3Very high94.9Very high65 Ų6554.6 Ų54.630%0.30430%0.295SS..Hα-helixtrans-76-41173.8-69170-5700111.1L54 K55 L56 I60 R61 Q62L54-Q58 HydrophobicContact CB-CB 4.13Å; L54-Q58 HydrophobicContact CD2-CB 4Å; L54-Q58 HydrophobicContact CG-CB 4.48Å; K55-Q58 HydrophobicContact CB-CG 4.38Å; K55-Q58 WeakPolarHBondContact O-CA 3.12Å; K55-Q58 WeakPolarHBondContact O-CB 3.4Å; K55-Q58 PolarHBondContact O-N 3.26Å; L56-Q58 VanDerWaalsContact C-N 3.26Å; L56-Q58 PolarHBondContact O-N 3.2Å; Q58-I60 PolarHBondContact O-N 3.25Å; Q58-R61 PolarHBondContact O-N 2.77Å; Q58-Q62 WeakPolarHBondContact O-CB 3.44Å; Q58-Q62 PolarHBondContact O-N 3.14Å
59I97.9Very high94.6Very high0 Ų053.9 Ų53.90%028%0.279CS..Hα-helixtrans-58.3-48.8176.5-63.5169.9000110.3I42 V45 I46 L54 K55 L56 R61 Q62 V63 I81 L85 W108I42-I59 HydrophobicContact CG1-CG2 4.16Å; I42-I59 HydrophobicContact CG2-CG2 4.16Å; V45-I59 HydrophobicContact CG2-CG2 4.11Å; I46-I59 HydrophobicContact CD1-CD1 3.93Å; I46-I59 HydrophobicContact CG1-CD1 4.2Å; I46-I59 HydrophobicContact CG1-CG1 4.25Å; L54-I59 HydrophobicContact CB-CD1 4.31Å; L54-I59 HydrophobicContact CB-CG1 3.66Å; L54-I59 HydrophobicContact CD1-CG1 4.19Å; K55-I59 PolarHBondContact O-N 3.29Å; L56-I59 PolarHBondContact O-N 3.26Å; I59-R61 PolarHBondContact O-N 2.82Å; I59-Q62 PolarHBondContact O-N 3.02Å; I59-V63 HydrophobicContact CG2-CG2 4.37Å; I59-V63 VanDerWaalsContact O-CG2 3.32Å; I59-V63 WeakPolarHBondContact O-CG2 3.47Å; I59-V63 PolarHBondContact O-N 3.15Å; I59-I81 HydrophobicContact CG2-CG2 4Å; I59-L85 HydrophobicContact CD1-CD1 4.06Å; I59-L85 HydrophobicContact CD1-CD2 4.08Å; I59-W108 HydrophobicContact CD1-CB 3.94Å; I59-W108 HydrophobicContact CD1-CG 4.34Å
60I96.8Very high94.4Very high21 Ų2153.6 Ų53.611%0.10828%0.276CS..Hα-helixtrans-54.4-52176.9-71170.4000110.6L56 Q58 Q62 V63 Q64 W77 K78 I81L56-I60 HydrophobicContact CD1-CD1 4.12Å; L56-I60 HydrophobicContact CD1-CG1 4.38Å; L56-I60 HydrophobicContact CG-CD1 4.08Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 2.93Å; Q58-I60 PolarHBondContact O-N 3.25Å; I60-Q62 PolarHBondContact O-N 3.47Å; I60-V63 PolarHBondContact O-N 3.41Å; I60-Q64 WeakPolarHBondContact O-CG 3.1Å; I60-Q64 PolarHBondContact O-N 3.27Å; I60-Q64 VanDerWaalsContact O-N 3.16Å; I60-W77 HydrophobicContact CB-CH2 4.28Å; I60-W77 HydrophobicContact CG2-CH2 3.54Å; I60-W77 HydrophobicContact CG2-CZ2 4.27Å; I60-W77 HydrophobicContact CG2-CZ3 4.23Å; I60-K78 HydrophobicContact CD1-CB 4.27Å; I60-K78 HydrophobicContact CD1-CD 4.32Å; I60-K78 HydrophobicContact CD1-CG 4.28Å; I60-K78 HydrophobicContact CG2-CD 4.12Å; I60-K78 HydrophobicContact CG2-CG 4.15Å; I60-I81 HydrophobicContact CG1-CG2 4.49Å
61R96.3Very high94.2Very high155 Ų15554.2 Ų54.259%0.58526%0.261SS*.Hα-helixtrans-62.3-41.5179.9-73.5-175.4-67.6171.41.6112.6A57 Q58 I59 Q64 A65A57-R61 WeakPolarHBondContact O-CG 3.33Å; A57-R61 PolarHBondContact O-N 2.97Å; A57-R61 PolarHBondContact O-NE 3Å; Q58-R61 PolarHBondContact O-N 2.77Å; I59-R61 PolarHBondContact O-N 2.82Å; R61-Q64 PolarHBondContact O-N 3.45Å; R61-A65 PolarHBondContact O-N 3.46Å
62Q95.3Very high93.7Very high63 Ų6353.2 Ų53.229%0.29425%0.249SC..Hα-helixtrans-70.6-37.5-177.6-160.563.223.400111.8V45 Q58 I59 I60 Q64 A65 V66V45-Q62 HydrophobicContact CB-CB 3.92Å; V45-Q62 HydrophobicContact CB-CG 3.67Å; V45-Q62 HydrophobicContact CG1-CB 4Å; V45-Q62 HydrophobicContact CG1-CG 3.69Å; V45-Q62 HydrophobicContact CG2-CB 4.48Å; Q58-Q62 WeakPolarHBondContact O-CB 3.44Å; Q58-Q62 PolarHBondContact O-N 3.14Å; I59-Q62 PolarHBondContact O-N 3.02Å; I60-Q62 PolarHBondContact O-N 3.47Å; Q62-Q64 VanDerWaalsContact C-N 3.32Å; Q62-Q64 PolarHBondContact O-N 2.95Å; Q62-A65 WeakPolarHBondContact O-CB 3.34Å; Q62-A65 PolarHBondContact O-N 3.47Å; Q62-V66 HydrophobicContact CG-CG2 4.45Å; Q62-V66 WeakPolarHBondContact O-CB 3.38Å; Q62-V66 VanDerWaalsContact O-CG2 3.29Å; Q62-V66 WeakPolarHBondContact O-CG2 3.43Å; Q62-V66 PolarHBondContact O-N 2.93Å
63V95.3Very high93.1Very high0 Ų055.1 Ų55.10%027%0.267CS..Hα-helixtrans-60.6-43.1172.8169.80000110.5V45 I59 I60 A65 V66 F67 F70 W77 I81V45-V63 HydrophobicContact CG1-CG2 4.15Å; V45-V63 HydrophobicContact CG2-CG2 4.1Å; I59-V63 HydrophobicContact CG2-CG2 4.37Å; I59-V63 VanDerWaalsContact O-CG2 3.32Å; I59-V63 WeakPolarHBondContact O-CG2 3.47Å; I59-V63 PolarHBondContact O-N 3.15Å; I60-V63 PolarHBondContact O-N 3.41Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.97Å; V63-V66 PolarHBondContact O-N 3.39Å; V63-F67 HydrophobicContact CG1-CD2 4.23Å; V63-F67 WeakPolarHBondContact O-CB 3.5Å; V63-F67 PolarHBondContact O-N 3.02Å; V63-F70 HydrophobicContact CG1-CD2 3.53Å; V63-F70 HydrophobicContact CG1-CE2 3.8Å; V63-F70 HydrophobicContact CG1-CG 4.13Å; V63-W77 HydrophobicContact CG1-CZ3 4.23Å; V63-I81 HydrophobicContact CG2-CD1 4.49Å
64Q94Very high92.7Very high46 Ų4658.2 Ų58.222%0.21528%0.28CS..Hα-helixtrans-64.8-35.4174.7-65.7178.5-59.500113.1I60 R61 Q62 F70 R71 W77I60-Q64 WeakPolarHBondContact O-CG 3.1Å; I60-Q64 PolarHBondContact O-N 3.27Å; I60-Q64 VanDerWaalsContact O-N 3.16Å; R61-Q64 PolarHBondContact O-N 3.45Å; Q62-Q64 VanDerWaalsContact C-N 3.32Å; Q62-Q64 PolarHBondContact O-N 2.95Å; Q64-F70 HydrophobicContact CG-CB 3.94Å; Q64-F70 WeakPolarHBondContact CG-O 3.36Å; Q64-F70 PolarHBondContact NE2-O 2.99Å; Q64-R71 HydrophobicContact CB-CG 4.27Å; Q64-R71 WeakPolarHBondContact O-CG 3.37Å; Q64-R71 PolarHBondContact O-NE 3.35Å; Q64-W77 HydrophobicContact CG-CH2 3.54Å; Q64-W77 HydrophobicContact CG-CZ2 3.61Å
65A91.9Very high92.4Very high44 Ų4463 Ų6336%0.36430%0.302SS..Hα-helixtrans-66.6-46.7177.900000111.2R61 Q62 V63 R71R61-A65 PolarHBondContact O-N 3.46Å; Q62-A65 WeakPolarHBondContact O-CB 3.34Å; Q62-A65 PolarHBondContact O-N 3.47Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.97Å; A65-R71 PolarHBondContact O-NH2 2.84Å
66V91.3Very high92.2Very high11 Ų1160.7 Ų60.77%0.06730%0.3CS..Hα-helixtrans-75.2-35.8-177.2175.70000112.1L44 V45 Q62 V63 Y154 P156L44-V66 HydrophobicContact CD2-CG1 4.49Å; V45-V66 HydrophobicContact CG1-CG2 4.18Å; Q62-V66 HydrophobicContact CG-CG2 4.45Å; Q62-V66 WeakPolarHBondContact O-CB 3.38Å; Q62-V66 VanDerWaalsContact O-CG2 3.29Å; Q62-V66 WeakPolarHBondContact O-CG2 3.43Å; Q62-V66 PolarHBondContact O-N 2.93Å; V63-V66 PolarHBondContact O-N 3.39Å; V66-Y154 HydrophobicContact CG1-CD1 4.3Å; V66-Y154 HydrophobicContact CG1-CE1 4.02Å; V66-P156 HydrophobicContact CG1-CG 3.88Å
67F91Very high92.1Very high1 Ų158.6 Ų58.60%0.00429%0.288CS..  trans-124.498.7-173.5-59-70.6000111P34 Y36 M41 L44 V63 F69 F70 F140P34-F67 HydrophobicContact CB-CD1 3.75Å; P34-F67 HydrophobicContact CB-CE1 4.13Å; P34-F67 HydrophobicContact CB-CG 4.37Å; P34-F67 HydrophobicContact CG-CB 3.7Å; P34-F67 HydrophobicContact CG-CD1 3.53Å; P34-F67 HydrophobicContact CG-CE1 4.4Å; P34-F67 HydrophobicContact CG-CG 3.8Å; Y36-F67 AromaticContact CD2-CE1 3.79Å; Y36-F67 HydrophobicContact CD2-CE1 3.79Å; Y36-F67 HydrophobicContact CD2-CZ 4.06Å; Y36-F67 AromaticContact CE2-CE1 3.92Å; Y36-F67 HydrophobicContact CE2-CE1 3.92Å; Y36-F67 HydrophobicContact CE2-CZ 4.36Å; M41-F67 HydrophobicContact CB-CD2 4.45Å; M41-F67 HydrophobicContact CB-CE2 3.79Å; M41-F67 HydrophobicContact CB-CZ 4.41Å; M41-F67 HydrophobicContact CG-CD2 4.16Å; M41-F67 HydrophobicContact CG-CE2 3.52Å; M41-F67 HydrophobicContact CG-CZ 3.76Å; M41-F67 HydrophobicContact SD-CD2 3.88Å; M41-F67 HydrophobicContact SD-CE2 3.85Å; M41-F67 HydrophobicContact SD-CG 4.27Å; M41-F67 HydrophobicContact SD-CZ 4.22Å; L44-F67 HydrophobicContact CD2-CZ 4.06Å; V63-F67 HydrophobicContact CG1-CD2 4.23Å; V63-F67 WeakPolarHBondContact O-CB 3.5Å; V63-F67 PolarHBondContact O-N 3.02Å; F67-F69 PolarHBondContact O-N 3.41Å; F67-F70 HydrophobicContact CB-CD2 3.68Å; F67-F70 HydrophobicContact CB-CE2 3.87Å; F67-F70 HydrophobicContact CG-CE2 4.4Å; F67-F70 PolarHBondContact O-N 3.45Å; F67-F70 VanDerWaalsContact O-N 3.14Å; F67-F140 HydrophobicContact CD1-CE1 4.12Å; F67-F140 HydrophobicContact CE1-CE1 4.14Å
68P88.6Confident92.1Very high40 Ų4057.4 Ų57.426%0.2627%0.272SS..G310 helixtrans-57-24.2-174.6-29.636.8000115.8H31 F70 R71H31-P68 HydrophobicContact CB-CB 4.36Å; P68-F70 PolarHBondContact O-N 3.29Å; P68-F70 VanDerWaalsContact O-N 3.16Å; P68-R71 WeakPolarHBondContact O-CB 3.36Å; P68-R71 PolarHBondContact O-N 3.18Å; P68-R71 VanDerWaalsContact O-N 3.08Å
69F87.4Confident92Very high54 Ų5458.6 Ų58.624%0.23728%0.28CS..G310 helixtrans-50.4-35.8173.6174-111.6000114H31 K33 P34 F67 R71H31-F69 HydrophobicContact CB-CB 4.25Å; H31-F69 WeakPolarHBondContact O-CD2 3.49Å; K33-F69 HydrophobicContact CB-CD1 4.11Å; K33-F69 HydrophobicContact CB-CD2 4.29Å; K33-F69 HydrophobicContact CB-CE1 3.83Å; K33-F69 HydrophobicContact CB-CE2 3.97Å; K33-F69 HydrophobicContact CB-CG 4.32Å; K33-F69 HydrophobicContact CB-CZ 3.73Å; K33-F69 HydrophobicContact CD-CE1 4.18Å; K33-F69 HydrophobicContact CD-CZ 4.35Å; K33-F69 HydrophobicContact CG-CD1 4.02Å; K33-F69 HydrophobicContact CG-CE1 3.65Å; K33-F69 HydrophobicContact CG-CZ 4Å; P34-F69 HydrophobicContact CG-CB 4.34Å; F67-F69 PolarHBondContact O-N 3.41Å; F69-R71 VanDerWaalsContact C-N 3.31Å; F69-R71 PolarHBondContact O-N 2.94Å
70F90.3Very high92Very high2 Ų260.4 Ų60.41%0.00929%0.293CS..G310 helixtrans-87.23.1-175.9-58.4-72.1000114P34 Y38 M41 V63 Q64 F67 P68 E72 W77P34-F70 HydrophobicContact CG-CE2 4.04Å; Y38-F70 HydrophobicContact CE1-CE1 4.03Å; Y38-F70 HydrophobicContact CE1-CZ 4.11Å; M41-F70 HydrophobicContact CE-CE2 4.13Å; M41-F70 HydrophobicContact CE-CZ 3.82Å; M41-F70 HydrophobicContact SD-CE2 3.7Å; M41-F70 HydrophobicContact SD-CZ 4.01Å; V63-F70 HydrophobicContact CG1-CD2 3.53Å; V63-F70 HydrophobicContact CG1-CE2 3.8Å; V63-F70 HydrophobicContact CG1-CG 4.13Å; Q64-F70 HydrophobicContact CG-CB 3.94Å; Q64-F70 WeakPolarHBondContact CG-O 3.36Å; Q64-F70 PolarHBondContact NE2-O 2.99Å; F67-F70 HydrophobicContact CB-CD2 3.68Å; F67-F70 HydrophobicContact CB-CE2 3.87Å; F67-F70 HydrophobicContact CG-CE2 4.4Å; F67-F70 PolarHBondContact O-N 3.45Å; F67-F70 VanDerWaalsContact O-N 3.14Å; P68-F70 PolarHBondContact O-N 3.29Å; P68-F70 VanDerWaalsContact O-N 3.16Å; F70-E72 VanDerWaalsContact C-N 3.26Å; F70-W77 HydrophobicContact CB-CD2 4.2Å; F70-W77 HydrophobicContact CB-CH2 4.22Å; F70-W77 HydrophobicContact CB-CZ2 3.89Å; F70-W77 HydrophobicContact CD1-CB 3.97Å; F70-W77 AromaticContact CD1-CD1 3.93Å; F70-W77 AromaticContact CD1-CD2 3.55Å; F70-W77 HydrophobicContact CD1-CD2 3.55Å; F70-W77 AromaticContact CD1-CE3 3.93Å; F70-W77 HydrophobicContact CD1-CE3 3.93Å; F70-W77 AromaticContact CD1-CG 3.54Å; F70-W77 HydrophobicContact CD1-CG 3.54Å; F70-W77 HydrophobicContact CE1-CB 3.99Å; F70-W77 HydrophobicContact CE1-CD2 4.28Å; F70-W77 HydrophobicContact CE1-CE3 4.44Å; F70-W77 HydrophobicContact CE1-CG 4.08Å; F70-W77 HydrophobicContact CG-CD2 4.17Å; F70-W77 HydrophobicContact CG-CE3 4.35Å
71R89.1Confident92Very high151 Ų15159.4 Ų59.457%0.5729%0.288SS*.G310 helixtrans-80-10177.4-62.8-179.9-176.7-179.9-0.7113.2Q64 A65 P68 F69Q64-R71 HydrophobicContact CB-CG 4.27Å; Q64-R71 WeakPolarHBondContact O-CG 3.37Å; Q64-R71 PolarHBondContact O-NE 3.35Å; A65-R71 PolarHBondContact O-NH2 2.84Å; P68-R71 WeakPolarHBondContact O-CB 3.36Å; P68-R71 PolarHBondContact O-N 3.18Å; P68-R71 VanDerWaalsContact O-N 3.08Å; F69-R71 VanDerWaalsContact C-N 3.31Å; F69-R71 PolarHBondContact O-N 2.94Å
