A0A096NFU6_PAPAN Loading...

Ameloblastin

Involved in the mineralization and structural organization of enamel.

AlphaFold DB , UniProt , Accession A0A096NFU6, Species PAPAN (Papio anubis, Olive baboon), Gene AMBN, Length 447 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
1M38.9Very low53.3Low249 Ų249139.7 Ų139.7100%1.22775%0.751SS**  0147.70-75.9167.5162.900108.1A3M1-A3 PolarHBondContact O-N 3.17Å
2S44.8Very low54.4Low125 Ų125140.3 Ų140.387%0.87474%0.742SS**  trans-80112.6-168-51.50000112.3S4S2-S4 PolarHBondContact O-N 3.1Å
3A47.6Very low55.4Low97 Ų97134.5 Ų134.580%0.80271%0.712SS**  trans-65.3124.1161.500000108.6M1 K5M1-A3 PolarHBondContact O-N 3.17Å; A3-K5 PolarHBondContact O-N 3.35Å
4S53Low56.5Low104 Ų104132.4 Ų132.473%0.72770%0.7SS**  trans-68.394.7-178.739.20000110.3S2 I6S2-S4 PolarHBondContact O-N 3.1Å; S4-I6 PolarHBondContact O-N 3.45Å
5K53.8Low57.6Low208 Ų208129.6 Ų129.690%0.90468%0.684SS**  trans-71.974.2176.3-161.8168.5-172.1173.40110.1A3A3-K5 PolarHBondContact O-N 3.35Å
6I58Low58.7Low124 Ų124128.4 Ų128.464%0.63668%0.678SS**  trans-53.1121.7173-62.6171.2000106.9S4 L8S4-I6 PolarHBondContact O-N 3.45Å; I6-L8 PolarHBondContact O-N 3.29Å; I6-L8 VanDerWaalsContact O-N 3.14Å
7P55.8Low59.5Low79 Ų79126.9 Ų126.951%0.51367%0.669SS.*  trans-66.4119.3-178.525.6-32.7000108.9F9 K10P7-F9 PolarHBondContact O-N 2.9Å; P7-K10 HydrophobicContact CG-CG 4.35Å; P7-K10 PolarHBondContact O-N 2.94Å
8L56.3Low60.2Low130 Ų130125.3 Ų125.368%0.68166%0.66SS**Hα-helixtrans-50.5-25.7-178.4-90.4162.3000113.9I6 K10 M11 K12I6-L8 PolarHBondContact O-N 3.29Å; I6-L8 VanDerWaalsContact O-N 3.14Å; L8-K10 PolarHBondContact O-N 3.43Å; L8-M11 PolarHBondContact O-N 3.1Å; L8-M11 VanDerWaalsContact O-N 3.14Å; L8-K12 PolarHBondContact O-N 3.24Å; L8-K12 VanDerWaalsContact O-N 3.12Å
9F53.6Low60.5Low158 Ų158121.9 Ų121.969%0.69365%0.647SS**Hα-helixtrans-50.9-52.7170.3-144.3-81.3000112P7 M11 K12 D13P7-F9 PolarHBondContact O-N 2.9Å; F9-M11 PolarHBondContact O-N 3.25Å; F9-K12 PolarHBondContact O-N 2.82Å; F9-K12 VanDerWaalsContact O-N 3.15Å; F9-D13 WeakPolarHBondContact CD1-OD2 3.38Å; F9-D13 VanDerWaalsContact O-CG 3.25Å; F9-D13 PolarHBondContact O-N 3.49Å
10K58.7Low61Low148 Ų148121.8 Ų121.864%0.64365%0.646SS**Hα-helixtrans-64.3-24.8178.7-79.3-147.5171.1-162.80113.9P7 L8 L14P7-K10 HydrophobicContact CG-CG 4.35Å; P7-K10 PolarHBondContact O-N 2.94Å; L8-K10 PolarHBondContact O-N 3.43Å; K10-L14 WeakPolarHBondContact O-CB 3.32Å; K10-L14 PolarHBondContact O-N 3.19Å
