A0A3Q0KSH2_SCHMA Loading...

Putative myelin transcription factor 1, myt1

AlphaFold DB , UniProt , Accession A0A3Q0KSH2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 759 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
1M38.6Very low46.2Very low213 Ų213149.8 Ų149.8100%1.04973%0.727SS**  0-610-71.3-50.3179.600114.2I3 F4M1-I3 PolarHBondContact O-N 2.91Å; M1-F4 PolarHBondContact O-N 3.5Å
2V43.5Very low47.8Very low132 Ų132145.1 Ų145.180%0.871%0.707SS**G310 helixtrans-46.7-36.8-170.5-176.10000115.6F4V2-F4 VanDerWaalsContact C-N 3.34Å; V2-F4 PolarHBondContact O-N 3.05Å
3I43.7Very low49.2Very low162 Ų162146.2 Ų146.283%0.83171%0.706SS**G310 helixtrans-67.2-28.4-176.2-62.2174000113.4M1 V5M1-I3 PolarHBondContact O-N 2.91Å; I3-V5 VanDerWaalsContact C-N 3.33Å; I3-V5 PolarHBondContact O-N 2.62Å
4F38.5Very low50.5Low186 Ų186148.3 Ų148.382%0.81671%0.705SS**G310 helixtrans-78.4-15.7-174.5-128.7-93.4000114M1 V2 K6M1-F4 PolarHBondContact O-N 3.5Å; V2-F4 VanDerWaalsContact C-N 3.34Å; V2-F4 PolarHBondContact O-N 3.05Å; F4-K6 VanDerWaalsContact C-N 3.32Å; F4-K6 PolarHBondContact O-N 3.06Å
5V47.9Very low52Low86 Ų86144.9 Ų144.952%0.52169%0.692SS.*G310 helixtrans-69.4-29.4-171.6-176.50000112.3I3 R7I3-V5 VanDerWaalsContact C-N 3.33Å; I3-V5 PolarHBondContact O-N 2.62Å; V5-R7 PolarHBondContact O-N 2.79Å
6K42.3Very low53.6Low197 Ų197141.3 Ų141.386%0.85768%0.677SS**G310 helixtrans-68.9-3.7-167.4-121.4-178.2-176.4-178.20116.5F4F4-K6 VanDerWaalsContact C-N 3.32Å; F4-K6 PolarHBondContact O-N 3.06Å
7R46.6Very low54.9Low232 Ų232141.1 Ų141.188%0.87567%0.673SS**G310 helixtrans-116.7-15.3-170.2-159.9164.5179.1138.3-2.5115.4V5V5-R7 PolarHBondContact O-N 2.79Å
8N43Very low56.2Low110 Ų110135.9 Ų135.959%0.58865%0.654SS**  trans-126.336.7-172.1-86.5-2.4000114.1Y10 S11 L12N8-Y10 PolarHBondContact O-N 2.83Å; N8-Y10 VanDerWaalsContact O-N 3.11Å; N8-S11 PolarHBondContact O-N 2.81Å; N8-L12 PolarHBondContact O-N 3.25Å
9N51.8Low57.5Low98 Ų98133.6 Ų133.652%0.52465%0.645SS.*Hα-helixtrans-49.9-39.1-179.7-74.1-7.8000113.5S11 L12 F13N9-S11 PolarHBondContact O-N 2.94Å; N9-L12 PolarHBondContact O-N 2.89Å; N9-F13 WeakPolarHBondContact O-CB 3.47Å; N9-F13 PolarHBondContact O-N 3.36Å
10Y52.8Low58.8Low159 Ų159134.5 Ų134.562%0.62465%0.645SS**Hα-helixtrans-59.9-42177.9-85.7-82.5000113.7N8 F13 Y14 N708N8-Y10 PolarHBondContact O-N 2.83Å; N8-Y10 VanDerWaalsContact O-N 3.11Å; Y10-F13 PolarHBondContact O-N 3.5Å; Y10-Y14 PolarHBondContact O-N 2.96Å; Y10-N708 PolarHBondContact OH-O 3.42Å
11S59.3Low60Low73 Ų73132.3 Ų132.351%0.5164%0.637SS.*Hα-helixtrans-67.4-43.3179.6-176.30000111N8 N9 F13 Y14 L15N8-S11 PolarHBondContact O-N 2.81Å; N9-S11 PolarHBondContact O-N 2.94Å; S11-F13 PolarHBondContact O-N 2.74Å; S11-Y14 PolarHBondContact O-N 3.46Å; S11-L15 WeakPolarHBondContact O-CB 2.98Å; S11-L15 PolarHBondContact O-N 3.25Å
12L65.7Low62.1Low93 Ų93126.8 Ų126.849%0.48761%0.611SS.*Hα-helixtrans-63.7-40.4176.8-169.268.2000111.8N8 N9 L15 I16N8-L12 PolarHBondContact O-N 3.25Å; N9-L12 PolarHBondContact O-N 2.89Å; L12-L15 PolarHBondContact O-N 3.2Å; L12-I16 HydrophobicContact CD1-CD1 4.42Å; L12-I16 HydrophobicContact CD2-CD1 4.5Å; L12-I16 HydrophobicContact CG-CD1 3.93Å; L12-I16 WeakPolarHBondContact O-CB 3.19Å; L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.4Å; L12-I16 PolarHBondContact O-N 3.5Å
13F65.9Low64Low160 Ų160126 Ų12670%0.70260%0.601SS**Hα-helixtrans-65-42.3177.5-135.7-88.7000112.1N9 Y10 S11 F17N9-F13 WeakPolarHBondContact O-CB 3.47Å; N9-F13 PolarHBondContact O-N 3.36Å; Y10-F13 PolarHBondContact O-N 3.5Å; S11-F13 PolarHBondContact O-N 2.74Å; F13-F17 WeakPolarHBondContact O-CB 3.4Å; F13-F17 PolarHBondContact O-N 2.94Å
14Y67.8Low65.8Low175 Ų175123.8 Ų123.869%0.68659%0.586SS**Hα-helixtrans-65.4-38.7176.2-130.7-85.3000112Y10 S11 F17 S18Y10-Y14 PolarHBondContact O-N 2.96Å; S11-Y14 PolarHBondContact O-N 3.46Å; Y14-F17 PolarHBondContact O-N 3.5Å; Y14-S18 WeakPolarHBondContact O-CB 3.39Å; Y14-S18 PolarHBondContact O-N 2.92Å; Y14-S18 PolarHBondContact O-OG 2.99Å
15L73.3Confident67.8Low98 Ų98119.3 Ų119.351%0.51357%0.57SS.*Hα-helixtrans-69.7-41.4178.8-157157.7000111.3S11 L12 L19S11-L15 WeakPolarHBondContact O-CB 2.98Å; S11-L15 PolarHBondContact O-N 3.25Å; L12-L15 PolarHBondContact O-N 3.2Å; L15-L19 HydrophobicContact CD2-CD1 3.61Å; L15-L19 HydrophobicContact CD2-CG 4.13Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 2.83Å
16I77.4Confident69.1Low87 Ų87121.5 Ų121.545%0.44657%0.572SS.*Hα-helixtrans-64.5-41.7173-69.5167.6000111.5L12 L19 K20L12-I16 HydrophobicContact CD1-CD1 4.42Å; L12-I16 HydrophobicContact CD2-CD1 4.5Å; L12-I16 HydrophobicContact CG-CD1 3.93Å; L12-I16 WeakPolarHBondContact O-CB 3.19Å; L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.4Å; L12-I16 PolarHBondContact O-N 3.5Å; I16-L19 PolarHBondContact O-N 3.12Å; I16-K20 PolarHBondContact O-N 3.22Å
17F75Confident70.6Confident138 Ų138117.9 Ų117.961%0.60556%0.559SS**Hα-helixtrans-66.4-43.8178-168.5-92.3000111.6F13 Y14 K20 L21F13-F17 WeakPolarHBondContact O-CB 3.4Å; F13-F17 PolarHBondContact O-N 2.94Å; Y14-F17 PolarHBondContact O-N 3.5Å; F17-K20 PolarHBondContact O-N 3.23Å; F17-L21 WeakPolarHBondContact O-CB 3.37Å; F17-L21 PolarHBondContact O-N 2.96Å
18S77.8Confident71.6Confident48 Ų48114.6 Ų114.634%0.33655%0.546SS..Hα-helixtrans-60-44.8172.8-66.40000112.2Y14 K20 L21 I22Y14-S18 WeakPolarHBondContact O-CB 3.39Å; Y14-S18 PolarHBondContact O-N 2.92Å; Y14-S18 PolarHBondContact O-OG 2.99Å; S18-K20 PolarHBondContact O-N 3.16Å; S18-L21 PolarHBondContact O-N 3.1Å; S18-I22 WeakPolarHBondContact O-CB 3.44Å; S18-I22 WeakPolarHBondContact O-CD1 3.47Å; S18-I22 VanDerWaalsContact O-CG1 3.23Å; S18-I22 WeakPolarHBondContact O-CG1 3.4Å; S18-I22 PolarHBondContact O-N 2.93Å
19L82.4Confident72.7Confident91 Ų91114.5 Ų114.548%0.47654%0.544SS..Hα-helixtrans-61.5-42.8175.8-78.8171.9000112.2L15 I16 I22 L23L15-L19 HydrophobicContact CD2-CD1 3.61Å; L15-L19 HydrophobicContact CD2-CG 4.13Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 2.83Å; I16-L19 PolarHBondContact O-N 3.12Å; L19-I22 PolarHBondContact O-N 2.92Å; L19-L23 WeakPolarHBondContact O-CB 3.39Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 3.48Å
20K82.3Confident73.2Confident152 Ų152113.7 Ų113.766%0.66154%0.539SS*.Hα-helixtrans-63.5-40.1174.5-85.1-166.4167.4-168.60112.7I16 F17 S18 F24I16-K20 PolarHBondContact O-N 3.22Å; F17-K20 PolarHBondContact O-N 3.23Å; S18-K20 PolarHBondContact O-N 3.16Å; K20-F24 WeakPolarHBondContact O-CB 3.29Å; K20-F24 PolarHBondContact O-N 3.39Å
21L83.5Confident73Confident89 Ų89110.4 Ų110.447%0.46653%0.533SS..Hα-helixtrans-67.2-41.3177.1-174.762.4000111.6F17 S18 F24 L25F17-L21 WeakPolarHBondContact O-CB 3.37Å; F17-L21 PolarHBondContact O-N 2.96Å; S18-L21 PolarHBondContact O-N 3.1Å; L21-F24 PolarHBondContact O-N 3.35Å; L21-L25 HydrophobicContact CG-CD1 4.24Å; L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 VanDerWaalsContact O-CG 3.25Å; L21-L25 WeakPolarHBondContact O-CG 3.28Å; L21-L25 PolarHBondContact O-N 2.87Å
22I84.5Confident72.4Confident97 Ų97110.4 Ų110.450%0.49753%0.53SS..Hα-helixtrans-62.8-47.4175.1-70163.4000110.5S18 L19 L25 F26S18-I22 WeakPolarHBondContact O-CB 3.44Å; S18-I22 WeakPolarHBondContact O-CD1 3.47Å; S18-I22 VanDerWaalsContact O-CG1 3.23Å; S18-I22 WeakPolarHBondContact O-CG1 3.4Å; S18-I22 PolarHBondContact O-N 2.93Å; L19-I22 PolarHBondContact O-N 2.92Å; I22-L25 PolarHBondContact O-N 3.13Å; I22-F26 WeakPolarHBondContact O-CB 3.18Å; I22-F26 PolarHBondContact O-N 3.4Å
23L82.7Confident71.3Confident114 Ų114109.6 Ų109.660%0.59753%0.526SS*.Hα-helixtrans-60.5-46.1177.3-75.8167.4000112.1L19 L25 F26 E27L19-L23 WeakPolarHBondContact O-CB 3.39Å; L19-L23 WeakPolarHBondContact O-CG 3.46Å; L19-L23 PolarHBondContact O-N 3.48Å; L23-L25 VanDerWaalsContact C-N 3.31Å; L23-L25 PolarHBondContact O-N 3.39Å; L23-F26 PolarHBondContact O-N 3.06Å; L23-F26 VanDerWaalsContact O-N 3.13Å; L23-E27 WeakPolarHBondContact O-CB 3.47Å; L23-E27 PolarHBondContact O-N 3.31Å
24F82.4Confident70.1Confident116 Ų116108.6 Ų108.651%0.50952%0.523SS..Hα-helixtrans-61.5-37176.6177.9-104.6000112.7K20 L21 R28K20-F24 WeakPolarHBondContact O-CB 3.29Å; K20-F24 PolarHBondContact O-N 3.39Å; L21-F24 PolarHBondContact O-N 3.35Å; F24-R28 VanDerWaalsContact O-CB 3.25Å; F24-R28 WeakPolarHBondContact O-CB 3.4Å; F24-R28 PolarHBondContact O-N 2.91Å
25L79.5Confident68.6Low92 Ų92106 Ų10648%0.48252%0.521SS..Hα-helixtrans-70-38.8173.2-70.9169.7000111.8L21 I22 L23 R28 M29L21-L25 HydrophobicContact CG-CD1 4.24Å; L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 VanDerWaalsContact O-CG 3.25Å; L21-L25 WeakPolarHBondContact O-CG 3.28Å; L21-L25 PolarHBondContact O-N 2.87Å; I22-L25 PolarHBondContact O-N 3.13Å; L23-L25 VanDerWaalsContact C-N 3.31Å; L23-L25 PolarHBondContact O-N 3.39Å; L25-R28 PolarHBondContact O-N 3Å; L25-M29 WeakPolarHBondContact O-CB 3.14Å; L25-M29 WeakPolarHBondContact O-CG 3.25Å; L25-M29 PolarHBondContact O-N 3.24Å
26F75.1Confident66.9Low132 Ų132106 Ų10658%0.57952%0.521SS*.Hα-helixtrans-67.2-42.8178.2-138.2-79.9000112.1I22 L23 M29 N30I22-F26 WeakPolarHBondContact O-CB 3.18Å; I22-F26 PolarHBondContact O-N 3.4Å; L23-F26 PolarHBondContact O-N 3.06Å; L23-F26 VanDerWaalsContact O-N 3.13Å; F26-M29 PolarHBondContact O-N 2.89Å; F26-N30 WeakPolarHBondContact O-CB 3.46Å; F26-N30 PolarHBondContact O-N 3Å
27E72.8Confident65Low122 Ų122107.1 Ų107.157%0.5753%0.528SS*.Hα-helixtrans-62.4-43174.1-173.4170.2-145.700110.9L23 N30 N31L23-E27 WeakPolarHBondContact O-CB 3.47Å; L23-E27 PolarHBondContact O-N 3.31Å; E27-N30 PolarHBondContact O-N 3.15Å; E27-N31 WeakPolarHBondContact O-CB 3.48Å; E27-N31 PolarHBondContact O-N 3.45Å; E27-N31 PolarHBondContact O-ND2 2.95Å
28R69.3Low63Low162 Ų162104 Ų10461%0.61152%0.523SS*.Hα-helixtrans-65.6-37.7175-168.7171.6-174.4152.43.1113.3F24 L25 T32F24-R28 VanDerWaalsContact O-CB 3.25Å; F24-R28 WeakPolarHBondContact O-CB 3.4Å; F24-R28 PolarHBondContact O-N 2.91Å; L25-R28 PolarHBondContact O-N 3Å; R28-T32 PolarHBondContact O-N 3.31Å; R28-T32 VanDerWaalsContact O-N 3.13Å; R28-T32 PolarHBondContact O-OG1 3.11Å
29M66.1Low61Low108 Ų108106.4 Ų106.453%0.53254%0.536SS..Hα-helixtrans-67.6-41.8174.7-70.4-88.3-68.300111.8L25 F26 N31 T32 N33L25-M29 WeakPolarHBondContact O-CB 3.14Å; L25-M29 WeakPolarHBondContact O-CG 3.25Å; L25-M29 PolarHBondContact O-N 3.24Å; F26-M29 PolarHBondContact O-N 2.89Å; M29-N31 VanDerWaalsContact C-N 3.32Å; M29-N31 PolarHBondContact O-N 3.29Å; M29-T32 WeakPolarHBondContact CA-OG1 3.36Å; M29-T32 PolarHBondContact O-N 3.49Å; M29-T32 PolarHBondContact O-OG1 2.77Å; M29-N33 PolarHBondContact O-N 3.26Å; M29-N33 PolarHBondContact O-ND2 3.34Å; M29-N33 PolarHBondContact O-OD1 3.42Å
30N61Low58.7Low82 Ų82107.1 Ų107.144%0.43954%0.54SS..Hα-helixtrans-64.8-38.1175.9-75-10.4000111.7F26 E27 N33 Q34F26-N30 WeakPolarHBondContact O-CB 3.46Å; F26-N30 PolarHBondContact O-N 3Å; E27-N30 PolarHBondContact O-N 3.15Å; N30-N33 PolarHBondContact O-N 3.05Å; N30-Q34 PolarHBondContact O-N 2.95Å; N30-Q34 VanDerWaalsContact O-N 3.16Å
31N49.4Very low56.4Low90 Ų90107.6 Ų107.648%0.48155%0.545SS..Hα-helixtrans-70.6-29.7177.3-68.3-11.5000113E27 M29E27-N31 WeakPolarHBondContact O-CB 3.48Å; E27-N31 PolarHBondContact O-N 3.45Å; E27-N31 PolarHBondContact O-ND2 2.95Å; M29-N31 VanDerWaalsContact C-N 3.32Å; M29-N31 PolarHBondContact O-N 3.29Å
32T46.9Very low54Low73 Ų73110.7 Ų110.745%0.44856%0.561SS.*Hα-helixtrans-69.8-40.5168.6440000111.9R28 M29 Q34 L35 D36R28-T32 PolarHBondContact O-N 3.31Å; R28-T32 VanDerWaalsContact O-N 3.13Å; R28-T32 PolarHBondContact O-OG1 3.11Å; M29-T32 WeakPolarHBondContact CA-OG1 3.36Å; M29-T32 PolarHBondContact O-N 3.49Å; M29-T32 PolarHBondContact O-OG1 2.77Å; T32-Q34 PolarHBondContact O-N 3.21Å; T32-L35 PolarHBondContact O-N 2.95Å; T32-D36 PolarHBondContact O-N 3.3Å
33N43Very low51.4Low75 Ų75111.3 Ų111.340%0.40157%0.569SS.*Hα-helixtrans-64.5-25.7179.4-63.1-7.4000113M29 N30 N37M29-N33 PolarHBondContact O-N 3.26Å; M29-N33 PolarHBondContact O-ND2 3.34Å; M29-N33 PolarHBondContact O-OD1 3.42Å; N30-N33 PolarHBondContact O-N 3.05Å; N33-N37 WeakPolarHBondContact O-CB 3.17Å; N33-N37 VanDerWaalsContact O-CG 3.23Å; N33-N37 PolarHBondContact O-N 3Å; N33-N37 VanDerWaalsContact O-N 3.09Å; N33-N37 PolarHBondContact O-ND2 3.37Å
34Q38.9Very low49Very low140 Ų140110.8 Ų110.865%0.65457%0.571SS**Hα-helixtrans-71.2-30.8172.8-75.9-168.9-5.800113.5N30 T32 S38N30-Q34 PolarHBondContact O-N 2.95Å; N30-Q34 VanDerWaalsContact O-N 3.16Å; T32-Q34 PolarHBondContact O-N 3.21Å; Q34-S38 PolarHBondContact O-N 3.46Å; Q34-S38 PolarHBondContact O-OG 3.32Å
35L38Very low46.5Very low120 Ų120111.7 Ų111.763%0.62858%0.581SS**Hα-helixtrans-67.7-51.9172.1-94.175.3000110T32 N37 S38 V39T32-L35 PolarHBondContact O-N 2.95Å; L35-N37 VanDerWaalsContact C-N 3.27Å; L35-N37 PolarHBondContact O-N 3.3Å; L35-S38 PolarHBondContact O-N 3.26Å; L35-S38 VanDerWaalsContact O-N 3.1Å; L35-S38 PolarHBondContact O-OG 3.35Å; L35-V39 PolarHBondContact O-N 3.33Å
36D36.4Very low44.2Very low98 Ų98117.6 Ų117.652%0.52460%0.603SS.*Hα-helixtrans-61.9-34-176.9-68.2-28.6000112.5T32 V39 N40T32-D36 PolarHBondContact O-N 3.3Å; D36-V39 PolarHBondContact O-N 3.42Å; D36-N40 PolarHBondContact O-ND2 3.28Å
37N37.3Very low41.9Very low110 Ų110120.1 Ų120.159%0.58862%0.617SS**Hα-helixtrans-68.8-35.2175.8-74.5-10.5000113.4N33 L35 V39 N40N33-N37 WeakPolarHBondContact O-CB 3.17Å; N33-N37 VanDerWaalsContact O-CG 3.23Å; N33-N37 PolarHBondContact O-N 3Å; N33-N37 VanDerWaalsContact O-N 3.09Å; N33-N37 PolarHBondContact O-ND2 3.37Å; L35-N37 VanDerWaalsContact C-N 3.27Å; L35-N37 PolarHBondContact O-N 3.3Å; N37-V39 PolarHBondContact O-N 3.31Å; N37-N40 PolarHBondContact O-N 3.47Å
38S34.3Very low39.9Very low73 Ų73122.9 Ų122.951%0.5163%0.63SS.*Hα-helixtrans-71.6-16.3179.461.90000114.1Q34 L35Q34-S38 PolarHBondContact O-N 3.46Å; Q34-S38 PolarHBondContact O-OG 3.32Å; L35-S38 PolarHBondContact O-N 3.26Å; L35-S38 VanDerWaalsContact O-N 3.1Å; L35-S38 PolarHBondContact O-OG 3.35Å
39V36.2Very low38.1Very low99 Ų99123.4 Ų123.460%0.664%0.643SS**Hα-helixtrans-83.5-27.7174.4177.90000112.2L35 D36 N37L35-V39 PolarHBondContact O-N 3.33Å; D36-V39 PolarHBondContact O-N 3.42Å; N37-V39 PolarHBondContact O-N 3.31Å
40N33.5Very low36.5Very low105 Ų105123.5 Ų123.556%0.56165%0.654SS**Hα-helixtrans-88-10.8-173.6-73.4-59.4000114.6D36 N37 T43D36-N40 PolarHBondContact O-ND2 3.28Å; N37-N40 PolarHBondContact O-N 3.47Å; N40-T43 PolarHBondContact O-OG1 3.24Å
41E33.7Very low35.4Very low162 Ų162125.2 Ų125.276%0.75767%0.67SS**THydrogen-bonded Turntrans-87.9-5.9-177.1-154.1163.3-145.700113.4
42L32.6Very low34.5Very low154 Ų154129.2 Ų129.281%0.80669%0.69SS**THydrogen-bonded Turntrans-96.5-2.7-178-88.1159.8000114.8
43T30.3Very low33.9Very low110 Ų110130.8 Ų130.868%0.67570%0.701SS**SBendtrans-112.615.7-164.953.70000115.5N40N40-T43 PolarHBondContact O-OG1 3.24Å
44T31.4Very low33.3Very low103 Ų103138.6 Ų138.663%0.63273%0.725SS**SBendtrans-113.7-3.1-169.448.40000115.9
45N31Very low33Very low136 Ų136138.5 Ų138.573%0.72773%0.734SS**SBendtrans-117.933.6-165.7-73.8-45.9000115.9
46F30.9Very low32.7Very low215 Ų215140 Ų14094%0.94374%0.742SS**  trans-146.777.5169.6-89.8-69.7000113.2
47E27.6Very low32.6Very low186 Ų186141.8 Ų141.887%0.86975%0.75SS**  trans-114.2166.1156.2-87.2-158.713000110.4
48Q29.6Very low32.6Very low180 Ų180142 Ų14284%0.84176%0.758SS**  trans68.894.4178.7-52.7-173.5000116.6
49I33.2Very low32.7Very low173 Ų173144.7 Ų144.789%0.88777%0.765SS**  -170.9154.9102.3-90155.2000109.2
50S32.7Very low32.7Very low110 Ų110147.4 Ų147.477%0.76978%0.776SS**  trans-98.1165-16142.50000116
51P36.3Very low32.8Very low117 Ų117145.3 Ų145.376%0.7678%0.779SS**  trans-110.1167-164.841.3-35.3000115.9
52I31.5Very low32.7Very low175 Ų175148.4 Ų148.490%0.89778%0.784SS**  trans-164.2158.5158.9-108.8149.8000111.6
53P33.2Very low32.9Very low105 Ų105148.8 Ų148.868%0.68279%0.787SS**  trans-134.1168.5-141.744.5-30.9000120.6
54R30.8Very low32.9Very low239 Ų239152.6 Ų152.690%0.90280%0.797SS**  trans45.4121.6143.8-72.2-175.7178.3-162.61.3123.2
55T33.3Very low33Very low138 Ų138154 Ų15485%0.84781%0.81SS**  trans-164.9161.2142.927.60000107.7
56L32.2Very low33.2Very low152 Ų152154.9 Ų154.980%0.79681%0.814SS**  cis-172.1145.9-42.1-126163.3000106.2
57L33.8Very low33.4Very low135 Ų135150.1 Ų150.171%0.70781%0.805SS**  trans-35.7168.1173.7-73.4164.8000118.5I59L57-I59 HydrophobicContact CD2-CG1 4.24Å
58P37.7Very low33.6Very low115 Ų115147 Ų14775%0.74780%0.799SS**  cis-135.5160.242.121.65.5000117.4
59I35.2Very low33.7Very low129 Ų129147.3 Ų147.366%0.66280%0.797SS**  74.5105.764.3-50.3164000115.9L57L57-I59 HydrophobicContact CD2-CG1 4.24Å
60D36.6Very low33.6Very low157 Ų157147.1 Ų147.184%0.8480%0.795SS**  trans170.2154.4131.5-101-31.2000110.2
61G35.5Very low33.3Very low60 Ų60146.9 Ų146.962%0.61979%0.792SS**  cis178.1131.8-1000000114
62R31.9Very low33.2Very low227 Ų227148.6 Ų148.686%0.85780%0.795SS**  trans55.6128.9156.7-42.2-178.3-166.6-163.82.8121.6
63N36.6Very low33.1Very low162 Ų162147.6 Ų147.687%0.86679%0.786SS**  -178.7151.298.7-89-34.6000112.2
64E31.2Very low33Very low190 Ų190152.2 Ų152.289%0.88879%0.791SS**  trans-118.6156-173.1-53.1171.3122.900111.9
65C33.6Very low33.1Very low133 Ų133148.2 Ų148.290%0.89978%0.783SS**  trans-168160.7138-106.10000114.3
66N35Very low32.9Very low154 Ų154148.5 Ų148.582%0.82478%0.779SS**  trans-92.7154.4-166.7-74.4-70.6000115.2
67P33.5Very low32.8Very low116 Ų116149.5 Ų149.575%0.75378%0.78SS**  trans-90.8136.6163.434.7-30.5000111.7
68T32.7Very low32.7Very low120 Ų120153.1 Ų153.174%0.73679%0.79SS**  trans-156.5124.3167.3-67.50000111.8
69K31.7Very low32.2Very low186 Ų186156.8 Ų156.881%0.80979%0.794SS**  trans45.2127161.6-64.9172.2-178.3175.70118.9
70M30.1Very low31.8Very low170 Ų170160.3 Ų160.384%0.83781%0.805SS**  -161154.2104.8-96.5-82.678.500109.9
71C26.8Very low31.5Very low104 Ų104158.6 Ų158.670%0.70380%0.8SS**  trans-110.6144.4162-60.60000107.3
72N34.5Very low30.9Very low153 Ų153161.2 Ų161.282%0.81880%0.804SS**  trans177.6170.1137.9-89.1-1.8000109.6
73E29.5Very low31Very low155 Ų155156.8 Ų156.872%0.72480%0.804SS**  trans-70.6157.5-177-51.2106.1136.100113
74Y30.8Very low30.5Very low201 Ų201153.1 Ų153.179%0.78879%0.792SS**  174.4138.6110.6-108-102.1000112.1
75H33.2Very low30.3Very low156 Ų156151.2 Ų151.272%0.72278%0.783SS**  trans36.8107.6156-80.9-108.3000121.9
76D29.5Very low30.1Very low144 Ų144155.1 Ų155.177%0.7779%0.785SS**  54.4151.6105.2-125.3-25.8000122.8
77Q29.3Very low29.7Very low172 Ų172152.9 Ų152.980%0.80477%0.772SS**  trans64.282.3172.7-55.3-171.920.800119.1
78K32.2Very low29.6Very low211 Ų211155.6 Ų155.692%0.91777%0.774SS**  -156.9142.9129.1-109.9148-169.7169.30113.5
79K26.5Very low29.4Very low192 Ų192154.9 Ų154.984%0.83577%0.766SS**  trans-52.4140.4176.4-55.7166.4176.7177.40111.4