72E83.5Confident92.1Very high44 Ų4457.4 Ų57.421%0.20628%0.281CS..SBendtrans-71.6162.3-179-61.2-179.7179.800112.2R30 H31 F70 Y74R30-E72 WeakPolarHBondContact CA-OE1 3.35Å; R30-E72 WeakPolarHBondContact CD-OE1 3.26Å; R30-E72 WeakPolarHBondContact CD-OE2 3.18Å; R30-E72 IonicContact CZ-OE2 3.6Å; R30-E72 IonicContact NE-OE2 3.79Å; R30-E72 IonicContact NH1-OE1 3.79Å; R30-E72 IonicContact NH1-OE2 2.66Å; R30-E72 PolarHBondContact NH1-OE2 3.45Å; H31-E72 PolarHBondContact N-OE1 3.04Å; F70-E72 VanDerWaalsContact C-N 3.26Å; E72-Y74 PolarHBondContact O-N 3.02Å
73D84.4Confident92.2Very high148 Ų14859.5 Ų59.579%0.79129%0.29SS*.SBendtrans-61.9-16.5-174.9-50.6-47.5000114.3E75D73-E75 PolarHBondContact O-N 3.19Å
74Y88.2Confident92.3Very high166 Ų16660.7 Ų60.765%0.65130%0.297SS*.  trans-75117.6179177.5-109.4000111.2E72 W77E72-Y74 PolarHBondContact O-N 3.02Å; Y74-W77 PolarHBondContact O-NE1 2.78Å
75E91.6Very high92.5Very high120 Ų12058.6 Ų58.656%0.56129%0.287SS*.  trans-101.3-2.3-176.6-55.1-149.4142.400115.2D73 W77 K78D73-E75 PolarHBondContact O-N 3.19Å; E75-W77 PolarHBondContact O-N 3.44Å; E75-W77 VanDerWaalsContact O-N 3.1Å; E75-K78 HydrophobicContact CB-CD 4.13Å; E75-K78 VanDerWaalsContact O-CB 3.3Å; E75-K78 WeakPolarHBondContact O-CB 3.4Å; E75-K78 WeakPolarHBondContact O-CG 3.28Å; E75-K78 PolarHBondContact O-N 2.91Å; E75-K78 IonicContact OE1-NZ 2.6Å; E75-K78 PolarHBondContact OE1-NZ 2.87Å; E75-K78 IonicContact OE2-NZ 2.78Å; E75-K78 PolarHBondContact OE2-NZ 3.1Å
76G92.9Very high92.7Very high29 Ų2960.7 Ų60.730%0.29930%0.299SS..THydrogen-bonded Turntrans-60.7-25.8-173.600000114.3K78 D79G76-K78 PolarHBondContact O-N 3.19Å; G76-D79 WeakPolarHBondContact O-CB 3.34Å; G76-D79 PolarHBondContact O-N 3.29Å; G76-D79 VanDerWaalsContact O-N 3.13Å
77W94.4Very high93Very high10 Ų1063.3 Ų63.34%0.03832%0.317CS..Hα-helixtrans-63.3-24.5174.165.1-92.9000113.5Y38 I60 V63 Q64 F70 Y74 E75 D79 S80 I81Y38-W77 HydrophobicContact CE1-CB 4.41Å; I60-W77 HydrophobicContact CB-CH2 4.28Å; I60-W77 HydrophobicContact CG2-CH2 3.54Å; I60-W77 HydrophobicContact CG2-CZ2 4.27Å; I60-W77 HydrophobicContact CG2-CZ3 4.23Å; V63-W77 HydrophobicContact CG1-CZ3 4.23Å; Q64-W77 HydrophobicContact CG-CH2 3.54Å; Q64-W77 HydrophobicContact CG-CZ2 3.61Å; F70-W77 HydrophobicContact CB-CD2 4.2Å; F70-W77 HydrophobicContact CB-CH2 4.22Å; F70-W77 HydrophobicContact CB-CZ2 3.89Å; F70-W77 HydrophobicContact CD1-CB 3.97Å; F70-W77 AromaticContact CD1-CD1 3.93Å; F70-W77 AromaticContact CD1-CD2 3.55Å; F70-W77 HydrophobicContact CD1-CD2 3.55Å; F70-W77 AromaticContact CD1-CE3 3.93Å; F70-W77 HydrophobicContact CD1-CE3 3.93Å; F70-W77 AromaticContact CD1-CG 3.54Å; F70-W77 HydrophobicContact CD1-CG 3.54Å; F70-W77 HydrophobicContact CE1-CB 3.99Å; F70-W77 HydrophobicContact CE1-CD2 4.28Å; F70-W77 HydrophobicContact CE1-CE3 4.44Å; F70-W77 HydrophobicContact CE1-CG 4.08Å; F70-W77 HydrophobicContact CG-CD2 4.17Å; F70-W77 HydrophobicContact CG-CE3 4.35Å; Y74-W77 PolarHBondContact O-NE1 2.78Å; E75-W77 PolarHBondContact O-N 3.44Å; E75-W77 VanDerWaalsContact O-N 3.1Å; W77-D79 PolarHBondContact O-N 3.31Å; W77-S80 WeakPolarHBondContact O-CB 3.38Å; W77-S80 PolarHBondContact O-N 2.87Å; W77-S80 VanDerWaalsContact O-N 3.12Å; W77-I81 HydrophobicContact CE3-CG1 3.79Å; W77-I81 HydrophobicContact CZ3-CG1 3.89Å; W77-I81 PolarHBondContact O-N 3.48Å
78K96.1Very high93.3Very high36 Ų3665.5 Ų65.516%0.15733%0.329CS..Hα-helixtrans-62.8-29.6176.1-62.5-178.9-173.2175.80111.3I60 E75 G76 I81 R82I60-K78 HydrophobicContact CD1-CB 4.27Å; I60-K78 HydrophobicContact CD1-CD 4.32Å; I60-K78 HydrophobicContact CD1-CG 4.28Å; I60-K78 HydrophobicContact CG2-CD 4.12Å; I60-K78 HydrophobicContact CG2-CG 4.15Å; E75-K78 HydrophobicContact CB-CD 4.13Å; E75-K78 VanDerWaalsContact O-CB 3.3Å; E75-K78 WeakPolarHBondContact O-CB 3.4Å; E75-K78 WeakPolarHBondContact O-CG 3.28Å; E75-K78 PolarHBondContact O-N 2.91Å; E75-K78 IonicContact OE1-NZ 2.6Å; E75-K78 PolarHBondContact OE1-NZ 2.87Å; E75-K78 IonicContact OE2-NZ 2.78Å; E75-K78 PolarHBondContact OE2-NZ 3.1Å; G76-K78 PolarHBondContact O-N 3.19Å; K78-I81 PolarHBondContact O-N 3.17Å; K78-R82 PolarHBondContact O-N 3.03Å
79D96.4Very high93.6Very high89 Ų8974.5 Ų74.548%0.47636%0.358SS..Hα-helixtrans-71.2-40.9174.4-162.854.5000111.9G76 W77 I81 R82 H83G76-D79 WeakPolarHBondContact O-CB 3.34Å; G76-D79 PolarHBondContact O-N 3.29Å; G76-D79 VanDerWaalsContact O-N 3.13Å; W77-D79 PolarHBondContact O-N 3.31Å; D79-I81 PolarHBondContact O-N 3.02Å; D79-R82 VanDerWaalsContact CB-NH2 3.29Å; D79-R82 WeakPolarHBondContact O-CB 3.39Å; D79-R82 PolarHBondContact O-N 2.85Å; D79-R82 IonicContact OD1-CZ 3.29Å; D79-R82 VanDerWaalsContact OD1-CZ 3.29Å; D79-R82 IonicContact OD1-NE 3.15Å; D79-R82 PolarHBondContact OD1-NE 2.87Å; D79-R82 VanDerWaalsContact OD1-NE 3.15Å; D79-R82 IonicContact OD1-NH2 2.7Å; D79-R82 PolarHBondContact OD1-NH2 3.26Å; D79-H83 WeakPolarHBondContact O-CB 3.44Å; D79-H83 PolarHBondContact O-N 3.15Å
80S97.2Very high94.1Very high39 Ų3972 Ų7227%0.27335%0.348SS..Hα-helixtrans-58.2-37.1171.5-50.20000111.9W77 N84W77-S80 WeakPolarHBondContact O-CB 3.38Å; W77-S80 PolarHBondContact O-N 2.87Å; W77-S80 VanDerWaalsContact O-N 3.12Å; S80-N84 WeakPolarHBondContact O-CB 3.46Å; S80-N84 PolarHBondContact O-N 3.34Å; S80-N84 PolarHBondContact O-ND2 3.34Å
81I97.4Very high94.5Very high0 Ų072.5 Ų72.50%035%0.35CS..Hα-helixtrans-62.5-47.5173.2-62.4-65.9000111.3Y38 I42 L56 I59 I60 V63 W77 K78 D79 N84 L85Y38-I81 HydrophobicContact CD1-CD1 3.75Å; Y38-I81 HydrophobicContact CE1-CD1 4.4Å; I42-I81 HydrophobicContact CD1-CD1 3.78Å; I42-I81 HydrophobicContact CD1-CG2 4.11Å; I42-I81 HydrophobicContact CG1-CD1 3.71Å; I42-I81 HydrophobicContact CG1-CG2 4.4Å; L56-I81 HydrophobicContact CD1-CG2 4.03Å; I59-I81 HydrophobicContact CG2-CG2 4Å; I60-I81 HydrophobicContact CG1-CG2 4.49Å; V63-I81 HydrophobicContact CG2-CD1 4.49Å; W77-I81 HydrophobicContact CE3-CG1 3.79Å; W77-I81 HydrophobicContact CZ3-CG1 3.89Å; W77-I81 PolarHBondContact O-N 3.48Å; K78-I81 PolarHBondContact O-N 3.17Å; D79-I81 PolarHBondContact O-N 3.02Å; I81-N84 PolarHBondContact O-N 3.23Å; I81-L85 HydrophobicContact CG2-CD1 4.09Å; I81-L85 WeakPolarHBondContact O-CG 3.27Å; I81-L85 PolarHBondContact O-N 3.21Å; I81-L85 VanDerWaalsContact O-N 3.1Å
82R97.4Very high94.8Very high112 Ų11271.9 Ų71.942%0.42335%0.347SS..Hα-helixtrans-60.3-49.2178.7-71-175.3-64.6-97.511.1111.7L56 K78 D79 N84 L85 S86L56-R82 HydrophobicContact CD1-CG 3.98Å; L56-R82 HydrophobicContact CD2-CG 3.78Å; K78-R82 PolarHBondContact O-N 3.03Å; D79-R82 VanDerWaalsContact CB-NH2 3.29Å; D79-R82 WeakPolarHBondContact O-CB 3.39Å; D79-R82 PolarHBondContact O-N 2.85Å; D79-R82 IonicContact OD1-CZ 3.29Å; D79-R82 VanDerWaalsContact OD1-CZ 3.29Å; D79-R82 IonicContact OD1-NE 3.15Å; D79-R82 PolarHBondContact OD1-NE 2.87Å; D79-R82 VanDerWaalsContact OD1-NE 3.15Å; D79-R82 IonicContact OD1-NH2 2.7Å; D79-R82 PolarHBondContact OD1-NH2 3.26Å; R82-N84 PolarHBondContact O-N 3.27Å; R82-L85 PolarHBondContact O-N 3.34Å; R82-S86 PolarHBondContact O-N 3.49Å; R82-S86 PolarHBondContact O-OG 3.16Å
83H97.6Very high95.4Very high108 Ų10874.4 Ų74.450%0.536%0.358SS..Hα-helixtrans-56.3-48.3176.7169.472.5000111.5D79 L85 S86 S87D79-H83 WeakPolarHBondContact O-CB 3.44Å; D79-H83 PolarHBondContact O-N 3.15Å; H83-L85 VanDerWaalsContact C-N 3.32Å; H83-L85 PolarHBondContact O-N 3.19Å; H83-S86 PolarHBondContact O-N 2.9Å; H83-S86 VanDerWaalsContact O-N 3.15Å; H83-S86 PolarHBondContact O-OG 3.15Å; H83-S87 PolarHBondContact CE1-OG 2.94Å; H83-S87 PolarHBondContact ND1-OG 3.41Å; H83-S87 VanDerWaalsContact O-CB 3.27Å; H83-S87 WeakPolarHBondContact O-CB 3.13Å; H83-S87 PolarHBondContact O-N 2.88Å; H83-S87 PolarHBondContact O-OG 3.07Å
84N97.9Very high96Very high25 Ų2568.4 Ų68.413%0.13433%0.326CS..Hα-helixtrans-62.3-37.9-179.1-87.7-95.4000113I42 S80 I81 R82 S86 N88 F91I42-N84 HydrophobicContact CD1-CB 3.83Å; S80-N84 WeakPolarHBondContact O-CB 3.46Å; S80-N84 PolarHBondContact O-N 3.34Å; S80-N84 PolarHBondContact O-ND2 3.34Å; I81-N84 PolarHBondContact O-N 3.23Å; R82-N84 PolarHBondContact O-N 3.27Å; N84-S86 VanDerWaalsContact C-N 3.31Å; N84-S86 PolarHBondContact O-N 3.48Å; N84-N88 PolarHBondContact O-N 3.25Å; N84-N88 PolarHBondContact O-ND2 2.98Å; N84-N88 PolarHBondContact OD1-ND2 3.28Å; N84-F91 WeakPolarHBondContact O-CD2 3.49Å
85L97.7Very high96.3Very high2 Ų263 Ų631%0.0131%0.312CS..Hα-helixtrans-64.3-35.5177.3-72.4168.3000112.3I42 L56 I59 I81 R82 H83 F91 W108I42-L85 HydrophobicContact CD1-CG 4.43Å; I42-L85 HydrophobicContact CG2-CD2 3.77Å; L56-L85 HydrophobicContact CD1-CD1 3.65Å; I59-L85 HydrophobicContact CD1-CD1 4.06Å; I59-L85 HydrophobicContact CD1-CD2 4.08Å; I81-L85 HydrophobicContact CG2-CD1 4.09Å; I81-L85 WeakPolarHBondContact O-CG 3.27Å; I81-L85 PolarHBondContact O-N 3.21Å; I81-L85 VanDerWaalsContact O-N 3.1Å; R82-L85 PolarHBondContact O-N 3.34Å; H83-L85 VanDerWaalsContact C-N 3.32Å; H83-L85 PolarHBondContact O-N 3.19Å; L85-F91 HydrophobicContact CD2-CB 4.11Å; L85-F91 HydrophobicContact CD2-CD1 4.18Å; L85-F91 HydrophobicContact CD2-CD2 4.17Å; L85-F91 HydrophobicContact CD2-CG 3.88Å; L85-W108 HydrophobicContact CB-CD2 4.14Å; L85-W108 HydrophobicContact CB-CE3 4.13Å; L85-W108 HydrophobicContact CB-CH2 3.98Å; L85-W108 HydrophobicContact CB-CZ2 4.01Å; L85-W108 HydrophobicContact CB-CZ3 4.05Å; L85-W108 HydrophobicContact CD1-CD2 4.28Å; L85-W108 HydrophobicContact CD1-CG 4.25Å; L85-W108 HydrophobicContact CD2-CB 4.18Å; L85-W108 HydrophobicContact CD2-CD2 3.95Å; L85-W108 HydrophobicContact CD2-CE3 4.07Å; L85-W108 HydrophobicContact CD2-CG 4.01Å; L85-W108 HydrophobicContact CG-CD2 4.36Å; L85-W108 WeakPolarHBondContact O-CH2 3.35Å; L85-W108 WeakPolarHBondContact O-CZ3 3.46Å
86S96.9Very high96.3Very high88 Ų8864.2 Ų64.262%0.61532%0.315SS*.Hα-helixtrans-83.8-31.3177.249.20000114R82 H83 N84R82-S86 PolarHBondContact O-N 3.49Å; R82-S86 PolarHBondContact O-OG 3.16Å; H83-S86 PolarHBondContact O-N 2.9Å; H83-S86 VanDerWaalsContact O-N 3.15Å; H83-S86 PolarHBondContact O-OG 3.15Å; N84-S86 VanDerWaalsContact C-N 3.31Å; N84-S86 PolarHBondContact O-N 3.48Å
87S96.4Very high96.1Very high65 Ų6566.1 Ų66.146%0.45532%0.318SS..Hα-helixtrans-86.7-30.9-170.8-65.60000113.5H83H83-S87 PolarHBondContact CE1-OG 2.94Å; H83-S87 PolarHBondContact ND1-OG 3.41Å; H83-S87 VanDerWaalsContact O-CB 3.27Å; H83-S87 WeakPolarHBondContact O-CB 3.13Å; H83-S87 PolarHBondContact O-N 2.88Å; H83-S87 PolarHBondContact O-OG 3.07Å
88N97.1Very high95.8Very high47 Ų4771.3 Ų71.325%0.25135%0.353SS..  trans-95126.7-177.6-60.6-76000111.1L39 N84 C90 F91L39-N88 HydrophobicContact CD1-CB 4.14Å; N84-N88 PolarHBondContact O-N 3.25Å; N84-N88 PolarHBondContact O-ND2 2.98Å; N84-N88 PolarHBondContact OD1-ND2 3.28Å; N88-C90 PolarHBondContact O-N 3.27Å; N88-C90 VanDerWaalsContact O-N 3.17Å; N88-F91 HydrophobicContact CB-CD2 3.94Å; N88-F91 HydrophobicContact CB-CE2 4.21Å; N88-F91 PolarHBondContact O-N 3.46Å; N88-F91 VanDerWaalsContact O-N 3.08Å