11M65.8Low61.3Low115 Ų115120.7 Ų120.757%0.56764%0.64SS**Hα-helixtrans-76.5-38.5177.2-158.4168.1-171.500110.9L8 F9 L14 I15L8-M11 PolarHBondContact O-N 3.1Å; L8-M11 VanDerWaalsContact O-N 3.14Å; F9-M11 PolarHBondContact O-N 3.25Å; M11-L14 PolarHBondContact O-N 3.36Å; M11-I15 HydrophobicContact CG-CD1 4.42Å; M11-I15 WeakPolarHBondContact O-CD1 3.38Å; M11-I15 VanDerWaalsContact O-CG1 3.25Å; M11-I15 WeakPolarHBondContact O-CG1 3.4Å; M11-I15 PolarHBondContact O-N 2.91Å
12K67.1Low62.2Low147 Ų147115.5 Ų115.564%0.63961%0.613SS**Hα-helixtrans-65.1-44.2171.2-68.4-174.4176-173.70111.8L8 F9 L14 I15 L16L8-K12 PolarHBondContact O-N 3.24Å; L8-K12 VanDerWaalsContact O-N 3.12Å; F9-K12 PolarHBondContact O-N 2.82Å; F9-K12 VanDerWaalsContact O-N 3.15Å; K12-L14 VanDerWaalsContact C-N 3.33Å; K12-L14 PolarHBondContact O-N 3.11Å; K12-I15 PolarHBondContact O-N 3.36Å; K12-L16 WeakPolarHBondContact O-CG 3.38Å; K12-L16 PolarHBondContact O-N 3.26Å
13D67Low62.8Low65 Ų65116 Ų11635%0.34860%0.603SS.*Hα-helixtrans-59-44.6175.2-60.1-28.8000111.4F9 L16 I17F9-D13 WeakPolarHBondContact CD1-OD2 3.38Å; F9-D13 VanDerWaalsContact O-CG 3.25Å; F9-D13 PolarHBondContact O-N 3.49Å; D13-L16 PolarHBondContact O-N 2.95Å; D13-I17 WeakPolarHBondContact O-CB 3.47Å; D13-I17 WeakPolarHBondContact O-CD1 3.37Å; D13-I17 VanDerWaalsContact O-CG1 3.23Å; D13-I17 WeakPolarHBondContact O-CG1 3.15Å; D13-I17 PolarHBondContact O-N 3.45Å
14L70.6Confident63Low104 Ų104115.4 Ų115.455%0.54559%0.593SS.*Hα-helixtrans-69.1-35.5-179.2-168.3148.9000112.4K10 M11 K12 I17 L18K10-L14 WeakPolarHBondContact O-CB 3.32Å; K10-L14 PolarHBondContact O-N 3.19Å; M11-L14 PolarHBondContact O-N 3.36Å; K12-L14 VanDerWaalsContact C-N 3.33Å; K12-L14 PolarHBondContact O-N 3.11Å; L14-I17 PolarHBondContact O-N 3.27Å; L14-L18 HydrophobicContact CD2-CD1 4.05Å; L14-L18 PolarHBondContact O-N 3.34Å
15I72.9Confident63Low91 Ų91118.6 Ų118.647%0.46759%0.594SS.*Hα-helixtrans-65.9-45.2171.7-70.1163.3000110.7M11 K12 I17 L18 C19M11-I15 HydrophobicContact CG-CD1 4.42Å; M11-I15 WeakPolarHBondContact O-CD1 3.38Å; M11-I15 VanDerWaalsContact O-CG1 3.25Å; M11-I15 WeakPolarHBondContact O-CG1 3.4Å; M11-I15 PolarHBondContact O-N 2.91Å; K12-I15 PolarHBondContact O-N 3.36Å; I15-I17 VanDerWaalsContact C-N 3.31Å; I15-I17 PolarHBondContact O-N 3.32Å; I15-L18 PolarHBondContact O-N 2.96Å; I15-L18 VanDerWaalsContact O-N 3.17Å; I15-C19 PolarHBondContact O-N 3.09Å; I15-C19 PolarHBondContact O-SG 2.89Å; I15-C19 VanDerWaalsContact O-SG 3.39Å