80F27.2Very low29.5Very low203 Ų203153.1 Ų153.189%0.8977%0.765SS**  trans-158.2113.9135.9-103.3-68.1000112.8
81V29.7Very low29.4Very low122 Ų122150.6 Ų150.674%0.73976%0.755SS**  trans33.6116.8147.4-178.10000119.7
82T24.7Very low29.5Very low115 Ų115156.1 Ų156.171%0.70676%0.763SS**  trans-72.4132.1154.346.10000111.4S84T82-S84 PolarHBondContact O-N 3.14Å; T82-S84 VanDerWaalsContact O-N 3.07Å
83P32.9Very low29.1Very low133 Ų133158.8 Ų158.886%0.86476%0.763SS**  trans-79.386.3166.331.5-31000110.1
84S26.4Very low29.2Very low86 Ų86159.8 Ų159.860%0.60177%0.772SS**  trans-77.9146.3159.848.30000110.3T82T82-S84 PolarHBondContact O-N 3.14Å; T82-S84 VanDerWaalsContact O-N 3.07Å
85E27.4Very low29.2Very low150 Ų150157.2 Ų157.270%0.70177%0.77SS**  trans6395.3152.8-69.3176.6-178.100119.6I87E85-I87 HydrophobicContact CB-CD1 3.9Å; E85-I87 HydrophobicContact CB-CG1 3.98Å; E85-I87 HydrophobicContact CG-CD1 4.49Å; E85-I87 HydrophobicContact CG-CG1 4.47Å
86F28.9Very low28.8Very low214 Ų214156.3 Ų156.394%0.93977%0.771SS**  -117.1116.3125-78.7-99.6000104.8
87I27.3Very low28.7Very low107 Ų107156.5 Ų156.555%0.54977%0.772SS.*  cis61.685.439.7-50.2178.9000112.2E85E85-I87 HydrophobicContact CB-CD1 3.9Å; E85-I87 HydrophobicContact CB-CG1 3.98Å; E85-I87 HydrophobicContact CG-CD1 4.49Å; E85-I87 HydrophobicContact CG-CG1 4.47Å
88H31.2Very low29Very low173 Ų173157.5 Ų157.580%0.80178%0.777SS**  -145.9121.5117.3-134.6-83.2000112.2
89N28.4Very low28.8Very low105 Ų105156.6 Ų156.656%0.56177%0.773SS**  trans-6.3142.4164.8-51.9-14.3000118.3
90N32.8Very low29.1Very low150 Ų150154.5 Ų154.580%0.80277%0.771SS**  cis-142.8160.745.7-89.8-65.7000116.8
91N27.6Very low29.1Very low116 Ų116153.6 Ų153.662%0.6277%0.766SS**  trans-61.4163.3171.6-64.5-51.2000111.7
92Y30.9Very low29.2Very low220 Ų220154.5 Ų154.586%0.86377%0.766SS**  cis-146143.543.8-80-96.6000115.7
93Y25.7Very low29.5Very low209 Ų209155.5 Ų155.582%0.8277%0.767SS**  trans-76.7155154.9-78.1-99.4000110.8
94L30.9Very low29.3Very low176 Ų176155.7 Ų155.792%0.92176%0.76SS**  trans-146.1145.2145.7-114.5167000110.1
95I30.2Very low29.7Very low147 Ų147158 Ų15875%0.75477%0.766SS**  trans-106.2152.4-163.5-67.1172.3000110.8
96N26.4Very low29.9Very low138 Ų138156.8 Ų156.874%0.73876%0.764SS**  trans-71.9155.9-179.5-103.4-28.3000114.1
97N27.3Very low30Very low147 Ų147153.1 Ų153.179%0.78675%0.754SS**  trans75.9151.8172.2-41.3-63.5000114.5
98Q34.9Very low30.3Very low193 Ų193154.1 Ų154.190%0.90276%0.76SS**  cis-129.7-177.115.8-69179.8-2.300113.7
99K28.5Very low30.5Very low193 Ų193151 Ų15184%0.83975%0.753SS**  trans-86.3145.7-176.5-57.5168-177.4170.30112.7
100N31.3Very low30.9Very low147 Ų147151.6 Ų151.679%0.78676%0.756SS**  trans151.4113.9137.7-76.1-22.9000108.3
101K28.3Very low31.1Very low184 Ų184150.7 Ų150.780%0.875%0.751SS**  75.4107.453.2-164.2-158.9-177.5-174.50112.7
102I30.5Very low31.5Very low141 Ų141150.3 Ų150.372%0.72375%0.753SS**  trans146.2129.1146.7-78.4158.6000111.2
103N31.2Very low31.7Very low136 Ų136145.3 Ų145.373%0.72775%0.746SS**  trans42.7127.7160.2-64.7-5000121
104N29.8Very low32.3Very low137 Ų137142.3 Ų142.373%0.73374%0.739SS**  83.1139.152.3-866.3000114.7
105N33.5Very low32.6Very low136 Ų136139.3 Ų139.373%0.72772%0.724SS**  trans73.9144.8169.1-53.6-13.9000115.8
106N31.9Very low32.8Very low124 Ų124138.7 Ų138.766%0.66372%0.722SS**  cis-175.4167.9-27-105.6-8.9000106.9
107N32Very low33.2Very low136 Ų136139.4 Ų139.473%0.72773%0.725SS**  trans69158.6153.2-68.80.6000116.7
108I33.9Very low33.4Very low128 Ų128137.5 Ų137.566%0.65672%0.719SS**  cis-152.4136.3-7.8-120.6163.2000109.4
109T35.2Very low33.2Very low109 Ų109134.1 Ų134.167%0.66971%0.711SS**  trans39.6179.4151.878.60000120.6
110D35.8Very low33.6Very low116 Ų116134.5 Ų134.562%0.6271%0.713SS**  cis-157.1166.511.1-130.7-36.4000114.8
111N36.8Very low33.5Very low132 Ų132136.1 Ų136.171%0.70672%0.715SS**  trans65.1146157.8-63.9-37000119.5
112T36.2Very low33.5Very low108 Ų108131.9 Ų131.966%0.66371%0.709SS**  cis-162.2142.6-4.611.20000111.8
113T36Very low33.3Very low114 Ų114132.6 Ų132.670%0.69971%0.713SS**  trans58.5148.6149.855.50000120.9
114H37.1Very low33Very low146 Ų146133 Ų13368%0.67672%0.715SS**  cis-154.3147.52.1-120.4-51.3000111.3
115N38Very low32.8Very low114 Ų114131 Ų13161%0.6171%0.712SS**  trans62.4108.6148.9-58.8-14.5000119.1
116N34.4Very low32.5Very low134 Ų134133.7 Ų133.772%0.71772%0.717SS**  82.2142.885.8-68-21.1000112.8
117L33.9Very low32.3Very low152 Ų152136.2 Ų136.280%0.79672%0.724SS**  cis-162.6144.118.3-154.563.2000109.1
118V32.9Very low32.1Very low108 Ų108135.7 Ų135.766%0.65572%0.722SS**  cis-169.6147.9-2688.40000110
119V29.7Very low31.9Very low122 Ų122137.1 Ų137.174%0.73973%0.731SS**  trans69.6142.5158.4170.10000117.8
120K36.9Very low31.5Very low201 Ų201139.3 Ų139.387%0.87474%0.738SS**  cis-137145.821.6-148.8145-164.81740112.9
121Q30.9Very low31.3Very low180 Ų180140.1 Ų140.184%0.84175%0.748SS**  trans-113.9163.7-175.4-163.6-177.328.800111.2
122S27Very low31Very low96 Ų96143.7 Ų143.767%0.67176%0.757SS**  trans100.8146.3136-135.60000121
123L26Very low30.6Very low155 Ų155148.3 Ų148.381%0.81277%0.768SS**  trans97.9143.4152.4-67.3167.6000122.3
124L26.4Very low30.2Very low146 Ų146148.3 Ų148.376%0.76477%0.768SS**  trans7267.6165.1-91.664.3000120.4
125S24.4Very low30.2Very low94 Ų94146.3 Ų146.366%0.65776%0.762SS**  17.8140.4117.670.40000121.3
126K27.3Very low29.9Very low193 Ų193149.5 Ų149.584%0.83977%0.773SS**  trans69.1105.9158-58.1168-177.8174.40117.1
127Q27.5Very low29.8Very low176 Ų176151.8 Ų151.882%0.82278%0.777SS**  -173.1146.3110.9-102.7171.723.700114.1
128N28.6Very low29.9Very low126 Ų126148.3 Ų148.367%0.67476%0.762SS**  trans59.196.2153-57-14000120.5N130N128-N130 PolarHBondContact O-N 3.3Å
129D28.6Very low30.1Very low158 Ų158147.4 Ų147.485%0.84575%0.753SS**  trans-47.9124.9134.3-51.9-94.1000110.7
130N27.8Very low30.3Very low154 Ų154149.8 Ų149.882%0.82475%0.75SS**  trans-173.832.2156.5-102-41000115.4N128N128-N130 PolarHBondContact O-N 3.3Å
131T30.5Very low30.2Very low134 Ų134146.2 Ų146.282%0.82274%0.74SS**  trans-123.225-174.148.60000115.3
132K30.5Very low30.5Very low206 Ų206143 Ų14390%0.89673%0.728SS**  trans-112.957.2176.1-71.7-174.2174.6179.10113.2
133K29.6Very low31Very low206 Ų206145.5 Ų145.590%0.89673%0.729SS**SBendtrans-157.926.8174.9-124163.6-169.5172.10118.1
134T27.6Very low31.3Very low114 Ų114143.9 Ų143.970%0.69972%0.721SS**SBendtrans-135.2158.6172.543.40000111.3
135N35.4Very low31.7Very low103 Ų103143.3 Ų143.355%0.55172%0.719SS**  trans71.530.7165.5-54.3-11.3000119.4F137 V138N135-F137 PolarHBondContact O-N 3.25Å; N135-V138 HydrophobicContact CB-CB 4.35Å; N135-V138 HydrophobicContact CB-CG2 4.2Å; N135-V138 PolarHBondContact O-N 3.49Å
136H32.7Very low32.1Very low182 Ų182147 Ų14784%0.84373%0.726SS**THydrogen-bonded Turntrans-63.28.3169.8-153.4-49.2000114.9
137F31.8Very low32.3Very low181 Ų181145.7 Ų145.779%0.79473%0.727SS**THydrogen-bonded Turntrans-112.7-7.9174.6-163.1-101.2000113.1N135N135-F137 PolarHBondContact O-N 3.25Å
138V36.1Very low32.3Very low79 Ų79145.3 Ų145.348%0.47973%0.731SS.*THydrogen-bonded Turntrans-103.3-43.8-175.8-176.20000111.6N135 Y140 L141N135-V138 HydrophobicContact CB-CB 4.35Å; N135-V138 HydrophobicContact CB-CG2 4.2Å; N135-V138 PolarHBondContact O-N 3.49Å; V138-Y140 VanDerWaalsContact C-N 3.26Å; V138-Y140 PolarHBondContact O-N 3.18Å; V138-L141 PolarHBondContact O-N 3.34Å
139N36.6Very low32.4Very low89 Ų89147.7 Ų147.748%0.47674%0.738SS.*G310 helixtrans-62.8-30.8-177.4-68.630.2000113.6L141 L142 E143N139-L141 PolarHBondContact O-N 3.38Å; N139-L142 PolarHBondContact O-N 2.87Å; N139-E143 PolarHBondContact O-N 3.13Å; N139-E143 VanDerWaalsContact O-N 3.09Å
140Y34.1Very low32.3Very low173 Ų173146.9 Ų146.968%0.67873%0.734SS**G310 helixtrans-61.1-14.8180-150.8-87.3000113.8V138 N144V138-Y140 VanDerWaalsContact C-N 3.26Å; V138-Y140 PolarHBondContact O-N 3.18Å; Y140-N144 PolarHBondContact O-ND2 3.09Å
141L35.8Very low32.6Very low126 Ų126147.1 Ų147.166%0.6674%0.735SS**G310 helixtrans-105.3-4.5175.4-66.7173.6000113.9V138 N139 N145V138-L141 PolarHBondContact O-N 3.34Å; N139-L141 PolarHBondContact O-N 3.38Å; L141-N145 PolarHBondContact O-ND2 3.29Å
142L36.9Very low32.4Very low111 Ų111148.2 Ų148.258%0.58174%0.735SS**THydrogen-bonded Turntrans-101.8-44176-100.263.4000112.2N139 N144 N145N139-L142 PolarHBondContact O-N 2.87Å; L142-N144 PolarHBondContact O-N 3.5Å; L142-N145 PolarHBondContact O-N 3.45Å
143E36.3Very low32.4Very low149 Ų149145.9 Ų145.970%0.69673%0.73SS**THydrogen-bonded Turntrans-65.7-3.5-176.2-71.4172.4120.200114.6N139N139-E143 PolarHBondContact O-N 3.13Å; N139-E143 VanDerWaalsContact O-N 3.09Å
144N33.8Very low32.4Very low122 Ų122141.9 Ų141.965%0.65272%0.718SS**THydrogen-bonded Turntrans-102.87.6178.9-70.8-67.7000114.4Y140 L142Y140-N144 PolarHBondContact O-ND2 3.09Å; L142-N144 PolarHBondContact O-N 3.5Å
145N34.7Very low32.4Very low133 Ų133144.3 Ų144.371%0.71172%0.721SS**SBendtrans-123.6-1.4-176.3-69.3-66.7000115.4L141 L142L141-N145 PolarHBondContact O-ND2 3.29Å; L142-N145 PolarHBondContact O-N 3.45Å
146E31.7Very low32.1Very low173 Ų173145.2 Ų145.281%0.80873%0.727SS**  trans-111.246.6-172.5-63.7-168.1154.500113.9
147L31.9Very low32.1Very low164 Ų164146 Ų14686%0.85973%0.728SS**  trans-143.667.6175.8-97.4174.9000112.3
148N28.1Very low32Very low168 Ų168143.8 Ų143.890%0.89872%0.724SS**  trans-16750.7162.5-112.4-19.7000115.2
149Q29.6Very low32.1Very low177 Ų177147.5 Ų147.583%0.82774%0.741SS**  trans-139.1153.9162.1-68.6-168-0.500110.1
150N28.1Very low31.7Very low141 Ų141150.5 Ų150.575%0.75476%0.757SS**  trans71.289.1-178.4-46.2-39000115.6
151N32.4Very low32Very low158 Ų158149.3 Ų149.385%0.84576%0.762SS**  178.1118.399-83.2-24000111.9
152N26.4Very low31.9Very low157 Ų157149.9 Ų149.984%0.8477%0.766SS**  trans-73.5145152.2-75.7-22.8000108.4
153M31.9Very low31.6Very low157 Ų157153 Ų15377%0.77378%0.782SS**  165.5121.7127.6-85.2-54-83.100111
154N29.5Very low31.3Very low123 Ų123152.8 Ų152.866%0.65879%0.785SS**  trans54103.5148.3-62.116.1000121.4
155E27.8Very low30.9Very low164 Ų164154.4 Ų154.477%0.76679%0.793SS**  67132116-73.8-159.4167.900123.6
156N27.9Very low30.7Very low123 Ų123156.5 Ų156.566%0.65880%0.796SS**  trans64.289.1134.8-64.1-33.8000119.5
157K33.9Very low30.5Very low199 Ų199154.3 Ų154.387%0.86579%0.79SS**  -170.9157.695.3-100.6161.4-174.6173.60115
158N28.4Very low30.4Very low133 Ų133152 Ų15271%0.71178%0.777SS**  trans-47.4152.6166.2-42.4-13.9000110.8
159D37.8Very low30.5Very low157 Ų157152.8 Ų152.884%0.8478%0.778SS**  -145.415863.1-76.2-41.6000114.3
160N29.9Very low30.4Very low153 Ų153150.7 Ų150.782%0.81877%0.773SS**  trans-95.8135.3178.9-62.7-72.1000110.8
161D40Very low30.4Very low147 Ų147150 Ų15079%0.78677%0.773SS**  trans-156.5116.7148.4-110.8-21.7000113.4
162N33.7Very low30.2Very low138 Ų138148 Ų14874%0.73877%0.772SS**  trans50.192.7146.4-51.2-46.6000120.5
163L29.6Very low30.4Very low176 Ų176145.3 Ų145.392%0.92177%0.766SS**  trans-153.553134.8-119.2173.8000113.2L165L163-L165 PolarHBondContact O-N 2.85Å; L163-L165 VanDerWaalsContact O-N 3.1Å
164L29.9Very low30.1Very low146 Ų146146.3 Ų146.376%0.76477%0.773SS**  trans-74.999.8172.9-103.5169.3000111F166L164-F166 HydrophobicContact CB-CD2 4.29Å; L164-F166 HydrophobicContact CD1-CE2 4.23Å; L164-F166 HydrophobicContact CD2-CD2 4.19Å; L164-F166 HydrophobicContact CD2-CE2 3.94Å; L164-F166 PolarHBondContact O-N 3.25Å
165L26.5Very low30.1Very low155 Ų155147.4 Ų147.481%0.81278%0.779SS**  trans-57.4112.1160.1174.268.2000108.6L163L163-L165 PolarHBondContact O-N 2.85Å; L163-L165 VanDerWaalsContact O-N 3.1Å
166F30.9Very low30.1Very low177 Ų177145.3 Ų145.378%0.77678%0.782SS**  trans-117.5138.1172.2-108.7-70.2000112.5L164L164-F166 HydrophobicContact CB-CD2 4.29Å; L164-F166 HydrophobicContact CD1-CE2 4.23Å; L164-F166 HydrophobicContact CD2-CD2 4.19Å; L164-F166 HydrophobicContact CD2-CE2 3.94Å; L164-F166 PolarHBondContact O-N 3.25Å
167D26.6Very low30.4Very low128 Ų128145.6 Ų145.668%0.68479%0.791SS**  trans-81.7155.4-167.4-106.2-50.3000114.5
168I29.2Very low30.2Very low114 Ų114142 Ų14259%0.58579%0.791SS**  trans51.3110.4145.6-58.9161.3000117.5N170I168-N170 HydrophobicContact CG2-CB 4.15Å; I168-N170 VanDerWaalsContact CG2-ND2 3.31Å; I168-N170 WeakPolarHBondContact CG2-ND2 3.45Å
169M31Very low30.2Very low185 Ų185140.7 Ų140.791%0.91179%0.792SS**  -117.5102.1127.8-84.3-131.1-76.800110.7T171M169-T171 PolarHBondContact O-N 3.36Å
170N27.3Very low29.8Very low134 Ų134137.6 Ų137.672%0.71778%0.782SS**  trans-75.6103.2167.3-87.4-63000109.7I168I168-N170 HydrophobicContact CG2-CB 4.15Å; I168-N170 VanDerWaalsContact CG2-ND2 3.31Å; I168-N170 WeakPolarHBondContact CG2-ND2 3.45Å
171T28.9Very low29.9Very low125 Ų125137.7 Ų137.777%0.76778%0.781SS**  trans-127.476.8155.2430000110.7M169 S173M169-T171 PolarHBondContact O-N 3.36Å; T171-S173 PolarHBondContact O-N 3.4Å; T171-S173 VanDerWaalsContact O-N 3.1Å
172S27.6Very low29.5Very low118 Ų118135.1 Ų135.183%0.82578%0.775SS**  trans-53.7110.4164.750.10000111.5
173S29.2Very low29.5Very low100 Ų100133.2 Ų133.270%0.69977%0.772SS**  trans-136.773.8166-166.50000110.4T171 N175T171-S173 PolarHBondContact O-N 3.4Å; T171-S173 VanDerWaalsContact O-N 3.1Å; S173-N175 PolarHBondContact O-N 2.99Å
174L27.6Very low29.9Very low178 Ų178134.2 Ų134.293%0.93277%0.77SS**  trans-74.794.6164.6-90.9158.1000108.2
175N27.7Very low30.2Very low146 Ų146131 Ų13178%0.78176%0.759SS**  trans-135.595.4171.3-96.8-35.2000111.2S173S173-N175 PolarHBondContact O-N 2.99Å
176S29.1Very low30.7Very low120 Ų120130.2 Ų130.284%0.83976%0.756SS**  trans-147.8136.2168.8-70.50000109
177P33.4Very low31Very low128 Ų128128.6 Ų128.683%0.83175%0.754SS**  cis-124153-24.337.9-24.5000112.3
178S29.3Very low31.6Very low125 Ų125128.8 Ų128.887%0.87476%0.755SS**  trans-138.1145.8162.653.30000110.4
179S29.4Very low32Very low105 Ų105129.6 Ų129.673%0.73476%0.761SS**  trans-89.7161.9-172.956.90000112.7
180S29.9Very low32.4Very low91 Ų91126.6 Ų126.664%0.63676%0.757SS**  trans66.2119141.7580000120.3
181I31.1Very low32.6Very low155 Ų155126.8 Ų126.880%0.79576%0.758SS**  trans94.6105.6131.8-67.7167.6000119.1
182S31.2Very low33Very low93 Ų93128.5 Ų128.565%0.6576%0.762SS**  trans65.797.913975.50000122.9
183S33.3Very low33.2Very low98 Ų98130.1 Ų130.169%0.68576%0.762SS**  63.9134.8112.273.20000123.2
184K37.9Very low33.5Very low198 Ų198131.9 Ų131.986%0.86177%0.768SS**  trans69.4150.9154.7-69.9179178.5-176.30117.4
185S36.1Very low33.6Very low77 Ų77131.5 Ų131.554%0.53877%0.767SS.*  cis-169.3168.2-30.747.10000107.6
186D38.5Very low34Very low139 Ų139129.9 Ų129.974%0.74377%0.767SS**  trans68.2158.3160.3-42.5-45.5000116.4
187L36.6Very low34.2Very low143 Ų143131.3 Ų131.375%0.74977%0.766SS**  cis-162.8-171.2-45.1-120.5158.8000107.8
188D39.8Very low34.1Very low133 Ų133131.2 Ų131.271%0.71176%0.758SS**  trans66.584.1157-57.2-28.8000121.8
189N36.5Very low34.3Very low130 Ų130135.5 Ų135.570%0.69576%0.756SS**  32122.5105-179.943.9000119.8
190C39Very low34.7Very low123 Ų123137.7 Ų137.783%0.83176%0.759SS**  -163.7143.8123.6-117.60000113.3
191N32.2Very low35Very low137 Ų137139.3 Ų139.373%0.73377%0.765SS**  trans-78.1156.5171.5-69.5-49.2000111.6
192N37.3Very low35.3Very low161 Ų161141.8 Ų141.886%0.86177%0.765SS**  -170.3155.1116.8-96.4-35.8000113.2
193N31.2Very low36Very low153 Ų153145.3 Ų145.382%0.81877%0.768SS**  trans-71.5146.8-176.7-63.9-41.9000112.8
194T36Very low36.3Very low136 Ų136145.4 Ų145.483%0.83476%0.761SS**  trans-161.7141.6134.33.40000110.4S196T194-S196 PolarHBondContact O-N 2.86Å
195N29.8Very low36.5Very low171 Ų171143 Ų14391%0.91475%0.751SS**  trans-80.7110.7-179.1-74.7-28.9000111.1
196S35.8Very low36.8Very low111 Ų111145.7 Ų145.778%0.77676%0.755SS**  trans-136.988161.144.70000109.7T194 D198T194-S196 PolarHBondContact O-N 2.86Å; S196-D198 PolarHBondContact O-N 3.46Å
197N33Very low37.1Very low151 Ų151145 Ų14581%0.80775%0.748SS**  trans-60.6119.3161.9-64.6-57.1000107.7
198D32.4Very low37.3Very low125 Ų125143.2 Ų143.267%0.66874%0.738SS**  trans-169.4139.4148.5-103.6-10000116.5S196 L200S196-D198 PolarHBondContact O-N 3.46Å; D198-L200 PolarHBondContact O-N 3.31Å
199Y33.9Very low37.6Very low215 Ų215141.1 Ų141.184%0.84373%0.726SS**SBendtrans44.84150.8-63-65.6000124.8
200L37.4Very low37.8Very low151 Ų151138.2 Ų138.279%0.79172%0.717SS**SBendtrans-95.2-15.5-176.1-132.973.2000118D198D198-L200 PolarHBondContact O-N 3.31Å
201T37Very low38.1Very low125 Ų125137.7 Ų137.777%0.76771%0.705SS**SBendtrans-93.8-19.2-165.9-21.90000116
202R36.9Very low38.4Very low207 Ų207139.3 Ų139.378%0.78171%0.705SS**Hα-helixtrans-77-29-166.1-148.9173.4-162.1170.46.4115
203K45Very low38.6Very low167 Ų167138 Ų13873%0.72670%0.697SS**Hα-helixtrans-72.4-31.6-176.5-72.5-179.9177.3173.90113.4F205K203-F205 PolarHBondContact O-N 2.76Å
204N40.9Very low38.9Very low100 Ų100137.4 Ų137.454%0.53569%0.687SS.*Hα-helixtrans-76.1-24.9-176-63.2-8.2000112.6N208N204-N208 PolarHBondContact O-N 3.25Å; N204-N208 PolarHBondContact O-ND2 2.58Å
205F40.2Very low38.8Very low149 Ų149134.8 Ų134.865%0.65467%0.674SS**Hα-helixtrans-72-41-179.9-153.8-106000112.6K203 Q207 N208 I209K203-F205 PolarHBondContact O-N 2.76Å; F205-Q207 VanDerWaalsContact C-N 3.34Å; F205-Q207 PolarHBondContact O-N 3.39Å; F205-N208 PolarHBondContact O-N 3.49Å; F205-I209 HydrophobicContact CD1-CD1 3.64Å; F205-I209 HydrophobicContact CE1-CD1 3.76Å; F205-I209 PolarHBondContact O-N 3.27Å; F205-I209 VanDerWaalsContact O-N 3.11Å
206Q44.1Very low39.4Very low133 Ų133133.9 Ų133.962%0.62167%0.668SS**Hα-helixtrans-69.3-29.9179.5-69.8-179.3-36.200113.2S210Q206-S210 WeakPolarHBondContact O-CB 3.32Å; Q206-S210 PolarHBondContact O-N 3.33Å; Q206-S210 VanDerWaalsContact O-N 3.13Å; Q206-S210 PolarHBondContact O-OG 3.3Å
207Q45.2Very low39.4Very low125 Ų125137 Ų13758%0.58467%0.67SS**Hα-helixtrans-67.9-42.7172.9-66.9-177.10.600111.2F205 I209 S210 L211F205-Q207 VanDerWaalsContact C-N 3.34Å; F205-Q207 PolarHBondContact O-N 3.39Å; Q207-I209 PolarHBondContact O-N 3.44Å; Q207-S210 PolarHBondContact O-N 2.88Å; Q207-L211 WeakPolarHBondContact O-CG 3.3Å; Q207-L211 PolarHBondContact O-N 3.4Å
208N40.7Very low39.2Very low104 Ų104132.1 Ų132.156%0.55666%0.656SS**Hα-helixtrans-65.5-37.1176.9-75.4-29.9000113.3N204 F205 L211 K212N204-N208 PolarHBondContact O-N 3.25Å; N204-N208 PolarHBondContact O-ND2 2.58Å; F205-N208 PolarHBondContact O-N 3.49Å; N208-L211 PolarHBondContact O-N 3.01Å; N208-K212 PolarHBondContact O-N 3.44Å; N208-K212 VanDerWaalsContact O-N 3.09Å