89R96.6Very high95.6Very high229 Ų22973.4 Ų73.486%0.86438%0.378SS*.THydrogen-bonded Turntrans-62.5-22.5-179.5-65.6-172.5179.7-177.70.6114.1F91R89-F91 PolarHBondContact O-N 2.86Å
90C97.3Very high95.2Very high3 Ų375.7 Ų75.72%0.0238%0.383CS..THydrogen-bonded Turntrans-66.4-18175.964.60000113N88 V110 D111 L114 I115N88-C90 PolarHBondContact O-N 3.27Å; N88-C90 VanDerWaalsContact O-N 3.17Å; C90-V110 CarbonylContact O-C 3.52Å; C90-V110 WeakPolarHBondContact O-CA 3.4Å; C90-D111 PolarHBondContact O-N 3.36Å; C90-L114 HydrophobicContact CB-CB 4Å; C90-I115 HydrophobicContact CB-CG1 4.02Å
91F97.8Very high94.6Very high11 Ų1177 Ų775%0.04839%0.391CS..EExtended strand (participates in β ladder)trans-99.9122.6175.3-59.6-56.3000110.4L39 I42 A43 I46 N84 L85 N88 R89 W108 V110L39-F91 HydrophobicContact CB-CE2 4.46Å; L39-F91 HydrophobicContact CG-CE2 4.03Å; L39-F91 HydrophobicContact CG-CZ 4.1Å; I42-F91 HydrophobicContact CB-CE1 4.16Å; I42-F91 HydrophobicContact CB-CE2 4.42Å; I42-F91 HydrophobicContact CB-CZ 3.74Å; I42-F91 HydrophobicContact CD1-CE2 4.46Å; I42-F91 HydrophobicContact CG2-CD1 4.17Å; I42-F91 HydrophobicContact CG2-CE1 3.51Å; I42-F91 HydrophobicContact CG2-CE2 4.22Å; I42-F91 HydrophobicContact CG2-CZ 3.54Å; A43-F91 HydrophobicContact CB-CE1 4.39Å; A43-F91 HydrophobicContact CB-CZ 4.5Å; I46-F91 HydrophobicContact CD1-CD1 4.26Å; I46-F91 HydrophobicContact CD1-CE1 4.3Å; N84-F91 WeakPolarHBondContact O-CD2 3.49Å; L85-F91 HydrophobicContact CD2-CB 4.11Å; L85-F91 HydrophobicContact CD2-CD1 4.18Å; L85-F91 HydrophobicContact CD2-CD2 4.17Å; L85-F91 HydrophobicContact CD2-CG 3.88Å; N88-F91 HydrophobicContact CB-CD2 3.94Å; N88-F91 HydrophobicContact CB-CE2 4.21Å; N88-F91 PolarHBondContact O-N 3.46Å; N88-F91 VanDerWaalsContact O-N 3.08Å; R89-F91 PolarHBondContact O-N 2.86Å; F91-W108 HydrophobicContact CB-CE3 4.09Å; F91-W108 HydrophobicContact CB-CZ3 4.27Å; F91-V110 HydrophobicContact CD1-CB 4.11Å; F91-V110 HydrophobicContact CD1-CG2 4.04Å; F91-V110 HydrophobicContact CE1-CB 4.1Å; F91-V110 HydrophobicContact CE1-CG2 3.8Å
92R96.6Very high94.2Very high139 Ų13984.9 Ų84.953%0.52543%0.428SS..EExtended strand (participates in β ladder)trans-115.4138.4177.966.4-175.7179.895.1-0.2110.8V94 W108 A109R92-V94 HydrophobicContact CG-CG2 4.37Å; R92-W108 WeakPolarHBondContact O-CA 3.37Å; R92-A109 HydrophobicContact CG-CB 4.09Å; R92-A109 PolarHBondContact N-O 3.17Å; R92-A109 PolarHBondContact O-N 3.06Å
93K96.4Very high93.5Very high96 Ų9681.5 Ų81.542%0.41742%0.424SS..EExtended strand (participates in β ladder)trans-78.4124.4173.4-162.9-175.7-171.8-157.10108.8N106 W108K93-N106 HydrophobicContact CD-CB 4.41Å; K93-N106 WeakPolarHBondContact CE-ND2 3.39Å; K93-N106 HydrophobicContact CG-CB 3.95Å; K93-N106 PolarHBondContact NZ-ND2 3.43Å; K93-N106 VanDerWaalsContact NZ-ND2 3.19Å; K93-W108 HydrophobicContact CB-CE3 4.45Å; K93-W108 HydrophobicContact CB-CH2 4.3Å; K93-W108 HydrophobicContact CB-CZ3 4.19Å
94V95.5Very high93Very high23 Ų2386.7 Ų86.714%0.13945%0.445CS..EExtended strand (participates in β ladder)trans-108.5114.2177.7-179.10000108.2R92 K96 F107 A109R92-V94 HydrophobicContact CG-CG2 4.37Å; V94-K96 PolarHBondContact O-N 2.82Å; V94-F107 HydrophobicContact CB-CB 4.14Å; V94-F107 PolarHBondContact N-O 3.17Å; V94-F107 PolarHBondContact O-N 2.84Å; V94-A109 HydrophobicContact CG2-CB 3.72Å
95P94.2Very high92.6Very high53 Ų5387.2 Ų87.234%0.34446%0.456SS..  trans-53.2136.8175.9-28.136.4000111.8P101 N106P95-P101 HydrophobicContact CG-CB 4.1Å; P95-N106 WeakPolarHBondContact CA-OD1 3.4Å
96K91.5Very high92.5Very high145 Ų14587.4 Ų87.463%0.6346%0.457SS*.SBendtrans-68.9-42.4167.8-179.7-170.5173.5-161.10110.2V94 N106 F107V94-K96 PolarHBondContact O-N 2.82Å; K96-N106 PolarHBondContact N-OD1 3.32Å; K96-F107 HydrophobicContact CB-CD2 4.42Å; K96-F107 HydrophobicContact CB-CE2 4.16Å; K96-F107 HydrophobicContact CG-CE2 4.1Å
97D89.8Confident92.5Very high68 Ų6884.9 Ų84.936%0.36444%0.435SS..SBendtrans-123.1119.7178.7178.7-7.6000107.3A99 K100D97-A99 PolarHBondContact O-N 3.36Å; D97-A99 WeakPolarHBondContact OD1-CB 3.5Å; D97-A99 PolarHBondContact OD1-N 2.87Å; D97-K100 HydrophobicContact CB-CB 4.44Å; D97-K100 CarbonylContact O-C 3.34Å; D97-K100 PolarHBondContact O-N 3.3Å
98P88.4Confident92.5Very high119 Ų11984 Ų8477%0.77342%0.422SS*.THydrogen-bonded Turntrans-61.4-26.1179.726.2-34.3000112.7K100P98-K100 VanDerWaalsContact C-N 3.28Å; P98-K100 PolarHBondContact O-N 3.06Å
99A90.9Very high92.6Very high81 Ų8182 Ų8267%0.66941%0.412SS*.THydrogen-bonded Turntrans-73.8-20176.400000112.8D97D97-A99 PolarHBondContact O-N 3.36Å; D97-A99 WeakPolarHBondContact OD1-CB 3.5Å; D97-A99 PolarHBondContact OD1-N 2.87Å
100K88.6Confident92.6Very high137 Ų13771.7 Ų71.760%0.59637%0.374SS*.  trans-130.866.6-176-63.9-179.9-176.7174.30111.3D97 P98 Q102 A103D97-K100 HydrophobicContact CB-CB 4.44Å; D97-K100 CarbonylContact O-C 3.34Å; D97-K100 PolarHBondContact O-N 3.3Å; P98-K100 VanDerWaalsContact C-N 3.28Å; P98-K100 PolarHBondContact O-N 3.06Å; K100-Q102 PolarHBondContact O-N 3.42Å; K100-Q102 VanDerWaalsContact O-N 3.13Å; K100-A103 HydrophobicContact CB-CB 4.22Å; K100-A103 WeakPolarHBondContact O-CB 3.46Å; K100-A103 PolarHBondContact O-N 3.2Å; K100-A103 VanDerWaalsContact O-N 3.12Å
101P84.9Confident92.6Very high67 Ų6774.3 Ų74.344%0.43539%0.388SS..THydrogen-bonded Turntrans-62.3-26-174.325-34.6000113.7P95 N106P95-P101 HydrophobicContact CG-CB 4.1Å; P101-N106 PolarHBondContact O-ND2 2.97Å
102Q88.2Confident92.4Very high165 Ų16575.8 Ų75.877%0.77140%0.398SS*.THydrogen-bonded Turntrans-88.2-0.9-178.6-129.867.8-3500114.5K100K100-Q102 PolarHBondContact O-N 3.42Å; K100-Q102 VanDerWaalsContact O-N 3.13Å
103A83.2Confident92.3Very high41 Ų4173.9 Ų73.934%0.33941%0.406SS..  trans-60.3149.8-176.700000113.4K100 N106K100-A103 HydrophobicContact CB-CB 4.22Å; K100-A103 WeakPolarHBondContact O-CB 3.46Å; K100-A103 PolarHBondContact O-N 3.2Å; K100-A103 VanDerWaalsContact O-N 3.12Å; A103-N106 VanDerWaalsContact O-CG 3.28Å; A103-N106 PolarHBondContact O-ND2 3.02Å
104K87.5Confident92.3Very high216 Ų21673.8 Ų73.894%0.93941%0.41SS*.THydrogen-bonded Turntrans-65.5141.2171.9-173.9176.6-179.3178.40109.9
105G88.7Confident92.3Very high36 Ų3673.4 Ų73.437%0.37141%0.407SS..THydrogen-bonded Turntrans85.622175.100000115
106N95.1Very high92.3Very high7 Ų773.7 Ų73.74%0.03741%0.408CS..  trans-56.4156.2164.9-70.7-37.4000111.6K93 P95 K96 P101 A103K93-N106 HydrophobicContact CD-CB 4.41Å; K93-N106 WeakPolarHBondContact CE-ND2 3.39Å; K93-N106 HydrophobicContact CG-CB 3.95Å; K93-N106 PolarHBondContact NZ-ND2 3.43Å; K93-N106 VanDerWaalsContact NZ-ND2 3.19Å; P95-N106 WeakPolarHBondContact CA-OD1 3.4Å; K96-N106 PolarHBondContact N-OD1 3.32Å; P101-N106 PolarHBondContact O-ND2 2.97Å; A103-N106 VanDerWaalsContact O-CG 3.28Å; A103-N106 PolarHBondContact O-ND2 3.02Å
107F97.1Very high92.1Very high34 Ų3469.3 Ų69.315%0.14940%0.4CS..EExtended strand (participates in β ladder)trans-85.1157.9176.5-63.1-84.6000110.4R53 K55 V94 K96R53-F107 HydrophobicContact CB-CB 4.14Å; R53-F107 HydrophobicContact CG-CB 4.22Å; R53-F107 HydrophobicContact CG-CD1 4.09Å; R53-F107 HydrophobicContact CG-CG 4.21Å; K55-F107 HydrophobicContact CD-CE1 4.44Å; K55-F107 HydrophobicContact CG-CD1 3.88Å; K55-F107 HydrophobicContact CG-CE1 3.88Å; V94-F107 HydrophobicContact CB-CB 4.14Å; V94-F107 PolarHBondContact N-O 3.17Å; V94-F107 PolarHBondContact O-N 2.84Å; K96-F107 HydrophobicContact CB-CD2 4.42Å; K96-F107 HydrophobicContact CB-CE2 4.16Å; K96-F107 HydrophobicContact CG-CE2 4.1Å
108W97.9Very high92.1Very high46 Ų4671.9 Ų71.917%0.17441%0.409CS..EExtended strand (participates in β ladder)trans-114.7131.6167.5-70.594.6000108I46 R53 L54 I59 L85 F91 R92 K93I46-W108 HydrophobicContact CD1-CB 4.37Å; R53-W108 CarbonylContact C-O 3.54Å; R53-W108 WeakPolarHBondContact CA-O 3.27Å; L54-W108 PolarHBondContact N-O 3.28Å; L54-W108 PolarHBondContact O-N 2.77Å; I59-W108 HydrophobicContact CD1-CB 3.94Å; I59-W108 HydrophobicContact CD1-CG 4.34Å; L85-W108 HydrophobicContact CB-CD2 4.14Å; L85-W108 HydrophobicContact CB-CE3 4.13Å; L85-W108 HydrophobicContact CB-CH2 3.98Å; L85-W108 HydrophobicContact CB-CZ2 4.01Å; L85-W108 HydrophobicContact CB-CZ3 4.05Å; L85-W108 HydrophobicContact CD1-CD2 4.28Å; L85-W108 HydrophobicContact CD1-CG 4.25Å; L85-W108 HydrophobicContact CD2-CB 4.18Å; L85-W108 HydrophobicContact CD2-CD2 3.95Å; L85-W108 HydrophobicContact CD2-CE3 4.07Å; L85-W108 HydrophobicContact CD2-CG 4.01Å; L85-W108 HydrophobicContact CG-CD2 4.36Å; L85-W108 WeakPolarHBondContact O-CH2 3.35Å; L85-W108 WeakPolarHBondContact O-CZ3 3.46Å; F91-W108 HydrophobicContact CB-CE3 4.09Å; F91-W108 HydrophobicContact CB-CZ3 4.27Å; R92-W108 WeakPolarHBondContact O-CA 3.37Å; K93-W108 HydrophobicContact CB-CE3 4.45Å; K93-W108 HydrophobicContact CB-CH2 4.3Å; K93-W108 HydrophobicContact CB-CZ3 4.19Å
109A97.6Very high92.3Very high5 Ų567 Ų674%0.04138%0.379CS..EExtended strand (participates in β ladder)trans-118.4157.3170.800000108.7R53 R92 V94R53-A109 HydrophobicContact CB-CB 4.31Å; R92-A109 HydrophobicContact CG-CB 4.09Å; R92-A109 PolarHBondContact N-O 3.17Å; R92-A109 PolarHBondContact O-N 3.06Å; V94-A109 HydrophobicContact CG2-CB 3.72Å
110V97.3Very high92.4Very high13 Ų1363.2 Ų63.28%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-105.4132.6173.866.30000109.5A43 I46 Q47 C90 F91 V112 I115A43-V110 HydrophobicContact CB-CG2 4.23Å; I46-V110 HydrophobicContact CB-CG1 4.35Å; I46-V110 HydrophobicContact CG2-CB 4.32Å; I46-V110 HydrophobicContact CG2-CG1 3.9Å; Q47-V110 HydrophobicContact CG-CG1 3.71Å; Q47-V110 VanDerWaalsContact OE1-CG1 3.31Å; C90-V110 CarbonylContact O-C 3.52Å; C90-V110 WeakPolarHBondContact O-CA 3.4Å; F91-V110 HydrophobicContact CD1-CB 4.11Å; F91-V110 HydrophobicContact CD1-CG2 4.04Å; F91-V110 HydrophobicContact CE1-CB 4.1Å; F91-V110 HydrophobicContact CE1-CG2 3.8Å; V110-V112 HydrophobicContact CG1-CG2 4.46Å; V110-I115 HydrophobicContact CG2-CD1 3.74Å; V110-I115 HydrophobicContact CG2-CG1 4.14Å
111D96.6Very high92.6Very high58 Ų5863.4 Ų63.431%0.3135%0.345SS..  trans-89.4110.1162.8-169.4-24000108.3C90 S113 L114C90-D111 PolarHBondContact O-N 3.36Å; D111-S113 VanDerWaalsContact C-N 3.27Å; D111-S113 PolarHBondContact O-N 3.43Å; D111-S113 WeakPolarHBondContact OD1-CB 3.15Å; D111-S113 PolarHBondContact OD1-N 2.97Å; D111-S113 PolarHBondContact OD1-OG 3.45Å; D111-L114 HydrophobicContact CB-CB 4.42Å; D111-L114 HydrophobicContact CB-CD1 4.06Å; D111-L114 HydrophobicContact CB-CG 4.21Å; D111-L114 PolarHBondContact O-N 2.87Å
112V94.9Very high92.7Very high43 Ų4362.7 Ų62.726%0.26134%0.337SS..G310 helixtrans-67.4-31-174.9-176.90000111.5V110 L114 I115 L149V110-V112 HydrophobicContact CG1-CG2 4.46Å; V112-L114 PolarHBondContact O-N 3.06Å; V112-I115 PolarHBondContact O-N 3.28Å; V112-L149 HydrophobicContact CG1-CB 4.16Å; V112-L149 HydrophobicContact CG1-CD2 3.31Å; V112-L149 HydrophobicContact CG1-CG 4.32Å
113S94.6Very high92.7Very high99 Ų9958.6 Ų58.669%0.69232%0.318SS*.G310 helixtrans-69.6-24.8-178.269.50000112.8D111D111-S113 VanDerWaalsContact C-N 3.27Å; D111-S113 PolarHBondContact O-N 3.43Å; D111-S113 WeakPolarHBondContact OD1-CB 3.15Å; D111-S113 PolarHBondContact OD1-N 2.97Å; D111-S113 PolarHBondContact OD1-OG 3.45Å