16L74.6Confident62.8Low110 Ų110112.1 Ų112.158%0.57658%0.579SS**Hα-helixtrans-60.9-40.6175.6-75.6167.6000111.9K12 D13 L20K12-L16 WeakPolarHBondContact O-CG 3.38Å; K12-L16 PolarHBondContact O-N 3.26Å; D13-L16 PolarHBondContact O-N 2.95Å; L16-L20 VanDerWaalsContact O-CB 3.32Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 WeakPolarHBondContact O-CD1 3.32Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.31Å; L16-L20 PolarHBondContact O-N 3.34Å
17I73.1Confident62Low103 Ų103111 Ų11153%0.52858%0.578SS.*Hα-helixtrans-63.2-44173.6-70.8163.6000110.9D13 L14 I15 L20 L21D13-I17 WeakPolarHBondContact O-CB 3.47Å; D13-I17 WeakPolarHBondContact O-CD1 3.37Å; D13-I17 VanDerWaalsContact O-CG1 3.23Å; D13-I17 WeakPolarHBondContact O-CG1 3.15Å; D13-I17 PolarHBondContact O-N 3.45Å; L14-I17 PolarHBondContact O-N 3.27Å; I15-I17 VanDerWaalsContact C-N 3.31Å; I15-I17 PolarHBondContact O-N 3.32Å; I17-L20 PolarHBondContact O-N 2.78Å; I17-L21 WeakPolarHBondContact O-CB 3.26Å; I17-L21 PolarHBondContact O-N 3.42Å
18L71.4Confident61.3Low99 Ų99111.5 Ų111.552%0.51858%0.581SS.*Hα-helixtrans-62-48.6176.7-110.366.8000112L14 I15 L20 L21 E22L14-L18 HydrophobicContact CD2-CD1 4.05Å; L14-L18 PolarHBondContact O-N 3.34Å; I15-L18 PolarHBondContact O-N 2.96Å; I15-L18 VanDerWaalsContact O-N 3.17Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 2.94Å; L18-L21 WeakPolarHBondContact O-CB 3.35Å; L18-L21 PolarHBondContact O-N 3.46Å; L18-L21 VanDerWaalsContact O-N 3.11Å; L18-E22 WeakPolarHBondContact O-CB 3.32Å; L18-E22 PolarHBondContact O-N 3.15Å
19C67Low60.6Low61 Ų61114.1 Ų114.141%0.41259%0.587SS.*Hα-helixtrans-64.1-36.7178.3-65.30000112.2I15 M23I15-C19 PolarHBondContact O-N 3.09Å; I15-C19 PolarHBondContact O-SG 2.89Å; I15-C19 VanDerWaalsContact O-SG 3.39Å; C19-M23 VanDerWaalsContact O-CB 3.26Å; C19-M23 WeakPolarHBondContact O-CB 3.44Å; C19-M23 WeakPolarHBondContact O-CG 3.23Å; C19-M23 PolarHBondContact O-N 3.12Å
20L70.3Confident60.1Low118 Ų118114.6 Ų114.662%0.61859%0.589SS**Hα-helixtrans-65.7-37.3172.2-77.7166.3000112.1L16 I17 L18 S24L16-L20 VanDerWaalsContact O-CB 3.32Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 WeakPolarHBondContact O-CD1 3.32Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.31Å; L16-L20 PolarHBondContact O-N 3.34Å; I17-L20 PolarHBondContact O-N 2.78Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 2.94Å; L20-S24 WeakPolarHBondContact O-CB 3.36Å; L20-S24 PolarHBondContact O-N 3.11Å; L20-S24 PolarHBondContact O-OG 3.47Å