209I46.2Very low39.1Very low89 Ų89132 Ų13246%0.45666%0.664SS.*Hα-helixtrans-65.2-41.6173.3-68.9160.8000111F205 Q207 L211 K212F205-I209 HydrophobicContact CD1-CD1 3.64Å; F205-I209 HydrophobicContact CE1-CD1 3.76Å; F205-I209 PolarHBondContact O-N 3.27Å; F205-I209 VanDerWaalsContact O-N 3.11Å; Q207-I209 PolarHBondContact O-N 3.44Å; I209-L211 PolarHBondContact O-N 2.82Å; I209-L211 VanDerWaalsContact O-N 3.14Å; I209-K212 PolarHBondContact O-N 3.11Å
210S39.9Very low39.4Very low70 Ų70131.7 Ų131.749%0.4967%0.668SS.*Hα-helixtrans-66.1-13177.6-60.40000114.4Q206 Q207Q206-S210 WeakPolarHBondContact O-CB 3.32Å; Q206-S210 PolarHBondContact O-N 3.33Å; Q206-S210 VanDerWaalsContact O-N 3.13Å; Q206-S210 PolarHBondContact O-OG 3.3Å; Q207-S210 PolarHBondContact O-N 2.88Å
211L45.1Very low39.2Very low112 Ų112133.2 Ų133.259%0.58667%0.668SS**Hα-helixtrans-99.6-33.3175.1-68.8168.7000112.7Q207 N208 I209 I213 K214 S215Q207-L211 WeakPolarHBondContact O-CG 3.3Å; Q207-L211 PolarHBondContact O-N 3.4Å; N208-L211 PolarHBondContact O-N 3.01Å; I209-L211 PolarHBondContact O-N 2.82Å; I209-L211 VanDerWaalsContact O-N 3.14Å; L211-I213 VanDerWaalsContact C-N 3.34Å; L211-I213 PolarHBondContact O-N 2.85Å; L211-K214 PolarHBondContact O-N 2.81Å; L211-K214 VanDerWaalsContact O-N 3.14Å; L211-S215 PolarHBondContact O-N 3.4Å
212K37.9Very low39.2Very low171 Ų171133.5 Ų133.574%0.74367%0.665SS**Hα-helixtrans-70.8-19.7178.8-101.9-176.7174.1-177.90115.5N208 I209 S215N208-K212 PolarHBondContact O-N 3.44Å; N208-K212 VanDerWaalsContact O-N 3.09Å; I209-K212 PolarHBondContact O-N 3.11Å; K212-S215 PolarHBondContact O-OG 3.43Å
213I41.7Very low39.3Very low132 Ų132134.1 Ų134.168%0.67767%0.667SS**THydrogen-bonded Turntrans-84.3-20.1171.6-62.4176.9000111.4L211L211-I213 VanDerWaalsContact C-N 3.34Å; L211-I213 PolarHBondContact O-N 2.85Å
214K37.4Very low39Very low142 Ų142133.1 Ų133.162%0.61767%0.67SS**THydrogen-bonded Turntrans-86.4-16.2177.2-70.2176.7-179.5168.40113.6L211 I216 Q217L211-K214 PolarHBondContact O-N 2.81Å; L211-K214 VanDerWaalsContact O-N 3.14Å; K214-I216 VanDerWaalsContact C-N 3.32Å; K214-I216 PolarHBondContact O-N 2.89Å; K214-Q217 PolarHBondContact O-N 3.47Å; K214-Q217 VanDerWaalsContact O-N 3.13Å
215S34.4Very low39.7Very low81 Ų81134.7 Ų134.757%0.56668%0.683SS**THydrogen-bonded Turntrans-73.7-13.7-179.943.80000115.5L211 K212 Q217L211-S215 PolarHBondContact O-N 3.4Å; K212-S215 PolarHBondContact O-OG 3.43Å; S215-Q217 PolarHBondContact O-N 3.13Å
216I42.4Very low40.4Very low151 Ų151133.8 Ų133.877%0.77468%0.681SS**THydrogen-bonded Turntrans-78.1-9170-59.1176.9000111.1K214K214-I216 VanDerWaalsContact C-N 3.32Å; K214-I216 PolarHBondContact O-N 2.89Å
217Q36.1Very low41.6Very low176 Ų176128.8 Ų128.882%0.82267%0.665SS**SBendtrans-101.442.8175.3-60.6-177.1-7.400111.8K214 S215K214-Q217 PolarHBondContact O-N 3.47Å; K214-Q217 VanDerWaalsContact O-N 3.13Å; S215-Q217 PolarHBondContact O-N 3.13Å
218G27.6Very low43.1Very low50 Ų50128.4 Ų128.452%0.51566%0.658SS.*  trans-103.1144.4-178.800000115K220G218-K220 PolarHBondContact O-N 3.39Å
219S31.9Very low45.4Very low121 Ų121124 Ų12485%0.84664%0.636SS**SBendtrans49.256.2154.959.80000120.4
220K39.9Very low47.1Very low210 Ų210121.3 Ų121.391%0.91362%0.624SS**  trans-161.878135.9-105.3147.8-167.9171.20112.8G218G218-K220 PolarHBondContact O-N 3.39Å
221K32.9Very low49.2Very low183 Ų183118.4 Ų118.480%0.79660%0.603SS**  trans-68.1164.5156.6-139.1176.7-177.2-179.60109
222D35.9Very low50.9Low131 Ų131122 Ų12270%0.70161%0.608SS**  trans66.374164.6-47.3-36.4000117.9
223R40.5Very low53.1Low220 Ų220121 Ų12183%0.8361%0.611SS**SBend-170.5134.1129.6-103.5160.8-102.5-155.8-6.9110.1T225 R228R223-T225 PolarHBondContact O-N 2.94Å; R223-R228 PolarHBondContact O-NH2 3.14Å
224N37.7Very low55.3Low145 Ų145115.5 Ų115.578%0.77558%0.584SS**  trans-29.9120.5-171.7-62.2-14.8000115.8R228N224-R228 PolarHBondContact O-NH2 3.4Å
225T55.3Low57.7Low133 Ų133112.2 Ų112.282%0.81657%0.574SS**  trans-86.8-7.1174.443.20000113.6R223 G227R223-T225 PolarHBondContact O-N 2.94Å; T225-G227 VanDerWaalsContact C-N 3.27Å; T225-G227 PolarHBondContact O-N 3.32Å
226E56.2Low60.3Low130 Ų130108.4 Ų108.461%0.60755%0.547SS*.THydrogen-bonded Turntrans-72.272.4-178.2-166.177.7-18000112S293E226-S293 WeakPolarHBondContact OE1-CB 3.44Å; E226-S293 PolarHBondContact OE1-OG 3.08Å
227G68.2Low62.6Low28 Ų28104.6 Ų104.629%0.28953%0.531SS..THydrogen-bonded Turntrans113.530.316300000118.2T225 R248T225-G227 VanDerWaalsContact C-N 3.27Å; T225-G227 PolarHBondContact O-N 3.32Å; G227-R248 WeakPolarHBondContact O-CD 3.45Å; G227-R248 WeakPolarHBondContact O-CG 3.46Å; G227-R248 PolarHBondContact O-NH1 3.28Å
228R77.9Confident65.1Low117 Ų11797.6 Ų97.644%0.44251%0.505SS..SBendtrans-85.9169.4159.3-89.6177.1-76.7168.90.4110.9R223 N224R223-R228 PolarHBondContact O-NH2 3.14Å; N224-R228 PolarHBondContact O-NH2 3.4Å
229C87.7Confident68.2Low13 Ų1397.4 Ų97.49%0.08849%0.491CS..  trans-58.5143175.4-172.40000111.6I231 C234 H247C229-I231 PolarHBondContact O-N 3.26Å; C229-C234 HydrophobicContact CB-CB 4.03Å; C229-H247 WeakPolarHBondContact CB-NE2 3.22Å; C229-H247 VanDerWaalsContact SG-CD2 3.58Å; C229-H247 PolarHBondContact SG-NE2 3.09Å; C229-H247 VanDerWaalsContact SG-NE2 3.37Å
230P83.4Confident71Confident31 Ų3194.4 Ų94.420%0.20147%0.473CS..SBendtrans-68.1-17.2174.1-22.534.7000115.1R232 V250P230-R232 PolarHBondContact O-N 3.11Å; P230-V250 HydrophobicContact CB-CG2 4.05Å; P230-V250 HydrophobicContact CG-CG2 4.09Å
231I83Confident73.3Confident9 Ų988.3 Ų88.35%0.04645%0.454CS..SBendtrans-70.3127.5-176.4-75.4157000110.9C229 C234 V250 C253 A259 E263C229-I231 PolarHBondContact O-N 3.26Å; I231-C234 HydrophobicContact CB-CB 3.9Å; I231-C234 HydrophobicContact CG2-CB 3.88Å; I231-C234 VanDerWaalsContact O-CB 3.25Å; I231-C234 WeakPolarHBondContact O-CB 3.4Å; I231-C234 PolarHBondContact O-N 3.33Å; I231-V250 HydrophobicContact CD1-CB 4.4Å; I231-V250 HydrophobicContact CD1-CG1 4.09Å; I231-V250 HydrophobicContact CG1-CG2 4.32Å; I231-C253 HydrophobicContact CD1-CB 3.42Å; I231-C253 VanDerWaalsContact CD1-CB 3.42Å; I231-C253 WeakPolarHBondContact CD1-SG 3.31Å; I231-A259 HydrophobicContact CD1-CB 4.04Å; I231-A259 HydrophobicContact CG1-CB 3.99Å; I231-E263 WeakPolarHBondContact CA-OE1 3.4Å; I231-E263 HydrophobicContact CB-CG 4.31Å; I231-E263 HydrophobicContact CG1-CG 3.66Å
232R81.7Confident75.9Confident187 Ų18782.8 Ų82.871%0.70645%0.449SS*.THydrogen-bonded Turntrans-58.4141.9171.1-69.7178.8-179.9-1011.4110.4P230 C234 E263P230-R232 PolarHBondContact O-N 3.11Å; R232-C234 PolarHBondContact O-N 3.45Å; R232-C234 VanDerWaalsContact O-N 3.14Å; R232-E263 PolarHBondContact N-OE1 3.12Å
233D82.9Confident78.5Confident150 Ų15083.5 Ų83.580%0.80245%0.452SS*.THydrogen-bonded Turntrans5720.2-171.1-52-39.4000115.1R255D233-R255 PolarHBondContact O-NH1 3.1Å
234C88.9Confident80.9Confident17 Ų1780 Ų8012%0.11544%0.44CS..  trans-100.4130.5165.5-164.30000112.3C229 I231 R232 G236 H247C229-C234 HydrophobicContact CB-CB 4.03Å; I231-C234 HydrophobicContact CB-CB 3.9Å; I231-C234 HydrophobicContact CG2-CB 3.88Å; I231-C234 VanDerWaalsContact O-CB 3.25Å; I231-C234 WeakPolarHBondContact O-CB 3.4Å; I231-C234 PolarHBondContact O-N 3.33Å; R232-C234 PolarHBondContact O-N 3.45Å; R232-C234 VanDerWaalsContact O-N 3.14Å; C234-G236 PolarHBondContact SG-N 3.02Å; C234-G236 VanDerWaalsContact SG-N 3.43Å; C234-H247 PolarHBondContact SG-CE1 3.42Å; C234-H247 PolarHBondContact SG-NE2 3.07Å
235D88.2Confident83.4Confident74 Ų7478.1 Ų78.140%0.39644%0.438SS..  trans-82.4-21.3175.160.7-12.9000113.2T237D235-T237 VanDerWaalsContact CG-OG1 3.23Å; D235-T237 PolarHBondContact OD1-N 3.09Å; D235-T237 PolarHBondContact OD1-OG1 3.15Å; D235-T237 VanDerWaalsContact OD1-OG1 3.12Å; D235-T237 WeakPolarHBondContact OD2-CB 3.32Å; D235-T237 WeakPolarHBondContact OD2-CG2 3.12Å; D235-T237 PolarHBondContact OD2-OG1 2.77Å
236G88.2Confident85.1Confident0 Ų075.7 Ų75.70%042%0.415CS..  trans94.76.2-173.400000114.4C234 Y246 H247C234-G236 PolarHBondContact SG-N 3.02Å; C234-G236 VanDerWaalsContact SG-N 3.43Å; G236-Y246 CarbonylContact O-C 3.09Å; G236-Y246 WeakPolarHBondContact O-CA 3.36Å; G236-Y246 WeakPolarHBondContact O-CD2 3.33Å; G236-Y246 VanDerWaalsContact O-CE2 3.32Å; G236-Y246 WeakPolarHBondContact O-CE2 3.31Å; G236-H247 VanDerWaalsContact CA-CE1 3.47Å; G236-H247 WeakPolarHBondContact CA-CE1 3.48Å; G236-H247 PolarHBondContact O-N 3.01Å; G236-H247 PolarHBondContact O-ND1 2.82Å
237T90.3Very high86.8Confident72 Ų7269.8 Ų69.844%0.44239%0.387SS..BIsolated β-bridgetrans-83.5156.9-179.765.80000112.8D235 H247D235-T237 VanDerWaalsContact CG-OG1 3.23Å; D235-T237 PolarHBondContact OD1-N 3.09Å; D235-T237 PolarHBondContact OD1-OG1 3.15Å; D235-T237 VanDerWaalsContact OD1-OG1 3.12Å; D235-T237 WeakPolarHBondContact OD2-CB 3.32Å; D235-T237 WeakPolarHBondContact OD2-CG2 3.12Å; D235-T237 PolarHBondContact OD2-OG1 2.77Å; T237-H247 PolarHBondContact O-CE1 3.49Å; T237-H247 PolarHBondContact O-ND1 3.24Å; T237-H247 VanDerWaalsContact O-ND1 3.08Å
238G88.9Confident87.8Confident28 Ų2875.8 Ų75.829%0.28940%0.401SS..SBendtrans62.6-170.5-172.800000113.3Y244 S245 Y246 H247G238-Y244 CarbonylContact C-O 3.23Å; G238-Y244 WeakPolarHBondContact CA-O 3.39Å; G238-S245 PolarHBondContact N-O 3.13Å; G238-Y246 CarbonylContact O-C 3.45Å; G238-Y246 VanDerWaalsContact O-C 3.22Å; G238-Y246 WeakPolarHBondContact O-CA 3.32Å; G238-Y246 PolarHBondContact O-N 3.3Å; G238-H247 PolarHBondContact O-N 3.42Å; G238-H247 PolarHBondContact O-ND1 3.3Å
239H93Very high88.1Confident47 Ų4771.5 Ų71.522%0.21839%0.389CS..  trans-151.9153.4174.5-171.1-96.8000109.6T241 G242 Y244 G252H239-T241 PolarHBondContact ND1-N 3.16Å; H239-T241 PolarHBondContact ND1-OG1 3.4Å; H239-T241 PolarHBondContact O-N 3.22Å; H239-G242 PolarHBondContact O-N 2.91Å; H239-Y244 HydrophobicContact CB-CD2 4.26Å; H239-Y244 WeakPolarHBondContact CB-O 3.2Å; H239-Y244 AromaticContact CG-CD2 3.88Å; H239-Y244 PolarHBondContact N-O 3.21Å; H239-Y244 VanDerWaalsContact N-O 3.11Å; H239-Y244 AromaticContact ND1-CD2 3.72Å; H239-G252 CarbonylContact C-O 3.53Å; H239-G252 WeakPolarHBondContact CA-O 3.09Å; H239-G252 PolarHBondContact CD2-O 3.44Å; H239-G252 VanDerWaalsContact CD2-O 3.3Å; H239-G252 WeakPolarHBondContact NE2-CA 3.17Å
240A90.1Very high88Confident57 Ų5771.1 Ų71.147%0.47139%0.387SS..THydrogen-bonded Turntrans-58.1-14.4-179.800000114.7G252A240-G252 PolarHBondContact N-O 3.38Å
241T88.8Confident88.1Confident82 Ų8273 Ų7350%0.50340%0.4SS..THydrogen-bonded Turntrans-100.4-1.7176.360.20000113.9H239 L243H239-T241 PolarHBondContact ND1-N 3.16Å; H239-T241 PolarHBondContact ND1-OG1 3.4Å; H239-T241 PolarHBondContact O-N 3.22Å; T241-L243 PolarHBondContact O-N 2.89Å
242G87.9Confident88.2Confident68 Ų6872.6 Ų72.670%0.70140%0.398SS*.SBendtrans69.7-24.7-171.400000115.7H239 Y244H239-G242 PolarHBondContact O-N 2.91Å; G242-Y244 VanDerWaalsContact C-N 3.32Å; G242-Y244 PolarHBondContact O-N 2.99Å
243L90.8Very high88.6Confident145 Ų14563.7 Ų63.776%0.75937%0.365SS*.SBendtrans-72.3-13.8-172.3-63.3175.9000115.9T241T241-L243 PolarHBondContact O-N 2.89Å
244Y89.8Confident88.9Confident147 Ų14759.9 Ų59.958%0.57635%0.348SS*.  trans-126.7138.4-177.8-52.5-81.1000110.8G238 H239 G242 Y246G238-Y244 CarbonylContact C-O 3.23Å; G238-Y244 WeakPolarHBondContact CA-O 3.39Å; H239-Y244 HydrophobicContact CB-CD2 4.26Å; H239-Y244 WeakPolarHBondContact CB-O 3.2Å; H239-Y244 AromaticContact CG-CD2 3.88Å; H239-Y244 PolarHBondContact N-O 3.21Å; H239-Y244 VanDerWaalsContact N-O 3.11Å; H239-Y244 AromaticContact ND1-CD2 3.72Å; G242-Y244 VanDerWaalsContact C-N 3.32Å; G242-Y244 PolarHBondContact O-N 2.99Å; Y244-Y246 PolarHBondContact O-N 3.08Å
245S90.3Very high88.6Confident106 Ų10665.1 Ų65.174%0.74137%0.366SS*.SBendtrans-76.3-7-178.354.10000114.5G238G238-S245 PolarHBondContact N-O 3.13Å
246Y91Very high88Confident82 Ų8266.5 Ų66.532%0.32237%0.368SS..BIsolated β-bridgetrans-153.3145.5-173.1-163.1-99.3000112.6G236 G238 Y244 R248G236-Y246 CarbonylContact O-C 3.09Å; G236-Y246 WeakPolarHBondContact O-CA 3.36Å; G236-Y246 WeakPolarHBondContact O-CD2 3.33Å; G236-Y246 VanDerWaalsContact O-CE2 3.32Å; G236-Y246 WeakPolarHBondContact O-CE2 3.31Å; G238-Y246 CarbonylContact O-C 3.45Å; G238-Y246 VanDerWaalsContact O-C 3.22Å; G238-Y246 WeakPolarHBondContact O-CA 3.32Å; G238-Y246 PolarHBondContact O-N 3.3Å; Y244-Y246 PolarHBondContact O-N 3.08Å; Y246-R248 HydrophobicContact CD1-CG 4.1Å; Y246-R248 HydrophobicContact CE1-CG 3.63Å; Y246-R248 VanDerWaalsContact CE1-CZ 3.45Å
247H91.8Very high87.1Confident6 Ų673.8 Ų73.83%0.02841%0.407CS..  trans-139.4157.317770.3-84000112.2C229 C234 G236 T237 G238 G252 C253 P254C229-H247 WeakPolarHBondContact CB-NE2 3.22Å; C229-H247 VanDerWaalsContact SG-CD2 3.58Å; C229-H247 PolarHBondContact SG-NE2 3.09Å; C229-H247 VanDerWaalsContact SG-NE2 3.37Å; C234-H247 PolarHBondContact SG-CE1 3.42Å; C234-H247 PolarHBondContact SG-NE2 3.07Å; G236-H247 VanDerWaalsContact CA-CE1 3.47Å; G236-H247 WeakPolarHBondContact CA-CE1 3.48Å; G236-H247 PolarHBondContact O-N 3.01Å; G236-H247 PolarHBondContact O-ND1 2.82Å; T237-H247 PolarHBondContact O-CE1 3.49Å; T237-H247 PolarHBondContact O-ND1 3.24Å; T237-H247 VanDerWaalsContact O-ND1 3.08Å; G238-H247 PolarHBondContact O-N 3.42Å; G238-H247 PolarHBondContact O-ND1 3.3Å; H247-G252 WeakPolarHBondContact CB-O 3.31Å; H247-C253 VanDerWaalsContact CD2-CA 3.48Å; H247-C253 WeakPolarHBondContact CD2-CA 3.36Å; H247-C253 WeakPolarHBondContact NE2-CB 3.34Å; H247-C253 PolarHBondContact NE2-SG 3.38Å; H247-P254 VanDerWaalsContact CE1-CD 3.43Å; H247-P254 WeakPolarHBondContact CE1-CD 3.32Å
248R89Confident85.7Confident153 Ų15381.3 Ų81.358%0.57743%0.427SS*.  trans-130.49.1-176.8-57.5-170.9-169-96.54.4114G227 Y246G227-R248 WeakPolarHBondContact O-CD 3.45Å; G227-R248 WeakPolarHBondContact O-CG 3.46Å; G227-R248 PolarHBondContact O-NH1 3.28Å; Y246-R248 HydrophobicContact CD1-CG 4.1Å; Y246-R248 HydrophobicContact CE1-CG 3.63Å; Y246-R248 VanDerWaalsContact CE1-CZ 3.45Å
249S85.4Confident84.4Confident28 Ų2880.9 Ų80.920%0.19642%0.421CS..SBendtrans-144.4153.6-173.559.10000111.6S251 G252 C253S249-S251 WeakPolarHBondContact CB-OG 3.28Å; S249-S251 PolarHBondContact O-N 2.73Å; S249-S251 PolarHBondContact OG-OG 2.6Å; S249-G252 PolarHBondContact O-N 3.47Å; S249-G252 PolarHBondContact OG-N 2.78Å; S249-C253 PolarHBondContact O-N 3.04Å
250V84.7Confident83Confident5 Ų581.6 Ų81.63%0.0343%0.431CS..G310 helixtrans-52.8-38.9172-176.80000111.2P230 I231 G252 C253 K256 Y267P230-V250 HydrophobicContact CB-CG2 4.05Å; P230-V250 HydrophobicContact CG-CG2 4.09Å; I231-V250 HydrophobicContact CD1-CB 4.4Å; I231-V250 HydrophobicContact CD1-CG1 4.09Å; I231-V250 HydrophobicContact CG1-CG2 4.32Å; V250-G252 VanDerWaalsContact C-N 3.31Å; V250-G252 PolarHBondContact O-N 3.42Å; V250-C253 PolarHBondContact O-N 3.3Å; V250-K256 HydrophobicContact CG1-CG 4.49Å; V250-Y267 HydrophobicContact CB-CD2 3.99Å; V250-Y267 HydrophobicContact CG2-CD2 4.06Å
251S84.9Confident81.7Confident70 Ų7084.7 Ų84.749%0.4944%0.444SS..G310 helixtrans-64.6-28.4177.953.70000114.9S249S249-S251 WeakPolarHBondContact CB-OG 3.28Å; S249-S251 PolarHBondContact O-N 2.73Å; S249-S251 PolarHBondContact OG-OG 2.6Å
252G85.5Confident80.4Confident0 Ų083.9 Ų83.90%045%0.445CS..G310 helixtrans-1001.1179.800000113.9H239 A240 H247 S249 V250H239-G252 CarbonylContact C-O 3.53Å; H239-G252 WeakPolarHBondContact CA-O 3.09Å; H239-G252 PolarHBondContact CD2-O 3.44Å; H239-G252 VanDerWaalsContact CD2-O 3.3Å; H239-G252 WeakPolarHBondContact NE2-CA 3.17Å; A240-G252 PolarHBondContact N-O 3.38Å; H247-G252 WeakPolarHBondContact CB-O 3.31Å; S249-G252 PolarHBondContact O-N 3.47Å; S249-G252 PolarHBondContact OG-N 2.78Å; V250-G252 VanDerWaalsContact C-N 3.31Å; V250-G252 PolarHBondContact O-N 3.42Å
253C90.7Very high79Confident1 Ų181.1 Ų81.11%0.00741%0.414CS..  trans-83.2129.3-171.7-174.10000112.5I231 H247 S249 V250 R255 K256I231-C253 HydrophobicContact CD1-CB 3.42Å; I231-C253 VanDerWaalsContact CD1-CB 3.42Å; I231-C253 WeakPolarHBondContact CD1-SG 3.31Å; H247-C253 VanDerWaalsContact CD2-CA 3.48Å; H247-C253 WeakPolarHBondContact CD2-CA 3.36Å; H247-C253 WeakPolarHBondContact NE2-CB 3.34Å; H247-C253 PolarHBondContact NE2-SG 3.38Å; S249-C253 PolarHBondContact O-N 3.04Å; V250-C253 PolarHBondContact O-N 3.3Å; C253-R255 PolarHBondContact O-N 3.15Å; C253-R255 PolarHBondContact SG-N 3.19Å; C253-K256 VanDerWaalsContact O-CB 3.27Å; C253-K256 WeakPolarHBondContact O-CB 3.03Å; C253-K256 PolarHBondContact O-N 2.93Å
254P88.3Confident77.6Confident69 Ų6979 Ų7945%0.44840%0.404SS..THydrogen-bonded Turntrans-70.8-5.1172.131.6-34.8000113.5H247H247-P254 VanDerWaalsContact CE1-CD 3.43Å; H247-P254 WeakPolarHBondContact CE1-CD 3.32Å
255R82.6Confident76.1Confident128 Ų12874.8 Ų74.848%0.48340%0.399SS..THydrogen-bonded Turntrans-104.112.1174-55.7-177.4-179.9-175-2.3112.9D233 C253 D257 R258D233-R255 PolarHBondContact O-NH1 3.1Å; C253-R255 PolarHBondContact O-N 3.15Å; C253-R255 PolarHBondContact SG-N 3.19Å; R255-D257 PolarHBondContact O-N 3.4Å; R255-D257 VanDerWaalsContact O-N 3.16Å; R255-R258 PolarHBondContact O-N 3.13Å; R255-R258 VanDerWaalsContact O-N 3.1Å
256K76.3Confident74.7Confident103 Ų10372.5 Ų72.545%0.44838%0.378SS..G310 helixtrans-53.4-35.5-175179.4-172.2167.6-134.40113.5V250 C253 R258 A259V250-K256 HydrophobicContact CG1-CG 4.49Å; C253-K256 VanDerWaalsContact O-CB 3.27Å; C253-K256 WeakPolarHBondContact O-CB 3.03Å; C253-K256 PolarHBondContact O-N 2.93Å; K256-R258 PolarHBondContact O-N 2.86Å; K256-A259 WeakPolarHBondContact O-CB 3.36Å; K256-A259 PolarHBondContact O-N 2.87Å
257D68.3Low73.1Confident153 Ų15373 Ų7382%0.81838%0.38SS*.G310 helixtrans-77.6-2.5-174.6-47.1-42.3000113.3R255R255-D257 PolarHBondContact O-N 3.4Å; R255-D257 VanDerWaalsContact O-N 3.16Å
258R61.5Low71.5Confident229 Ų22979.3 Ų79.386%0.86441%0.409SS*.G310 helixtrans-103.52.2167-61.7-176.2-178.3177.4-0.1112.9R255 K256 S260R255-R258 PolarHBondContact O-N 3.13Å; R255-R258 VanDerWaalsContact O-N 3.1Å; K256-R258 PolarHBondContact O-N 2.86Å; R258-S260 PolarHBondContact O-N 2.85Å
259A61.3Low70Confident20 Ų2079 Ų7917%0.16541%0.414CS..  trans-75116.4-177.600000110.8I231 K256 E263I231-A259 HydrophobicContact CD1-CB 4.04Å; I231-A259 HydrophobicContact CG1-CB 3.99Å; K256-A259 WeakPolarHBondContact O-CB 3.36Å; K256-A259 PolarHBondContact O-N 2.87Å; A259-E263 WeakPolarHBondContact CA-OE2 3.47Å; A259-E263 HydrophobicContact CB-CB 3.97Å; A259-E263 HydrophobicContact CB-CG 4.08Å
260S64.7Low68.8Low61 Ų6180.7 Ų80.743%0.42742%0.423SS..  trans-67.5167.3-178.568.20000113.1R258 A262 E263 L264R258-S260 PolarHBondContact O-N 2.85Å; S260-A262 PolarHBondContact O-N 3.47Å; S260-E263 WeakPolarHBondContact O-CA 3.47Å; S260-E263 WeakPolarHBondContact O-CB 3.39Å; S260-E263 PolarHBondContact O-N 3.49Å; S260-L264 PolarHBondContact O-N 2.95Å
261V62.9Low67.9Low123 Ų12382.9 Ų82.975%0.74544%0.435SS*.Hα-helixtrans-56.8-32.7174-178.50000112E263 L264 A265V261-E263 VanDerWaalsContact C-N 3.26Å; V261-E263 PolarHBondContact O-N 2.99Å; V261-L264 PolarHBondContact O-N 3.43Å; V261-A265 PolarHBondContact O-N 3.31Å