114L96.3Very high92.6Very high93 Ų9362.7 Ų62.749%0.48733%0.334SS..G310 helixtrans-93.83.3-178.5-60.4-178.7000113C90 D111 V112 P116C90-L114 HydrophobicContact CB-CB 4Å; D111-L114 HydrophobicContact CB-CB 4.42Å; D111-L114 HydrophobicContact CB-CD1 4.06Å; D111-L114 HydrophobicContact CB-CG 4.21Å; D111-L114 PolarHBondContact O-N 2.87Å; V112-L114 PolarHBondContact O-N 3.06Å; L114-P116 WeakPolarHBondContact O-CD 3.4Å
115I95.3Very high92.4Very high16 Ų1654.4 Ų54.48%0.08230%0.302CS..SBendtrans-80.2120.4177.9-60.7176.3000108.8L39 A43 C90 V110 V112 A117 L120 V148 L149L39-I115 HydrophobicContact CD2-CG2 4.01Å; A43-I115 HydrophobicContact CB-CD1 4.07Å; C90-I115 HydrophobicContact CB-CG1 4.02Å; V110-I115 HydrophobicContact CG2-CD1 3.74Å; V110-I115 HydrophobicContact CG2-CG1 4.14Å; V112-I115 PolarHBondContact O-N 3.28Å; I115-A117 PolarHBondContact O-N 3.43Å; I115-L120 HydrophobicContact CG2-CD1 3.89Å; I115-L120 HydrophobicContact CG2-CD2 3.85Å; I115-L120 HydrophobicContact CG2-CG 3.68Å; I115-V148 HydrophobicContact CD1-CG1 3.59Å; I115-L149 HydrophobicContact CD1-CD2 4.48Å
116P93.3Very high91.7Very high58 Ų5855.9 Ų55.938%0.37731%0.31SS..  trans-62.6130.1170-17.931.5000109.8L114 E118 A119L114-P116 WeakPolarHBondContact O-CD 3.4Å; P116-E118 VanDerWaalsContact C-N 3.27Å; P116-E118 HydrophobicContact CB-CG 4.23Å; P116-E118 WeakPolarHBondContact CB-OE1 3.37Å; P116-E118 PolarHBondContact O-N 3.19Å; P116-A119 HydrophobicContact CB-CB 4.14Å; P116-A119 HydrophobicContact CG-CB 4.41Å; P116-A119 VanDerWaalsContact O-CB 3.27Å; P116-A119 WeakPolarHBondContact O-CB 3.32Å; P116-A119 PolarHBondContact O-N 3.36Å
117A87.8Confident90.9Very high54 Ų5456.1 Ų56.145%0.44631%0.311SS..G310 helixtrans-59.9-41.6-17400000111.6I115 A119 L120I115-A117 PolarHBondContact O-N 3.43Å; A117-A119 PolarHBondContact O-N 3.03Å; A117-L120 WeakPolarHBondContact O-CB 3.41Å; A117-L120 PolarHBondContact O-N 3.32Å; A117-L120 VanDerWaalsContact O-N 3.12Å
118E90.6Very high89.9Confident122 Ų12255.1 Ų55.157%0.5731%0.308SS*.G310 helixtrans-58.3-28.7173.537.1-69.915400113.8P116 L120 R121P116-E118 VanDerWaalsContact C-N 3.27Å; P116-E118 HydrophobicContact CB-CG 4.23Å; P116-E118 WeakPolarHBondContact CB-OE1 3.37Å; P116-E118 PolarHBondContact O-N 3.19Å; E118-L120 PolarHBondContact O-N 3.11Å; E118-R121 PolarHBondContact O-N 3.45Å
119A92.4Very high88.9Confident17 Ų1758.7 Ų58.714%0.1432%0.322CS..G310 helixtrans-68.2-25.7177.400000112.3T37 L39 A40 P116 A117T37-A119 PolarHBondContact OG1-O 2.93Å; L39-A119 HydrophobicContact CD1-CB 4.25Å; L39-A119 HydrophobicContact CD2-CB 3.98Å; A40-A119 WeakPolarHBondContact CB-O 3.47Å; P116-A119 HydrophobicContact CB-CB 4.14Å; P116-A119 HydrophobicContact CG-CB 4.41Å; P116-A119 VanDerWaalsContact O-CB 3.27Å; P116-A119 WeakPolarHBondContact O-CB 3.32Å; P116-A119 PolarHBondContact O-N 3.36Å; A117-A119 PolarHBondContact O-N 3.03Å
120L93.6Very high87.9Confident1 Ų164.5 Ų64.51%0.00534%0.343CS..G310 helixtrans-85.5-11.1178.3-60.7-175.7000113.8A40 I115 A117 E118 L144 V148 L149A40-L120 HydrophobicContact CB-CD2 3.89Å; I115-L120 HydrophobicContact CG2-CD1 3.89Å; I115-L120 HydrophobicContact CG2-CD2 3.85Å; I115-L120 HydrophobicContact CG2-CG 3.68Å; A117-L120 WeakPolarHBondContact O-CB 3.41Å; A117-L120 PolarHBondContact O-N 3.32Å; A117-L120 VanDerWaalsContact O-N 3.12Å; E118-L120 PolarHBondContact O-N 3.11Å; L120-L144 HydrophobicContact CB-CB 4.3Å; L120-L144 PolarHBondContact O-N 3.08Å; L120-V148 HydrophobicContact CD1-CB 4.01Å; L120-V148 HydrophobicContact CD1-CG1 4.18Å; L120-V148 HydrophobicContact CD1-CG2 4.46Å; L120-V148 HydrophobicContact CD2-CB 4.36Å; L120-V148 HydrophobicContact CD2-CG1 4.28Å; L120-V148 HydrophobicContact CD2-CG2 4.05Å; L120-L149 HydrophobicContact CD1-CD1 4.46Å; L120-L149 HydrophobicContact CD1-CD2 3.9Å; L120-L149 HydrophobicContact CD1-CG 4.08Å
121R91.3Very high86.7Confident141 Ų14167.1 Ų67.153%0.53235%0.351SS..BIsolated β-bridgetrans-75.4152.9178-68.3-176.9171.7149-2.9111.4E118 Q123E118-R121 PolarHBondContact O-N 3.45Å; R121-Q123 PolarHBondContact O-N 3.43Å
122L88.1Confident85.5Confident51 Ų5172.6 Ų72.627%0.26738%0.375SS..PPolyproline II helixtrans-58.9130.7173.4-160.478.8000110.9P35 Y36 C128 F140 A141 K142P35-L122 HydrophobicContact CB-CD1 4.02Å; P35-L122 HydrophobicContact CB-CG 4.19Å; P35-L122 HydrophobicContact CG-CD1 3.36Å; P35-L122 HydrophobicContact CG-CG 4Å; Y36-L122 HydrophobicContact CD1-CD1 4.16Å; Y36-L122 HydrophobicContact CE1-CD1 3.65Å; L122-C128 HydrophobicContact CD2-CB 4.1Å; L122-C128 WeakPolarHBondContact CD2-SG 3.48Å; L122-F140 HydrophobicContact CD1-CB 3.86Å; L122-A141 WeakPolarHBondContact CD1-O 3.1Å; L122-K142 WeakPolarHBondContact CB-O 3.38Å; L122-K142 PolarHBondContact N-O 2.7Å
123Q87.3Confident84.3Confident79 Ų7979.7 Ų79.737%0.36940%0.402SS..PPolyproline II helixtrans-74.2144.7174.3-64.7-168.6-41.200111.2P35 T37 R121 T125 C128P35-Q123 PolarHBondContact O-N 2.95Å; T37-Q123 HydrophobicContact CG2-CG 4.19Å; T37-Q123 VanDerWaalsContact CG2-NE2 3.29Å; R121-Q123 PolarHBondContact O-N 3.43Å; Q123-T125 HydrophobicContact CB-CG2 4.07Å; Q123-T125 PolarHBondContact O-N 3.48Å; Q123-C128 PolarHBondContact O-SG 2.87Å
124N82.6Confident82.9Confident128 Ų12878.1 Ų78.168%0.68440%0.402SS*.  trans-77.171.5176.2-171.7-1.4000112R129N124-R129 PolarHBondContact O-NH1 3.42Å; N124-R129 WeakPolarHBondContact OD1-CG 3.49Å; N124-R129 PolarHBondContact OD1-NH1 2.92Å
125T81.6Confident81.2Confident42 Ų4276.1 Ų76.126%0.25840%0.403SS..  trans-90.2162.7175.469.20000111.6P35 Q123 L127 C128 R129P35-T125 HydrophobicContact CB-CG2 3.98Å; Q123-T125 HydrophobicContact CB-CG2 4.07Å; Q123-T125 PolarHBondContact O-N 3.48Å; T125-L127 PolarHBondContact O-N 3.18Å; T125-C128 WeakPolarHBondContact O-CB 3.08Å; T125-C128 PolarHBondContact O-N 3.4Å; T125-C128 PolarHBondContact OG1-N 3.33Å; T125-C128 PolarHBondContact OG1-SG 3.47Å; T125-C128 VanDerWaalsContact OG1-SG 3.33Å; T125-R129 PolarHBondContact O-N 3.16Å
126A75.6Confident79.4Confident67 Ų6779.6 Ų79.655%0.55444%0.435SS*.Hα-helixtrans-56.9-32.6174.200000112.5R129 R130A126-R129 PolarHBondContact O-N 3.31Å; A126-R130 WeakPolarHBondContact O-CB 3.49Å; A126-R130 PolarHBondContact O-N 3.19Å
127L76.7Confident77.6Confident12 Ų1288.8 Ų88.86%0.06346%0.462CS..Hα-helixtrans-63.6-45173.9173.5144.4000112.1D32 P35 T125 R129 R130 W131 F140D32-L127 HydrophobicContact CB-CD1 3Å; D32-L127 HydrophobicContact CB-CG 4.42Å; P35-L127 HydrophobicContact CB-CD2 4.49Å; P35-L127 HydrophobicContact CG-CD2 3.97Å; T125-L127 PolarHBondContact O-N 3.18Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 3.46Å; L127-R130 WeakPolarHBondContact O-CB 3.45Å; L127-R130 PolarHBondContact O-N 2.94Å; L127-W131 HydrophobicContact CD1-CH2 4.34Å; L127-W131 HydrophobicContact CD1-CZ2 3.81Å; L127-W131 HydrophobicContact CD2-CD2 3.57Å; L127-W131 HydrophobicContact CD2-CE3 3.48Å; L127-W131 VanDerWaalsContact CD2-CE3 3.48Å; L127-W131 HydrophobicContact CD2-CG 4.42Å; L127-W131 HydrophobicContact CD2-CH2 3.73Å; L127-W131 HydrophobicContact CD2-CZ2 3.76Å; L127-W131 HydrophobicContact CD2-CZ3 3.59Å; L127-W131 HydrophobicContact CG-CD2 3.99Å; L127-W131 HydrophobicContact CG-CE3 4.39Å; L127-W131 HydrophobicContact CG-CH2 4.43Å; L127-W131 HydrophobicContact CG-CZ2 3.97Å; L127-W131 PolarHBondContact O-N 3.25Å; L127-F140 HydrophobicContact CD2-CD2 4.26Å; L127-F140 HydrophobicContact CD2-CE2 4.43Å
128C75.8Confident76.4Confident12 Ų1288 Ų888%0.08146%0.46CS..Hα-helixtrans-60.7-44.1177.9-650000111.6P35 L122 Q123 T125 R130 W131 Q132P35-C128 WeakPolarHBondContact CB-SG 3.09Å; P35-C128 WeakPolarHBondContact CG-SG 3.29Å; L122-C128 HydrophobicContact CD2-CB 4.1Å; L122-C128 WeakPolarHBondContact CD2-SG 3.48Å; Q123-C128 PolarHBondContact O-SG 2.87Å; T125-C128 WeakPolarHBondContact O-CB 3.08Å; T125-C128 PolarHBondContact O-N 3.4Å; T125-C128 PolarHBondContact OG1-N 3.33Å; T125-C128 PolarHBondContact OG1-SG 3.47Å; T125-C128 VanDerWaalsContact OG1-SG 3.33Å; C128-R130 VanDerWaalsContact C-N 3.29Å; C128-R130 PolarHBondContact O-N 3.05Å; C128-W131 PolarHBondContact O-N 3.23Å; C128-Q132 PolarHBondContact O-N 2.85Å
129R77.2Confident75.6Confident121 Ų12184.3 Ų84.346%0.45745%0.45SS..Hα-helixtrans-62-38.5177.8-66.3-170-69.6-8710112N124 T125 A126 L127 K133N124-R129 PolarHBondContact O-NH1 3.42Å; N124-R129 WeakPolarHBondContact OD1-CG 3.49Å; N124-R129 PolarHBondContact OD1-NH1 2.92Å; T125-R129 PolarHBondContact O-N 3.16Å; A126-R129 PolarHBondContact O-N 3.31Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 3.46Å; R129-K133 PolarHBondContact O-N 3.06Å
130R76.6Confident75.1Confident127 Ų12784.8 Ų84.848%0.47945%0.449SS..Hα-helixtrans-65.5-42.8175.2-175.7178.362.3-157.9-0.1111.6D32 A126 L127 C128 K133 G134D32-R130 IonicContact OD1-NH2 3.88Å; D32-R130 IonicContact OD2-CZ 3.71Å; D32-R130 IonicContact OD2-NH1 3.96Å; D32-R130 IonicContact OD2-NH2 2.66Å; D32-R130 PolarHBondContact OD2-NH2 3.44Å; A126-R130 WeakPolarHBondContact O-CB 3.49Å; A126-R130 PolarHBondContact O-N 3.19Å; L127-R130 WeakPolarHBondContact O-CB 3.45Å; L127-R130 PolarHBondContact O-N 2.94Å; C128-R130 VanDerWaalsContact C-N 3.29Å; C128-R130 PolarHBondContact O-N 3.05Å; R130-K133 PolarHBondContact O-N 3.21Å; R130-G134 PolarHBondContact O-N 2.95Å; R130-G134 VanDerWaalsContact O-N 3.11Å
131W71.9Confident74.8Confident68 Ų6885.9 Ų85.926%0.25846%0.458SS..Hα-helixtrans-71.2-31.9180-69.7-10.5000113.8L127 C128 K133 G134 A139 F140L127-W131 HydrophobicContact CD1-CH2 4.34Å; L127-W131 HydrophobicContact CD1-CZ2 3.81Å; L127-W131 HydrophobicContact CD2-CD2 3.57Å; L127-W131 HydrophobicContact CD2-CE3 3.48Å; L127-W131 VanDerWaalsContact CD2-CE3 3.48Å; L127-W131 HydrophobicContact CD2-CG 4.42Å; L127-W131 HydrophobicContact CD2-CH2 3.73Å; L127-W131 HydrophobicContact CD2-CZ2 3.76Å; L127-W131 HydrophobicContact CD2-CZ3 3.59Å; L127-W131 HydrophobicContact CG-CD2 3.99Å; L127-W131 HydrophobicContact CG-CE3 4.39Å; L127-W131 HydrophobicContact CG-CH2 4.43Å; L127-W131 HydrophobicContact CG-CZ2 3.97Å; L127-W131 PolarHBondContact O-N 3.25Å; C128-W131 PolarHBondContact O-N 3.23Å; W131-K133 PolarHBondContact O-N 2.86Å; W131-G134 PolarHBondContact O-N 3.36Å; W131-A139 HydrophobicContact CE3-CB 4.29Å; W131-F140 HydrophobicContact CE3-CD2 4.11Å; W131-F140 AromaticContact CH2-CD2 3.17Å; W131-F140 HydrophobicContact CH2-CD2 3.17Å; W131-F140 AromaticContact CH2-CE2 3.23Å; W131-F140 HydrophobicContact CH2-CE2 3.23Å; W131-F140 AromaticContact CH2-CG 3.98Å; W131-F140 HydrophobicContact CH2-CG 3.98Å; W131-F140 HydrophobicContact CH2-CZ 4.13Å; W131-F140 HydrophobicContact CZ2-CD2 4.45Å; W131-F140 HydrophobicContact CZ2-CE2 4.31Å; W131-F140 HydrophobicContact CZ3-CB 3.77Å; W131-F140 AromaticContact CZ3-CD2 2.95Å; W131-F140 HydrophobicContact CZ3-CD2 2.95Å; W131-F140 AromaticContact CZ3-CE2 3.6Å; W131-F140 HydrophobicContact CZ3-CE2 3.6Å; W131-F140 AromaticContact CZ3-CG 3.56Å; W131-F140 HydrophobicContact CZ3-CG 3.56Å
132Q71.7Confident74.6Confident173 Ų17387.7 Ų87.781%0.80847%0.47SS*.Hα-helixtrans-64.9-27.9174.1-166.7165.67.300112.4C128C128-Q132 PolarHBondContact O-N 2.85Å