21L66.6Low59.2Low99 Ų99112 Ų11252%0.51859%0.587SS.*Hα-helixtrans-69.1-45.8176.7-14877.4000111.4I17 L18 S24 F25I17-L21 WeakPolarHBondContact O-CB 3.26Å; I17-L21 PolarHBondContact O-N 3.42Å; L18-L21 WeakPolarHBondContact O-CB 3.35Å; L18-L21 PolarHBondContact O-N 3.46Å; L18-L21 VanDerWaalsContact O-N 3.11Å; L21-S24 CarbonylContact O-C 3.59Å; L21-S24 WeakPolarHBondContact O-CA 3.43Å; L21-S24 WeakPolarHBondContact O-CB 3.25Å; L21-S24 PolarHBondContact O-N 3.5Å; L21-F25 HydrophobicContact CD2-CE2 4.27Å; L21-F25 HydrophobicContact CG-CE2 4.07Å; L21-F25 WeakPolarHBondContact O-CD2 3.45Å; L21-F25 PolarHBondContact O-N 3.34Å
22E58.6Low57.9Low141 Ų141115.6 Ų115.666%0.65960%0.603SS**Hα-helixtrans-63-45.2178.2-172.7169.4-151.600111.3L18 S24 F25 A26L18-E22 WeakPolarHBondContact O-CB 3.32Å; L18-E22 PolarHBondContact O-N 3.15Å; E22-S24 VanDerWaalsContact C-N 3.25Å; E22-S24 PolarHBondContact O-N 2.9Å; E22-F25 PolarHBondContact O-N 3.37Å; E22-F25 VanDerWaalsContact O-N 3.11Å; E22-A26 PolarHBondContact O-N 3.29Å
23M56.4Low56.6Low135 Ų135117 Ų11767%0.66561%0.612SS**Hα-helixtrans-64.1-28.9171.5-69.2-69.2-75.100112.7C19 A26 V27C19-M23 VanDerWaalsContact O-CB 3.26Å; C19-M23 WeakPolarHBondContact O-CB 3.44Å; C19-M23 WeakPolarHBondContact O-CG 3.23Å; C19-M23 PolarHBondContact O-N 3.12Å; M23-A26 PolarHBondContact O-N 2.92Å; M23-V27 PolarHBondContact O-N 2.86Å
24S52.7Low55.3Low84 Ų84120.2 Ų120.259%0.58763%0.634SS**Hα-helixtrans-72.4-28.4173.3-60.20000112.9L20 L21 E22L20-S24 WeakPolarHBondContact O-CB 3.36Å; L20-S24 PolarHBondContact O-N 3.11Å; L20-S24 PolarHBondContact O-OG 3.47Å; L21-S24 CarbonylContact O-C 3.59Å; L21-S24 WeakPolarHBondContact O-CA 3.43Å; L21-S24 WeakPolarHBondContact O-CB 3.25Å; L21-S24 PolarHBondContact O-N 3.5Å; E22-S24 VanDerWaalsContact C-N 3.25Å; E22-S24 PolarHBondContact O-N 2.9Å
25F51.9Low53.9Low172 Ų172118.4 Ų118.475%0.75464%0.64SS**Hα-helixtrans-79-21169.6-75.2-69.9000113.1L21 E22L21-F25 HydrophobicContact CD2-CE2 4.27Å; L21-F25 HydrophobicContact CG-CE2 4.07Å; L21-F25 WeakPolarHBondContact O-CD2 3.45Å; L21-F25 PolarHBondContact O-N 3.34Å; E22-F25 PolarHBondContact O-N 3.37Å; E22-F25 VanDerWaalsContact O-N 3.11Å
26A50.5Low52.4Low72 Ų72120.3 Ų120.360%0.59566%0.656SS**SBendtrans-82.2-9.317600000114.3E22 M23 P28E22-A26 PolarHBondContact O-N 3.29Å; M23-A26 PolarHBondContact O-N 2.92Å; A26-P28 WeakPolarHBondContact O-CD 3.38Å