262A60.1Low67.4Low64 Ų6483.5 Ų83.553%0.52943%0.43SS..Hα-helixtrans-65.3-28.9173.700000113S260 A265 L266S260-A262 PolarHBondContact O-N 3.47Å; A262-A265 WeakPolarHBondContact O-CB 3.44Å; A262-A265 PolarHBondContact O-N 3.22Å; A262-L266 WeakPolarHBondContact O-CG 3.36Å; A262-L266 PolarHBondContact O-N 3.19Å
263E58.3Low67.5Low10 Ų1083.9 Ų83.95%0.04743%0.432CS..Hα-helixtrans-73.2-36.3176.3-138.3116-115.200112.3I231 R232 A259 S260 V261 A265 L266 Y267I231-E263 WeakPolarHBondContact CA-OE1 3.4Å; I231-E263 HydrophobicContact CB-CG 4.31Å; I231-E263 HydrophobicContact CG1-CG 3.66Å; R232-E263 PolarHBondContact N-OE1 3.12Å; A259-E263 WeakPolarHBondContact CA-OE2 3.47Å; A259-E263 HydrophobicContact CB-CB 3.97Å; A259-E263 HydrophobicContact CB-CG 4.08Å; S260-E263 WeakPolarHBondContact O-CA 3.47Å; S260-E263 WeakPolarHBondContact O-CB 3.39Å; S260-E263 PolarHBondContact O-N 3.49Å; V261-E263 VanDerWaalsContact C-N 3.26Å; V261-E263 PolarHBondContact O-N 2.99Å; E263-A265 VanDerWaalsContact C-N 3.34Å; E263-L266 WeakPolarHBondContact O-CB 3.13Å; E263-L266 PolarHBondContact O-N 2.67Å; E263-Y267 PolarHBondContact O-N 3.36Å
264L61.4Low67.3Low102 Ų10287.1 Ų87.153%0.53445%0.453SS..Hα-helixtrans-68.5-33171.6-71.1157.3000111.3S260 V261 Y267S260-L264 PolarHBondContact O-N 2.95Å; V261-L264 PolarHBondContact O-N 3.43Å; L264-Y267 WeakPolarHBondContact O-CB 3.38Å; L264-Y267 PolarHBondContact O-N 2.71Å
265A59.1Low67.2Low58 Ų5884.3 Ų84.348%0.47944%0.435SS..Hα-helixtrans-66.1-39.7169.200000112.2V261 A262 E263 Y267 H268V261-A265 PolarHBondContact O-N 3.31Å; A262-A265 WeakPolarHBondContact O-CB 3.44Å; A262-A265 PolarHBondContact O-N 3.22Å; E263-A265 VanDerWaalsContact C-N 3.34Å; A265-Y267 VanDerWaalsContact C-N 3.3Å; A265-Y267 PolarHBondContact O-N 3.06Å; A265-H268 PolarHBondContact O-N 3.41Å
266L60.5Low67.4Low58 Ų5884.1 Ų84.130%0.30445%0.45SS..Hα-helixtrans-64.2-30.7174.2-73.4170.6000112.9A262 E263 H268 Q269 T270A262-L266 WeakPolarHBondContact O-CG 3.36Å; A262-L266 PolarHBondContact O-N 3.19Å; E263-L266 WeakPolarHBondContact O-CB 3.13Å; E263-L266 PolarHBondContact O-N 2.67Å; L266-H268 VanDerWaalsContact C-N 3.3Å; L266-H268 PolarHBondContact O-N 3.38Å; L266-Q269 PolarHBondContact O-N 3.37Å; L266-Q269 VanDerWaalsContact O-N 3.16Å; L266-T270 WeakPolarHBondContact O-CB 3.25Å; L266-T270 VanDerWaalsContact O-CG2 3.31Å; L266-T270 WeakPolarHBondContact O-CG2 3.43Å; L266-T270 PolarHBondContact O-N 3.16Å; L266-T270 PolarHBondContact O-OG1 3.34Å
267Y57.8Low67.8Low93 Ų9382.9 Ų82.937%0.36547%0.467SS..Hα-helixtrans-56.7-40.7176.1-179.6-103.4000112.5V250 E263 L264 A265 Q269 L271V250-Y267 HydrophobicContact CB-CD2 3.99Å; V250-Y267 HydrophobicContact CG2-CD2 4.06Å; E263-Y267 PolarHBondContact O-N 3.36Å; L264-Y267 WeakPolarHBondContact O-CB 3.38Å; L264-Y267 PolarHBondContact O-N 2.71Å; A265-Y267 VanDerWaalsContact C-N 3.3Å; A265-Y267 PolarHBondContact O-N 3.06Å; Y267-Q269 PolarHBondContact O-N 3.38Å; Y267-L271 HydrophobicContact CD1-CD1 4.21Å; Y267-L271 HydrophobicContact CD2-CD1 4.15Å; Y267-L271 HydrophobicContact CD2-CG 4.38Å; Y267-L271 HydrophobicContact CE1-CD1 3.75Å; Y267-L271 HydrophobicContact CE2-CD1 3.7Å; Y267-L271 HydrophobicContact CE2-CD2 4.47Å; Y267-L271 HydrophobicContact CE2-CG 4.25Å; Y267-L271 HydrophobicContact CG-CD1 4.4Å; Y267-L271 VanDerWaalsContact CZ-CD1 3.49Å; Y267-L271 WeakPolarHBondContact O-CG 3.41Å; Y267-L271 PolarHBondContact O-N 3.36Å
268H58.7Low68.8Low138 Ų13876.3 Ų76.364%0.63943%0.433SS*.Hα-helixtrans-68.9-34.1178.5-162.8-94000112.8A265 L266 H272A265-H268 PolarHBondContact O-N 3.41Å; L266-H268 VanDerWaalsContact C-N 3.3Å; L266-H268 PolarHBondContact O-N 3.38Å; H268-H272 PolarHBondContact O-ND1 2.86Å
269Q57.5Low70.1Confident146 Ų14670.2 Ų70.268%0.68242%0.421SS*.Hα-helixtrans-84.4-26.7-177.9-61.1-175.8700113.6L266 Y267L266-Q269 PolarHBondContact O-N 3.37Å; L266-Q269 VanDerWaalsContact O-N 3.16Å; Y267-Q269 PolarHBondContact O-N 3.38Å
270T59.7Low71.4Confident63 Ų6369.6 Ų69.639%0.38742%0.416SS..Hα-helixtrans-95.3-15.3-173.7540000114.9L266L266-T270 WeakPolarHBondContact O-CB 3.25Å; L266-T270 VanDerWaalsContact O-CG2 3.31Å; L266-T270 WeakPolarHBondContact O-CG2 3.43Å; L266-T270 PolarHBondContact O-N 3.16Å; L266-T270 PolarHBondContact O-OG1 3.34Å
271L65.7Low72.5Confident52 Ų5275.7 Ų75.727%0.27243%0.43SS..SBendtrans-78.6-26.9175.5-74.8-176.8000113.8Y267 R292Y267-L271 HydrophobicContact CD1-CD1 4.21Å; Y267-L271 HydrophobicContact CD2-CD1 4.15Å; Y267-L271 HydrophobicContact CD2-CG 4.38Å; Y267-L271 HydrophobicContact CE1-CD1 3.75Å; Y267-L271 HydrophobicContact CE2-CD1 3.7Å; Y267-L271 HydrophobicContact CE2-CD2 4.47Å; Y267-L271 HydrophobicContact CE2-CG 4.25Å; Y267-L271 HydrophobicContact CG-CD1 4.4Å; Y267-L271 VanDerWaalsContact CZ-CD1 3.49Å; Y267-L271 WeakPolarHBondContact O-CG 3.41Å; Y267-L271 PolarHBondContact O-N 3.36Å; L271-R292 VanDerWaalsContact CD2-NH1 3.25Å
272H74.6Confident73.7Confident83 Ų8371.2 Ų71.238%0.38441%0.409SS..SBendtrans-96161.6-175.8-61104.8000111.7H268H268-H272 PolarHBondContact O-ND1 2.86Å
273C87.1Confident75.3Confident8 Ų869.6 Ų69.65%0.05439%0.391CS..  trans-66.2136.6170.2-179.30000109.8T275 C278 H291 C297C273-T275 PolarHBondContact O-N 3.14Å; C273-T275 PolarHBondContact SG-OG1 2.72Å; C273-C278 HydrophobicContact CB-CB 4.1Å; C273-H291 VanDerWaalsContact CB-NE2 3.32Å; C273-H291 WeakPolarHBondContact CB-NE2 3.34Å; C273-H291 VanDerWaalsContact SG-CD2 3.58Å; C273-C297 VanDerWaalsContact SG-CB 3.55Å; C273-C297 VanDerWaalsContact SG-SG 3.67Å
274P86.4Confident76.8Confident68 Ų6871.3 Ų71.344%0.44240%0.402SS..SBendtrans-68.113.9176.330.2-38.8000114.5R292 F294P274-R292 WeakPolarHBondContact CD-O 3.48Å; P274-F294 HydrophobicContact CB-CD2 4.44Å; P274-F294 HydrophobicContact CB-CE1 4.34Å; P274-F294 HydrophobicContact CB-CE2 3.76Å; P274-F294 HydrophobicContact CB-CZ 3.7Å; P274-F294 HydrophobicContact CG-CD1 4.35Å; P274-F294 HydrophobicContact CG-CD2 3.69Å; P274-F294 HydrophobicContact CG-CE1 4.18Å; P274-F294 HydrophobicContact CG-CE2 3.5Å; P274-F294 HydrophobicContact CG-CG 4.12Å; P274-F294 HydrophobicContact CG-CZ 3.77Å; P274-F294 VanDerWaalsContact O-CE1 3.32Å; P274-F294 WeakPolarHBondContact O-CE1 3.47Å; P274-F294 WeakPolarHBondContact O-CZ 3.48Å
275T86.3Confident78.2Confident11 Ų1171.8 Ų71.87%0.06741%0.405CS..SBendtrans-91.9117.3172.9-56.20000108.8C273 G277 C278 F294 L299 A300C273-T275 PolarHBondContact O-N 3.14Å; C273-T275 PolarHBondContact SG-OG1 2.72Å; T275-G277 PolarHBondContact O-N 3.07Å; T275-C278 HydrophobicContact CG2-CB 4.27Å; T275-C278 WeakPolarHBondContact O-CB 3.49Å; T275-C278 PolarHBondContact O-N 2.86Å; T275-F294 VanDerWaalsContact OG1-CD1 3.3Å; T275-F294 WeakPolarHBondContact OG1-CD1 3.42Å; T275-F294 WeakPolarHBondContact OG1-CE1 3.37Å; T275-L299 HydrophobicContact CG2-CB 4.18Å; T275-A300 HydrophobicContact CG2-CB 4.45Å
276P86.7Confident79.3Confident123 Ų12375.9 Ų75.980%0.79942%0.419SS*.THydrogen-bonded Turntrans-53.1137.6177.3-27.935.9000112.2C278P276-C278 VanDerWaalsContact C-N 3.27Å; P276-C278 PolarHBondContact O-N 3.5Å
277G84.8Confident80.6Confident78 Ų7880.3 Ų80.380%0.80444%0.442SS*.THydrogen-bonded Turntrans72.59.5-175.200000115.3T275T275-G277 PolarHBondContact O-N 3.07Å
278C90.9Very high82Confident14 Ų1484.1 Ų84.110%0.09546%0.456CS..  trans-100.5118.6178.7-162.60000113.5C273 T275 P276 G280 H291 C297 L299C273-C278 HydrophobicContact CB-CB 4.1Å; T275-C278 HydrophobicContact CG2-CB 4.27Å; T275-C278 WeakPolarHBondContact O-CB 3.49Å; T275-C278 PolarHBondContact O-N 2.86Å; P276-C278 VanDerWaalsContact C-N 3.27Å; P276-C278 PolarHBondContact O-N 3.5Å; C278-G280 PolarHBondContact O-N 3.02Å; C278-G280 VanDerWaalsContact O-N 3.15Å; C278-H291 PolarHBondContact SG-CE1 3.33Å; C278-H291 PolarHBondContact SG-NE2 3.17Å; C278-C297 PolarHBondContact SG-SG 2.85Å; C278-L299 HydrophobicContact CB-CD1 3.85Å
279T88Confident83.4Confident101 Ų10182.5 Ų82.562%0.6246%0.461SS*.  trans-76.39179.256.50000114.8R281T279-R281 PolarHBondContact O-N 3.4Å; T279-R281 VanDerWaalsContact O-N 3.09Å
280G87.7Confident84.9Confident7 Ų778.7 Ų78.77%0.07245%0.45CS..SBendtrans68.11.6-177.300000115.5C278 S290 H291C278-G280 PolarHBondContact O-N 3.02Å; C278-G280 VanDerWaalsContact O-N 3.15Å; G280-S290 CarbonylContact O-C 3.22Å; G280-S290 WeakPolarHBondContact O-CA 3.38Å; G280-S290 WeakPolarHBondContact O-CB 3.36Å; G280-H291 VanDerWaalsContact C-CE1 3.46Å; G280-H291 WeakPolarHBondContact CA-O 3.21Å; G280-H291 PolarHBondContact O-N 3.44Å; G280-H291 PolarHBondContact O-ND1 3.39Å
281R88.2Confident86.4Confident189 Ų18976.2 Ų76.271%0.71343%0.434SS*.BIsolated β-bridgetrans-83.7151.1178.8-68.3179.9174.4164.4-1.2112.5T279 H291T279-R281 PolarHBondContact O-N 3.4Å; T279-R281 VanDerWaalsContact O-N 3.09Å; R281-H291 PolarHBondContact O-CE1 3.06Å; R281-H291 VanDerWaalsContact O-CE1 3.25Å; R281-H291 PolarHBondContact O-ND1 3.4Å
282G88Confident87.5Confident30 Ų3080.8 Ų80.831%0.30945%0.448SS..SBendtrans71.4-179.7-174.100000114R288 S289 S290 H291G282-R288 CarbonylContact C-O 3.46Å; G282-S289 PolarHBondContact N-O 3.42Å; G282-S290 CarbonylContact O-C 3.56Å; G282-S290 VanDerWaalsContact O-C 3.23Å; G282-S290 WeakPolarHBondContact O-CA 3.48Å; G282-H291 PolarHBondContact O-N 3.42Å; G282-H291 PolarHBondContact O-ND1 2.84Å
283H93.8Very high88.1Confident30 Ų3077.5 Ų77.514%0.13943%0.434CS..  trans-153.3151.3174.2-164.6-77.1000110.5N285 N286 R288 G296H283-N285 PolarHBondContact ND1-N 3.29Å; H283-N285 PolarHBondContact O-N 3.12Å; H283-N286 PolarHBondContact O-N 3.23Å; H283-R288 HydrophobicContact CB-CB 3.74Å; H283-R288 VanDerWaalsContact CB-O 3.22Å; H283-R288 WeakPolarHBondContact CB-O 3.34Å; H283-R288 PolarHBondContact N-O 3.42Å; H283-G296 CarbonylContact C-O 3.54Å; H283-G296 VanDerWaalsContact CA-O 3.29Å; H283-G296 WeakPolarHBondContact CA-O 3.41Å
284V90.2Very high88.1Confident46 Ų4681.9 Ų81.928%0.27945%0.452SS..THydrogen-bonded Turntrans-58.1-14.5178.2-69.50000116.2S295 G296 C297 S301V284-S295 WeakPolarHBondContact CG2-O 3.31Å; V284-G296 PolarHBondContact N-O 3.34Å; V284-C297 VanDerWaalsContact CG1-C 3.44Å; V284-C297 VanDerWaalsContact CG1-O 3.25Å; V284-C297 WeakPolarHBondContact CG1-O 3.47Å; V284-S301 VanDerWaalsContact CG1-CB 3.49Å
285N89.8Confident88.2Confident111 Ų11182.9 Ų82.959%0.59446%0.461SS*.THydrogen-bonded Turntrans-106.51.1-178.3-69.519.7000111.9H283 N287H283-N285 PolarHBondContact ND1-N 3.29Å; H283-N285 PolarHBondContact O-N 3.12Å; N285-N287 PolarHBondContact O-N 3.11Å; N285-N287 PolarHBondContact O-OD1 3.1Å; N285-N287 VanDerWaalsContact O-OD1 3.11Å
286N82.8Confident88.3Confident145 Ų14582.4 Ų82.478%0.77546%0.459SS*.SBendtrans58.1-29-168.5-6830.7000116.5H283 R288H283-N286 PolarHBondContact O-N 3.23Å; N286-R288 PolarHBondContact O-N 2.96Å
287N88.1Confident88.5Confident150 Ų15076.6 Ų76.680%0.80242%0.421SS*.SBendtrans-669.1-178.4-60.38.2000115.3N285N285-N287 PolarHBondContact O-N 3.11Å; N285-N287 PolarHBondContact O-OD1 3.1Å; N285-N287 VanDerWaalsContact O-OD1 3.11Å
288R86.2Confident88.8Confident173 Ų17374.6 Ų74.665%0.65339%0.394SS*.  trans-144.6135.2177-63.7-176.4179.4-172-1.4110G282 H283 N286 S290G282-R288 CarbonylContact C-O 3.46Å; H283-R288 HydrophobicContact CB-CB 3.74Å; H283-R288 VanDerWaalsContact CB-O 3.22Å; H283-R288 WeakPolarHBondContact CB-O 3.34Å; H283-R288 PolarHBondContact N-O 3.42Å; N286-R288 PolarHBondContact O-N 2.96Å; R288-S290 VanDerWaalsContact C-N 3.3Å; R288-S290 PolarHBondContact O-N 3.24Å
289S88.3Confident88.7Confident105 Ų10576.8 Ų76.873%0.73440%0.404SS*.SBendtrans-79.2-8.1-179.755.40000114.3G282G282-S289 PolarHBondContact N-O 3.42Å
290S89.7Confident88.8Confident66 Ų6672.3 Ų72.346%0.46238%0.378SS..BIsolated β-bridgetrans-150161.9179.359.50000113.2G280 G282 R288G280-S290 CarbonylContact O-C 3.22Å; G280-S290 WeakPolarHBondContact O-CA 3.38Å; G280-S290 WeakPolarHBondContact O-CB 3.36Å; G282-S290 CarbonylContact O-C 3.56Å; G282-S290 VanDerWaalsContact O-C 3.23Å; G282-S290 WeakPolarHBondContact O-CA 3.48Å; R288-S290 VanDerWaalsContact C-N 3.3Å; R288-S290 PolarHBondContact O-N 3.24Å
291H91.9Very high88.8Confident10 Ų1074.9 Ų74.95%0.04639%0.394CS..  trans-148.6158.7175.666.7-79.6000110.4C273 C278 G280 R281 G282 C297C273-H291 VanDerWaalsContact CB-NE2 3.32Å; C273-H291 WeakPolarHBondContact CB-NE2 3.34Å; C273-H291 VanDerWaalsContact SG-CD2 3.58Å; C278-H291 PolarHBondContact SG-CE1 3.33Å; C278-H291 PolarHBondContact SG-NE2 3.17Å; G280-H291 VanDerWaalsContact C-CE1 3.46Å; G280-H291 WeakPolarHBondContact CA-O 3.21Å; G280-H291 PolarHBondContact O-N 3.44Å; G280-H291 PolarHBondContact O-ND1 3.39Å; R281-H291 PolarHBondContact O-CE1 3.06Å; R281-H291 VanDerWaalsContact O-CE1 3.25Å; R281-H291 PolarHBondContact O-ND1 3.4Å; G282-H291 PolarHBondContact O-N 3.42Å; G282-H291 PolarHBondContact O-ND1 2.84Å; H291-C297 WeakPolarHBondContact CD2-CA 3.12Å; H291-C297 VanDerWaalsContact CD2-CB 3.46Å; H291-C297 WeakPolarHBondContact CD2-CB 3.41Å; H291-C297 WeakPolarHBondContact NE2-CA 3.08Å; H291-C297 WeakPolarHBondContact NE2-CB 3.27Å; H291-C297 PolarHBondContact NE2-SG 3.08Å
292R88.8Confident88.5Confident148 Ų14872 Ų7256%0.55838%0.384SS*.  trans-127.8-1.9-178.8-62.4-179.5-176.3-127.1-1.5114.4L271 P274L271-R292 VanDerWaalsContact CD2-NH1 3.25Å; P274-R292 WeakPolarHBondContact CD-O 3.48Å
293S86.8Confident88.2Confident15 Ų1574.3 Ų74.311%0.10539%0.389CS..SBendtrans-138.7165.9-172.952.60000112E226 S295 G296 C297E226-S293 WeakPolarHBondContact OE1-CB 3.44Å; E226-S293 PolarHBondContact OE1-OG 3.08Å; S293-S295 PolarHBondContact O-N 3.24Å; S293-S295 PolarHBondContact OG-OG 3.03Å; S293-G296 PolarHBondContact O-N 3.11Å; S293-C297 WeakPolarHBondContact O-CB 3.43Å; S293-C297 PolarHBondContact O-N 3.3Å
294F86.7Confident87.4Confident99 Ų9980.4 Ų80.443%0.43441%0.41SS..THydrogen-bonded Turntrans-61.1-27.9-177.3-71.9-67.3000114.2P274 T275 A300P274-F294 HydrophobicContact CB-CD2 4.44Å; P274-F294 HydrophobicContact CB-CE1 4.34Å; P274-F294 HydrophobicContact CB-CE2 3.76Å; P274-F294 HydrophobicContact CB-CZ 3.7Å; P274-F294 HydrophobicContact CG-CD1 4.35Å; P274-F294 HydrophobicContact CG-CD2 3.69Å; P274-F294 HydrophobicContact CG-CE1 4.18Å; P274-F294 HydrophobicContact CG-CE2 3.5Å; P274-F294 HydrophobicContact CG-CG 4.12Å; P274-F294 HydrophobicContact CG-CZ 3.77Å; P274-F294 VanDerWaalsContact O-CE1 3.32Å; P274-F294 WeakPolarHBondContact O-CE1 3.47Å; P274-F294 WeakPolarHBondContact O-CZ 3.48Å; T275-F294 VanDerWaalsContact OG1-CD1 3.3Å; T275-F294 WeakPolarHBondContact OG1-CD1 3.42Å; T275-F294 WeakPolarHBondContact OG1-CE1 3.37Å; F294-A300 HydrophobicContact CD1-CB 4.08Å
295S88.4Confident86.6Confident89 Ų8981 Ų8162%0.62242%0.417SS*.THydrogen-bonded Turntrans-71.4-44.117848.60000111.6V284 S293 C297V284-S295 WeakPolarHBondContact CG2-O 3.31Å; S293-S295 PolarHBondContact O-N 3.24Å; S293-S295 PolarHBondContact OG-OG 3.03Å; S295-C297 VanDerWaalsContact C-N 3.28Å; S295-C297 PolarHBondContact O-N 3.3Å
296G88.5Confident85.8Confident2 Ų284 Ų842%0.02142%0.42CS..THydrogen-bonded Turntrans-72.9-16.3177.600000114.5H283 V284 S293H283-G296 CarbonylContact C-O 3.54Å; H283-G296 VanDerWaalsContact CA-O 3.29Å; H283-G296 WeakPolarHBondContact CA-O 3.41Å; V284-G296 PolarHBondContact N-O 3.34Å; S293-G296 PolarHBondContact O-N 3.11Å
297C91.8Very high84.9Confident0 Ų084.2 Ų84.20%042%0.416CS..  trans-81119.1-165.9-175.10000115C273 C278 V284 H291 S293 S295 L299 A300 S301C273-C297 VanDerWaalsContact SG-CB 3.55Å; C273-C297 VanDerWaalsContact SG-SG 3.67Å; C278-C297 PolarHBondContact SG-SG 2.85Å; V284-C297 VanDerWaalsContact CG1-C 3.44Å; V284-C297 VanDerWaalsContact CG1-O 3.25Å; V284-C297 WeakPolarHBondContact CG1-O 3.47Å; H291-C297 WeakPolarHBondContact CD2-CA 3.12Å; H291-C297 VanDerWaalsContact CD2-CB 3.46Å; H291-C297 WeakPolarHBondContact CD2-CB 3.41Å; H291-C297 WeakPolarHBondContact NE2-CA 3.08Å; H291-C297 WeakPolarHBondContact NE2-CB 3.27Å; H291-C297 PolarHBondContact NE2-SG 3.08Å; S293-C297 WeakPolarHBondContact O-CB 3.43Å; S293-C297 PolarHBondContact O-N 3.3Å; S295-C297 VanDerWaalsContact C-N 3.28Å; S295-C297 PolarHBondContact O-N 3.3Å; C297-L299 VanDerWaalsContact C-N 3.26Å; C297-L299 PolarHBondContact O-N 3.24Å; C297-L299 PolarHBondContact SG-N 3.37Å; C297-A300 HydrophobicContact CB-CB 3.7Å; C297-A300 PolarHBondContact O-N 2.84Å; C297-A300 PolarHBondContact SG-N 3.04Å; C297-A300 VanDerWaalsContact SG-N 3.35Å; C297-S301 WeakPolarHBondContact O-CB 3.46Å; C297-S301 PolarHBondContact O-N 3.25Å
298P91.4Very high83.6Confident37 Ų3782 Ų8224%0.2441%0.412CS..Hα-helixtrans-67.7-24.4177.328.3-33.8000113.1R302P298-R302 WeakPolarHBondContact O-CB 3.33Å; P298-R302 PolarHBondContact O-N 3.25Å
299L88.7Confident82.2Confident60 Ų6082.2 Ų82.231%0.31442%0.418SS..Hα-helixtrans-74.9-46.9173-59.6-175000111.4T275 C278 C297 S301 R302 N303T275-L299 HydrophobicContact CG2-CB 4.18Å; C278-L299 HydrophobicContact CB-CD1 3.85Å; C297-L299 VanDerWaalsContact C-N 3.26Å; C297-L299 PolarHBondContact O-N 3.24Å; C297-L299 PolarHBondContact SG-N 3.37Å; L299-S301 PolarHBondContact O-N 2.85Å; L299-R302 PolarHBondContact O-N 3.27Å; L299-N303 PolarHBondContact O-N 3.3Å
300A89Confident80.3Confident7 Ų785.8 Ų85.86%0.05842%0.415CS..Hα-helixtrans-62.1-42.9178.300000112.2T275 F294 C297 R302 N303 R304T275-A300 HydrophobicContact CG2-CB 4.45Å; F294-A300 HydrophobicContact CD1-CB 4.08Å; C297-A300 HydrophobicContact CB-CB 3.7Å; C297-A300 PolarHBondContact O-N 2.84Å; C297-A300 PolarHBondContact SG-N 3.04Å; C297-A300 VanDerWaalsContact SG-N 3.35Å; A300-R302 PolarHBondContact O-N 3.35Å; A300-N303 PolarHBondContact O-N 3.38Å; A300-R304 WeakPolarHBondContact O-CG 3.35Å; A300-R304 PolarHBondContact O-N 3.39Å
301S86.7Confident78.2Confident60 Ų6088.3 Ų88.342%0.4243%0.43SS..Hα-helixtrans-60.6-43.5175.7-179.10000112.1V284 C297 L299 N303 R304 S305V284-S301 VanDerWaalsContact CG1-CB 3.49Å; C297-S301 WeakPolarHBondContact O-CB 3.46Å; C297-S301 PolarHBondContact O-N 3.25Å; L299-S301 PolarHBondContact O-N 2.85Å; S301-N303 VanDerWaalsContact C-N 3.32Å; S301-N303 PolarHBondContact O-N 3.14Å; S301-R304 PolarHBondContact O-N 3.33Å; S301-S305 PolarHBondContact O-N 2.86Å; S301-S305 PolarHBondContact O-OG 3.18Å
302R82.9Confident76Confident130 Ų13095.6 Ų95.649%0.49147%0.469SS..Hα-helixtrans-64.6-33.9174.8-169.3178.7-63.8124.40.3113P298 L299 A300 S305 R306P298-R302 WeakPolarHBondContact O-CB 3.33Å; P298-R302 PolarHBondContact O-N 3.25Å; L299-R302 PolarHBondContact O-N 3.27Å; A300-R302 PolarHBondContact O-N 3.35Å; R302-S305 PolarHBondContact O-OG 3.03Å; R302-S305 VanDerWaalsContact O-OG 3.13Å; R302-R306 WeakPolarHBondContact O-CG 3.45Å; R302-R306 PolarHBondContact O-N 3.29Å; R302-R306 VanDerWaalsContact O-N 3.15Å