133K70.3Confident74.8Confident192 Ų19288.3 Ų88.384%0.83547%0.473SS*.Hα-helixtrans-88-24.8177.1-66.9-178179.4-169.70113.8R129 R130 W131R129-K133 PolarHBondContact O-N 3.06Å; R130-K133 PolarHBondContact O-N 3.21Å; W131-K133 PolarHBondContact O-N 2.86Å
134G65.9Low75Confident66 Ų6684.5 Ų84.568%0.6846%0.456SS*.Hα-helixtrans-95.83-169.900000116.7R130 W131R130-G134 PolarHBondContact O-N 2.95Å; R130-G134 VanDerWaalsContact O-N 3.11Å; W131-G134 PolarHBondContact O-N 3.36Å
135G60.1Low75.5Confident51 Ų5178.7 Ų78.753%0.52643%0.425SS..  trans86.6143.5-175.300000113.3R137G135-R137 PolarHBondContact O-N 2.94Å
136A57.8Low76Confident90 Ų9079 Ų7974%0.74443%0.428SS*.SBendtrans-70.52.1-164.800000116.7G138 A139A136-G138 PolarHBondContact O-N 3.25Å; A136-A139 PolarHBondContact O-N 3.12Å
137R55.6Low76.8Confident250 Ų25078.9 Ų78.994%0.94341%0.414SS*.THydrogen-bonded Turntrans-71.3114.5-178.2-70.9-167.2-170.1-1704.8110G135G135-R137 PolarHBondContact O-N 2.94Å
138G62Low77.6Confident39 Ų3978.3 Ų78.340%0.40241%0.411SS..THydrogen-bonded Turntrans83.616.2-179.400000114.6A136 P157A136-G138 PolarHBondContact O-N 3.25Å; G138-P157 WeakPolarHBondContact O-CB 3.44Å
139A72.7Confident78.4Confident44 Ų4481.4 Ų81.436%0.36443%0.426SS..PPolyproline II helixtrans-75.2143.8175.300000111.9W131 A136W131-A139 HydrophobicContact CE3-CB 4.29Å; A136-A139 PolarHBondContact O-N 3.12Å
140F82.6Confident78.9Confident26 Ų2682.2 Ų82.211%0.11444%0.435CS..PPolyproline II helixtrans-63147.6169.4-78-59000108.6P34 P35 Y36 F67 L122 L127 W131 K142 P157P34-F140 HydrophobicContact CB-CE1 4.48Å; P34-F140 HydrophobicContact CB-CE2 4.25Å; P34-F140 HydrophobicContact CB-CZ 3.99Å; P34-F140 HydrophobicContact CG-CZ 4.3Å; P35-F140 HydrophobicContact CG-CB 4.31Å; P35-F140 HydrophobicContact CG-CD2 3.5Å; P35-F140 VanDerWaalsContact CG-CD2 3.5Å; P35-F140 HydrophobicContact CG-CE2 4.22Å; P35-F140 HydrophobicContact CG-CG 4.19Å; Y36-F140 HydrophobicContact CE2-CB 4Å; Y36-F140 AromaticContact CE2-CD1 3.61Å; Y36-F140 HydrophobicContact CE2-CD1 3.61Å; Y36-F140 HydrophobicContact CE2-CE1 4.29Å; Y36-F140 AromaticContact CE2-CG 3.87Å; Y36-F140 HydrophobicContact CE2-CG 3.87Å; Y36-F140 WeakPolarHBondContact OH-CB 3.31Å; F67-F140 HydrophobicContact CD1-CE1 4.12Å; F67-F140 HydrophobicContact CE1-CE1 4.14Å; L122-F140 HydrophobicContact CD1-CB 3.86Å; L127-F140 HydrophobicContact CD2-CD2 4.26Å; L127-F140 HydrophobicContact CD2-CE2 4.43Å; W131-F140 HydrophobicContact CE3-CD2 4.11Å; W131-F140 AromaticContact CH2-CD2 3.17Å; W131-F140 HydrophobicContact CH2-CD2 3.17Å; W131-F140 AromaticContact CH2-CE2 3.23Å; W131-F140 HydrophobicContact CH2-CE2 3.23Å; W131-F140 AromaticContact CH2-CG 3.98Å; W131-F140 HydrophobicContact CH2-CG 3.98Å; W131-F140 HydrophobicContact CH2-CZ 4.13Å; W131-F140 HydrophobicContact CZ2-CD2 4.45Å; W131-F140 HydrophobicContact CZ2-CE2 4.31Å; W131-F140 HydrophobicContact CZ3-CB 3.77Å; W131-F140 AromaticContact CZ3-CD2 2.95Å; W131-F140 HydrophobicContact CZ3-CD2 2.95Å; W131-F140 AromaticContact CZ3-CE2 3.6Å; W131-F140 HydrophobicContact CZ3-CE2 3.6Å; W131-F140 AromaticContact CZ3-CG 3.56Å; W131-F140 HydrophobicContact CZ3-CG 3.56Å; F140-K142 PolarHBondContact O-N 3.13Å; F140-P157 HydrophobicContact CD1-CG 3.57Å; F140-P157 HydrophobicContact CE1-CG 3.67Å; F140-P157 HydrophobicContact CG-CG 4.19Å; F140-P157 HydrophobicContact CZ-CG 4.33Å
141A87.3Confident79.2Confident24 Ų2477.8 Ų77.820%0.19843%0.429CS..PPolyproline II helixtrans-57.3134.4174.600000110.6Y36 L122 D143 L144 Y147 Y154Y36-A141 WeakPolarHBondContact CE1-O 3.45Å; Y36-A141 PolarHBondContact OH-N 3.29Å; Y36-A141 PolarHBondContact OH-O 2.75Å; L122-A141 WeakPolarHBondContact CD1-O 3.1Å; A141-D143 PolarHBondContact O-N 3.15Å; A141-L144 HydrophobicContact CB-CD2 4.34Å; A141-Y147 HydrophobicContact CB-CE2 3.96Å; A141-Y154 HydrophobicContact CB-CE2 4.06Å
142K87.7Confident80Confident180 Ų18082.4 Ų82.478%0.78345%0.446SS*.SBendtrans-63.1-29179.7-64.8-179-179.81790112.5L122 F140L122-K142 WeakPolarHBondContact CB-O 3.38Å; L122-K142 PolarHBondContact N-O 2.7Å; F140-K142 PolarHBondContact O-N 3.13Å
143D90.8Very high80.7Confident63 Ų6379.8 Ų79.834%0.33744%0.444SS..BIsolated β-bridgetrans-144.3133-179-174.83.3000109.3A141 G145A141-D143 PolarHBondContact O-N 3.15Å; D143-G145 PolarHBondContact OD1-N 3.43Å
144L92.8Very high81.5Confident0 Ų072 Ų720%041%0.41CS..SBendtrans-89-6.1175.5-68.1176000113.5Y36 A40 L44 L120 A141 Y147 V148 Y154Y36-L144 HydrophobicContact CD1-CD1 3.52Å; Y36-L144 HydrophobicContact CD1-CG 4.01Å; Y36-L144 HydrophobicContact CD2-CD1 4.14Å; Y36-L144 HydrophobicContact CE1-CD1 3.57Å; Y36-L144 HydrophobicContact CE1-CD2 4.09Å; Y36-L144 HydrophobicContact CE1-CG 3.56Å; Y36-L144 HydrophobicContact CE2-CD1 4.16Å; Y36-L144 HydrophobicContact CE2-CD2 4.5Å; Y36-L144 HydrophobicContact CG-CD1 3.8Å; A40-L144 HydrophobicContact CB-CD1 3.98Å; L44-L144 HydrophobicContact CD1-CD2 4.48Å; L44-L144 HydrophobicContact CD2-CD1 4.3Å; L44-L144 HydrophobicContact CD2-CD2 4.2Å; L120-L144 HydrophobicContact CB-CB 4.3Å; L120-L144 PolarHBondContact O-N 3.08Å; A141-L144 HydrophobicContact CB-CD2 4.34Å; L144-Y147 HydrophobicContact CD2-CD2 4.04Å; L144-Y147 HydrophobicContact CD2-CE2 4.49Å; L144-Y147 PolarHBondContact O-N 3.14Å; L144-V148 HydrophobicContact CB-CG2 4.17Å; L144-V148 WeakPolarHBondContact O-CG2 3.34Å; L144-V148 PolarHBondContact O-N 3.09Å; L144-Y154 HydrophobicContact CD2-CD2 3.74Å; L144-Y154 HydrophobicContact CD2-CE2 3.4Å; L144-Y154 VanDerWaalsContact CD2-CE2 3.4Å
145G92.9Very high82.3Confident5 Ų577.9 Ų77.95%0.05241%0.412CS..Hα-helixtrans-46-48.8178.200000115.2D143 Y147 V148 L149D143-G145 PolarHBondContact OD1-N 3.43Å; G145-Y147 PolarHBondContact O-N 3.05Å; G145-V148 PolarHBondContact O-N 3.23Å; G145-L149 WeakPolarHBondContact O-CA 3.48Å; G145-L149 WeakPolarHBondContact O-CB 3.37Å; G145-L149 VanDerWaalsContact O-CG 3.3Å; G145-L149 WeakPolarHBondContact O-CG 3.36Å; G145-L149 PolarHBondContact O-N 2.93Å
146P92.3Very high82.9Confident49 Ų4977.1 Ų77.132%0.31840%0.398SS..Hα-helixtrans-60.5-29.1178.1-26.536.2000114.2H150 R152P146-H150 VanDerWaalsContact O-CB 3.31Å; P146-H150 WeakPolarHBondContact O-CB 3.41Å; P146-R152 WeakPolarHBondContact O-CB 3.37Å; P146-R152 WeakPolarHBondContact O-CG 3.46Å; P146-R152 PolarHBondContact O-N 3.47Å
147Y92.4Very high83.5Confident65 Ų6574.7 Ų74.726%0.25537%0.374SS..Hα-helixtrans-90.1-39.4-177.6-48.6-80.8000111.7A141 L144 G145 G151 R152 P153 Y154A141-Y147 HydrophobicContact CB-CE2 3.96Å; L144-Y147 HydrophobicContact CD2-CD2 4.04Å; L144-Y147 HydrophobicContact CD2-CE2 4.49Å; L144-Y147 PolarHBondContact O-N 3.14Å; G145-Y147 PolarHBondContact O-N 3.05Å; Y147-G151 VanDerWaalsContact O-CA 3.27Å; Y147-G151 WeakPolarHBondContact O-CA 3.3Å; Y147-G151 PolarHBondContact O-N 3.02Å; Y147-R152 WeakPolarHBondContact CA-O 3.45Å; Y147-R152 HydrophobicContact CD1-CB 4Å; Y147-R152 WeakPolarHBondContact CD1-O 3.42Å; Y147-P153 WeakPolarHBondContact CD1-O 3.5Å; Y147-P153 WeakPolarHBondContact CE1-O 3.49Å; Y147-Y154 HydrophobicContact CD1-CD2 4.08Å; Y147-Y154 HydrophobicContact CD1-CG 4.42Å; Y147-Y154 AromaticContact CD2-CD2 3.79Å; Y147-Y154 HydrophobicContact CD2-CD2 3.79Å; Y147-Y154 HydrophobicContact CE1-CD2 4.13Å; Y147-Y154 AromaticContact CE2-CD2 3.85Å; Y147-Y154 HydrophobicContact CE2-CD2 3.85Å; Y147-Y154 HydrophobicContact CE2-CE2 4.41Å; Y147-Y154 AromaticContact CG-CD2 3.9Å; Y147-Y154 HydrophobicContact CG-CD2 3.9Å; Y147-Y154 HydrophobicContact CG-CG 4.38Å
148V93.3Very high83.7Confident0 Ų067.1 Ų67.10%036%0.359CS..Hα-helixtrans-79.4-47.2-178.21790000111.4A43 L44 Q47 I115 L120 L144 G145A43-V148 HydrophobicContact CB-CG1 3.81Å; A43-V148 HydrophobicContact CB-CG2 4.46Å; L44-V148 HydrophobicContact CB-CG2 4.14Å; L44-V148 HydrophobicContact CD1-CG2 4.11Å; Q47-V148 HydrophobicContact CG-CG1 4.05Å; Q47-V148 WeakPolarHBondContact CG-O 3.3Å; Q47-V148 PolarHBondContact NE2-O 3.19Å; I115-V148 HydrophobicContact CD1-CG1 3.59Å; L120-V148 HydrophobicContact CD1-CB 4.01Å; L120-V148 HydrophobicContact CD1-CG1 4.18Å; L120-V148 HydrophobicContact CD1-CG2 4.46Å; L120-V148 HydrophobicContact CD2-CB 4.36Å; L120-V148 HydrophobicContact CD2-CG1 4.28Å; L120-V148 HydrophobicContact CD2-CG2 4.05Å; L144-V148 HydrophobicContact CB-CG2 4.17Å; L144-V148 WeakPolarHBondContact O-CG2 3.34Å; L144-V148 PolarHBondContact O-N 3.09Å; G145-V148 PolarHBondContact O-N 3.23Å
149L92.3Very high83.5Confident76 Ų7669.9 Ų69.940%0.39837%0.37SS..THydrogen-bonded Turntrans-82.8-41.2-174-47179.4000111.5V112 I115 L120 G145V112-L149 HydrophobicContact CG1-CB 4.16Å; V112-L149 HydrophobicContact CG1-CD2 3.31Å; V112-L149 HydrophobicContact CG1-CG 4.32Å; I115-L149 HydrophobicContact CD1-CD2 4.48Å; L120-L149 HydrophobicContact CD1-CD1 4.46Å; L120-L149 HydrophobicContact CD1-CD2 3.9Å; L120-L149 HydrophobicContact CD1-CG 4.08Å; G145-L149 WeakPolarHBondContact O-CA 3.48Å; G145-L149 WeakPolarHBondContact O-CB 3.37Å; G145-L149 VanDerWaalsContact O-CG 3.3Å; G145-L149 WeakPolarHBondContact O-CG 3.36Å; G145-L149 PolarHBondContact O-N 2.93Å
150H88.1Confident82.7Confident139 Ų13973.1 Ų73.164%0.64439%0.388SS*.SBendtrans-101.40.2-175.4-49.879.1000113.5P146 R152P146-H150 VanDerWaalsContact O-CB 3.31Å; P146-H150 WeakPolarHBondContact O-CB 3.41Å; H150-R152 HydrophobicContact CB-CG 4.44Å; H150-R152 PolarHBondContact O-N 3.33Å
151G83.6Confident81.1Confident34 Ų3477.2 Ų77.235%0.35142%0.417SS..  trans67.818.1176.300000114.9Y147Y147-G151 VanDerWaalsContact O-CA 3.27Å; Y147-G151 WeakPolarHBondContact O-CA 3.3Å; Y147-G151 PolarHBondContact O-N 3.02Å
152R87.4Confident79.6Confident164 Ų16481.5 Ų81.562%0.61944%0.442SS*.PPolyproline II helixtrans-64.1146.7176.3-64.6-172.6179.2-160.90.1110.5P146 Y147 H150 Y154P146-R152 WeakPolarHBondContact O-CB 3.37Å; P146-R152 WeakPolarHBondContact O-CG 3.46Å; P146-R152 PolarHBondContact O-N 3.47Å; Y147-R152 WeakPolarHBondContact CA-O 3.45Å; Y147-R152 HydrophobicContact CD1-CB 4Å; Y147-R152 WeakPolarHBondContact CD1-O 3.42Å; H150-R152 HydrophobicContact CB-CG 4.44Å; H150-R152 PolarHBondContact O-N 3.33Å; R152-Y154 PolarHBondContact O-N 3.3Å
153P86.2Confident77.9Confident119 Ų11978.7 Ų78.777%0.77344%0.443SS*.PPolyproline II helixtrans-66.2124.6177.526.2-33.2000110.5Y147Y147-P153 WeakPolarHBondContact CD1-O 3.5Å; Y147-P153 WeakPolarHBondContact CE1-O 3.49Å
154Y87.6Confident76Confident27 Ų2780.9 Ų80.911%0.10646%0.463CS..PPolyproline II helixtrans-91.3127.8174.1178.5-99.9000110.8Y36 L44 V66 A141 L144 Y147 R152 P156Y36-Y154 PolarHBondContact OH-OH 3.38Å; L44-Y154 HydrophobicContact CD1-CD1 4.48Å; L44-Y154 HydrophobicContact CD1-CG 4.03Å; L44-Y154 HydrophobicContact CD2-CD1 3.62Å; L44-Y154 HydrophobicContact CD2-CD2 4.44Å; L44-Y154 HydrophobicContact CD2-CE1 3.83Å; L44-Y154 HydrophobicContact CD2-CG 3.93Å; L44-Y154 HydrophobicContact CG-CD1 4.46Å; L44-Y154 HydrophobicContact CG-CG 4.48Å; V66-Y154 HydrophobicContact CG1-CD1 4.3Å; V66-Y154 HydrophobicContact CG1-CE1 4.02Å; A141-Y154 HydrophobicContact CB-CE2 4.06Å; L144-Y154 HydrophobicContact CD2-CD2 3.74Å; L144-Y154 HydrophobicContact CD2-CE2 3.4Å; L144-Y154 VanDerWaalsContact CD2-CE2 3.4Å; Y147-Y154 HydrophobicContact CD1-CD2 4.08Å; Y147-Y154 HydrophobicContact CD1-CG 4.42Å; Y147-Y154 AromaticContact CD2-CD2 3.79Å; Y147-Y154 HydrophobicContact CD2-CD2 3.79Å; Y147-Y154 HydrophobicContact CE1-CD2 4.13Å; Y147-Y154 AromaticContact CE2-CD2 3.85Å; Y147-Y154 HydrophobicContact CE2-CD2 3.85Å; Y147-Y154 HydrophobicContact CE2-CE2 4.41Å; Y147-Y154 AromaticContact CG-CD2 3.9Å; Y147-Y154 HydrophobicContact CG-CD2 3.9Å; Y147-Y154 HydrophobicContact CG-CG 4.38Å; R152-Y154 PolarHBondContact O-N 3.3Å; Y154-P156 HydrophobicContact CD1-CG 4.22Å; Y154-P156 HydrophobicContact CE1-CB 4.24Å; Y154-P156 HydrophobicContact CE1-CG 3.94Å