27V41.7Very low51.1Low100 Ų100121.2 Ų121.261%0.60667%0.669SS**SBendtrans-79.4118.1169.8177.20000109M23 F29M23-V27 PolarHBondContact O-N 2.86Å; V27-F29 PolarHBondContact O-N 3.1Å
28P41.1Very low50Low90 Ų90119.6 Ų119.658%0.58468%0.677SS**  trans-66.3107.8171.527.4-33000109A26 F30A26-P28 WeakPolarHBondContact O-CD 3.38Å; P28-F30 HydrophobicContact CB-CD2 4.12Å; P28-F30 HydrophobicContact CB-CE2 3.91Å; P28-F30 HydrophobicContact CG-CD2 4.13Å; P28-F30 HydrophobicContact CG-CE2 3.74Å; P28-F30 WeakPolarHBondContact O-CD2 3.28Å; P28-F30 PolarHBondContact O-N 3.03Å
29F40.7Very low48.6Very low185 Ų185123 Ų12381%0.81169%0.693SS**  trans-68.781.3167.8-169.7-89.6000108.6V27 P31V27-F29 PolarHBondContact O-N 3.1Å; F29-P31 VanDerWaalsContact O-CD 3.23Å; F29-P31 WeakPolarHBondContact O-CD 3.19Å
30F43.3Very low47.6Very low168 Ų168124.2 Ų124.274%0.73771%0.707SS**  trans-59.5115.8163.3-76-83.6000107.1P28 Q32P28-F30 HydrophobicContact CB-CD2 4.12Å; P28-F30 HydrophobicContact CB-CE2 3.91Å; P28-F30 HydrophobicContact CG-CD2 4.13Å; P28-F30 HydrophobicContact CG-CE2 3.74Å; P28-F30 WeakPolarHBondContact O-CD2 3.28Å; P28-F30 PolarHBondContact O-N 3.03Å; F30-Q32 PolarHBondContact O-N 2.83Å
31P39.3Very low46.4Very low92 Ų92124.4 Ų124.460%0.59772%0.719SS**  trans-62118.1168.627.2-32000106.8F29 Q33F29-P31 VanDerWaalsContact O-CD 3.23Å; F29-P31 WeakPolarHBondContact O-CD 3.19Å; P31-Q33 PolarHBondContact O-N 3.42Å
32Q39.8Very low45.6Very low191 Ų191125.6 Ų125.689%0.89373%0.725SS**  trans-62.393.7162.5-79.2-174.5-26.200106.9F30 T34F30-Q32 PolarHBondContact O-N 2.83Å; Q32-T34 VanDerWaalsContact C-N 3.34Å; Q32-T34 PolarHBondContact O-N 3.46Å
33Q38.6Very low45.2Very low177 Ų177122.2 Ų122.283%0.82772%0.717SS**  trans-63102.8163.9-74.1-170.1-2700106.5P31 G35P31-Q33 PolarHBondContact O-N 3.42Å; Q33-G35 PolarHBondContact O-N 2.8Å
34T40.4Very low45.2Very low132 Ų132122.5 Ų122.581%0.8172%0.72SS**  trans-51105.4168.1-53.20000107.4Q32 T36Q32-T34 VanDerWaalsContact C-N 3.34Å; Q32-T34 PolarHBondContact O-N 3.46Å; T34-T36 PolarHBondContact O-N 2.76Å
35G40.7Very low45.4Very low66 Ų66122.8 Ų122.868%0.6871%0.712SS**  trans-61.9107.3-166.400000111.2Q33 P37Q33-G35 PolarHBondContact O-N 2.8Å; G35-P37 VanDerWaalsContact O-CD 3.28Å; G35-P37 WeakPolarHBondContact O-CD 3.41Å
36T41.3Very low45.6Very low131 Ų131118.1 Ų118.180%0.80470%0.698SS**  trans-69.3112.9169.133.80000108.2T34 G38T34-T36 PolarHBondContact O-N 2.76Å; T36-G38 PolarHBondContact O-N 3.31Å; T36-G38 VanDerWaalsContact O-N 3.17Å