303N81.8Confident73.6Confident78 Ų7892.8 Ų92.842%0.41747%0.472SS..Hα-helixtrans-71.5-41.2176.3-70.7-11.2000111.7L299 A300 S301 R306 Q307L299-N303 PolarHBondContact O-N 3.3Å; A300-N303 PolarHBondContact O-N 3.38Å; S301-N303 VanDerWaalsContact C-N 3.32Å; S301-N303 PolarHBondContact O-N 3.14Å; N303-R306 PolarHBondContact O-N 3.14Å; N303-Q307 WeakPolarHBondContact O-CG 3.25Å; N303-Q307 PolarHBondContact O-N 3.18Å
304R76.3Confident71.6Confident157 Ų15798.2 Ų98.259%0.59251%0.507SS*.Hα-helixtrans-60.1-44.9172.9-69.8175.1-175.1-138.7-0.6111.9A300 S301 R306 Q307 S308A300-R304 WeakPolarHBondContact O-CG 3.35Å; A300-R304 PolarHBondContact O-N 3.39Å; S301-R304 PolarHBondContact O-N 3.33Å; R304-R306 VanDerWaalsContact C-N 3.31Å; R304-R306 PolarHBondContact O-N 3.27Å; R304-Q307 PolarHBondContact O-N 3.38Å; R304-S308 PolarHBondContact O-N 3.18Å
305S74.5Confident69.6Low59 Ų59101 Ų10141%0.41352%0.521SS..Hα-helixtrans-70.5-23.2179.767.80000114S301 R302 K309S301-S305 PolarHBondContact O-N 2.86Å; S301-S305 PolarHBondContact O-OG 3.18Å; R302-S305 PolarHBondContact O-OG 3.03Å; R302-S305 VanDerWaalsContact O-OG 3.13Å; S305-K309 WeakPolarHBondContact O-CB 3.23Å; S305-K309 WeakPolarHBondContact O-CG 3.44Å
306R71.6Confident67Low175 Ų175104.8 Ų104.866%0.6653%0.526SS*.Hα-helixtrans-73.6-41.7168.4-77.4175.8169.2-174.5-5.2112.5R302 N303 R304 K309 R310R302-R306 WeakPolarHBondContact O-CG 3.45Å; R302-R306 PolarHBondContact O-N 3.29Å; R302-R306 VanDerWaalsContact O-N 3.15Å; N303-R306 PolarHBondContact O-N 3.14Å; R304-R306 VanDerWaalsContact C-N 3.31Å; R304-R306 PolarHBondContact O-N 3.27Å; R306-K309 PolarHBondContact O-N 2.91Å; R306-K309 VanDerWaalsContact O-N 3.16Å; R306-R310 PolarHBondContact O-N 3.37Å
307Q64.3Low64.9Low148 Ų148110.6 Ų110.669%0.69256%0.556SS**Hα-helixtrans-63.9-43.6176.7-71.9172.2-11.100111.5N303 R304 K309 R310N303-Q307 WeakPolarHBondContact O-CG 3.25Å; N303-Q307 PolarHBondContact O-N 3.18Å; R304-Q307 PolarHBondContact O-N 3.38Å; Q307-K309 PolarHBondContact O-N 2.85Å; Q307-K309 VanDerWaalsContact O-N 3.1Å; Q307-R310 PolarHBondContact O-N 2.9Å
308S60.5Low62.4Low104 Ų104117.5 Ų117.573%0.72759%0.588SS**THydrogen-bonded Turntrans-68.4-1.2174.3-170.20000114.9R304R304-S308 PolarHBondContact O-N 3.18Å
309K57.5Low60.1Low177 Ų177121 Ų12177%0.7761%0.608SS**THydrogen-bonded Turntrans-117.68178.9-77.5-171.6175.2-168.20114.2S305 R306 Q307S305-K309 WeakPolarHBondContact O-CB 3.23Å; S305-K309 WeakPolarHBondContact O-CG 3.44Å; R306-K309 PolarHBondContact O-N 2.91Å; R306-K309 VanDerWaalsContact O-N 3.16Å; Q307-K309 PolarHBondContact O-N 2.85Å; Q307-K309 VanDerWaalsContact O-N 3.1Å
310R48.7Very low57.4Low181 Ų181129.1 Ų129.168%0.68364%0.635SS**SBendtrans-66.5124.1153.5-78.3-173170.8-176-3.2106.9R306 Q307 L312R306-R310 PolarHBondContact O-N 3.37Å; Q307-R310 PolarHBondContact O-N 2.9Å; R310-L312 PolarHBondContact O-N 2.96Å
311P45.2Very low55.2Low119 Ų119137.9 Ų137.977%0.77367%0.674SS**PPolyproline II helixtrans-61.3125.2170.326.4-32000107.6S313P311-S313 PolarHBondContact O-N 3.2Å
312L46Very low53.1Low163 Ų163144.6 Ų144.685%0.85370%0.696SS**PPolyproline II helixtrans-57.3131.8153-80.972000105.3R310R310-L312 PolarHBondContact O-N 2.96Å
313S37.6Very low51.2Low89 Ų89143.4 Ų143.462%0.62271%0.707SS**PPolyproline II helixtrans-56.7138.2170.745.60000108.2P311 Q315P311-S313 PolarHBondContact O-N 3.2Å; S313-Q315 PolarHBondContact O-N 3.2Å
314P45.3Very low49.2Very low129 Ų129146.3 Ų146.384%0.83872%0.723SS**  trans-7179.4176.229.2-34000109K316P314-K316 PolarHBondContact O-N 3.19Å
315Q44.6Very low47.7Very low158 Ų158146.7 Ų146.774%0.73873%0.731SS**  trans-63.2102166.3-82.1-166-2700107.6S313 I317S313-Q315 PolarHBondContact O-N 3.2Å; Q315-I317 PolarHBondContact O-N 3.1Å
316K34Very low46Very low168 Ų168153 Ų15373%0.7375%0.752SS**  trans-70.570.2-177.8-167.9-162.8178.6-145.10110.7P314 E318P314-K316 PolarHBondContact O-N 3.19Å; K316-E318 VanDerWaalsContact C-N 3.29Å; K316-E318 WeakPolarHBondContact CE-OE2 3.48Å; K316-E318 IonicContact NZ-OE2 3.67Å; K316-E318 PolarHBondContact NZ-OE2 2.96Å; K316-E318 PolarHBondContact O-N 3.16Å
317I45.1Very low44.2Very low124 Ų124147.3 Ų147.364%0.63675%0.747SS**  trans-81.782.3172-57.9-176.1000108Q315 T319Q315-I317 PolarHBondContact O-N 3.1Å; I317-T319 HydrophobicContact CG2-CG2 4.15Å; I317-T319 WeakPolarHBondContact CG2-OG1 3.25Å; I317-T319 PolarHBondContact O-N 3.2Å
318E38.1Very low43.2Very low144 Ų144147 Ų14767%0.67376%0.755SS**  trans-82.256.2-178.9-165.8177.1178.400111.3K316K316-E318 VanDerWaalsContact C-N 3.29Å; K316-E318 WeakPolarHBondContact CE-OE2 3.48Å; K316-E318 IonicContact NZ-OE2 3.67Å; K316-E318 PolarHBondContact NZ-OE2 2.96Å; K316-E318 PolarHBondContact O-N 3.16Å
319T43.7Very low41.9Very low110 Ų110148.5 Ų148.568%0.67576%0.755SS**  trans-105.9100.1-179.853.20000112I317 H321I317-T319 HydrophobicContact CG2-CG2 4.15Å; I317-T319 WeakPolarHBondContact CG2-OG1 3.25Å; I317-T319 PolarHBondContact O-N 3.2Å; T319-H321 PolarHBondContact O-N 3.28Å
320R32.2Very low41.2Very low231 Ų231149.6 Ų149.687%0.87276%0.763SS**  trans-48.2129.2172.4-50.7160.7180176.1-2111.9
321H43.7Very low40.7Very low191 Ų191147.8 Ų147.888%0.88476%0.762SS**  trans-138.6127.5142.9-83.7-75.5000109.7T319T319-H321 PolarHBondContact O-N 3.28Å
322K42.2Very low40.7Very low201 Ų201148 Ų14887%0.87477%0.766SS**  trans-95.3172.6175.7-93.1-174173.4-176.40109.9
323S41.8Very low40.3Very low105 Ų105146.5 Ų146.573%0.73476%0.759SS**  trans78.8147.9168.583.80000115.7
324N39.4Very low40.6Very low139 Ų139147.3 Ų147.374%0.74377%0.771SS**  cis-164169.3-21.3-109.2-1.3000108.6
325H44.8Very low40.3Very low166 Ų166146.4 Ų146.477%0.76977%0.768SS**  trans64.5155.7175.6-63.9-79.3000115.2
326F38.8Very low40.2Very low192 Ų192149 Ų14984%0.84278%0.777SS**  cis-143.3144.1-7.9-138.6-83.4000103.4
327G34.5Very low40.3Very low55 Ų55145.9 Ų145.957%0.56778%0.776SS**  cis12688.714.700000109.7
328V44.2Very low40.3Very low141 Ų141149 Ų14986%0.85579%0.785SS**  trans-173.9132.3157.1140.10000107.5
329N33.1Very low40.4Very low136 Ų136150.8 Ų150.873%0.72779%0.791SS**  trans-108.5160.9176.1-59.8-21.9000109.6
330H42.9Very low40.2Very low200 Ų200151.6 Ų151.693%0.92679%0.79SS**  trans-152.6130.1137.2-113.7-73.1000110.8
331E38Very low40.5Very low143 Ų143147.8 Ų147.867%0.66878%0.782SS**  trans-94155.6-179-63.7169.37500111.9N333E331-N333 PolarHBondContact OE1-ND2 3.24Å
332S44.9Very low40.3Very low123 Ų123147.2 Ų147.286%0.8678%0.779SS**  trans-148.8109.314448.50000109.5
333N36.8Very low39.9Very low131 Ų131142 Ų14270%0.70177%0.768SS**  trans-92.8135.4-176.6-63.9-63.1000110.6E331E331-N333 PolarHBondContact OE1-ND2 3.24Å
334A44.5Very low39.7Very low106 Ų106142.4 Ų142.488%0.87677%0.771SS**  trans-151.375.2172.400000111.9
335S38.9Very low39.4Very low110 Ų110140.6 Ų140.677%0.76977%0.769SS**  trans-87.3128.2176.5-56.90000111.4
336F42.7Very low39.1Very low213 Ų213139.5 Ų139.593%0.93477%0.768SS**  trans-137.9115.9165.6-119.5-91.2000111.9
337S36.3Very low39Very low103 Ų103137.2 Ų137.272%0.7277%0.765SS**  trans-137.6119.1-175.3-55.10000111.2
338K44.5Very low39.1Very low189 Ų189139.9 Ų139.982%0.82278%0.775SS**  trans-175.9126.3160.9-100.4144.5-171177.60108.4
339K40.6Very low38.8Very low181 Ų181141.8 Ų141.879%0.78777%0.772SS**  72.8140.9103.2-67.9-166.8175.3-167.20113.7
340I38.5Very low38.9Very low128 Ų128142.4 Ų142.466%0.65677%0.774SS**  cis-157.2164.97.4-122.6173000113.3
341H39.3Very low38.4Very low151 Ų151139.7 Ų139.770%0.69977%0.766SS**  trans-15172.5173.6-52.7-66.3000126.1
342Q38.8Very low38.2Very low178 Ų178138.5 Ų138.583%0.83277%0.771SS**  trans83.6149.5152.3-75.3156.812.800119.1
343S34.9Very low37.5Very low91 Ų91137.9 Ų137.964%0.63677%0.765SS**  cis-178.2147.7-40.144.20000111.2
344S38.1Very low37.3Very low114 Ų114138.3 Ų138.380%0.79777%0.768SS**  trans61.8157.116637.10000117.9
345S32.9Very low36.7Very low102 Ų102138.2 Ų138.271%0.71376%0.761SS**  cis-165.8-167.1-16.352.70000109.9
346L38.9Very low36.4Very low142 Ų142137.8 Ų137.874%0.74376%0.758SS**  trans92.173.3166-52.9-178.6000121.1
347N35Very low35.6Very low144 Ų144136.1 Ų136.177%0.7776%0.757SS**  65.3145.2113.4-64.2-13.4000125.1
348S37.4Very low35.4Very low111 Ų111135 Ų13578%0.77675%0.75SS**  trans83.4136162.680.50000117.6
349K37.7Very low34.6Very low182 Ų182131.4 Ų131.479%0.79174%0.744SS**  cis-160.1135.5-7.4-122175.7-178.7176.70110.4
350L34.7Very low33.9Very low149 Ų149130.6 Ų130.678%0.7875%0.747SS**  trans61.8133.7157.2-51.2164.3000117.1
351N34.3Very low33.5Very low142 Ų142130 Ų13076%0.75976%0.755SS**  cis-149146.5-1-90.9-20.6000110.2
352P33.3Very low32.9Very low118 Ų118129.5 Ų129.577%0.76676%0.762SS**  trans-103.8153.4170.538.3-31.9000113.6
353C29.5Very low32.8Very low110 Ų110126.3 Ų126.374%0.74376%0.76SS**  trans170.1144.8160.5-960000107.5
354N33.4Very low32.8Very low141 Ų141127 Ų12775%0.75476%0.764SS**  cis-156.4166-12.4-107.5-12.4000109.9
355S31.5Very low32.6Very low104 Ų104129.4 Ų129.473%0.72777%0.767SS**  trans3144.9156.8570000121.2
356S31.8Very low32.6Very low101 Ų101130.4 Ų130.471%0.70677%0.772SS**  cis-173.1146.7-1.842.90000112.3
357L26.5Very low32.2Very low177 Ų177129.2 Ų129.293%0.92777%0.765SS**  trans-104.7104.9164.5173.970.9000109.6
358S32.4Very low32.1Very low80 Ų80127.3 Ų127.356%0.55976%0.763SS**  trans-169.8123.5171.747.20000108.2
359T27.1Very low32.1Very low114 Ų114130 Ų13070%0.69977%0.769SS**  67.4121.256.868.90000114.3
360L26.4Very low31.8Very low163 Ų163126.6 Ų126.685%0.85375%0.754SS**  trans67.8157177.9-44.5117000112.9
361S29.5Very low31.7Very low117 Ų117125.3 Ų125.382%0.81875%0.747SS**  cis-142.5-177.812.1-58.90000112.2
362T28Very low31.6Very low140 Ų140128 Ų12886%0.85975%0.752SS**  trans-96.6127.8-17849.10000115.2
363S34.9Very low31.5Very low111 Ų111132 Ų13278%0.77676%0.76SS**  trans-176.412815548.60000108.3
364S36.7Very low31.5Very low104 Ų104132.1 Ų132.173%0.72776%0.763SS**  cis110.781.726.569.30000113
365L32.8Very low31.4Very low165 Ų165134.3 Ų134.386%0.86477%0.768SS**  trans67.6167.6156-68.7162.1000116.9
366P33.9Very low31.3Very low124 Ų124134.5 Ų134.581%0.80577%0.767SS**  cis-116.6-156.14.543.2-30000114.6
367L29.3Very low31.2Very low116 Ų116139.4 Ų139.461%0.60778%0.776SS**  trans-131.997.4-159178.973.1000111.7
368S33Very low31.3Very low104 Ų104139.9 Ų139.973%0.72777%0.774SS**  trans-163.4101.2171.357.50000112.9
369D37.8Very low31.2Very low168 Ų168139.5 Ų139.590%0.89878%0.782SS**  trans-175.3118.2145-101-23.4000108.5
370F30.6Very low31.4Very low110 Ų110142.1 Ų142.148%0.48279%0.79SS.*  trans-149.3152.6-168.6-129.2-62.6000110.9N468 N469 N470F370-N468 WeakPolarHBondContact CZ-OD1 3.33Å; F370-N469 HydrophobicContact CE2-CB 4.44Å; F370-N470 WeakPolarHBondContact CD1-ND2 3.41Å; F370-N470 VanDerWaalsContact CE1-ND2 3.28Å; F370-N470 WeakPolarHBondContact CE1-ND2 3.44Å; F370-N470 WeakPolarHBondContact CG-ND2 3.08Å
371I32.2Very low31.7Very low122 Ų122139.4 Ų139.463%0.62678%0.782SS**  trans71102.1166.7-49.1164.6000116
372K33.8Very low31.8Very low199 Ų199139.7 Ų139.787%0.86578%0.782SS**  trans-172.4100.6136.3-107.2162.7-174.81720111.5
373Q30.2Very low32.1Very low201 Ų201139.3 Ų139.394%0.93978%0.779SS**  trans160.390.1142.4-90177.617.600111.3
374S29Very low31.7Very low114 Ų114140.8 Ų140.880%0.79778%0.778SS**  trans-150.6117.9160.153.80000107.7
375Q32.3Very low31.4Very low186 Ų186144.2 Ų144.287%0.86979%0.787SS**  trans-95.9132.2175.9-78-169.5-23.700110.5
376P28.2Very low31.1Very low108 Ų108144.7 Ų144.770%0.70179%0.79SS**  trans-86.1158.3167.635.7-33.2000111.3
377F31Very low30.8Very low205 Ų205142.4 Ų142.490%0.89978%0.782SS**  trans-124.8144160.1-111.2-92.8000108.9
378Q28.5Very low30.9Very low187 Ų187144.3 Ų144.387%0.87479%0.793SS**  trans-117164.7-167-66.6178.4-54.600113.2
379G29.8Very low30.7Very low72 Ų72148 Ų14874%0.74280%0.796SS**  trans100.5139.7178.800000111.9
380I32.7Very low30.3Very low168 Ų168145.9 Ų145.986%0.86279%0.791SS**  cis-140.4149.712.5-74.3170.4000107.7
381P31.4Very low30.1Very low106 Ų106147.7 Ų147.769%0.68881%0.805SS**  trans-82.6164.8-164.633.5-38.3000115.4
382P31.7Very low29.8Very low124 Ų124150.6 Ų150.681%0.80581%0.813SS**  trans-90.2147172.336-32.7000112.7
383T34Very low29.5Very low131 Ų131148.1 Ų148.180%0.80481%0.809SS**  trans-146.3150.5163.1-1.80000111.8
384D28Very low29.4Very low143 Ų143146.1 Ų146.177%0.76580%0.802SS**  trans-33.3146.1-179-47.1-55000118.5
385L30.4Very low29.2Very low175 Ų175147.9 Ų147.992%0.91680%0.801SS**  -164.4122.2108.5-103.9167.2000112.2
386L26.5Very low28.9Very low175 Ų175146.8 Ų146.892%0.91680%0.796SS**  trans-99.6113.8177.8179.879.7000109.8
387A27.4Very low28.7Very low77 Ų77147.6 Ų147.664%0.63680%0.799SS**  trans-161.2154.617000000114.1
388N30.2Very low28.5Very low156 Ų156146.7 Ų146.783%0.83480%0.797SS**  trans70.573.8157.1-55.3-19.5000119.1
389F29.5Very low28.3Very low182 Ų182143.4 Ų143.480%0.79880%0.795SS**  trans-69.5165.4134.4-83.3-86.8000110.1L391F389-L391 HydrophobicContact CD1-CD1 3.75Å; F389-L391 HydrophobicContact CE1-CD1 4.16Å; F389-L391 HydrophobicContact CG-CD1 4.36Å
390P29.1Very low28.2Very low123 Ų123147.9 Ų147.980%0.79980%0.8SS**  -135.4134.510535.8-26.6000113.9
391L25.9Very low28Very low147 Ų147147 Ų14777%0.7780%0.797SS**  trans-77.7131.3153.5-80.977.3000108.2F389F389-L391 HydrophobicContact CD1-CD1 3.75Å; F389-L391 HydrophobicContact CE1-CD1 4.16Å; F389-L391 HydrophobicContact CG-CD1 4.36Å
392K27.5Very low27.8Very low183 Ų183145.8 Ų145.880%0.79679%0.791SS**  trans-161.5133153-122.1-179.5-179.5179.60111.9
393N27.2Very low27.7Very low147 Ų147146.4 Ų146.479%0.78679%0.788SS**  trans68.1146.9169-45.2-11.6000114.5
394M27.5Very low27.7Very low159 Ų159146.6 Ų146.678%0.78378%0.784SS**  cis-117.7146-3.4-73174.85600111.2
395I24.5Very low27.9Very low152 Ų152144.7 Ų144.778%0.77977%0.773SS**  trans-83.6124159.8-62.5163.5000106.4
396H27.3Very low28.1Very low163 Ų163141.9 Ų141.976%0.75576%0.763SS**  trans-145.9113.8151.5-106.7-82.1000108.7
397T23.1Very low28.3Very low125 Ų125138.8 Ų138.877%0.76775%0.747SS**  trans-98.3113.9177.646.80000109.4
398E27.1Very low28.6Very low185 Ų185141.9 Ų141.986%0.86475%0.749SS**  trans-128.3140158.3-69.6-165.8166.700109.3
399S24.4Very low28.6Very low119 Ų119142 Ų14283%0.83274%0.742SS**  trans-112.7111.3-161.655.50000111.8
400I27.1Very low28.7Very low165 Ų165136.5 Ų136.585%0.84673%0.727SS**  trans-127.3131.4171-56.8-177.5000109.6
401N27.5Very low28.7Very low149 Ų149135.1 Ų135.180%0.79771%0.713SS**  trans-73.2133.2-176.5-81.2-65.6000112.8
402S28.8Very low29.1Very low81 Ų81131.8 Ų131.857%0.56670%0.701SS**  trans-166.982.5153.545.90000113.5N404S402-N404 PolarHBondContact O-N 2.89Å
403N28.5Very low29.3Very low138 Ų138130.2 Ų130.274%0.73870%0.695SS**THydrogen-bonded Turntrans-70.423.7-178.6-74.7-52.8000115.9
404N34.4Very low29.6Very low135 Ų135125.1 Ų125.172%0.72267%0.671SS**THydrogen-bonded Turntrans-105.3-36-172.3-69.1-14.2000114.1S402 V406S402-N404 PolarHBondContact O-N 2.89Å; N404-V406 PolarHBondContact O-N 2.86Å
405L32.2Very low29.9Very low102 Ų102123 Ų12353%0.53466%0.657SS.*Hα-helixtrans-69.4-28.9-171.5-91.1159.5000115.1N407L405-N407 VanDerWaalsContact C-N 3.32Å; L405-N407 PolarHBondContact O-N 3.21Å
406V33.9Very low30.5Very low117 Ų117119.2 Ų119.271%0.70964%0.644SS**Hα-helixtrans-70.3-28-173.9-178.60000112.6N404N404-V406 PolarHBondContact O-N 2.86Å
407N31.9Very low30.9Very low109 Ų109115.8 Ų115.858%0.58363%0.631SS**Hα-helixtrans-79.4-30.5-176.4-66-43.3000113L405 S410 D411L405-N407 VanDerWaalsContact C-N 3.32Å; L405-N407 PolarHBondContact O-N 3.21Å; N407-S410 PolarHBondContact O-OG 3.45Å; N407-S410 VanDerWaalsContact O-OG 3.04Å; N407-D411 PolarHBondContact O-N 2.74Å
408E33.9Very low31.5Very low143 Ų143118 Ų11867%0.66863%0.627SS**Hα-helixtrans-78.7-31-173.7-161.6162-140.300112.7S412E408-S412 PolarHBondContact O-N 3.35Å; E408-S412 PolarHBondContact O-OG 2.96Å; E408-S412 VanDerWaalsContact O-OG 3.11Å
409F29.6Very low32.1Very low157 Ų157115.6 Ų115.669%0.68962%0.619SS**Hα-helixtrans-69.9-40.7172.4-93.3-91.7000113.1D411 S412 F413F409-D411 VanDerWaalsContact C-N 3.32Å; F409-D411 PolarHBondContact O-N 3.11Å; F409-S412 PolarHBondContact O-N 3.04Å; F409-F413 WeakPolarHBondContact O-CB 3.45Å; F409-F413 PolarHBondContact O-N 3.46Å
410S30.8Very low32.7Very low68 Ų68114.9 Ų114.948%0.47661%0.606SS.*Hα-helixtrans-66.3-36.2-179.368.80000112.3N407 S412 S414N407-S410 PolarHBondContact O-OG 3.45Å; N407-S410 VanDerWaalsContact O-OG 3.04Å; S410-S412 VanDerWaalsContact C-N 3.28Å; S410-S412 PolarHBondContact O-N 3.46Å; S410-S414 WeakPolarHBondContact O-CB 3.43Å; S410-S414 PolarHBondContact O-N 3.02Å; S410-S414 VanDerWaalsContact O-N 3.1Å; S410-S414 PolarHBondContact O-OG 3.32Å
411D30.9Very low33.4Very low94 Ų94110.8 Ų110.850%0.50359%0.585SS.*Hα-helixtrans-74-18.7178.5-144.947.5000112.8N407 F409 S414 K415N407-D411 PolarHBondContact O-N 2.74Å; F409-D411 VanDerWaalsContact C-N 3.32Å; F409-D411 PolarHBondContact O-N 3.11Å; D411-S414 PolarHBondContact O-OG 2.97Å; D411-K415 VanDerWaalsContact O-CG 3.31Å; D411-K415 WeakPolarHBondContact O-CG 3.39Å; D411-K415 PolarHBondContact O-NZ 3.38Å; D411-K415 IonicContact OD1-NZ 2.6Å; D411-K415 IonicContact OD2-NZ 2.62Å; D411-K415 PolarHBondContact OD2-NZ 3.46Å
412S32.8Very low33.8Very low77 Ų77107.8 Ų107.854%0.53857%0.574SS.*Hα-helixtrans-88.6-43172.8-62.30000112.3E408 F409 S410 K415 S416E408-S412 PolarHBondContact O-N 3.35Å; E408-S412 PolarHBondContact O-OG 2.96Å; E408-S412 VanDerWaalsContact O-OG 3.11Å; F409-S412 PolarHBondContact O-N 3.04Å; S410-S412 VanDerWaalsContact C-N 3.28Å; S410-S412 PolarHBondContact O-N 3.46Å; S412-K415 PolarHBondContact O-N 2.9Å; S412-S416 PolarHBondContact O-N 3.49Å
413F31.4Very low34.3Very low149 Ų149111 Ų11165%0.65458%0.584SS**Hα-helixtrans-67.3-39.9-178.6-151.1-98.5000112.2F409 S416 L417F409-F413 WeakPolarHBondContact O-CB 3.45Å; F409-F413 PolarHBondContact O-N 3.46Å; F413-S416 WeakPolarHBondContact O-CB 3.33Å; F413-S416 PolarHBondContact O-N 2.98Å; F413-L417 HydrophobicContact CD1-CD1 3.82Å; F413-L417 HydrophobicContact CE1-CD1 3.93Å; F413-L417 PolarHBondContact O-N 2.85Å; F413-L417 VanDerWaalsContact O-N 3.12Å
414S34.3Very low34.6Very low41 Ų41107.4 Ų107.429%0.28757%0.565SS.*Hα-helixtrans-61.4-47.1175.154.40000112.8S410 D411 S416 L417 Y418S410-S414 WeakPolarHBondContact O-CB 3.43Å; S410-S414 PolarHBondContact O-N 3.02Å; S410-S414 VanDerWaalsContact O-N 3.1Å; S410-S414 PolarHBondContact O-OG 3.32Å; D411-S414 PolarHBondContact O-OG 2.97Å; S414-S416 PolarHBondContact O-N 3.44Å; S414-L417 PolarHBondContact O-N 2.91Å; S414-Y418 VanDerWaalsContact O-CD2 3.31Å; S414-Y418 WeakPolarHBondContact O-CD2 3.49Å; S414-Y418 PolarHBondContact O-N 3.42Å