155R82.8Confident74.2Confident190 Ų19090.7 Ų90.772%0.71751%0.509SS*.  trans-110.6114.8173.6-165.7172.2-173.6141.3-0.3109.2
156P73.4Confident72.6Confident36 Ų3692.5 Ų92.523%0.23453%0.527CS..PPolyproline II helixtrans-61.1147.6175.3-20.431.7000110.8V66 Y154 S158V66-P156 HydrophobicContact CG1-CG 3.88Å; Y154-P156 HydrophobicContact CD1-CG 4.22Å; Y154-P156 HydrophobicContact CE1-CB 4.24Å; Y154-P156 HydrophobicContact CE1-CG 3.94Å; P156-S158 PolarHBondContact O-N 3.33Å; P156-S158 VanDerWaalsContact O-N 3.11Å
157P69.8Low70.9Confident38 Ų38100 Ų10025%0.24756%0.556CS.*PPolyproline II helixtrans-60.5118170.522.3-29.1000109.2G138 F140G138-P157 WeakPolarHBondContact O-CB 3.44Å; F140-P157 HydrophobicContact CD1-CG 3.57Å; F140-P157 HydrophobicContact CE1-CG 3.67Å; F140-P157 HydrophobicContact CG-CG 4.19Å; F140-P157 HydrophobicContact CZ-CG 4.33Å
158S59.6Low69.4Low91 Ų9199.8 Ų99.864%0.63656%0.563SS**PPolyproline II helixtrans-71142.6171.352.60000109.2P156P156-S158 PolarHBondContact O-N 3.33Å; P156-S158 VanDerWaalsContact O-N 3.11Å
159P58.3Low67.9Low97 Ų97105.7 Ų105.763%0.6359%0.594SS**PPolyproline II helixtrans-54.5142.4166.822.8-30.5000109
160P54.8Low66.1Low113 Ų113109.6 Ų109.673%0.73461%0.608SS**PPolyproline II helixtrans-56.3141.1175.823.7-31.8000108.7
161P50.2Low64.6Low111 Ų111107.9 Ų107.972%0.72161%0.611SS**PPolyproline II helixtrans-54.1147.3169.125.3-32.5000108.4
162P54.3Low63.4Low114 Ų114113.5 Ų113.574%0.7463%0.632SS**PPolyproline II helixtrans-50.3139.9171.524.1-32.9000107.9S164P162-S164 PolarHBondContact O-N 3.11Å
163P53Low62.1Low122 Ų122112.6 Ų112.679%0.79264%0.639SS**  trans-52.4115.1174.922.1-30.7000106.5E165P163-E165 PolarHBondContact O-N 2.95Å
164S51.3Low59.9Low109 Ų109110.4 Ų110.476%0.76264%0.638SS**  trans-54.5120.8169.5177.30000105.1P162 G166P162-S164 PolarHBondContact O-N 3.11Å; S164-G166 PolarHBondContact O-N 3.2Å
165E54.3Low57.7Low205 Ų205112.4 Ų112.496%0.95867%0.667SS**SBendtrans-63.673.2165.8-73.6-174.2157.300107.6P163P163-E165 PolarHBondContact O-N 2.95Å
166G59.6Low55.6Low43 Ų43109.6 Ų109.644%0.44368%0.677SS.*  trans-13627.3-164.300000111.7S164S164-G166 PolarHBondContact O-N 3.2Å
167F57.2Low53.8Low207 Ų207111 Ų11191%0.90870%0.698SS**  trans-148.984.1155.6-89.1-78.9000107.1I169F167-I169 PolarHBondContact O-N 3.21Å
168S59.5Low52.1Low60 Ų60118.9 Ų118.942%0.4273%0.731SS.*  trans-82.8110170-156.40000108.2K170 S171S168-K170 PolarHBondContact O-N 2.93Å; S168-K170 WeakPolarHBondContact OG-CD 3.4Å; S168-K170 WeakPolarHBondContact OG-CE 3.34Å; S168-K170 WeakPolarHBondContact OG-CG 3.12Å; S168-S171 PolarHBondContact O-N 3.06Å
169I62.1Low50.7Low124 Ų124118.2 Ų118.264%0.63674%0.738SS**G310 helixtrans-57-16.6178.7-58.3165.5000111.5F167 S171 L172 L173F167-I169 PolarHBondContact O-N 3.21Å; I169-S171 PolarHBondContact O-N 3.34Å; I169-L172 PolarHBondContact O-N 3.05Å; I169-L173 HydrophobicContact CG2-CD1 4.36Å
170K55.1Low49.8Very low159 Ų159118.2 Ų118.269%0.69175%0.747SS**G310 helixtrans-58.8-23.6173.173.7-165176.1-173.70114S168 L172S168-K170 PolarHBondContact O-N 2.93Å; S168-K170 WeakPolarHBondContact OG-CD 3.4Å; S168-K170 WeakPolarHBondContact OG-CE 3.34Å; S168-K170 WeakPolarHBondContact OG-CG 3.12Å; K170-L172 VanDerWaalsContact C-N 3.31Å
171S56.9Low49Very low103 Ų103118.5 Ų118.572%0.7275%0.749SS**G310 helixtrans-78.2-12.2173.9-64.10000113.9S168 I169S168-S171 PolarHBondContact O-N 3.06Å; I169-S171 PolarHBondContact O-N 3.34Å
172L57.7Low48.4Very low152 Ų152125 Ų12580%0.79676%0.759SS**THydrogen-bonded Turntrans-93.7-12.1174.7-66.8173.6000113.1I169 K170I169-L172 PolarHBondContact O-N 3.05Å; K170-L172 VanDerWaalsContact C-N 3.31Å
173L59.7Low47.7Very low144 Ų144125.4 Ų125.475%0.75476%0.762SS**SBendtrans-110.59178.7-91.488.9000113.8I169 G175I169-L173 HydrophobicContact CG2-CD1 4.36Å; L173-G175 PolarHBondContact O-N 3.03Å; L173-G175 VanDerWaalsContact O-N 3.15Å
174G41.8Very low46.7Very low74 Ų74122.7 Ų122.776%0.76376%0.756SS**  trans-83.979.8175.400000112
175G40.1Very low45.8Very low69 Ų69126.3 Ų126.371%0.71177%0.766SS**  trans-111.2148.316900000112.1L173L173-G175 PolarHBondContact O-N 3.03Å; L173-G175 VanDerWaalsContact O-N 3.15Å
176S38.5Very low44.8Very low131 Ų131121.1 Ų121.192%0.91676%0.758SS**  trans92.486.4174.4-158.10000114.8
177G36.8Very low43.9Very low66 Ų66124.5 Ų124.568%0.6877%0.772SS**  114.5137.195.500000106.7
178E33.7Very low42.6Very low203 Ų203123.2 Ų123.295%0.94977%0.769SS**  cis-159.915727.6-75.3157.384.700108.3
179G30.5Very low41.3Very low76 Ų76125.2 Ų125.278%0.78478%0.783SS**  trans106.198.5141.700000120.5
180A38.7Very low40.1Very low97 Ų97124.7 Ų124.780%0.80279%0.79SS**  trans91.4157.3138.500000119.1
181P39.1Very low39.5Very low120 Ų120123 Ų12378%0.77980%0.795SS**  -119.5148.8-108.616.96.6000113.9
182W35.7Very low38.6Very low246 Ų246124.1 Ų124.193%0.93280%0.798SS**  trans-78138.9166.4-66.885.6000110.6
183P41.2Very low37.9Very low123 Ų123122.7 Ų122.780%0.79980%0.798SS**  trans-81.6114.6155.423.5-12.8000108.7
184G31.8Very low36.8Very low66 Ų66120.6 Ų120.668%0.6880%0.801SS**  trans-76.814416500000111.2
185L31.4Very low36.2Very low184 Ų184120.7 Ų120.796%0.96380%0.802SS**  trans-133.8130.9141.9-79.4177.1000107.7
186A33.8Very low35.9Very low97 Ų97124.9 Ų124.980%0.80281%0.814SS**  trans-98.9-161-166.300000110.4
187P41.8Very low35.4Very low113 Ų113122.3 Ų122.373%0.73481%0.809SS**  -112.2154.8-127.233.9-15.1000113.3
188Q29.8Very low35.2Very low181 Ų181126.9 Ų126.985%0.84682%0.817SS**  trans-148.2111.2165.1-73.4-6925.700112.9
189S31.1Very low35Very low101 Ų101122.6 Ų122.671%0.70681%0.81SS**  trans49.4122.8131.862.30000122.1
190S38Very low35.1Very low113 Ų113122.4 Ų122.479%0.7981%0.808SS**  trans-54.3161.8150.5-51.20000112.8
191P40.9Very low34.8Very low123 Ų123126.8 Ų126.880%0.79981%0.812SS**  -141.5149.1113.130.7-14000114.9
192V37.8Very low34.4Very low128 Ų128130.3 Ų130.378%0.77682%0.818SS**  trans-76.2149.6160.41740000108.6
193P44.2Very low34.3Very low121 Ų121122.8 Ų122.879%0.78681%0.808SS**  -136.3142124.329.9-14.3000113.2
194A35.7Very low34.2Very low101 Ų101122.1 Ų122.184%0.83580%0.801SS**  trans-78.3141.7160.900000109.5
195G30.6Very low34.4Very low76 Ų76124.9 Ų124.978%0.78481%0.807SS**  trans-177.4105175.300000112.5
196T33.5Very low34.6Very low156 Ų156121.7 Ų121.796%0.95780%0.796SS**  trans-53.6138.1179-40.60000113.8
197G27.8Very low35.3Very low78 Ų78122.1 Ų122.180%0.80479%0.79SS**  trans-176113.1170.200000112.4
198N31.3Very low35.1Very low161 Ų161122.5 Ų122.586%0.86179%0.793SS**  trans-93.2130.7-169.9-171.919.8000110.6
199S31.2Very low35.4Very low113 Ų113121.2 Ų121.279%0.7979%0.791SS**  trans163.5113.3139.658.60000113.5
200G32.2Very low35.5Very low72 Ų72122.5 Ų122.574%0.74280%0.797SS**  trans60.596.7131.200000121.3
201E31.7Very low35.3Very low189 Ų189122.3 Ų122.388%0.88380%0.796SS**  trans-177.5108.3130.851.2-167.2120.500110.2A203E201-A203 PolarHBondContact O-N 2.88Å
202E30.4Very low35Very low195 Ų195120.9 Ų120.991%0.91179%0.788SS**  trans-87.891175.7-168.8179.5124.800109
203A33.8Very low35Very low87 Ų87124 Ų12472%0.71980%0.795SS**  trans-98.2113169.100000110E201E201-A203 PolarHBondContact O-N 2.88Å
204V39.8Very low34.4Very low109 Ų109128 Ų12866%0.66179%0.794SS**  trans-62.1127.9176.1176.50000111.1T206V204-T206 PolarHBondContact O-N 3.14Å
205P36Very low34.2Very low124 Ų124128 Ų12881%0.80579%0.788SS**  trans-88.598.6164.430.5-24.4000109.8
206T36.1Very low34.1Very low118 Ų118129.9 Ų129.972%0.72478%0.78SS**PPolyproline II helixtrans-57.6128.6164.7-48.70000110.2V204V204-T206 PolarHBondContact O-N 3.14Å
207P48.6Very low34.5Very low105 Ų105130.5 Ų130.568%0.68277%0.765SS**PPolyproline II helixtrans-72.3141.9170.229.1-32.1000110.2L209P207-L209 PolarHBondContact O-N 3.44Å
208P37.1Very low34.8Very low122 Ų122131.4 Ų131.479%0.79276%0.759SS**PPolyproline II helixtrans-71.912817928.9-31.3000110.2P210P208-P210 WeakPolarHBondContact O-CD 3.24Å
209L35.3Very low34.7Very low153 Ų153131.6 Ų131.680%0.80176%0.758SS**PPolyproline II helixtrans-54131.1160.6-102.598.9000109.8P207 S211P207-L209 PolarHBondContact O-N 3.44Å; L209-S211 VanDerWaalsContact C-N 3.35Å; L209-S211 PolarHBondContact O-N 2.94Å
210P32.6Very low34.8Very low128 Ų128132 Ų13283%0.83176%0.76SS**  trans-85.287.615231.3-25.7000108.1P208 S212P208-P210 WeakPolarHBondContact O-CD 3.24Å; P210-S212 PolarHBondContact O-N 2.94Å
211S33.8Very low34.9Very low110 Ų110134.5 Ų134.577%0.76976%0.763SS**  trans-74.799.2158.3-1570000107.7L209L209-S211 VanDerWaalsContact C-N 3.35Å; L209-S211 PolarHBondContact O-N 2.94Å
212S35Very low35.1Very low92 Ų92133.2 Ų133.264%0.64376%0.761SS**  trans-155.597158.8-175.70000107.2P210 R214P210-S212 PolarHBondContact O-N 2.94Å; S212-R214 PolarHBondContact O-N 3.1Å
213E37.4Very low35.4Very low195 Ų195129.7 Ų129.791%0.91176%0.756SS**  trans-60.877.5157.4-73.1-172.4102.500108.7S215E213-S215 PolarHBondContact O-N 2.78Å; E213-S215 VanDerWaalsContact O-N 3.14Å
214R32.3Very low35.3Very low203 Ų203128.8 Ų128.877%0.76676%0.755SS**  trans-7997.4165.8-161.2177.7-118.7-107.44105.9S212 L216S212-R214 PolarHBondContact O-N 3.1Å; R214-L216 PolarHBondContact O-N 2.6Å
215S31.1Very low35.1Very low101 Ų101129.8 Ų129.871%0.70676%0.764SS**  trans-50.5104.5167-87.20000109.2E213 W217E213-S215 PolarHBondContact O-N 2.78Å; E213-S215 VanDerWaalsContact O-N 3.14Å; S215-W217 PolarHBondContact O-N 2.69Å; S215-W217 VanDerWaalsContact O-N 3.07Å
216L29.8Very low34.9Very low117 Ų117130.5 Ų130.561%0.61377%0.766SS**SBendtrans-78.117.8-172.3-84.8167000114.1R214R214-L216 PolarHBondContact O-N 2.6Å
217W40.3Very low34.6Very low169 Ų169136.1 Ų136.164%0.6477%0.774SS**  trans-11672.7172.7-60.1102000109.4S215S215-W217 PolarHBondContact O-N 2.69Å; S215-W217 VanDerWaalsContact O-N 3.07Å
218S35.4Very low33.9Very low97 Ų97137.5 Ų137.568%0.67878%0.78SS**  trans-144.575170.6-66.80000109.1
219L28.3Very low33.6Very low164 Ų164140.6 Ų140.686%0.85978%0.784SS**  trans-148.995.3158.2-75.7-177.3000109.6
220C33.1Very low33.3Very low123 Ų123137 Ų13783%0.83178%0.783SS**  trans-159.698.7137.8-86.20000106.8
221P35.1Very low33.2Very low124 Ų124139.7 Ų139.781%0.80579%0.785SS**PPolyproline II helixtrans-76.2120.3167-4.922.4000108.5
222L35.3Very low33Very low161 Ų161140.9 Ų140.984%0.84379%0.788SS**PPolyproline II helixtrans-84.4142.6165.7-84.7158.1000108.9G224L222-G224 PolarHBondContact O-N 3.28Å
223P36.4Very low32.9Very low121 Ų121143.9 Ų143.979%0.78680%0.796SS**PPolyproline II helixtrans-67.2125.9-176.3-11.726.1000110.9
224G32.3Very low32.6Very low69 Ų69143.7 Ų143.771%0.71180%0.795SS**PPolyproline II helixtrans-78.9138.2171.600000110.9L222L222-G224 PolarHBondContact O-N 3.28Å