37P46.9Very low45.7Very low129 Ų129120.5 Ų120.584%0.83870%0.698SS**  trans-75.8112.3-171.829.7-33.2000110.4G35G35-P37 VanDerWaalsContact O-CD 3.28Å; G35-P37 WeakPolarHBondContact O-CD 3.41Å
38G50.9Low46.5Very low69 Ų69124.7 Ų124.771%0.71170%0.703SS**  trans77.290.4165.300000115.9T36T36-G38 PolarHBondContact O-N 3.31Å; T36-G38 VanDerWaalsContact O-N 3.17Å
39M42.4Very low46.8Very low171 Ų171126.6 Ų126.684%0.84270%0.704SS**  trans-111.7109.7144.7-77.2-64.4-70.200107.5
40A45.3Very low47.4Very low86 Ų86124.1 Ų124.171%0.71170%0.699SS**  trans-70.8164.7-176.300000112.1L42A40-L42 PolarHBondContact O-N 3.4Å
41S44.8Very low48Very low123 Ų123119.4 Ų119.486%0.8670%0.697SS**  trans-58.1100.917452.10000111.7S43S41-S43 PolarHBondContact O-N 3.24Å
42L50Low48.6Very low123 Ų123119.4 Ų119.464%0.64470%0.7SS**  trans-69.1123.4166.2-74170.6000108.8A40 T46A40-L42 PolarHBondContact O-N 3.4Å; L42-T46 HydrophobicContact CD2-CG2 4.41Å
43S50.5Low49Very low71 Ų71116.3 Ų116.350%0.49769%0.689SS.*  trans-63.4145.6177.6-179.20000110.8S41 E45 T46 M47S41-S43 PolarHBondContact O-N 3.24Å; S43-E45 PolarHBondContact O-N 3.47Å; S43-E45 VanDerWaalsContact O-N 3.14Å; S43-E45 PolarHBondContact OG-N 3.25Å; S43-T46 WeakPolarHBondContact O-CB 3.49Å; S43-T46 PolarHBondContact O-N 3.28Å; S43-M47 PolarHBondContact O-N 3.31Å
44L56.8Low49.8Very low140 Ų140117.5 Ų117.573%0.73369%0.694SS**Hα-helixtrans-54.1-31171.6-94.4162.8000112.1T46 M47 R48L44-T46 VanDerWaalsContact C-N 3.33Å; L44-T46 PolarHBondContact O-N 2.79Å; L44-M47 HydrophobicContact CD2-CE 4.01Å; L44-M47 PolarHBondContact O-N 3.11Å; L44-R48 PolarHBondContact O-N 3.06Å; L44-R48 VanDerWaalsContact O-N 3.11Å
45E56.2Low50.4Low91 Ų91114.2 Ų114.243%0.42569%0.686SS.*Hα-helixtrans-66.7-33.3176.9-166.354.3-150.300112.4S43 R48 Q49S43-E45 PolarHBondContact O-N 3.47Å; S43-E45 VanDerWaalsContact O-N 3.14Å; S43-E45 PolarHBondContact OG-N 3.25Å; E45-R48 VanDerWaalsContact O-CB 3.31Å; E45-R48 WeakPolarHBondContact O-CB 3.27Å; E45-R48 PolarHBondContact O-N 3.45Å; E45-R48 IonicContact OE2-NH1 2.8Å; E45-Q49 PolarHBondContact O-N 3.33Å
46T56.9Low50.6Low74 Ų74117.6 Ų117.645%0.45469%0.688SS.*Hα-helixtrans-67.5-37.7176.1-47.20000111.8L42 S43 L44 R48 L50L42-T46 HydrophobicContact CD2-CG2 4.41Å; S43-T46 WeakPolarHBondContact O-CB 3.49Å; S43-T46 PolarHBondContact O-N 3.28Å; L44-T46 VanDerWaalsContact C-N 3.33Å; L44-T46 PolarHBondContact O-N 2.79Å; T46-R48 VanDerWaalsContact C-N 3.33Å; T46-L50 PolarHBondContact O-N 3.39Å