415K33.8Very low34.8Very low114 Ų114107.5 Ų107.550%0.49656%0.564SS.*Hα-helixtrans-62.5-29.2176.8-69.4-175.8-166.387.40113D411 S412 N419D411-K415 VanDerWaalsContact O-CG 3.31Å; D411-K415 WeakPolarHBondContact O-CG 3.39Å; D411-K415 PolarHBondContact O-NZ 3.38Å; D411-K415 IonicContact OD1-NZ 2.6Å; D411-K415 IonicContact OD2-NZ 2.62Å; D411-K415 PolarHBondContact OD2-NZ 3.46Å; S412-K415 PolarHBondContact O-N 2.9Å; K415-N419 PolarHBondContact O-ND2 2.86Å
416S36.5Very low35.1Very low73 Ų73110.2 Ų110.251%0.5158%0.579SS.*Hα-helixtrans-69.5-51.6173-164.10000111.3S412 F413 S414 Y418 N419 L420S412-S416 PolarHBondContact O-N 3.49Å; F413-S416 WeakPolarHBondContact O-CB 3.33Å; F413-S416 PolarHBondContact O-N 2.98Å; S414-S416 PolarHBondContact O-N 3.44Å; S416-Y418 PolarHBondContact O-N 3.26Å; S416-N419 PolarHBondContact O-N 3.49Å; S416-L420 WeakPolarHBondContact O-CD1 3.45Å
417L35.3Very low35.3Very low90 Ų90108 Ų10847%0.47157%0.566SS.*Hα-helixtrans-59.6-44.4179.9-80.8164.6000113.4F413 S414 N419 L420 L421F413-L417 HydrophobicContact CD1-CD1 3.82Å; F413-L417 HydrophobicContact CE1-CD1 3.93Å; F413-L417 PolarHBondContact O-N 2.85Å; F413-L417 VanDerWaalsContact O-N 3.12Å; S414-L417 PolarHBondContact O-N 2.91Å; L417-N419 PolarHBondContact O-N 3.13Å; L417-N419 VanDerWaalsContact O-N 3.08Å; L417-L420 PolarHBondContact O-N 3.41Å; L417-L421 WeakPolarHBondContact O-CD1 3.36Å; L417-L421 PolarHBondContact O-N 2.89Å; L417-L421 VanDerWaalsContact O-N 3.13Å
418Y35.9Very low35.6Very low173 Ų173108.8 Ų108.868%0.67858%0.577SS**Hα-helixtrans-60.6-20.7-179.6-88-68000114.2S414 S416 L421S414-Y418 VanDerWaalsContact O-CD2 3.31Å; S414-Y418 WeakPolarHBondContact O-CD2 3.49Å; S414-Y418 PolarHBondContact O-N 3.42Å; S416-Y418 PolarHBondContact O-N 3.26Å; Y418-L421 HydrophobicContact CD1-CD2 4.34Å; Y418-L421 HydrophobicContact CE1-CD2 4.42Å
419N39.7Very low35.7Very low133 Ų133109.3 Ų109.371%0.71158%0.579SS**Hα-helixtrans-84.4-18.4175.3-74.3-52.4000113.9K415 S416 L417K415-N419 PolarHBondContact O-ND2 2.86Å; S416-N419 PolarHBondContact O-N 3.49Å; L417-N419 PolarHBondContact O-N 3.13Å; L417-N419 VanDerWaalsContact O-N 3.08Å
420L37.3Very low35.9Very low105 Ų105106.2 Ų106.255%0.5557%0.566SS.*Hα-helixtrans-94.7-26.7174.7-77.390.4000113.1S416 L417 P422 N423 L424S416-L420 WeakPolarHBondContact O-CD1 3.45Å; L417-L420 PolarHBondContact O-N 3.41Å; L420-P422 VanDerWaalsContact C-N 3.32Å; L420-P422 WeakPolarHBondContact O-CD 3.43Å; L420-P422 VanDerWaalsContact O-N 3.12Å; L420-N423 PolarHBondContact O-N 3.39Å; L420-L424 VanDerWaalsContact O-CD1 3.28Å; L420-L424 WeakPolarHBondContact O-CD1 3.27Å
421L41.3Very low36.1Very low79 Ų79107.4 Ų107.441%0.41457%0.574SS.*G310 helixtrans-49.8-33.3-177.1-109.267.2000116.7L417 Y418 N423L417-L421 WeakPolarHBondContact O-CD1 3.36Å; L417-L421 PolarHBondContact O-N 2.89Å; L417-L421 VanDerWaalsContact O-N 3.13Å; Y418-L421 HydrophobicContact CD1-CD2 4.34Å; Y418-L421 HydrophobicContact CE1-CD2 4.42Å; L421-N423 PolarHBondContact O-N 3.26Å; L421-N423 VanDerWaalsContact O-N 3.16Å
422P37.1Very low36.5Very low85 Ų85108 Ų10855%0.55258%0.581SS**G310 helixtrans-60.6-24.6-179.9-2736.4000115.4L420L420-P422 VanDerWaalsContact C-N 3.32Å; L420-P422 WeakPolarHBondContact O-CD 3.43Å; L420-P422 VanDerWaalsContact O-N 3.12Å
423N38.8Very low36.3Very low148 Ų148109.7 Ų109.779%0.79158%0.584SS**G310 helixtrans-100-3.5-167.9-69.8-10.6000114.8L420 L421L420-N423 PolarHBondContact O-N 3.39Å; L421-N423 PolarHBondContact O-N 3.26Å; L421-N423 VanDerWaalsContact O-N 3.16Å
424L34.2Very low36.3Very low63 Ų63111.5 Ų111.533%0.3359%0.592SS.*SBendtrans-111.91.6-175-68.891.9000114.4L420 N426 T427 F430L420-L424 VanDerWaalsContact O-CD1 3.28Å; L420-L424 WeakPolarHBondContact O-CD1 3.27Å; L424-N426 PolarHBondContact O-N 3.33Å; L424-N426 VanDerWaalsContact O-N 3.11Å; L424-T427 PolarHBondContact O-OG1 2.81Å; L424-F430 HydrophobicContact CB-CD2 4.29Å; L424-F430 HydrophobicContact CB-CE2 4.01Å; L424-F430 HydrophobicContact CB-CZ 4.32Å; L424-F430 HydrophobicContact CD2-CD2 4.22Å; L424-F430 HydrophobicContact CD2-CE2 3.46Å; L424-F430 VanDerWaalsContact CD2-CE2 3.46Å; L424-F430 HydrophobicContact CD2-CZ 4.1Å; L424-F430 HydrophobicContact CG-CE2 4.37Å
425I39.4Very low36Very low137 Ų137116 Ų11670%0.70361%0.613SS**THydrogen-bonded Turntrans-67.2-13.6-175.5-66.7169000113.3
426N39.2Very low35.5Very low159 Ų159116.2 Ų116.285%0.8563%0.627SS**THydrogen-bonded Turntrans-105.212-175-69.1-23.1000115.2L424L424-N426 PolarHBondContact O-N 3.33Å; L424-N426 VanDerWaalsContact O-N 3.11Å
427T36.8Very low35Very low70 Ų70118.4 Ų118.443%0.42964%0.643SS.*  trans-110.9130.3178.959.50000112.9L424 Q429L424-T427 PolarHBondContact O-OG1 2.81Å; T427-Q429 PolarHBondContact O-N 3.34Å
428P38.1Very low34.6Very low126 Ų126119.9 Ų119.982%0.81866%0.655SS**THydrogen-bonded Turntrans-75.920.6-17733.2-37.6000114
429Q37.8Very low34.1Very low154 Ų154118.3 Ų118.372%0.7266%0.664SS**THydrogen-bonded Turntrans-111.6-1.8-179.2-65.9-178.7-10.900112.7T427 T432T427-Q429 PolarHBondContact O-N 3.34Å; Q429-T432 PolarHBondContact O-OG1 3.47Å
430F31.9Very low33.4Very low93 Ų93119.2 Ų119.241%0.40867%0.667SS.*G310 helixtrans-82.8-9.3-176.9-129.7-108.3000114.5L424 T432 L433L424-F430 HydrophobicContact CB-CD2 4.29Å; L424-F430 HydrophobicContact CB-CE2 4.01Å; L424-F430 HydrophobicContact CB-CZ 4.32Å; L424-F430 HydrophobicContact CD2-CD2 4.22Å; L424-F430 HydrophobicContact CD2-CE2 3.46Å; L424-F430 VanDerWaalsContact CD2-CE2 3.46Å; L424-F430 HydrophobicContact CD2-CZ 4.1Å; L424-F430 HydrophobicContact CG-CE2 4.37Å; F430-T432 VanDerWaalsContact C-N 3.35Å; F430-T432 PolarHBondContact O-N 3.18Å; F430-L433 HydrophobicContact CD2-CD1 4.05Å; F430-L433 HydrophobicContact CE2-CD1 3.83Å; F430-L433 HydrophobicContact CG-CD1 4.5Å; F430-L433 HydrophobicContact CZ-CD1 4.14Å
431S35.3Very low32.9Very low93 Ų93118.8 Ų118.865%0.6568%0.679SS**G310 helixtrans-78.7-10.4-177.549.10000114.9
432T39.5Very low32.2Very low105 Ų105121.5 Ų121.564%0.64469%0.693SS**G310 helixtrans-96.7-12.8-177.751.30000114Q429 F430 F434Q429-T432 PolarHBondContact O-OG1 3.47Å; F430-T432 VanDerWaalsContact C-N 3.35Å; F430-T432 PolarHBondContact O-N 3.18Å; T432-F434 VanDerWaalsContact C-N 3.31Å; T432-F434 PolarHBondContact O-N 3.07Å
433L29.9Very low31.8Very low114 Ų114124.4 Ų124.460%0.59771%0.705SS**THydrogen-bonded Turntrans-77.6-3.4-170.9-82.5165.4000115.9F430F430-L433 HydrophobicContact CD2-CD1 4.05Å; F430-L433 HydrophobicContact CE2-CD1 3.83Å; F430-L433 HydrophobicContact CG-CD1 4.5Å; F430-L433 HydrophobicContact CZ-CD1 4.14Å
434F31.4Very low31.3Very low187 Ų187123.8 Ų123.882%0.8270%0.701SS**THydrogen-bonded Turntrans-122.92.9-178-86.5-82000115.2T432 C436T432-F434 VanDerWaalsContact C-N 3.31Å; T432-F434 PolarHBondContact O-N 3.07Å; F434-C436 PolarHBondContact O-N 3.45Å
435N26.9Very low31.1Very low135 Ų135128 Ų12872%0.72272%0.722SS**  trans-98.862.7-179.5-73.5-7.8000112.3
436C24.7Very low30.6Very low119 Ų119128.9 Ų128.980%0.80473%0.729SS**  trans-110.8101.7167.2-74.10000110.2F434 T438F434-C436 PolarHBondContact O-N 3.45Å; C436-T438 PolarHBondContact O-N 3.34Å
437S24.7Very low30Very low119 Ų119128.4 Ų128.483%0.83272%0.723SS**  trans-68.1114.3-174.9-52.90000112.9T439S437-T439 PolarHBondContact O-N 3.29Å
438T26.9Very low29.6Very low120 Ų120129.5 Ų129.574%0.73674%0.74SS**  trans-84.998.6167.951.40000110.5C436 I440C436-T438 PolarHBondContact O-N 3.34Å; T438-I440 PolarHBondContact O-N 3.13Å
439T24.9Very low29.1Very low140 Ų140130.8 Ų130.886%0.85974%0.739SS**  trans-70.8105.2168.347.50000109.9S437S437-T439 PolarHBondContact O-N 3.29Å
440I25.1Very low28.7Very low153 Ų153129.9 Ų129.979%0.78574%0.739SS**  trans-85.1129.7176.3-64.2168.7000109.1T438T438-I440 PolarHBondContact O-N 3.13Å
441A28.1Very low28.5Very low95 Ų95135.7 Ų135.779%0.78576%0.76SS**  trans-121.9100.5170.600000109.7
442N26.4Very low28.2Very low136 Ų136139.5 Ų139.573%0.72777%0.767SS**  trans10.7111.9158.6-50.9-15.1000118
443N28Very low27.6Very low147 Ų147142.7 Ų142.779%0.78678%0.78SS**  -173174100.7-89.8-12.6000112.2
444D29.2Very low27.4Very low135 Ų135142.3 Ų142.372%0.72279%0.787SS**  trans63.377.5160.6-53.6-28.5000119N446D444-N446 PolarHBondContact O-N 3.05Å
445I28.4Very low27.3Very low150 Ų150142 Ų14277%0.76979%0.788SS**  37.888119-49.7165000115.1
446N29.1Very low27.3Very low156 Ų156142 Ų14283%0.83479%0.793SS**  trans-178.16.5141.8-101-51.2000116.6D444 A448D444-N446 PolarHBondContact O-N 3.05Å; N446-A448 PolarHBondContact O-N 3.24Å
447M27.2Very low27.4Very low149 Ų149144.2 Ų144.273%0.73480%0.796SS**  trans-8815.8-172.6-94.9-65.2-72.500117.3N449 L450M447-N449 VanDerWaalsContact C-N 3.32Å; M447-N449 PolarHBondContact O-N 3.28Å; M447-N449 VanDerWaalsContact O-N 3.09Å; M447-L450 HydrophobicContact CE-CB 4.1Å; M447-L450 HydrophobicContact CE-CD1 3.91Å; M447-L450 HydrophobicContact SD-CD1 3.83Å
448A27.8Very low27.5Very low94 Ų94148.8 Ų148.878%0.77780%0.796SS**THydrogen-bonded Turntrans-85.654.7179.500000113.7N446N446-A448 PolarHBondContact O-N 3.24Å
449N28.4Very low27.6Very low152 Ų152148 Ų14881%0.81379%0.794SS**THydrogen-bonded Turntrans-1543.4174-101.9-63.6000116.5M447M447-N449 VanDerWaalsContact C-N 3.32Å; M447-N449 PolarHBondContact O-N 3.28Å; M447-N449 VanDerWaalsContact O-N 3.09Å
450L28.9Very low27.6Very low135 Ų135148 Ų14871%0.70779%0.785SS**SBendtrans-103.99.6-174.8-101.9148.7000115.2M447M447-L450 HydrophobicContact CE-CB 4.1Å; M447-L450 HydrophobicContact CE-CD1 3.91Å; M447-L450 HydrophobicContact SD-CD1 3.83Å
451Y28Very low27.7Very low216 Ų216148.4 Ų148.485%0.84779%0.788SS**SBendtrans-121.988.7172.8-91.3-94.5000110.5
452H28.2Very low27.6Very low172 Ų172151.1 Ų151.180%0.79679%0.79SS**SBendtrans-163.4-18.9160.9-121.2-63000118.1
453N26.7Very low27.5Very low173 Ų173149.6 Ų149.693%0.92579%0.79SS**SBendtrans-101.433.6-171.4-76.5-15000115.1
454S27.7Very low27.6Very low106 Ų106147.9 Ų147.974%0.74179%0.789SS**  trans-119.828.9-178.753.30000114.1
455Q27.7Very low27.3Very low181 Ų181147.1 Ų147.185%0.84679%0.794SS**  trans-124.184.5176.3-67.4-170.49.500112.7
456T27.6Very low27.3Very low134 Ų134147.1 Ų147.182%0.82280%0.795SS**SBendtrans-163.6144.1154.5-3.80000111
457L27.3Very low27.1Very low165 Ų165146.2 Ų146.286%0.86479%0.789SS**  trans6950.4167.9-53.4179.7000119
458Y26.2Very low27.3Very low215 Ų215145 Ų14584%0.84379%0.785SS**  trans-95.9139.4132.3-90.6-84000108
459P29Very low27.2Very low105 Ų105144.4 Ų144.468%0.68277%0.769SS**  -142.4-165.182.339.8-23.4000114
460M25.7Very low27.3Very low138 Ų138141 Ų14168%0.6875%0.75SS**SBendtrans96.630.1175.1-53.6-7393.700118.4
461L26.4Very low27.5Very low162 Ų162142.5 Ų142.585%0.84876%0.759SS**  trans-131.775.9148.8-77.1-179.4000110.5
462N26.1Very low27.6Very low153 Ų153138.4 Ų138.482%0.81875%0.752SS**  trans-149.783.1163.9-158.4-1.4000110.1
463S25.1Very low27.8Very low104 Ų104137.2 Ų137.273%0.72775%0.752SS**  trans-153.651.7176.564.40000109.6S465S463-S465 PolarHBondContact O-N 3.1Å
464S28.6Very low28.1Very low110 Ų110133.4 Ų133.477%0.76974%0.739SS**  trans-76.967.1-176.1-57.40000111.7L466S464-L466 PolarHBondContact O-N 3.47Å
465S24.2Very low28.3Very low119 Ų119134.7 Ų134.783%0.83274%0.737SS**  trans-75.767168.762.10000110.3S463S463-S465 PolarHBondContact O-N 3.1Å
466L27.3Very low28.6Very low150 Ų150133.1 Ų133.179%0.78573%0.732SS**  trans-126.974.1176.1-108.3164.9000109.1S464 N468S464-L466 PolarHBondContact O-N 3.47Å; L466-N468 PolarHBondContact O-N 2.8Å
467I25.9Very low28.7Very low138 Ų138134 Ų13471%0.70872%0.724SS**  trans-63.8118.6160.5-61.8168.4000106.4
468N29.8Very low28.8Very low122 Ų122133.4 Ų133.465%0.65272%0.717SS**  trans-151.2124.6154.5-123.9-3.5000109.5F370 L466F370-N468 WeakPolarHBondContact CZ-OD1 3.33Å; L466-N468 PolarHBondContact O-N 2.8Å
469N27.3Very low29.1Very low83 Ų83127.5 Ų127.544%0.44471%0.707SS.*  trans-73.7152.2177.2-59.3-15.3000109.7F370F370-N469 HydrophobicContact CE2-CB 4.44Å
470N29.8Very low29.2Very low79 Ų79128.2 Ų128.242%0.42271%0.714SS.*  16392.2116.1-77.1-27000110.2F370F370-N470 WeakPolarHBondContact CD1-ND2 3.41Å; F370-N470 VanDerWaalsContact CE1-ND2 3.28Å; F370-N470 WeakPolarHBondContact CE1-ND2 3.44Å; F370-N470 WeakPolarHBondContact CG-ND2 3.08Å
471N32.5Very low29.4Very low167 Ų167127.2 Ų127.289%0.89372%0.719SS**  trans-119.1104.9153-81.3-10.4000106.8
472N30.2Very low29.3Very low130 Ų130127.6 Ų127.670%0.69572%0.72SS**  trans-72.5146.2148.2-60.6-23.8000105.6
473D33.1Very low29.3Very low148 Ų148124.5 Ų124.579%0.79171%0.711SS**  -156.9164.269.7-84.6-37.1000113.4
474S33.5Very low29.5Very low93 Ų93126.1 Ų126.165%0.6571%0.711SS**  trans-9.4138160.765.70000117.5
475N31.4Very low29.5Very low132 Ų132127.9 Ų127.971%0.70671%0.71SS**  cis-171165.147.4-118.5-33.6000112.5
476M33.3Very low29.9Very low148 Ų148129 Ų12973%0.72971%0.707SS**  trans45.7101157.3-57.5-55.1169.300118.2
477K30.6Very low29.9Very low153 Ų153131 Ų13167%0.66571%0.712SS**  84.6122.383.5-100.8-176.9157.3-99.10114.2
478E29.5Very low30.3Very low152 Ų152133.6 Ų133.671%0.7172%0.718SS**  trans60.6145.1152-73.2137-137.500119.5
479S32.2Very low30.4Very low92 Ų92132.7 Ų132.764%0.64372%0.721SS**  cis-168.7134.4-25.549.30000110
480S30.2Very low30.7Very low119 Ų119134.8 Ų134.883%0.83274%0.737SS**  trans62.5148.6167.765.70000118.7
481P29.8Very low30.6Very low118 Ų118135.7 Ų135.777%0.76675%0.749SS**  trans-105.5152.5-179.938.8-32.1000113.4
482L25.5Very low30.6Very low169 Ų169135.2 Ų135.289%0.88575%0.746SS**  trans-163.3162.2141.6-112163.3000111.7
483S26Very low30.8Very low88 Ų88137.8 Ų137.862%0.61575%0.751SS**  trans-57.4150.117952.20000114.4
484N28.6Very low30.7Very low139 Ų139136.7 Ų136.774%0.74375%0.752SS**  -170.1140.1129.2-103-28.9000113.8
485I28.8Very low30.7Very low146 Ų146141.2 Ų141.275%0.74976%0.763SS**  trans63.8125.1143.7-60.8164.7000115.6
486L31.7Very low30.7Very low144 Ų144142.4 Ų142.475%0.75477%0.77SS**  cis-152.3134.340.5-177.762.8000112.8
487E28.2Very low30.4Very low190 Ų190143.5 Ų143.589%0.88878%0.775SS**  trans-109.5137.3156.8-86.6-164.4146.400111.1
488K33.9Very low30.4Very low194 Ų194143.9 Ų143.984%0.84378%0.784SS**  trans-176.8133161.2-98.5166.4-174.6179.50104.4
489S32.2Very low30.3Very low102 Ų102145.2 Ų145.271%0.71379%0.788SS**  cis-160.2171.1-1.152.50000106.9
490T33.3Very low30.3Very low127 Ų127146.2 Ų146.278%0.77979%0.792SS**  cis-160.6140.524.1-27.50000111.3
491S28.9Very low30.2Very low98 Ų98149 Ų14969%0.68579%0.789SS**  trans-2.5130.5154.3169.10000120.3
492L32.7Very low30.1Very low157 Ų157148.8 Ų148.882%0.82279%0.79SS**  -167.3117.8111-102.8159.8000114.3
493K33.5Very low30.1Very low184 Ų184148 Ų14880%0.879%0.785SS**  trans19.5132.6161.3-67.1-173.2173.7-169.80122.5
494P30.4Very low30.3Very low126 Ų126150.9 Ų150.982%0.81879%0.794SS**  trans-108.5126.9167.836.8-25.8000114.1
495E33.1Very low30.1Very low188 Ų188151 Ų15188%0.87979%0.794SS**  trans-140.2172.1164.2-68.4-170.7158.400110.3
496D31.6Very low30.2Very low157 Ų157148.9 Ų148.984%0.8480%0.799SS**  trans61.779.9177.1-67.9-13.4000119.7N498D496-N498 PolarHBondContact O-N 3.36Å
497M28.1Very low29.8Very low171 Ų171146.1 Ų146.184%0.84279%0.791SS**  trans-11.7122.4131.3-66.1-83-170.900115.8
498N30.6Very low29.8Very low161 Ų161147.2 Ų147.286%0.86179%0.789SS**  trans-162.1122.8134.5-110.1-53.3000114.1D496D496-N498 PolarHBondContact O-N 3.36Å
499F26.8Very low29.5Very low179 Ų179144.2 Ų144.279%0.78578%0.782SS**  trans-83.9124.7163.5-86.7-101.4000109.2K501F499-K501 PolarHBondContact O-N 3.27Å
500P32.9Very low29.3Very low113 Ų113147 Ų14773%0.73479%0.788SS**  trans-7471.6161.231.6-33.5000110.1C502P500-C502 PolarHBondContact O-N 2.88Å
501K26.6Very low29.1Very low178 Ų178148 Ų14877%0.77479%0.789SS**  trans-69.476.7157.2-88.6-172.4176.2176.60107.9F499 L503F499-K501 PolarHBondContact O-N 3.27Å; K501-L503 PolarHBondContact O-N 3.4Å
502C28.8Very low29Very low114 Ų114149.5 Ų149.577%0.7779%0.788SS**  trans-75.356.3173.3-68.70000111.5P500 N504P500-C502 PolarHBondContact O-N 2.88Å; C502-N504 VanDerWaalsContact C-N 3.33Å; C502-N504 PolarHBondContact O-N 3.27Å
503L26Very low28.9Very low151 Ų151148 Ų14879%0.79179%0.788SS**  trans-80.587.5160.9-144.8167.5000105.1K501K501-L503 PolarHBondContact O-N 3.4Å
504N29.6Very low28.7Very low149 Ų149150.5 Ų150.580%0.79779%0.792SS**  trans-136.5126.7178.4-125.7-18.8000112.4C502 A506C502-N504 VanDerWaalsContact C-N 3.33Å; C502-N504 PolarHBondContact O-N 3.27Å; N504-A506 PolarHBondContact O-N 3.01Å
505N24.5Very low28.4Very low142 Ų142149.8 Ų149.876%0.75979%0.789SS**  trans-64.5113.4-169.8-61.1-45.8000111.9
506A30.6Very low28.3Very low102 Ų102144.5 Ų144.584%0.84379%0.785SS**  trans-112.964.2157.600000109.1N504 Y508N504-A506 PolarHBondContact O-N 3.01Å; A506-Y508 PolarHBondContact O-N 3.44Å
507S24.6Very low28Very low85 Ų85143.4 Ų143.459%0.59478%0.778SS**  trans-59.9127.9161.349.90000109.3
508Y26.9Very low28.1Very low214 Ų214143.2 Ų143.284%0.83978%0.779SS**  trans-175.6145.5137.9-90.8-57.3000111.1A506A506-Y508 PolarHBondContact O-N 3.44Å
509N28.5Very low27.9Very low131 Ų131143.3 Ų143.370%0.70178%0.775SS**  trans61.261.6161-57.8-15.1000118.6N511N509-N511 VanDerWaalsContact C-N 3.26Å; N509-N511 PolarHBondContact O-N 2.98Å
510L26.8Very low28Very low160 Ų160141 Ų14184%0.83877%0.771SS**  trans-60.587.6144.5-100.8162.3000110.1L512L510-L512 VanDerWaalsContact C-N 3.27Å; L510-L512 HydrophobicContact CD2-CD1 4.13Å; L510-L512 PolarHBondContact O-N 3.18Å
511N29.5Very low27.6Very low148 Ų148141 Ų14179%0.79177%0.773SS**  trans-76.578.6172.2-91.5-18.3000111.2N509 P513N509-N511 VanDerWaalsContact C-N 3.26Å; N509-N511 PolarHBondContact O-N 2.98Å; N511-P513 WeakPolarHBondContact O-CD 3.34Å
512L27.7Very low27.8Very low129 Ų129140.3 Ų140.368%0.67577%0.77SS**PPolyproline II helixtrans-66.7122.8160.5-108.968.2000109.6L510 R514L510-L512 VanDerWaalsContact C-N 3.27Å; L510-L512 HydrophobicContact CD2-CD1 4.13Å; L510-L512 PolarHBondContact O-N 3.18Å; L512-R514 PolarHBondContact O-N 3.01Å
513P30.9Very low27.8Very low125 Ų125142.4 Ų142.481%0.81277%0.771SS**PPolyproline II helixtrans-64.8116.8150.428.5-30.2000107.4N511N511-P513 WeakPolarHBondContact O-CD 3.34Å
514R28.7Very low28Very low237 Ų237144.4 Ų144.489%0.89477%0.769SS**PPolyproline II helixtrans-61158-176.6-96.4175.3162.6151.1-8.5112.8L512 G516L512-R514 PolarHBondContact O-N 3.01Å; R514-G516 PolarHBondContact O-N 3.17Å
515C24.1Very low27.9Very low111 Ų111143.5 Ų143.575%0.7576%0.76SS**  trans-32.2114.3164.6-68.20000114.2I517C515-I517 HydrophobicContact CB-CD1 4.48Å; C515-I517 HydrophobicContact CB-CG1 4.22Å
516G30Very low28.2Very low77 Ų77145.1 Ų145.179%0.79476%0.76SS**  trans-98.671.9151.600000109.4R514 L518R514-G516 PolarHBondContact O-N 3.17Å; G516-L518 PolarHBondContact O-N 2.96Å; G516-L518 VanDerWaalsContact O-N 3.12Å
517I25.6Very low28.1Very low135 Ų135147.3 Ų147.369%0.69275%0.753SS**  trans-76.697.6170.2-61.6172.2000106.9C515C515-I517 HydrophobicContact CB-CD1 4.48Å; C515-I517 HydrophobicContact CB-CG1 4.22Å