225P36.5Very low32.5Very low129 Ų129137.5 Ų137.584%0.83879%0.794SS**PPolyproline II helixtrans-82135.9171.630.3-28.9000111
226T31.7Very low32.4Very low140 Ų140136.4 Ų136.486%0.85980%0.799SS**PPolyproline II helixtrans-55125.5175.3-40.20000111.3
227R30.1Very low32.5Very low236 Ų236138 Ų13889%0.89181%0.808SS**PPolyproline II helixtrans-84121.9174.1-174178.8-175.6177.50.1109
228V32Very low32.2Very low133 Ų133137.3 Ų137.381%0.80682%0.816SS**PPolyproline II helixtrans-96.3137.1161168.80000107.6
229E32.3Very low32.1Very low188 Ų188136 Ų13688%0.87982%0.818SS**PPolyproline II helixtrans-62155.4178-80.4162.7116.100113.6
230G28.5Very low32.9Very low76 Ų76134.7 Ų134.778%0.78482%0.819SS**  trans178.9100.217600000111.3
231E30.8Very low32.9Very low185 Ų185134.2 Ų134.286%0.86482%0.817SS**  trans-62.3153.5-176.2-50.4167.7125.500112
232T29.4Very low32.6Very low136 Ų136135.3 Ų135.383%0.83482%0.821SS**  -178.115795.4-51.10000111.8
233L33.1Very low32.4Very low154 Ų154135.9 Ų135.981%0.80682%0.824SS**  trans-55.7168.5-168.9-71.8150.2000124
234Q31.8Very low32.1Very low191 Ų191135.9 Ų135.989%0.89383%0.827SS**  trans86.7134.9152.9-61.4-136.147.700118.5
235G28.8Very low32.2Very low73 Ų73138.5 Ų138.575%0.75383%0.832SS**  cis161.2131.7-0.100000110.9
236G30.1Very low32Very low79 Ų79139.1 Ų139.181%0.81482%0.824SS**  trans84.6152.616100000119.1
237D32Very low32.2Very low150 Ų150138.1 Ų138.180%0.80282%0.819SS**  cis-167.8147.4-24-144.2-21.3000108.2
238I33.3Very low32.3Very low155 Ų155137.8 Ų137.880%0.79582%0.818SS**  trans48.1120.7161.6-33.9-171.6000120.1
239G34.1Very low32.2Very low70 Ų70135.1 Ų135.172%0.72281%0.81SS**  116.9148.85000000109.1
240P45Very low32.3Very low136 Ų136137.9 Ų137.988%0.88381%0.812SS**  cis-140.4-177.731.740.4-18.1000117.6
241S31.4Very low32.6Very low113 Ų113139.7 Ų139.779%0.7981%0.81SS**  trans-66155.1-171.4-50.60000118.9
242T30.2Very low32.6Very low146 Ų146139 Ų13990%0.89681%0.812SS**  -176134.1116.1-62.80000110.6
243L31.4Very low32.7Very low173 Ų173140.8 Ų140.891%0.90681%0.81SS**  trans-93.4136.3-171.5-76.9149.7000113.5
244S29.3Very low32.6Very low121 Ų121139.7 Ų139.785%0.84680%0.804SS**  trans-173.8146.1139.9-158.10000111.5
245P35.3Very low32.7Very low124 Ų124139.5 Ų139.581%0.80581%0.809SS**  trans-96.9135.8-152.235.3-30.8000115.9
246E31.7Very low32.7Very low143 Ų143144.6 Ų144.667%0.66881%0.813SS**  trans-96.8132.5175.2-159.7-90.2134.600110.2R248E246-R248 PolarHBondContact O-N 3.09Å; E246-R248 VanDerWaalsContact O-N 3.09Å
247P36.3Very low32.5Very low118 Ų118144.1 Ų144.177%0.76681%0.808SS**  trans-82.489.3177.730.6-30.6000111.9A249P247-A249 PolarHBondContact O-N 3.48Å
248R30.6Very low32.3Very low229 Ų229144.3 Ų144.386%0.86482%0.815SS**  trans24.983.9152.6-73-174.4179.4164.40.9116.1E246E246-R248 PolarHBondContact O-N 3.09Å; E246-R248 VanDerWaalsContact O-N 3.09Å
249A30.7Very low32Very low77 Ų77142 Ų14264%0.63681%0.813SS**PPolyproline II helixtrans-58.3136.6148.700000111.1P247P247-A249 PolarHBondContact O-N 3.48Å
250W34.9Very low32.1Very low246 Ų246144.8 Ų144.893%0.93282%0.815SS**PPolyproline II helixtrans-75.5129.9168.6-73.874.3000109.5
251P33.3Very low32.2Very low114 Ų114144 Ų14474%0.7481%0.81SS**PPolyproline II helixtrans-84.8130.7178.717.5-5.6000111.4
252L32.4Very low32.1Very low171 Ų171142.7 Ų142.790%0.89581%0.814SS**  trans-127.797.3160.8-74.9178000107.9
253H30.8Very low31.9Very low174 Ų174139.2 Ų139.281%0.80681%0.808SS**  trans-121.5133.1166-105.3-108.5000109.8
254L30.3Very low32Very low130 Ų130139.2 Ų139.268%0.68181%0.808SS**  trans68.1107.8154.8-74146.3000119.1
255L34.1Very low32Very low188 Ų188138.7 Ų138.798%0.98480%0.804SS**  -133.499.3129.7-131.983.6000109.3
256Q30.1Very low31.7Very low179 Ų179138.3 Ų138.384%0.83680%0.804SS**  trans-143.2128.7163.8-111.7167.914.100102.7
257G26.1Very low31.5Very low70 Ų70135.3 Ų135.372%0.72281%0.811SS**  cis-175.6178.1-4.100000106.4
258T26.4Very low31.2Very low153 Ų153133.5 Ų133.594%0.93981%0.814SS**  trans-150.6127.915855.70000110.3
259S27.4Very low31.6Very low108 Ų108132.1 Ų132.176%0.75582%0.817SS**  trans-116.8142.1176.848.50000109.1
260V35.4Very low31.7Very low127 Ų127139.2 Ų139.277%0.7783%0.827SS**  135.9160.8114.6178.70000108.6
261P48.1Very low31.6Very low120 Ų120131.8 Ų131.878%0.77982%0.819SS**  cis-129.3167.3-1524.2-2.5000117.5
262G29.5Very low31.7Very low85 Ų85130.6 Ų130.688%0.87681%0.813SS**  trans81.4138.3140.300000118.7
263G26.8Very low31.9Very low73 Ų73130.2 Ų130.275%0.75381%0.811SS**  cis-175.8158.10.200000110.1
264L32.2Very low32.1Very low174 Ų174133.5 Ų133.591%0.91182%0.817SS**  trans26.5125.8167.7-81.387.3000121.6
265S29.3Very low32.3Very low110 Ų110130.3 Ų130.377%0.76982%0.815SS**  158.1139.192.9-161.90000113.6
266S29.6Very low32.3Very low116 Ų116129.8 Ų129.881%0.81181%0.808SS**  trans77.1112.2147.4-154.50000121.4
267G28.2Very low32.8Very low79 Ų79127.8 Ų127.881%0.81480%0.802SS**  101118117.100000118.3
268G30.1Very low33.5Very low80 Ų80130.4 Ų130.483%0.82581%0.807SS**  trans116.487.7146.400000116.2R270G268-R270 PolarHBondContact O-N 3.43Å
269H38.3Very low34.3Very low200 Ų200129.1 Ų129.193%0.92680%0.799SS**  trans-64.8121.9157.1-64.6-77.3000109.6
270R32.2Very low34.7Very low226 Ų226129 Ų12985%0.85380%0.798SS**  trans-146.391.7154.4-156.9171.1175.8178.6-1.9110.5G268 S272G268-R270 PolarHBondContact O-N 3.43Å; R270-S272 PolarHBondContact O-N 2.94Å
271A33.2Very low34.6Very low91 Ų91132.8 Ų132.875%0.75280%0.8SS**  trans-58.8126.3158.300000108.4
272S35.7Very low34.4Very low89 Ų89132.7 Ų132.762%0.62279%0.792SS**  trans-107.493.6166.8-65.90000108.5R270 W274R270-S272 PolarHBondContact O-N 2.94Å; S272-W274 PolarHBondContact O-N 3.26Å
273L35.8Very low35Very low163 Ų163134.9 Ų134.985%0.85379%0.791SS**  trans-55.3115.7149.6-81.7123.7000108.2
274W35.2Very low35.5Very low242 Ų242137.5 Ų137.592%0.91779%0.786SS**  trans-121.584.8157.1-89.396.6000108.3S272S272-W274 PolarHBondContact O-N 3.26Å
275G34.2Very low35.6Very low63 Ų63139.7 Ų139.765%0.64978%0.784SS**  trans-127.7116.4152.500000107.3
276Q35.3Very low35.9Very low178 Ų178140.6 Ų140.683%0.83279%0.785SS**  trans175.794.4144.1-96.6173.216.400110.5
277L40Very low36.6Very low136 Ų136140.8 Ų140.871%0.71278%0.784SS**  43.8147.8126.5-81.3146.7000121.1T279L277-T279 HydrophobicContact CD2-CG2 3.9Å
278P41Very low37.5Very low126 Ų126144.8 Ų144.882%0.81879%0.786SS**  -138.2144.956.130.1-8.3000117.7
279T44.1Very low37.9Very low126 Ų126147.3 Ų147.377%0.77379%0.785SS**  trans-79.2119.9166.643.90000111.2L277L277-T279 HydrophobicContact CD2-CG2 3.9Å
280S35.9Very low38Very low106 Ų106144.2 Ų144.274%0.74178%0.78SS**  trans-147.1128.915462.60000104.8
281Y32.7Very low38.5Very low205 Ų205140.6 Ų140.680%0.80478%0.775SS**  cis-167.6131.348.8-151-107.5000108.1
282L43.6Very low39Very low119 Ų119141.7 Ų141.762%0.62377%0.774SS**  trans46.6134.3156.2-57.5175.4000123.2
283P41.1Very low39.1Very low130 Ų130145.3 Ų145.384%0.84479%0.786SS**  -123.1132.4128.933.9-23.3000111.6
284I37.3Very low39.4Very low129 Ų129141.9 Ų141.966%0.66278%0.781SS**  trans-101.1139170.1-49.9-177.1000109.1
285Y34.1Very low40.2Very low220 Ų220136.2 Ų136.286%0.86378%0.775SS**  trans93.498.1166.9-79.2-76.5000118.8
286T37.2Very low40.9Very low128 Ų128138.9 Ų138.979%0.78578%0.781SS**  trans-93.1145.9149.847.70000109.9
287P44.6Very low41.3Very low121 Ų121136.2 Ų136.279%0.78678%0.779SS**  trans-84.5148162.832.1-30.4000111.5V289P287-V289 PolarHBondContact O-N 3.33Å
288N45.2Very low41.2Very low163 Ų163136 Ų13687%0.87278%0.784SS**  trans-42.4123.3-178.2-69.6-52.3000115.6
289V40.3Very low40.9Very low132 Ų132135.4 Ų135.480%0.878%0.782SS**  trans-143.4114149-1750000108P287P287-V289 PolarHBondContact O-N 3.33Å
290V38.8Very low40.4Very low135 Ų135135.6 Ų135.682%0.81879%0.788SS**  trans-79.2126.4172.1166.30000108.6
291M43.6Very low40.9Very low150 Ų150135.8 Ų135.874%0.73979%0.786SS**  trans-125.4129.7165.4-161.676.588.900107.7
292P43.2Very low41.5Very low115 Ų115134.9 Ų134.975%0.74779%0.789SS**  trans-85.8121.3-179.930-26.9000110.8
293L38.5Very low41.3Very low165 Ų165135.4 Ų135.486%0.86480%0.801SS**  trans-104.4136.3163.4-96.483.9000109.9
294A42Very low41.6Very low91 Ų91134.9 Ų134.975%0.75280%0.798SS**PPolyproline II helixtrans-60.2154.7-178.600000114
295P52.3Low41.7Very low123 Ų123135 Ų13580%0.79981%0.807SS**PPolyproline II helixtrans-83.6145.7-178.232.6-33.5000113.1
296P47.2Very low41.9Very low118 Ų118130.1 Ų130.177%0.76681%0.805SS**PPolyproline II helixtrans-83.1159.3160.432.6-31000112
297P43.8Very low42.2Very low123 Ų123132.1 Ų132.180%0.79981%0.811SS**PPolyproline II helixtrans-80.6147.6-163.431.1-34.9000115.4
298T38.5Very low41.7Very low132 Ų132131.6 Ų131.681%0.8181%0.81SS**  trans-10.9127.4156.551.50000118.6
299S34Very low41.3Very low112 Ų112129.5 Ų129.578%0.78381%0.808SS**  -179.6120.1114.9-130.30000111
300C34.3Very low41.1Very low131 Ų131127.4 Ų127.489%0.88581%0.805SS**  trans-176.2108.5146.9-100.30000109.1
301P46.3Very low41.1Very low109 Ų109130.5 Ų130.571%0.70880%0.804SS**  trans-99.1101.717833.4-23.4000110
302Q46.1Very low40.6Very low187 Ų187135 Ų13587%0.87481%0.813SS**  trans167.296.4143.9-119.5126.2-13.700110.9
303C38.1Very low40.2Very low129 Ų129131.2 Ų131.287%0.87279%0.794SS**  trans-154.4135.2151.9-83.50000109.2
304P48.3Very low40.3Very low119 Ų119130.4 Ų130.477%0.77380%0.796SS**PPolyproline II helixtrans-78.5166.4177.733.1-33.4000112.4
305P40.3Very low40.1Very low133 Ų133130.1 Ų130.186%0.86479%0.793SS**PPolyproline II helixtrans-82.1126.9-154.631.7-32.6000112.7
306S36.3Very low39.6Very low117 Ų117130 Ų13082%0.81879%0.792SS**PPolyproline II helixtrans-96.2120.5162-171.70000108.6S308S306-S308 PolarHBondContact O-N 3.47Å; S306-S308 VanDerWaalsContact O-N 3.15Å
307N43.9Very low39.3Very low169 Ų169133.6 Ų133.690%0.90480%0.799SS**  trans-59.1110.2-178.7-121-6.8000110.6
308S34.9Very low38.8Very low110 Ų110134.6 Ų134.677%0.76980%0.803SS**  trans-144.496.6157.9-171.90000108.8S306 A310S306-S308 PolarHBondContact O-N 3.47Å; S306-S308 VanDerWaalsContact O-N 3.15Å; S308-A310 PolarHBondContact O-N 3.38Å; S308-A310 VanDerWaalsContact O-N 3.16Å
309S37.6Very low39.1Very low119 Ų119140.8 Ų140.883%0.83281%0.811SS**  trans-75.596171.3-172.10000108.5
310A36Very low38.9Very low89 Ų89138.8 Ų138.874%0.73681%0.809SS**  trans-129.463.4160.900000108.3S308S308-A310 PolarHBondContact O-N 3.38Å; S308-A310 VanDerWaalsContact O-N 3.16Å
311Y37.8Very low39.2Very low200 Ų200138.7 Ų138.778%0.78481%0.807SS**  trans-108.896.5165.1-176.1-99.6000107.6G313Y311-G313 VanDerWaalsContact CE1-CA 3.41Å; Y311-G313 PolarHBondContact O-N 2.66Å
312W34.2Very low39.4Very low245 Ų245140 Ų14093%0.92882%0.815SS**  trans-85.491.3158.3-76.9111.9000107.2
313G33.8Very low39.3Very low35 Ų35134.3 Ų134.336%0.36181%0.806SS.*  trans-69.1126.2162.700000109.1Y311 A315Y311-G313 VanDerWaalsContact CE1-CA 3.41Å; Y311-G313 PolarHBondContact O-N 2.66Å; G313-A315 PolarHBondContact O-N 3.39Å
314V41.6Very low39.8Very low148 Ų148135.5 Ų135.590%0.89780%0.803SS**  trans-78.6109.9166-179.70000106.9
315A36.2Very low39.4Very low84 Ų84137.9 Ų137.969%0.69481%0.809SS**  trans-98.2147.5163.600000109.3G313G313-A315 PolarHBondContact O-N 3.39Å