47M52.9Low50.7Low121 Ų121118.5 Ų118.560%0.59669%0.688SS**Hα-helixtrans-67.4-34.8171.5-79.4-167.5-74.900112.1S43 L44 L50 G51S43-M47 PolarHBondContact O-N 3.31Å; L44-M47 HydrophobicContact CD2-CE 4.01Å; L44-M47 PolarHBondContact O-N 3.11Å; M47-L50 PolarHBondContact O-N 3.5Å; M47-G51 PolarHBondContact O-N 3.28Å; M47-G51 VanDerWaalsContact O-N 3.09Å
48R56.9Low50.6Low189 Ų189118 Ų11871%0.71368%0.683SS**Hα-helixtrans-62.1-45.5176.2-126.5179.4-166.4165.33.3112.3L44 E45 T46 L50 G51 S52L44-R48 PolarHBondContact O-N 3.06Å; L44-R48 VanDerWaalsContact O-N 3.11Å; E45-R48 VanDerWaalsContact O-CB 3.31Å; E45-R48 WeakPolarHBondContact O-CB 3.27Å; E45-R48 PolarHBondContact O-N 3.45Å; E45-R48 IonicContact OE2-NH1 2.8Å; T46-R48 VanDerWaalsContact C-N 3.33Å; R48-L50 VanDerWaalsContact C-N 3.35Å; R48-L50 PolarHBondContact O-N 2.96Å; R48-G51 PolarHBondContact O-N 2.8Å; R48-S52 PolarHBondContact O-N 3.44Å
49Q49.1Very low50.3Low130 Ų130121.6 Ų121.661%0.60769%0.685SS**Hα-helixtrans-65.9-36.4177.5-68.1-176.49.600112.2E45 G51 S52E45-Q49 PolarHBondContact O-N 3.33Å; Q49-G51 VanDerWaalsContact C-N 3.31Å; Q49-G51 PolarHBondContact O-N 3.17Å; Q49-S52 VanDerWaalsContact O-CB 3.32Å; Q49-S52 WeakPolarHBondContact O-CB 3.32Å; Q49-S52 PolarHBondContact O-N 2.86Å
50L53.3Low50.1Low132 Ų132118.3 Ų118.369%0.69168%0.679SS**Hα-helixtrans-65.8-34175.2-156.572.4000112.3T46 M47 R48 S52T46-L50 PolarHBondContact O-N 3.39Å; M47-L50 PolarHBondContact O-N 3.5Å; R48-L50 VanDerWaalsContact C-N 3.35Å; R48-L50 PolarHBondContact O-N 2.96Å; L50-S52 PolarHBondContact O-N 2.95Å
51G55.7Low50Low69 Ų69122.7 Ų122.771%0.71168%0.684SS**Hα-helixtrans-70.4-13.917100000114.9M47 R48 Q49M47-G51 PolarHBondContact O-N 3.28Å; M47-G51 VanDerWaalsContact O-N 3.09Å; R48-G51 PolarHBondContact O-N 2.8Å; Q49-G51 VanDerWaalsContact C-N 3.31Å; Q49-G51 PolarHBondContact O-N 3.17Å
52S51.1Low49.8Very low92 Ų92127.6 Ų127.664%0.64369%0.686SS**THydrogen-bonded Turntrans-84.5-7.3179.6-165.60000113.8R48 Q49 L50 Q54R48-S52 PolarHBondContact O-N 3.44Å; Q49-S52 VanDerWaalsContact O-CB 3.32Å; Q49-S52 WeakPolarHBondContact O-CB 3.32Å; Q49-S52 PolarHBondContact O-N 2.86Å; L50-S52 PolarHBondContact O-N 2.95Å; S52-Q54 VanDerWaalsContact C-N 3.29Å; S52-Q54 PolarHBondContact O-N 3.02Å
53L49Very low49.1Very low127 Ų127126.8 Ų126.867%0.66569%0.69SS**  trans-78.178.8176.3-76.7168.9000111G55L53-G55 PolarHBondContact O-N 2.97Å