518L30.7Very low28.5Very low167 Ų167153.7 Ų153.787%0.87477%0.766SS**  trans-117.2125.8158.8-81.7172.7000108.5G516 D520G516-L518 PolarHBondContact O-N 2.96Å; G516-L518 VanDerWaalsContact O-N 3.12Å; L518-D520 PolarHBondContact O-N 2.83Å
519Q26.3Very low28.6Very low163 Ų163155.4 Ų155.476%0.76277%0.771SS**  trans-79117.2175-65.9145.3-92.500108.4
520D28.8Very low28.7Very low131 Ų131152.2 Ų152.270%0.70177%0.769SS**  trans-131.674.3157.2-102.6-36.8000109.4L518 F522L518-D520 PolarHBondContact O-N 2.83Å; D520-F522 HydrophobicContact CB-CD2 4.3Å; D520-F522 PolarHBondContact O-N 2.84Å; D520-F522 WeakPolarHBondContact OD1-CD2 3.42Å; D520-F522 WeakPolarHBondContact OD1-CE2 3.34Å
521S25.5Very low29.1Very low113 Ų113154 Ų15479%0.7977%0.77SS**  trans-77.159.1175-59.60000111.4M523S521-M523 PolarHBondContact O-N 2.95Å
522F30.2Very low29.2Very low162 Ų162154 Ų15471%0.71177%0.765SS**  trans-7479.3175.3-89.5-73.6000112.1D520 Y524D520-F522 HydrophobicContact CB-CD2 4.3Å; D520-F522 PolarHBondContact O-N 2.84Å; D520-F522 WeakPolarHBondContact OD1-CD2 3.42Å; D520-F522 WeakPolarHBondContact OD1-CE2 3.34Å; F522-Y524 PolarHBondContact O-N 3Å
523M27.8Very low29.2Very low158 Ų158156.3 Ų156.378%0.77878%0.777SS**  trans-56.692.7161.9-91.5-73.7168.300110.5S521 H525S521-M523 PolarHBondContact O-N 2.95Å; M523-H525 PolarHBondContact O-N 2.92Å
524Y30Very low29.4Very low194 Ų194156.9 Ų156.976%0.76177%0.772SS**  trans-78.266.3169.3-115.6-73.6000111.7F522 K526F522-Y524 PolarHBondContact O-N 3Å; Y524-K526 VanDerWaalsContact C-N 3.29Å; Y524-K526 PolarHBondContact O-N 2.97Å
525H27.7Very low29.5Very low130 Ų130150.4 Ų150.460%0.60276%0.761SS**  trans-77.270.2-176.2-156.7-97000111.3M523 Q527M523-H525 PolarHBondContact O-N 2.92Å; H525-Q527 VanDerWaalsContact C-N 3.33Å; H525-Q527 PolarHBondContact CE1-NE2 3.36Å; H525-Q527 PolarHBondContact O-N 3.39Å
526K31.7Very low29.7Very low176 Ų176150.7 Ų150.777%0.76576%0.759SS**  trans-77.180.2176.7-94.6-170.3173.3-177.90112.3Y524 Y528Y524-K526 VanDerWaalsContact C-N 3.29Å; Y524-K526 PolarHBondContact O-N 2.97Å; K526-Y528 PolarHBondContact O-N 3Å
527Q28.2Very low29.8Very low148 Ų148155.7 Ų155.769%0.69276%0.759SS**  trans-74108.8162.4-78.1177.5-29.500111.2H525H525-Q527 VanDerWaalsContact C-N 3.33Å; H525-Q527 PolarHBondContact CE1-NE2 3.36Å; H525-Q527 PolarHBondContact O-N 3.39Å
528Y32.5Very low30.2Very low219 Ų219156.4 Ų156.486%0.85976%0.763SS**  trans-13995.6154.5-90.5-90.1000105.9K526K526-Y528 PolarHBondContact O-N 3Å
529R28.8Very low30.3Very low249 Ų249154.1 Ų154.194%0.9476%0.756SS**  5194.275.7-84.4-168.4168.1-167.4-1.4113.6
530G32.1Very low30.6Very low65 Ų65152.8 Ų152.867%0.6775%0.754SS**  trans165.293.5172.300000107.7
531K34.3Very low31Very low196 Ų196151.9 Ų151.985%0.85275%0.753SS**  53.2113.989.7-63.5-173.5179.9-175.70111
532H32.8Very low31.3Very low150 Ų150153 Ų15369%0.69475%0.751SS**  cis-130.8139.618.9-85-115000114I534H532-I534 WeakPolarHBondContact ND1-CD1 3.45Å
533L26.7Very low31.5Very low177 Ų177152.7 Ų152.793%0.92775%0.751SS**  trans-114.4138.5134.3-100.875.4000106.3
534I34.1Very low31.8Very low137 Ų137151.6 Ų151.670%0.70375%0.749SS**  trans-131.3142.5165.9-73.2-175.9000107.3H532H532-I534 WeakPolarHBondContact ND1-CD1 3.45Å
535P31.6Very low32Very low101 Ų101149.4 Ų149.466%0.65675%0.748SS**  trans-121.5172.6-148.943.4-30.8000115
536T29.3Very low32.4Very low116 Ų116149.3 Ų149.371%0.71275%0.751SS**  trans26.6133.6144.658.40000120.7
537K30.6Very low32.5Very low183 Ų183146.5 Ų146.580%0.79675%0.745SS**  171.9160.8108.6-95.4172.3-176.4-175.90112.9
538L34.5Very low32.8Very low149 Ų149146.9 Ų146.978%0.7875%0.751SS**  trans66.2130.2164.4-61.1143.2000115
539V32.1Very low32.9Very low119 Ų119140.4 Ų140.472%0.72174%0.743SS**  cis84.5130.619.4-168.30000114.5
540D34Very low33Very low135 Ų135134.8 Ų134.872%0.72274%0.737SS**  trans86.2120.5170.5-62-28.3000122.4
541T36.2Very low33.1Very low112 Ų112136.4 Ų136.469%0.68774%0.738SS**  trans66.7113.2141.655.10000123.4
542D32.8Very low33.2Very low138 Ų138133.4 Ų133.474%0.73873%0.727SS**  70.2110.3119.4-55.8-6.4000122.6
543Q33.5Very low33.3Very low155 Ų155134.2 Ų134.272%0.72473%0.728SS**  44.2124.4119.6-107.471.8-900122.1
544N34.2Very low33.7Very low135 Ų135130.5 Ų130.572%0.72272%0.717SS**  118.5139.4128.7-70.1-33.9000118.9
545I34.1Very low33.5Very low147 Ų147131.4 Ų131.475%0.75472%0.723SS**  trans70.5134.3141-73.7167.4000117.7
546I37Very low33.5Very low128 Ų128133.6 Ų133.666%0.65674%0.735SS**  cis-165.6157.1-19.2-132.1175.4000110.4
547N33.7Very low33.3Very low118 Ų118135.4 Ų135.463%0.63174%0.739SS**  trans16.6135.1157.4-41-25.3000122.7
548N33.3Very low33.5Very low155 Ų155132.3 Ų132.383%0.82974%0.74SS**  156.5158.8100.4-93.6-34.1000116.8
549A35.2Very low33.2Very low83 Ų83133.6 Ų133.669%0.68674%0.742SS**  trans63130.6164.900000118.7
550T31.5Very low33.3Very low132 Ų132135.3 Ų135.381%0.8175%0.746SS**  cis95.9141.319.771.80000117
551S34.1Very low33.1Very low99 Ų99136 Ų13669%0.69275%0.75SS**  trans73148.4177.6-79.50000117.3
552E36.3Very low33Very low133 Ų133141.7 Ų141.762%0.62176%0.76SS**  cis-162.4158.9-14.6-121.4169121.300114
553K34.6Very low32.8Very low167 Ų167145.4 Ų145.473%0.72676%0.764SS**  trans42.2112.6144.6-74.9166.1-174.8158.40123.7
554S34.2Very low32.8Very low99 Ų99142.1 Ų142.169%0.69276%0.758SS**  74.1129115.176.70000125
555N30.5Very low32.8Very low155 Ų155143.2 Ų143.283%0.82976%0.759SS**  trans78157.7132.1-79.6-1.4000123.4
556V31.7Very low32.6Very low148 Ų148143.7 Ų143.790%0.89776%0.763SS**  trans96.5140.4164.8-167.60000116.7
557L25.3Very low32.4Very low154 Ų154144.7 Ų144.781%0.80678%0.775SS**  trans-114.2141.7-166.8176.481.2000109.8
558S34.1Very low32.2Very low118 Ų118144.1 Ų144.183%0.82578%0.78SS**  trans-155154160.2580000112.5
559Q28.6Very low32.4Very low176 Ų176143.1 Ų143.182%0.82278%0.779SS**  trans-116141.9-178.8-58.7167.3-17.600109.6
560I34.5Very low32.4Very low155 Ų155145.2 Ų145.280%0.79578%0.779SS**  trans-141.8135.2161-59.5-175.7000109.4
561N29.2Very low32.5Very low150 Ų150144.8 Ų144.880%0.80277%0.772SS**  trans-107159.9173.1-75.6-45.6000110.8
562Y34.8Very low32.5Very low230 Ų230146.9 Ų146.990%0.90278%0.775SS**  trans-141.1164.5157.5-107.6-85.4000111.7
563R28.4Very low32.3Very low217 Ų217145.5 Ų145.582%0.81978%0.78SS**  trans-149.9174.8-155.8-179.1177.3161.3144.3-0.5112.2
564S33.8Very low32.2Very low86 Ų86147 Ų14760%0.60179%0.787SS**  trans91.5146.6159.7-58.50000116.3
565E34.1Very low31.9Very low158 Ų158147.6 Ų147.674%0.73879%0.788SS**  cis-159.6-175.4-12.1-122.3141.9-12400112.4
566N29.5Very low31.6Very low156 Ų156148 Ų14883%0.83479%0.788SS**  trans-112.1151.5-166.8-36.8-69.5000115.4
567V32.3Very low31.5Very low150 Ų150146.9 Ų146.991%0.90978%0.778SS**  trans-147150154.6-176.50000109.7
568S31.4Very low31.6Very low105 Ų105146.8 Ų146.873%0.73477%0.773SS**  trans-147.1139.6-174.5570000113.9
569V35.7Very low31.3Very low135 Ų135150.5 Ų150.582%0.81877%0.771SS**  trans-146121163.6-172.10000111.9
570N35.3Very low31.3Very low126 Ų126146.8 Ų146.867%0.67476%0.764SS**  trans-4.2154.1142.2-65.855000119.2
571D35.1Very low30.9Very low124 Ų124147 Ų14766%0.66377%0.766SS**  cis-162.91725.9-120.2-26.7000114.6
572N32.5Very low30.8Very low142 Ų142144.5 Ų144.576%0.75976%0.76SS**  trans86.3127.7158-65.4-46.2000122.8
573S33.5Very low30.8Very low104 Ų104139 Ų13973%0.72775%0.753SS**  trans72.765.5156.249.20000121.2
574F30.9Very low30.9Very low200 Ų200138 Ų13888%0.87776%0.759SS**  45.9140.3115.6-72.2-69.9000122.1
575P28.9Very low30.5Very low111 Ų111140.9 Ų140.972%0.72177%0.766SS**  -130.6145.6-97.238.1-24.9000116.1
576I24.6Very low30.4Very low162 Ų162140.5 Ų140.583%0.83177%0.77SS**  trans-109.5120.3146.9-64.4169.2000106.3
577N28.1Very low30.2Very low126 Ų126137.3 Ų137.367%0.67476%0.76SS**  trans175.1146.5160.7-89.4-26.8000106.5
578Q27.5Very low30Very low152 Ų152141.2 Ų141.271%0.7176%0.76SS**  cis66.5145.845.9-64.6-160.1-7.500114.4
579Y28.2Very low29.9Very low196 Ų196141.7 Ų141.777%0.76976%0.758SS**  trans65.2156.3-179.5-54.2-87000115.9
580S28.1Very low29.7Very low98 Ų98141.3 Ų141.369%0.68575%0.752SS**  cis-167.3142.9-35.454.90000110.9
581L26.5Very low29.5Very low160 Ų160141.7 Ų141.784%0.83875%0.753SS**  trans43.1142.2141.5-139.876.6000122.1
582S26.7Very low29.2Very low96 Ų96140.7 Ų140.767%0.67175%0.748SS**  trans83.2163.1155.6-45.40000116.4
583P35.1Very low29.1Very low116 Ų116141.8 Ų141.875%0.75375%0.746SS**  -137.8162.9-79.436.8-19.4000114.2
584M31.1Very low28.8Very low194 Ų194143 Ų14396%0.95674%0.744SS**  trans-150.8151.3149.8-120.9164.5-173.100112.8
585I26.1Very low28.7Very low147 Ų147141 Ų14175%0.75473%0.732SS**  trans-105.8141.7-179.7-67164.7000107.2
586D30.7Very low28.7Very low150 Ų150140.4 Ų140.480%0.80273%0.73SS**  trans175.289144.9-87.6-13.7000106.6
587S26.1Very low28.8Very low90 Ų90140 Ų14063%0.62973%0.728SS**  6097.385.278.30000114.4
588Y28.9Very low28.8Very low232 Ų232137.9 Ų137.991%0.9172%0.723SS**  trans-150.6133.2133.7-109.9-72.8000109.7
589T29.2Very low28.6Very low114 Ų114138.1 Ų138.170%0.69973%0.729SS**  trans-92.2154.2176.754.90000111
590D31Very low28.6Very low128 Ų128133.2 Ų133.268%0.68472%0.723SS**  -172.6120.2111.7-92.32.1000110.5
591L29.8Very low28.5Very low133 Ų133135.8 Ų135.870%0.69673%0.728SS**  66.1125.9101.6-62.8176.7000113.5
592N29.1Very low28.6Very low103 Ų103134.4 Ų134.455%0.55173%0.731SS**  cis-157.4138.516.6-107.3-53.7000112.1
593K30.1Very low28.6Very low165 Ų165136.3 Ų136.372%0.71773%0.732SS**  trans53.3138.8137.6-60.9166.5179.3125.70120
594N27.7Very low28.4Very low129 Ų129140 Ų14069%0.6974%0.739SS**  cis-165.2172.6-1.4-106-4.9000109.8
595Y29.6Very low28.2Very low159 Ų159137 Ų13762%0.62473%0.726SS**  trans74.2101.1-175-68.2-98.7000113.5N730Y595-N730 WeakPolarHBondContact CD2-ND2 3.47Å; Y595-N730 WeakPolarHBondContact CE2-ND2 3.4Å
596S27.7Very low28.4Very low98 Ų98139.1 Ų139.169%0.68573%0.731SS**  cis72.3133.240-40.10000113.2
597I27.9Very low28.3Very low154 Ų154136.3 Ų136.379%0.7972%0.722SS**  cis-148.8174.60.2-125.7162.6000111
598S27.2Very low28.4Very low82 Ų82140.5 Ų140.557%0.57373%0.732SS**  trans-57.3166.3175.158.30000113.2
599N24Very low28.3Very low156 Ų156134.5 Ų134.583%0.83472%0.723SS**  cis54.7156.550-106.14.1000114.4
600S29.3Very low28.2Very low93 Ų93134.9 Ų134.965%0.6573%0.727SS**  trans55.199.4177.856.60000118.1
601I25.6Very low28.2Very low152 Ų152135.7 Ų135.778%0.77973%0.73SS**  32.4111.5124.4-51.8166.6000116.7I603I601-I603 HydrophobicContact CG2-CG1 4.31Å
602C27.7Very low28.1Very low132 Ų132136.4 Ų136.489%0.89274%0.735SS**  trans-121.9139.7143.5-770000108.7
603I27Very low28.2Very low135 Ų135138.7 Ų138.769%0.69275%0.746SS**  trans-102130.7173.6-63.5165.5000107.2I601I601-I603 HydrophobicContact CG2-CG1 4.31Å
604E30.3Very low28.1Very low194 Ų194135.1 Ų135.191%0.90774%0.742SS**  trans-151.8154.1150.2-127.2167.6-142.900111.4
605N27.4Very low28.3Very low130 Ų130134.9 Ų134.970%0.69574%0.744SS**  trans-108.7140.2-152.8-58.6-63.2000114
606K31Very low28.3Very low193 Ų193135.1 Ų135.184%0.83975%0.751SS**  trans-178.6112.9136.9-97.5147.4-169.5175.50109.1
607S27.9Very low28.3Very low90 Ų90134.5 Ų134.563%0.62975%0.747SS**  52.2118.5100.367.40000112.1
608E28.1Very low28.5Very low179 Ų179135.9 Ų135.984%0.83675%0.747SS**  cis-173.7172.122.6-94.8152.8-159.200104.9
609C27.3Very low28.7Very low105 Ų105138.2 Ų138.271%0.70975%0.753SS**  cis-153.7159.5-8.1-120.70000107.1
610P27.2Very low29.1Very low122 Ų122137.8 Ų137.879%0.79275%0.746SS**  trans-78.1141.1178.732.3-34000112.1
611I31.4Very low29.3Very low146 Ų146141.5 Ų141.575%0.74976%0.758SS**  trans-127.6101.1171.1-59-176.1000109.3L613I611-L613 HydrophobicContact CG2-CB 4.44Å; I611-L613 HydrophobicContact CG2-CD1 3.56Å
612D26.6Very low29.6Very low148 Ų148137.1 Ų137.179%0.79175%0.75SS**  trans-92.6124.4162.3-179.514.7000107.8
613L32.6Very low30Very low151 Ų151137.9 Ų137.979%0.79175%0.745SS**  trans-13980.6178.8-118.7107.9000112.7I611I611-L613 HydrophobicContact CG2-CB 4.44Å; I611-L613 HydrophobicContact CG2-CD1 3.56Å
614S27.7Very low30.3Very low90 Ų90140.3 Ų140.363%0.62975%0.751SS**  trans-69.8136.1153.971.20000111.2
615V30.3Very low30.6Very low123 Ų123139.2 Ų139.275%0.74575%0.751SS**  trans80.8130.4141.1172.70000120.8
616H30.1Very low31Very low164 Ų164142.1 Ų142.176%0.75976%0.758SS**  trans54.894.6156.5-79.1-55.4000123.7
617S28Very low31.2Very low85 Ų85141.4 Ų141.459%0.59476%0.761SS**  28.4124.3114.565.30000121.5
618K32.1Very low31.4Very low183 Ų183143.2 Ų143.280%0.79676%0.763SS**  172.9141.7110.8-97169.1-177.7176.30113.2
619N30.7Very low31.6Very low131 Ų131142.8 Ų142.870%0.70177%0.767SS**  trans64.9158152.1-62.1-2.3000117.2
620Q33.7Very low31.7Very low148 Ų148142.3 Ų142.369%0.69276%0.761SS**  cis-160.7154.2-13.9-117.1174.142.600109.8
621L32.9Very low32Very low170 Ų170142.9 Ų142.989%0.8977%0.766SS**  trans60.3152.5164.7-98.155.8000117.6
622G31.8Very low31.8Very low60 Ų60143 Ų14362%0.61977%0.768SS**  cis-175.5170.9-4.700000112.1
623N36.1Very low32Very low149 Ų149140.9 Ų140.980%0.79777%0.765SS**  trans65.3107.6-177.4-56.1-24.4000114.6
624K32.5Very low31.9Very low186 Ų186140 Ų14081%0.80977%0.766SS**  66.9110.362.3-63.9175.2180172.40113.2
625D37.9Very low32.1Very low171 Ų171141.7 Ų141.791%0.91477%0.774SS**  -148.8167.8103.5-113.3-31.3000112.1
626K35.8Very low32.3Very low190 Ų190142.3 Ų142.383%0.82678%0.779SS**  trans-112.4134.5-170.6-61.3176.2-178.71770112.7
627I35.2Very low32.2Very low178 Ų178142.2 Ų142.291%0.91378%0.784SS**  trans-128.5130.7140.7-61.8-176.5000107.5
628L30.7Very low32.4Very low128 Ų128147.6 Ų147.667%0.6780%0.796SS**  trans-113.6140.9-177.6-179.773.5000108.6T630L628-T630 HydrophobicContact CD1-CG2 3.89Å; L628-T630 HydrophobicContact CG-CG2 4.46Å
629N32.9Very low32.2Very low171 Ų171145.1 Ų145.191%0.91480%0.796SS**  trans-156.6130.3146.7-101.7-23.4000109.6
630T29.5Very low32Very low95 Ų95146.5 Ų146.558%0.58380%0.802SS**  trans-121134.5-170.843.30000110.8L628L628-T630 HydrophobicContact CD1-CG2 3.89Å; L628-T630 HydrophobicContact CG-CG2 4.46Å
631C32.6Very low31.6Very low133 Ų133142.2 Ų142.290%0.89980%0.798SS**  trans-138.8108.3158.6-73.30000109.1
632D28.7Very low31.3Very low148 Ų148144 Ų14479%0.79179%0.792SS**  trans-76.4176.3162.4-37.3-91.1000109.1
633S29.8Very low31.2Very low105 Ų105146.4 Ų146.473%0.73480%0.8SS**  cis-161.7133.1150.60000109.5
634V31.9Very low30.8Very low133 Ų133148 Ų14881%0.80680%0.8SS**  trans-149.2128.9157-174.30000109.8
635P30.6Very low30.6Very low125 Ų125147.7 Ų147.781%0.81280%0.801SS**  trans-95.3133.4175.434.7-30.9000112.7
636T35.7Very low30.3Very low136 Ų136146.2 Ų146.283%0.83479%0.792SS**  trans-131138167.647.90000111.6
637N28.2Very low29.9Very low162 Ų162140 Ų14087%0.86678%0.782SS**  trans-92.2169.3179.8-93.5-60.3000112
638K30.3Very low29.7Very low197 Ų197139.1 Ų139.186%0.85778%0.779SS**  trans86139161.7-80.1-179.7174178.40119.9
639V29.3Very low29.9Very low131 Ų131140.4 Ų140.479%0.79479%0.786SS**  trans61.398.3164.2-173.50000117.2G641V639-G641 PolarHBondContact O-N 3.43Å
640I26.1Very low29.8Very low161 Ų161137.7 Ų137.783%0.82678%0.779SS**  trans-78.773.8163.3-53.9176.8000109.1R642I640-R642 HydrophobicContact CG2-CG 4.35Å; I640-R642 PolarHBondContact O-N 2.96Å
641G26Very low29.8Very low58 Ų58139.6 Ų139.660%0.59879%0.793SS**  trans-82.896.6167.400000109.7V639 S643V639-G641 PolarHBondContact O-N 3.43Å; G641-S643 PolarHBondContact O-N 2.93Å
642R26.9Very low29.8Very low206 Ų206141.6 Ų141.678%0.77779%0.789SS**  trans-75.791.2172-78.3-174177.1163.7-0.8109.9I640 F644I640-R642 HydrophobicContact CG2-CG 4.35Å; I640-R642 PolarHBondContact O-N 2.96Å; R642-F644 PolarHBondContact O-N 3.07Å; R642-F644 VanDerWaalsContact O-N 3.07Å
643S28.4Very low29.9Very low111 Ų111142.1 Ų142.178%0.77679%0.791SS**  trans-55.9106.9161500000109G641 E645G641-S643 PolarHBondContact O-N 2.93Å; S643-E645 PolarHBondContact O-N 2.91Å
644F28.5Very low29.9Very low182 Ų182146.4 Ų146.480%0.79880%0.799SS**  trans-75.2120.6173.9-97.4-91.1000109.6R642 I646R642-F644 PolarHBondContact O-N 3.07Å; R642-F644 VanDerWaalsContact O-N 3.07Å; F644-I646 PolarHBondContact O-N 2.97Å
645E27.9Very low29.9Very low180 Ų180148.8 Ų148.884%0.84180%0.802SS**  trans-60.9127.2172.7-62163.8131.700109.3S643 G647S643-E645 PolarHBondContact O-N 2.91Å; E645-G647 PolarHBondContact O-N 2.91Å
646I32.4Very low29.9Very low141 Ų141148.2 Ų148.272%0.72380%0.8SS**  trans-81.245.5171.3-46.9-176.9000109.4F644 N648F644-I646 PolarHBondContact O-N 2.97Å; I646-N648 VanDerWaalsContact C-N 3.31Å; I646-N648 PolarHBondContact O-N 3.07Å; I646-N648 VanDerWaalsContact O-N 3.15Å
647G27Very low29.6Very low59 Ų59152.1 Ų152.161%0.60881%0.806SS**THydrogen-bonded Turntrans-84.668.3173.600000110.8E645E645-G647 PolarHBondContact O-N 2.91Å
648N31.3Very low29.7Very low159 Ų159153 Ų15385%0.8580%0.802SS**THydrogen-bonded Turntrans-160.220.6172.4-101.2-49.4000114.8I646I646-N648 VanDerWaalsContact C-N 3.31Å; I646-N648 PolarHBondContact O-N 3.07Å; I646-N648 VanDerWaalsContact O-N 3.15Å
649L34Very low29.5Very low156 Ų156151.1 Ų151.182%0.81780%0.796SS**SBendtrans-126.750.8173-96.493.7000112.4
650C30.6Very low29.6Very low113 Ų113151.8 Ų151.876%0.76480%0.8SS**  trans-174.6110.4157.1-104.40000109.1E652C650-E652 VanDerWaalsContact C-N 3.3Å; C650-E652 PolarHBondContact O-N 2.85Å; C650-E652 VanDerWaalsContact O-N 3.17Å
651P28.9Very low29.7Very low136 Ų136151.9 Ų151.988%0.88380%0.795SS**  trans-88.658.9179.236.5-35.2000112
652E33.3Very low29.7Very low175 Ų175156.2 Ų156.282%0.81880%0.804SS**  trans-161.5159.1172.5-115.9165.9-137.300110.3C650C650-E652 VanDerWaalsContact C-N 3.3Å; C650-E652 PolarHBondContact O-N 2.85Å; C650-E652 VanDerWaalsContact O-N 3.17Å
653L31.8Very low29.8Very low158 Ų158154.2 Ų154.283%0.82781%0.808SS**  trans70.165.6179.5-52176.3000117.3
654H29.3Very low29.5Very low195 Ų195154.1 Ų154.190%0.90381%0.808SS**  trans-120.742.2156.6-165.1-78.8000112.2
655E31.2Very low29.5Very low184 Ų184150.1 Ų150.186%0.8680%0.802SS**  trans-152.283.8178.2-153.5160.4-13000113.3
656S31.4Very low29.4Very low113 Ų113146.9 Ų146.979%0.7980%0.795SS**  trans178.674156.433.60000112.6K658S656-K658 PolarHBondContact O-N 3.42Å
657K28Very low29Very low218 Ų218148.1 Ų148.195%0.94880%0.799SS**  trans-73.192.4162.6-79.5-176.4176.91760109.7
658K31.9Very low28.8Very low180 Ų180154.3 Ų154.378%0.78381%0.81SS**  trans-151.4110164.5-113.7170.5-175.4179.80113.4S656S656-K658 PolarHBondContact O-N 3.42Å
659E25.6Very low28.6Very low158 Ų158152.7 Ų152.774%0.73880%0.8SS**  trans38.893.5142.9-57.4-176.4109.300119.4
660V30.8Very low28.3Very low145 Ų145153 Ų15388%0.87980%0.799SS**  trans-126.2100.4140.6-176.90000108.3
661K27.4Very low28.2Very low162 Ų162155.4 Ų155.470%0.70480%0.804SS**  trans-84.4159.5164.9-71.2174.4-179.7164.40109.1