316P41.7Very low39.9Very low120 Ų120141.6 Ų141.678%0.77981%0.806SS**  trans-80.5160.7-174.533.9-34.5000112.6
317E42.3Very low40.6Very low194 Ų194141.1 Ų141.191%0.90779%0.794SS**  trans-36.8135.1-175.5-65.8-168.5118.600116.5
318T33.5Very low41.1Very low144 Ų144138.7 Ų138.788%0.88378%0.78SS**  trans-143.1139.3151.99.90000110.4
319R43.7Very low42Very low262 Ų262138.9 Ų138.999%0.98977%0.773SS**  trans-58.7137.8-171.6-66.3167.1166153.4-5.3114
320G30.8Very low43Very low71 Ų71136 Ų13673%0.73276%0.757SS**  trans-176.2157.5169.900000113.1
321P40.6Very low44Very low129 Ų129136.5 Ų136.584%0.83875%0.746SS**  trans-84.2167.9-13834.9-37.2000117
322P49Very low44.9Very low136 Ų136133.1 Ų133.188%0.88374%0.736SS**  trans-89.3128.5-166.535.1-29.9000111.9
323G44.8Very low46.1Very low67 Ų67129.5 Ų129.569%0.69173%0.729SS**  trans-176.4132.6168.400000111.2
324L47.9Very low47.2Very low155 Ų155131 Ų13181%0.81274%0.744SS**  trans88.554.8175.4-48.8173.6000115.9W326L324-W326 PolarHBondContact O-N 3.17Å
325L41.5Very low48Very low169 Ų169125.6 Ų125.689%0.88571%0.712SS**  trans-73.6109.6141-174.870.3000106.2D327L325-D327 PolarHBondContact O-N 3.5Å
326W49.5Very low49.4Very low210 Ų210124.8 Ų124.880%0.79570%0.699SS**  trans-56.3114.2174.8-66.884.7000108.7L324 L328L324-W326 PolarHBondContact O-N 3.17Å; W326-L328 VanDerWaalsContact C-N 3.34Å; W326-L328 PolarHBondContact O-N 3.08Å
327D50.9Low50.3Low108 Ų108125.1 Ų125.158%0.57870%0.701SS**  trans-71.592.9179.4-173.85.8000108.9L325 D329 A330L325-D327 PolarHBondContact O-N 3.5Å; D327-D329 PolarHBondContact O-N 2.66Å; D327-D329 WeakPolarHBondContact OD1-CB 3.46Å; D327-D329 PolarHBondContact OD1-N 3.03Å; D327-A330 HydrophobicContact CB-CB 4.4Å; D327-A330 PolarHBondContact O-N 3.42Å
328L54.6Low51.2Low118 Ų118123.4 Ų123.462%0.61870%0.699SS**Hα-helixtrans-62.5-25.1180-69.2170.5000111.4W326 A330 L331 F332W326-L328 VanDerWaalsContact C-N 3.34Å; W326-L328 PolarHBondContact O-N 3.08Å; L328-A330 VanDerWaalsContact C-N 3.35Å; L328-L331 PolarHBondContact O-N 3.16Å; L328-F332 WeakPolarHBondContact O-CD2 3.38Å
329D54.8Low52.8Low113 Ų113122.6 Ų122.660%0.60468%0.683SS**Hα-helixtrans-69.6-32178.6-95-52.3000112.2D327 L331 F332 Q333D327-D329 PolarHBondContact O-N 2.66Å; D327-D329 WeakPolarHBondContact OD1-CB 3.46Å; D327-D329 PolarHBondContact OD1-N 3.03Å; D329-L331 VanDerWaalsContact C-N 3.26Å; D329-L331 PolarHBondContact O-N 3.34Å; D329-F332 PolarHBondContact O-N 3.39Å; D329-Q333 PolarHBondContact O-N 3.03Å
330A57Low54.1Low60 Ų60113.3 Ų113.350%0.49666%0.658SS.*Hα-helixtrans-66.7-26.8176.600000113D327 L328D327-A330 HydrophobicContact CB-CB 4.4Å; D327-A330 PolarHBondContact O-N 3.42Å; L328-A330 VanDerWaalsContact C-N 3.35Å
331L57.9Low55.8Low98 Ų98113.7 Ų113.751%0.51364%0.642SS.*Hα-helixtrans-74.5-25.1176-85.3160.3000113L328 D329L328-L331 PolarHBondContact O-N 3.16Å; D329-L331 VanDerWaalsContact C-N 3.26Å; D329-L331 PolarHBondContact O-N 3.34Å
332F55.9Low57.1Low130 Ų130114.9 Ų114.957%0.5763%0.631SS**Hα-helixtrans-85.6-19.5179.9-73.9-73.5000113.6L328 D329 G334 V335 I341L328-F332 WeakPolarHBondContact O-CD2 3.38Å; D329-F332 PolarHBondContact O-N 3.39Å; F332-G334 VanDerWaalsContact C-N 3.27Å; F332-G334 PolarHBondContact O-N 2.87Å; F332-V335 PolarHBondContact O-N 2.62Å; F332-I341 HydrophobicContact CD1-CD1 3.97Å; F332-I341 HydrophobicContact CE1-CD1 3.7Å; F332-I341 HydrophobicContact CZ-CD1 4.16Å
333Q59.9Low57.9Low168 Ų168112.5 Ų112.579%0.78561%0.611SS**THydrogen-bonded Turntrans-73.3-16.3-179.2-68.1-174.224.100114.1D329D329-Q333 PolarHBondContact O-N 3.03Å
334G58.1Low58.9Low66 Ų66111.9 Ų111.968%0.6859%0.594SS**THydrogen-bonded Turntrans-90.6-2177.200000115.1F332F332-G334 VanDerWaalsContact C-N 3.27Å; F332-G334 PolarHBondContact O-N 2.87Å
335V57.9Low59.6Low36 Ų36112.4 Ų112.422%0.21859%0.585CS.*SBendtrans-98.6122.6-171.6-171.80000110.4F332 K339 I341 V344F332-V335 PolarHBondContact O-N 2.62Å; V335-K339 WeakPolarHBondContact CG1-O 3.17Å; V335-I341 HydrophobicContact CG2-CD1 4.28Å; V335-I341 HydrophobicContact CG2-CG1 3.9Å; V335-V344 HydrophobicContact CG1-CG2 4.3Å
336P64.4Low60.8Low66 Ų66109 Ų10943%0.42957%0.571SS.*  trans-60.6147.8176.8-17.428.3000111.1N338 K339P336-N338 PolarHBondContact O-N 2.7Å; P336-K339 PolarHBondContact O-N 3.39Å; P336-K339 VanDerWaalsContact O-N 3.08Å
337P61.1Low61.3Low127 Ų127102.3 Ų102.383%0.82556%0.556SS**THydrogen-bonded Turntrans-63.70.8-167.122.5-33.5000116.4
338N62.1Low61.4Low159 Ų159102.9 Ų102.985%0.8556%0.555SS**THydrogen-bonded Turntrans-130.617.5-179.3-64.7-47.6000113.9P336P336-N338 PolarHBondContact O-N 2.7Å
339K66.6Low61.2Low127 Ų127102.2 Ų102.255%0.55256%0.558SS**  trans-127.1144.1178-65.7-167.6177.3-171.40111.3V335 P336 V344V335-K339 WeakPolarHBondContact CG1-O 3.17Å; P336-K339 PolarHBondContact O-N 3.39Å; P336-K339 VanDerWaalsContact O-N 3.08Å; K339-V344 HydrophobicContact CB-CG2 4.3Å
340S70.9Confident60.9Low67 Ų67108 Ų10847%0.46957%0.572SS.*  trans-82152.2171.6-179.40000110.3Y342 D343 V344S340-Y342 PolarHBondContact O-N 2.7Å; S340-Y342 VanDerWaalsContact O-N 3.09Å; S340-D343 VanDerWaalsContact CB-OD2 3.3Å; S340-D343 WeakPolarHBondContact CB-OD2 3.05Å; S340-D343 PolarHBondContact N-OD2 3.07Å; S340-D343 VanDerWaalsContact N-OD2 3.14Å; S340-D343 WeakPolarHBondContact O-CB 3.42Å; S340-D343 PolarHBondContact O-N 2.74Å; S340-V344 PolarHBondContact O-N 2.95Å
341I65.5Low60.5Low78 Ų78111.4 Ų111.440%0.458%0.582SS.*Hα-helixtrans-53-33.2174.6-119.9153.6000111.6F332 V335 V344 W345F332-I341 HydrophobicContact CD1-CD1 3.97Å; F332-I341 HydrophobicContact CE1-CD1 3.7Å; F332-I341 HydrophobicContact CZ-CD1 4.16Å; V335-I341 HydrophobicContact CG2-CD1 4.28Å; V335-I341 HydrophobicContact CG2-CG1 3.9Å; I341-V344 PolarHBondContact O-N 3.06Å; I341-W345 WeakPolarHBondContact O-CB 3.29Å; I341-W345 PolarHBondContact O-N 3.17Å
342Y68.1Low60.1Low154 Ų154113.8 Ų113.860%0.60459%0.594SS**Hα-helixtrans-68.3-37.7178.8-148.7-92.6000111.9S340 V344 W345 V346S340-Y342 PolarHBondContact O-N 2.7Å; S340-Y342 VanDerWaalsContact O-N 3.09Å; Y342-V344 VanDerWaalsContact C-N 3.35Å; Y342-W345 PolarHBondContact O-N 3.42Å; Y342-V346 HydrophobicContact CD1-CG2 4.06Å; Y342-V346 HydrophobicContact CE1-CG2 4.06Å; Y342-V346 WeakPolarHBondContact O-CB 3.09Å; Y342-V346 VanDerWaalsContact O-CG2 3.24Å; Y342-V346 WeakPolarHBondContact O-CG2 3.12Å; Y342-V346 PolarHBondContact O-N 2.97Å; Y342-V346 VanDerWaalsContact O-N 3.09Å
343D66.8Low59.4Low87 Ų87111.6 Ų111.647%0.46560%0.6SS.*Hα-helixtrans-69.8-34.7178.4-59.8-46.3000111.6S340 S347S340-D343 VanDerWaalsContact CB-OD2 3.3Å; S340-D343 WeakPolarHBondContact CB-OD2 3.05Å; S340-D343 PolarHBondContact N-OD2 3.07Å; S340-D343 VanDerWaalsContact N-OD2 3.14Å; S340-D343 WeakPolarHBondContact O-CB 3.42Å; S340-D343 PolarHBondContact O-N 2.74Å; D343-S347 WeakPolarHBondContact O-CB 3.21Å; D343-S347 PolarHBondContact O-N 2.7Å; D343-S347 PolarHBondContact O-OG 3.15Å
344V65.8Low58.6Low53 Ų53107.8 Ų107.832%0.32160%0.597SS.*Hα-helixtrans-69.7-44.6176.51780000110.6V335 K339 S340 I341 Y342 V346 S347 H348V335-V344 HydrophobicContact CG1-CG2 4.3Å; K339-V344 HydrophobicContact CB-CG2 4.3Å; S340-V344 PolarHBondContact O-N 2.95Å; I341-V344 PolarHBondContact O-N 3.06Å; Y342-V344 VanDerWaalsContact C-N 3.35Å; V344-V346 PolarHBondContact O-N 2.72Å; V344-S347 PolarHBondContact O-N 2.8Å; V344-H348 PolarHBondContact O-N 2.75Å
345W63.2Low57.8Low166 Ų166110.6 Ų110.663%0.62960%0.603SS**Hα-helixtrans-66-36.5-179.4-167.769.2000113.3I341 Y342I341-W345 WeakPolarHBondContact O-CB 3.29Å; I341-W345 PolarHBondContact O-N 3.17Å; Y342-W345 PolarHBondContact O-N 3.42Å
346V66.4Low56.9Low97 Ų97112 Ų11259%0.58863%0.625SS**Hα-helixtrans-75.2-28178.5171.60000112.3Y342 V344Y342-V346 HydrophobicContact CD1-CG2 4.06Å; Y342-V346 HydrophobicContact CE1-CG2 4.06Å; Y342-V346 WeakPolarHBondContact O-CB 3.09Å; Y342-V346 VanDerWaalsContact O-CG2 3.24Å; Y342-V346 WeakPolarHBondContact O-CG2 3.12Å; Y342-V346 PolarHBondContact O-N 2.97Å; Y342-V346 VanDerWaalsContact O-N 3.09Å; V344-V346 PolarHBondContact O-N 2.72Å
347S60.4Low55.9Low70 Ų70114.6 Ų114.649%0.4964%0.642SS.*Hα-helixtrans-87.5-33.5-173.9-55.70000113.8D343 V344D343-S347 WeakPolarHBondContact O-CB 3.21Å; D343-S347 PolarHBondContact O-N 2.7Å; D343-S347 PolarHBondContact O-OG 3.15Å; V344-S347 PolarHBondContact O-N 2.8Å
348H52.9Low55Low120 Ų120112 Ų11256%0.55664%0.638SS**  trans-144.576.9-176.5-58.986.2000111.5V344 R350 D351V344-H348 PolarHBondContact O-N 2.75Å; H348-R350 PolarHBondContact O-N 2.98Å; H348-D351 HydrophobicContact CB-CB 4.3Å; H348-D351 PolarHBondContact O-N 3.21Å
349P49.1Very low54.3Low105 Ų105115.6 Ų115.668%0.68264%0.64SS**THydrogen-bonded Turntrans-67.5-0.1-175.525.3-33.2000114.9
350R50.1Low52.9Low235 Ų235117.6 Ų117.689%0.88766%0.656SS**THydrogen-bonded Turntrans-118.9-0.7-179.5-76.4-154.5175.8-174.40.5116.5H348H348-R350 PolarHBondContact O-N 2.98Å
351D47.2Very low51.5Low131 Ų131123 Ų12370%0.70168%0.679SS**  trans-91.410-179.6-87-25.7000114.6H348 A353H348-D351 HydrophobicContact CB-CB 4.3Å; H348-D351 PolarHBondContact O-N 3.21Å; D351-A353 PolarHBondContact O-N 3Å
352L49.7Very low50.4Low147 Ų147123.7 Ų123.777%0.7769%0.69SS**  trans-88.459.9165.3-69.6171.4000110.4
353A42.3Very low49.1Very low85 Ų85127.8 Ų127.870%0.70271%0.705SS**  trans-96.7106.2158.200000107.1D351D351-A353 PolarHBondContact O-N 3Å
354A42.3Very low47.5Very low87 Ų87130.1 Ų130.172%0.71973%0.726SS**  trans-55.4145.7171.800000110.4G356A354-G356 PolarHBondContact O-N 3.24Å
355P41.8Very low46Very low126 Ų126133.2 Ų133.282%0.81875%0.75SS**  trans-68.5106.4167.829.3-30.2000107.5
356G38.8Very low44.8Very low65 Ų65137.2 Ų137.267%0.6778%0.783SS**  trans-60.7132.9170.200000109.5A354 G358A354-G356 PolarHBondContact O-N 3.24Å; G356-G358 PolarHBondContact O-N 3.13Å
357P42.5Very low43.7Very low120 Ų120139.3 Ų139.378%0.77979%0.792SS**  trans-63.7121175.623.1-29.7000109.6W359P357-W359 VanDerWaalsContact C-N 3.31Å; P357-W359 PolarHBondContact O-N 3.37Å
358G42.3Very low42.8Very low72 Ų72142.9 Ų142.974%0.74281%0.808SS**SBendtrans-7181.6178.300000111.8G356G356-G358 PolarHBondContact O-N 3.13Å
359W47.8Very low42.3Very low236 Ų236144.2 Ų144.289%0.89482%0.822SS**  trans-149.191.6161.4-68.780.4000107P357P357-W359 VanDerWaalsContact C-N 3.31Å; P357-W359 PolarHBondContact O-N 3.37Å
360L36.3Very low41.9Very low169 Ų169146.5 Ų146.589%0.88583%0.831SS**  trans179.564.4154.3-94.6170.7000108.6
361L42.3Very low41.4Very low181 Ų181140.9 Ų140.995%0.94883%0.827SS**  trans-98.489.5150.1-80.3173.1000106.9
362S42.7Very low41Very low92 Ų92141.6 Ų141.664%0.64384%0.835SS**  trans-170133.8151.1-141.20000108.6
363W40.2Very low40.3Very low240 Ų240141.2 Ų141.291%0.90984%0.84SS**  trans92.580.3172-60.826.3000115.6
364C32.7Very low40.2Very low135 Ų135145.5 Ų145.591%0.91285%0.851SS**  -172.779.6120.3-98.40000108.9
365S35.9Very low40Very low118 Ų118150.4 Ų150.483%0.82586%0.862SS**  trans-112.8105.2146.4-93.70000105.8
366L36.9Very low39.9Very low251 Ų251152.6 Ų152.6100%1.31487%0.866SS**  trans-163.40132.3-126.588.5000108.9

Retrieved 366 of 366 residues in 74.4 ms (Link to these results)