662N26.6Very low28.1Very low150 Ų150153.2 Ų153.280%0.80279%0.792SS**  trans6397.6165.7-56.1-9.6000116.7
663L28.4Very low27.8Very low163 Ų163152.2 Ų152.285%0.85379%0.792SS**  trans-150.872.3137.7-112.3163.1000109.7
664S23.3Very low27.6Very low110 Ų110152.2 Ų152.277%0.76979%0.793SS**  trans-70.2124.6164.8-178.40000108.3
665S28.5Very low27.4Very low98 Ų98147.1 Ų147.169%0.68579%0.785SS**  trans-147.188.2176.9-75.50000110M667S665-M667 PolarHBondContact O-N 2.99Å
666T24.6Very low27.4Very low112 Ų112145.2 Ų145.269%0.68778%0.78SS**  trans-69.4107.9-176.4-47.50000111.9K668T666-K668 HydrophobicContact CG2-CG 4.22Å
667M24.5Very low27.1Very low166 Ų166147 Ų14782%0.81878%0.78SS**  trans-97.383.9163.4-78.5-162.170.800111.5S665 I669S665-M667 PolarHBondContact O-N 2.99Å; M667-I669 HydrophobicContact CE-CD1 4.14Å
668K24Very low27.1Very low189 Ų189144 Ų14482%0.82277%0.773SS**  trans-89.8101.6157.8-83.2-175.3173.2-177.80108.6T666T666-K668 HydrophobicContact CG2-CG 4.22Å
669I27.5Very low26.7Very low126 Ų126140.3 Ų140.365%0.64678%0.775SS**  trans-130.9103.1164.2-59.5-175.2000110.2M667M667-I669 HydrophobicContact CE-CD1 4.14Å
670M26.2Very low26.7Very low162 Ų162138.9 Ų138.980%0.79878%0.777SS**  trans33.5110.2147.9-57-173.1-6900119.3
671N28.1Very low26.5Very low164 Ų164136.5 Ų136.588%0.87777%0.767SS**  trans-83.1119149.7-178.517000108.5
672S28.2Very low26.4Very low89 Ų89136.3 Ų136.362%0.62277%0.769SS**  trans-150.1121.2173.4610000111.8N674S672-N674 PolarHBondContact O-N 3.4Å
673N26.4Very low26.5Very low154 Ų154135.3 Ų135.382%0.82477%0.77SS**  trans-39.2126.4176-52-31.8000113.7
674N28.7Very low26.5Very low159 Ų159133.1 Ų133.185%0.8576%0.764SS**  trans-152.8114152.8-108.5-31.6000110.5S672S672-N674 PolarHBondContact O-N 3.4Å
675A25.1Very low26.6Very low88 Ų88133.9 Ų133.973%0.72776%0.764SS**  trans-98.6113.2172.700000109.2
676N30.6Very low26.5Very low143 Ų143135 Ų13577%0.76576%0.761SS**  trans-158.4109.8160.3-84.4-40.7000104.3
677I24.2Very low26.5Very low151 Ų151136.1 Ų136.177%0.77476%0.763SS**  49.885.963.5-47.8-179.5000111.1
678I28.1Very low26.6Very low156 Ų156133.3 Ų133.380%0.876%0.759SS**  -139.4134.5129.5-89.9145.7000105.1T680I678-T680 HydrophobicContact CG2-CG2 4.18Å
679A23.8Very low26.7Very low102 Ų102132.1 Ų132.184%0.84376%0.755SS**  trans-117.9116.4175.400000108.6
680T26.8Very low26.7Very low127 Ų127129.8 Ų129.878%0.77975%0.754SS**  trans-132131.417446.90000110.4I678I678-T680 HydrophobicContact CG2-CG2 4.18Å
681S24.7Very low26.7Very low95 Ų95129.5 Ų129.566%0.66476%0.756SS**  trans-58.9163.6-172.8460000116.9
682H26.1Very low26.7Very low159 Ų159128.4 Ų128.474%0.73675%0.747SS**  trans72.6117.4166.5-55.9-70.7000118.5T684H682-T684 PolarHBondContact O-N 2.9Å
683P28.7Very low26.7Very low129 Ų129132.7 Ų132.784%0.83876%0.757SS**  trans-76.1106.7156.331.4-29000108.8
684T27.8Very low26.7Very low117 Ų117132.9 Ų132.972%0.71876%0.758SS**  trans-70.4129.8172.539.30000110.4H682 I686H682-T684 PolarHBondContact O-N 2.9Å; T684-I686 PolarHBondContact O-N 3.45Å
685T25.5Very low26.7Very low125 Ų125128.4 Ų128.477%0.76774%0.739SS**  trans-72.394175.947.50000110.1N687T685-N687 PolarHBondContact O-N 3.39Å
686I27Very low27.1Very low123 Ų123134.5 Ų134.563%0.63175%0.749SS**  trans-75.280.8172.2-53.6177.7000109T684 F689T684-I686 PolarHBondContact O-N 3.45Å; I686-F689 HydrophobicContact CG2-CD2 4.06Å; I686-F689 HydrophobicContact CG2-CE2 3.8Å
687N25.3Very low27Very low134 Ų134134 Ų13472%0.71775%0.747SS**  trans-75.6150.3156.4-73-28000108.9T685T685-N687 PolarHBondContact O-N 3.39Å
688S25.5Very low27.2Very low107 Ų107134.9 Ų134.975%0.74875%0.752SS**  trans71.8121.3-171.878.80000115.7
689F26.8Very low27.1Very low165 Ų165135.4 Ų135.472%0.72475%0.753SS**  trans-144.769.2154.8-103.3-68.6000107.2I686I686-F689 HydrophobicContact CG2-CD2 4.06Å; I686-F689 HydrophobicContact CG2-CE2 3.8Å
690A27.5Very low27.3Very low77 Ų77135.6 Ų135.664%0.63675%0.748SS**  trans-70.2167144.900000108.2
691D26.4Very low27.5Very low156 Ų156135.4 Ų135.483%0.83474%0.741SS**  trans58.869.6172.4-56.8-21.7000116.8
692M27.2Very low27.5Very low140 Ų140136.2 Ų136.269%0.6975%0.747SS**  trans-141.855151.5-116.7-17078.900113
693H27.7Very low27.7Very low179 Ų179134.1 Ų134.183%0.82974%0.741SS**  trans-66.4146161.7-102-96.7000110.6
694N28Very low27.6Very low158 Ų158133.8 Ų133.885%0.84574%0.741SS**SBendtrans60.672.7170.4-62.6-11.1000117.8
695S28.7Very low27.7Very low66 Ų66134.3 Ų134.346%0.46274%0.739SS.*  trans-142.1147.4143.769.60000111.7N697S695-N697 VanDerWaalsContact C-N 3.28Å; S695-N697 PolarHBondContact O-N 3.16Å
696K31.7Very low27.8Very low215 Ų215134.2 Ų134.294%0.93573%0.734SS**  trans-93.235.3178.1-69.6-176.7176.8177.10112
697N28.5Very low27.9Very low133 Ų133133.5 Ų133.571%0.71174%0.739SS**  trans-93.5144-173-70.6-9.7000111.9S695 M699S695-N697 VanDerWaalsContact C-N 3.28Å; S695-N697 PolarHBondContact O-N 3.16Å; N697-M699 PolarHBondContact O-N 3.45Å
698L29.9Very low28.3Very low169 Ų169132.1 Ų132.189%0.88573%0.732SS**  trans-67.3130.5173-68.7100000109.8S700L698-S700 PolarHBondContact O-N 3.09Å
699M25.9Very low28.7Very low168 Ų168130.9 Ų130.983%0.82872%0.723SS**  trans-70.693.2167-92-82.8-79.400109.3N697 I701N697-M699 PolarHBondContact O-N 3.45Å; M699-I701 VanDerWaalsContact C-N 3.31Å; M699-I701 PolarHBondContact O-N 3.5Å
700S27.4Very low28.8Very low105 Ų105127.8 Ų127.873%0.73471%0.71SS**  trans-70.388.1167.556.20000109.4L698 S702L698-S700 PolarHBondContact O-N 3.09Å; S700-S702 PolarHBondContact O-N 2.81Å; S700-S702 VanDerWaalsContact O-N 3.07Å
701I30.5Very low29Very low123 Ų123130.6 Ų130.663%0.63171%0.713SS**  trans-69.1105.5172.9-59.5177.6000107.8M699 L703M699-I701 VanDerWaalsContact C-N 3.31Å; M699-I701 PolarHBondContact O-N 3.5Å; I701-L703 HydrophobicContact CG2-CG 4.39Å; I701-L703 PolarHBondContact O-N 3.31Å
702S26.4Very low29.3Very low113 Ų113131 Ų13179%0.7972%0.715SS**  trans-68.379.4176-60.70000111.2S700 S704S700-S702 PolarHBondContact O-N 2.81Å; S700-S702 VanDerWaalsContact O-N 3.07Å; S702-S704 PolarHBondContact O-N 3.1Å
703L29.8Very low29.5Very low115 Ų115126.2 Ų126.260%0.60270%0.702SS**  trans-62.6100.4171.7-82162.6000109.6I701 L705I701-L703 HydrophobicContact CG2-CG 4.39Å; I701-L703 PolarHBondContact O-N 3.31Å; L703-L705 PolarHBondContact O-N 3.26Å
704S27Very low29.8Very low121 Ų121124.2 Ų124.285%0.84670%0.702SS**  trans-70.274.6171.2-168.80000110.3S702 N706S702-S704 PolarHBondContact O-N 3.1Å; S704-N706 PolarHBondContact O-N 2.79Å
705L29.4Very low30Very low129 Ų129122 Ų12268%0.67569%0.694SS**  trans-68.9105.5169.8-78159.7000108.1L703 S707L703-L705 PolarHBondContact O-N 3.26Å; L705-S707 PolarHBondContact O-N 3.3Å
706N26.6Very low30.1Very low123 Ų123123.6 Ų123.666%0.65871%0.705SS**  trans-60.5105.2176-172.9-9.6000109S704 N708S704-N706 PolarHBondContact O-N 2.79Å; N706-N708 PolarHBondContact O-N 2.97Å; N706-N708 PolarHBondContact OD1-ND2 3.38Å
707S28.9Very low30.3Very low107 Ų107117.5 Ų117.575%0.74869%0.69SS**THydrogen-bonded Turntrans-75.420.9-154.551.70000116L705L705-S707 PolarHBondContact O-N 3.3Å
708N33.5Very low30.6Very low105 Ų105115.3 Ų115.356%0.56168%0.681SS**THydrogen-bonded Turntrans-98.5-5.2-170.7-69.5-60.7000114.7Y10 N706Y10-N708 PolarHBondContact OH-O 3.42Å; N706-N708 PolarHBondContact O-N 2.97Å; N706-N708 PolarHBondContact OD1-ND2 3.38Å
709S34.1Very low30.6Very low81 Ų81111.4 Ų111.457%0.56666%0.661SS**SBendtrans-108.7-6.8-171.656.20000116.2
710F30.1Very low30.9Very low100 Ų100109 Ų10944%0.43966%0.656SS.*  trans-112.3105.2-177.8-77.2-89.2000111.8
711I31.7Very low31Very low137 Ų137112.1 Ų112.170%0.70365%0.653SS**SBendtrans-94.6124.8167.2-63.4172.5000107.6G713I711-G713 VanDerWaalsContact C-N 3.33Å; I711-G713 PolarHBondContact O-N 2.81Å
712D31.5Very low31.1Very low163 Ų163108.8 Ų108.887%0.87264%0.64SS**SBendtrans56.626.9168.5-52-25.4000117.9
713G32.8Very low31.4Very low40 Ų40110.5 Ų110.541%0.41264%0.641SS.*  trans-111.2105.1173.900000113.5I711 V715I711-G713 VanDerWaalsContact C-N 3.33Å; I711-G713 PolarHBondContact O-N 2.81Å; G713-V715 PolarHBondContact O-N 2.81Å
714T32.6Very low31.4Very low138 Ų138113.6 Ų113.685%0.84765%0.649SS**  trans-79115170.849.40000111.2S716T714-S716 PolarHBondContact O-N 2.97Å; T714-S716 VanDerWaalsContact O-N 3.14Å
715V33.8Very low31.6Very low111 Ų111116.6 Ų116.667%0.67365%0.647SS**  trans-72.7102.8176.8-177.80000110.4G713 V718G713-V715 PolarHBondContact O-N 2.81Å; V715-V718 HydrophobicContact CG1-CG2 4.25Å
716S30.6Very low31.6Very low99 Ų99118.3 Ų118.369%0.69265%0.651SS**  trans-89.8110.4173.2580000111.1T714T714-S716 PolarHBondContact O-N 2.97Å; T714-S716 VanDerWaalsContact O-N 3.14Å
717S35.2Very low31.7Very low88 Ų88120.6 Ų120.662%0.61566%0.661SS**  trans61.8154.2-178.380.30000117.8
718V34.5Very low31.7Very low87 Ų87124.5 Ų124.553%0.52766%0.661SS.*  trans-142.898.3173.1178.10000106.8V715 V720V715-V718 HydrophobicContact CG1-CG2 4.25Å; V718-V720 HydrophobicContact CG1-CG2 4.4Å; V718-V720 PolarHBondContact O-N 3.38Å
719D29.8Very low31.5Very low87 Ų87123 Ų12347%0.46566%0.664SS.*  trans-93.1102-170.4-61.4-20.5000111.4Y721D719-Y721 HydrophobicContact CB-CD2 4.03Å; D719-Y721 HydrophobicContact CB-CE2 3.53Å; D719-Y721 PolarHBondContact O-N 3.02Å
720V32.2Very low31.3Very low118 Ų118124.4 Ų124.472%0.71566%0.664SS**  trans-88.386.9-179.3-174.80000111V718 S722V718-V720 HydrophobicContact CG1-CG2 4.4Å; V718-V720 PolarHBondContact O-N 3.38Å; V720-S722 PolarHBondContact O-N 3.43Å
721Y30.9Very low31.4Very low170 Ų170129.7 Ų129.767%0.66769%0.687SS**  trans-76.478.1177.9-71.4-78000113.6D719 N723D719-Y721 HydrophobicContact CB-CD2 4.03Å; D719-Y721 HydrophobicContact CB-CE2 3.53Å; D719-Y721 PolarHBondContact O-N 3.02Å; Y721-N723 PolarHBondContact O-N 3.25Å
722S32.5Very low31.5Very low53 Ų53132 Ų13237%0.37169%0.692SS.*  trans-73.7110.2167.8-174.90000110.5V720 K724 N736V720-S722 PolarHBondContact O-N 3.43Å; S722-K724 VanDerWaalsContact C-N 3.27Å; S722-K724 PolarHBondContact O-N 3Å; S722-N736 PolarHBondContact OG-OD1 3.2Å
723N31Very low31.7Very low149 Ų149132.5 Ų132.580%0.79769%0.689SS**  trans-78.668.3-175.4-165.94.2000112.7Y721 K725Y721-N723 PolarHBondContact O-N 3.25Å; N723-K725 PolarHBondContact O-N 3.24Å
724K31Very low31.9Very low180 Ų180134.9 Ų134.978%0.78370%0.699SS**  trans-88.490.9174.7-74-175.7178178.80111.6S722S722-K724 VanDerWaalsContact C-N 3.27Å; S722-K724 PolarHBondContact O-N 3Å
725K31.9Very low32.2Very low183 Ų183132.3 Ų132.380%0.79668%0.684SS**  trans-119.1145.5157.7-83.9-173173.9-179.90110.9N723N723-K725 PolarHBondContact O-N 3.24Å
726H28.6Very low32.5Very low165 Ų165130.1 Ų130.176%0.76467%0.668SS**  trans-72.4130.2-169.6-75.6-127.6000112.5
727I29.2Very low32.6Very low171 Ų171130.7 Ų130.788%0.87766%0.661SS**  trans-129134.6142.6-60.7-177000106.9
728Y27.8Very low32.7Very low190 Ų190127.7 Ų127.775%0.74564%0.644SS**  trans-73.8154-177.4-87.1-113.1000112.2
729A29.2Very low32.7Very low74 Ų74126.3 Ų126.361%0.61264%0.637SS**SBendtrans58.169.4157.300000118.1
730N30.3Very low33.1Very low109 Ų109125.3 Ų125.358%0.58363%0.631SS**  trans-164.3151.3133-108.4-39000114.3Y595 K732Y595-N730 WeakPolarHBondContact CD2-ND2 3.47Å; Y595-N730 WeakPolarHBondContact CE2-ND2 3.4Å; N730-K732 PolarHBondContact O-N 3.09Å; N730-K732 VanDerWaalsContact O-N 3.15Å
731K31.7Very low33.5Very low211 Ų211124.5 Ų124.592%0.91762%0.623SS**  trans-75.594.5171.6-71.8-178.7177.6179.30110.5
732K34.6Very low33.9Very low186 Ų186119.6 Ų119.681%0.80961%0.608SS**  trans-136.3144.4165.4-70.4-171.8177.4177.90110.1N730N730-K732 PolarHBondContact O-N 3.09Å; N730-K732 VanDerWaalsContact O-N 3.15Å
733H36.2Very low34.3Very low173 Ų173124.6 Ų124.680%0.80163%0.63SS**  trans-65.7131.8-173.2-62.7-96.9000111.4T735H733-T735 PolarHBondContact O-N 2.91Å
734S36.6Very low34.6Very low90 Ų90123.5 Ų123.563%0.62962%0.62SS**  trans-92.686.4179.259.30000111.1N736S734-N736 PolarHBondContact O-N 3.37Å; S734-N736 PolarHBondContact O-ND2 2.93Å
735T38.3Very low34.7Very low85 Ų85118.9 Ų118.952%0.52162%0.624SS.*  trans-60115.4171.9530000110.4H733 F758 N759H733-T735 PolarHBondContact O-N 2.91Å; T735-F758 CarbonylContact C-O 3.6Å; T735-F758 WeakPolarHBondContact CA-O 3.06Å; T735-N759 WeakPolarHBondContact CG2-OD1 3.18Å
736N39.7Very low34.7Very low65 Ų65120.4 Ų120.435%0.34863%0.625SS.*EExtended strand (participates in β ladder)trans-89117.5174.3-76.1-86.1000109S722 S734 F758S722-N736 PolarHBondContact OG-OD1 3.2Å; S734-N736 PolarHBondContact O-N 3.37Å; S734-N736 PolarHBondContact O-ND2 2.93Å; N736-F758 PolarHBondContact N-O 3.05Å; N736-F758 PolarHBondContact O-N 2.95Å
737M33.8Very low35.1Very low111 Ų111118.1 Ų118.155%0.54763%0.627SS.*EExtended strand (participates in β ladder)trans-84.5137.7168-73.8-71.9-154.400109.7L755 A757M737-L755 HydrophobicContact CE-CD2 4.22Å; M737-L755 HydrophobicContact SD-CD1 4.3Å; M737-L755 HydrophobicContact SD-CD2 4.13Å; M737-L755 HydrophobicContact SD-CG 4.18Å; M737-A757 HydrophobicContact SD-CB 3.79Å
738G37.8Very low35.5Very low24 Ų24116.3 Ų116.325%0.24762%0.619CS.*EExtended strand (participates in β ladder)trans-135.3138.5171.500000111.1F756G738-F756 PolarHBondContact N-O 3.22Å; G738-F756 PolarHBondContact O-N 3.47Å
739C34.7Very low35.8Very low58 Ų58116.3 Ų116.339%0.39262%0.623SS.*EExtended strand (participates in β ladder)trans-111.3131.317652.90000110.3L755C739-L755 HydrophobicContact CB-CD1 4.46Å
740I38.1Very low36.2Very low66 Ų66121.7 Ų121.734%0.33864%0.636SS.*EExtended strand (participates in β ladder)trans-109.5114.7170.4-63.8176.3000108.2L742 V754 F756I740-L742 HydrophobicContact CG2-CG 4.33Å; I740-V754 PolarHBondContact N-O 3.01Å; I740-F756 HydrophobicContact CD1-CD2 4.18Å; I740-F756 HydrophobicContact CD1-CE2 3.92Å; I740-F756 HydrophobicContact CG1-CD2 4.48Å; I740-F756 HydrophobicContact CG1-CE2 4.45Å
741N38.9Very low36.6Very low102 Ų102119.9 Ų119.955%0.54564%0.636SS.*  trans-89.1105.2177.2-70.6-19.7000109.7L743N741-L743 HydrophobicContact CB-CD1 4.39Å; N741-L743 PolarHBondContact O-N 3.15Å
742L41.2Very low36.9Very low67 Ų67112.9 Ų112.935%0.35162%0.618SS.*  trans-8788.9176.8-74.9159.2000110.6I740 Q744 V754I740-L742 HydrophobicContact CG2-CG 4.33Å; L742-Q744 PolarHBondContact O-N 3.07Å; L742-V754 HydrophobicContact CD1-CG2 4.43Å
743L39.3Very low37.3Very low158 Ų158108.6 Ų108.683%0.82760%0.603SS**  trans-73.987.7169.3-93.378.1000110.6N741N741-L743 HydrophobicContact CB-CD1 4.39Å; N741-L743 PolarHBondContact O-N 3.15Å
744Q37.9Very low37.5Very low125 Ų125103.1 Ų103.158%0.58458%0.582SS**  trans-84.5111.2171.4-148.978.43100110L742 R746L742-Q744 PolarHBondContact O-N 3.07Å; Q744-R746 VanDerWaalsContact C-N 3.27Å; Q744-R746 PolarHBondContact O-N 3.42Å
745G32.5Very low37.7Very low84 Ų84104.3 Ų104.387%0.86658%0.581SS**  trans-74.954.5-173.200000116.5
746R33Very low37.9Very low215 Ų215104.7 Ų104.781%0.81158%0.575SS**  trans-136.4144.2169.2-74.6-170.1169.8158.30.7111.4Q744 D748Q744-R746 VanDerWaalsContact C-N 3.27Å; Q744-R746 PolarHBondContact O-N 3.42Å; R746-D748 VanDerWaalsContact C-N 3.28Å; R746-D748 PolarHBondContact O-N 3.41Å; R746-D748 VanDerWaalsContact O-N 3.13Å
747S36.6Very low37.9Very low117 Ų117104.7 Ų104.782%0.81858%0.584SS**THydrogen-bonded Turntrans-70.6-10.1-159.346.30000117.1
748D38.2Very low38.5Very low133 Ų133106.3 Ų106.371%0.71159%0.589SS**THydrogen-bonded Turntrans-119.14.5-156.4-53.8-10.6000113.8R746R746-D748 VanDerWaalsContact C-N 3.28Å; R746-D748 PolarHBondContact O-N 3.41Å; R746-D748 VanDerWaalsContact O-N 3.13Å
749F34.2Very low38.4Very low190 Ų190113.6 Ų113.683%0.83362%0.622SS**SBendtrans-124.8136.3-175.6-75.6-92.2000112.9
750E36.8Very low38.6Very low186 Ų186116.4 Ų116.487%0.86963%0.634SS**  trans-75.3132.8179.7-166.1169.3-156.700110.6A752E750-A752 PolarHBondContact O-N 3Å
751A38.8Very low38.7Very low72 Ų72119.1 Ų119.160%0.59565%0.649SS**  trans-68.4116.8-170.500000112.6N753A751-N753 PolarHBondContact O-N 2.89Å; A751-N753 VanDerWaalsContact O-N 3.08Å
752A38Very low38.6Very low64 Ų64120 Ų12053%0.52966%0.655SS.*  trans-81.484.3179.500000111.6E750 V754E750-A752 PolarHBondContact O-N 3Å; A752-V754 PolarHBondContact O-N 3.34Å
753N42.2Very low38.5Very low95 Ų95123.1 Ų123.151%0.50867%0.673SS.*  trans-69.7107.7170.2-70.2-3.1000109.7A751A751-N753 PolarHBondContact O-N 2.89Å; A751-N753 VanDerWaalsContact O-N 3.08Å
754V41.5Very low38.4Very low58 Ų58120.9 Ų120.935%0.35266%0.663SS.*EExtended strand (participates in β ladder)trans-93.3115.6177.2-165.80000109.2I740 L742 A752 F756I740-V754 PolarHBondContact N-O 3.01Å; L742-V754 HydrophobicContact CD1-CG2 4.43Å; A752-V754 PolarHBondContact O-N 3.34Å; V754-F756 HydrophobicContact CB-CD2 4.41Å; V754-F756 HydrophobicContact CB-CE2 3.7Å; V754-F756 HydrophobicContact CB-CZ 4.09Å; V754-F756 HydrophobicContact CG1-CD2 4.06Å; V754-F756 HydrophobicContact CG1-CE1 3.99Å; V754-F756 HydrophobicContact CG1-CE2 3.39Å; V754-F756 HydrophobicContact CG1-CZ 3.37Å
755L39.5Very low38.5Very low115 Ų115120.7 Ų120.760%0.60267%0.668SS**EExtended strand (participates in β ladder)trans-91.4122.8174.7-17471.1000109.3M737 C739M737-L755 HydrophobicContact CE-CD2 4.22Å; M737-L755 HydrophobicContact SD-CD1 4.3Å; M737-L755 HydrophobicContact SD-CD2 4.13Å; M737-L755 HydrophobicContact SD-CG 4.18Å; C739-L755 HydrophobicContact CB-CD1 4.46Å
756F43.1Very low38.9Very low93 Ų93123.3 Ų123.341%0.40865%0.654SS.*EExtended strand (participates in β ladder)trans-111.3138175.7-64.6-85.2000110.2G738 I740 V754 F758G738-F756 PolarHBondContact N-O 3.22Å; G738-F756 PolarHBondContact O-N 3.47Å; I740-F756 HydrophobicContact CD1-CD2 4.18Å; I740-F756 HydrophobicContact CD1-CE2 3.92Å; I740-F756 HydrophobicContact CG1-CD2 4.48Å; I740-F756 HydrophobicContact CG1-CE2 4.45Å; V754-F756 HydrophobicContact CB-CD2 4.41Å; V754-F756 HydrophobicContact CB-CE2 3.7Å; V754-F756 HydrophobicContact CB-CZ 4.09Å; V754-F756 HydrophobicContact CG1-CD2 4.06Å; V754-F756 HydrophobicContact CG1-CE1 3.99Å; V754-F756 HydrophobicContact CG1-CE2 3.39Å; V754-F756 HydrophobicContact CG1-CZ 3.37Å; F756-F758 HydrophobicContact CB-CE2 4.18Å
757A40.2Very low39.4Very low65 Ų65116.2 Ų116.254%0.53764%0.642SS.*EExtended strand (participates in β ladder)trans-118.1129171.400000109M737M737-A757 HydrophobicContact SD-CB 3.79Å
758F46.3Very low39.6Very low146 Ų146116.2 Ų116.264%0.6463%0.628SS**EExtended strand (participates in β ladder)trans-111.2133.2169.5-66.8-86.2000109.3T735 N736 F756T735-F758 CarbonylContact C-O 3.6Å; T735-F758 WeakPolarHBondContact CA-O 3.06Å; N736-F758 PolarHBondContact N-O 3.05Å; N736-F758 PolarHBondContact O-N 2.95Å; F756-F758 HydrophobicContact CB-CE2 4.18Å
759N36.3Very low39.7Very low177 Ų177114.6 Ų114.695%0.94762%0.62SS**  trans-84.90174.2-80.4-11.2000111.7T735T735-N759 WeakPolarHBondContact CG2-OD1 3.18Å

Retrieved 759 of 759 residues in 627.2 ms (Link to these results)