54Q54.2Low48.8Very low202 Ų202135.3 Ų135.394%0.94471%0.712SS**THydrogen-bonded Turntrans-6964.3179.8-167.3173.20.900112.4S52S52-Q54 VanDerWaalsContact C-N 3.29Å; S52-Q54 PolarHBondContact O-N 3.02Å
55G53.4Low48Very low62 Ų62137.6 Ų137.664%0.63972%0.716SS**THydrogen-bonded Turntrans-152.1-2.5-17300000117.4L53L53-G55 PolarHBondContact O-N 2.97Å
56L45.9Very low47.1Very low138 Ų138136.7 Ų136.772%0.72373%0.731SS**  trans-108.831.2-176.9-67.1177.9000114.3T58L56-T58 PolarHBondContact O-N 3.39Å
57N43.1Very low46.4Very low149 Ų149144 Ų14480%0.79776%0.757SS**THydrogen-bonded Turntrans-80.539.8-177-151.50.6000113.5
58T44.1Very low45.7Very low120 Ų120141.4 Ų141.474%0.73676%0.761SS**THydrogen-bonded Turntrans-131.52.4-169.849.80000114.6L56L56-T58 PolarHBondContact O-N 3.39Å
59L44.1Very low44.8Very low143 Ų143140.4 Ų140.475%0.74976%0.762SS**  trans-111.37.7-179.7-68176.8000114.8Q61L59-Q61 PolarHBondContact O-N 3.17Å
60S39.2Very low44.2Very low102 Ų102139.7 Ų139.771%0.71377%0.771SS**THydrogen-bonded Turntrans-73.833.7-176.5-540000115.6
61Q42.5Very low43.7Very low178 Ų178141.2 Ų141.283%0.83277%0.773SS**THydrogen-bonded Turntrans-129-4.9175.8-72.6-161.6-10.900115.9L59L59-Q61 PolarHBondContact O-N 3.17Å
62Y40.2Very low43Very low227 Ų227145 Ų14589%0.8978%0.777SS**  trans-129.671.8175.9-82.9-83.3000113.6
63S35.9Very low42.4Very low106 Ų106146.4 Ų146.474%0.74179%0.786SS**  trans-146.682.5155.4-1680000111.1
64R44.6Very low41.9Very low250 Ų250146.5 Ų146.594%0.94379%0.787SS**  trans-9921.8173.8-151.3-177.2-173.7174.83.5112.5
65F39.9Very low41.5Very low188 Ų188149.2 Ų149.283%0.82579%0.789SS**SBendtrans-141.892.6177.7-103.1-84.2000109.9
66G36.7Very low41.3Very low71 Ų71153.1 Ų153.173%0.73279%0.792SS**  trans-67.7129.4173.500000111.3G68G66-G68 PolarHBondContact O-N 3.3Å; G66-G68 VanDerWaalsContact O-N 3.07Å
67F42.8Very low40.9Very low227 Ų227154 Ų154100%0.99679%0.792SS**SBendtrans-81.285.2177.1-137.2-91.3000109.5
68G37.5Very low41Very low67 Ų67150.2 Ų150.269%0.69179%0.788SS**  trans-165.266.4-173.300000112.9G66G66-G68 PolarHBondContact O-N 3.3Å; G66-G68 VanDerWaalsContact O-N 3.07Å
69K38.7Very low41.3Very low168 Ų168152.9 Ų152.973%0.7380%0.797SS**  trans-91.1109.6-176.6-78167.2162.4176.60112.3F71K69-F71 HydrophobicContact CB-CD2 4.16Å; K69-F71 HydrophobicContact CD-CD2 3.9Å; K69-F71 HydrophobicContact CD-CE2 3.57Å; K69-F71 HydrophobicContact CD-CZ 4.34Å; K69-F71 HydrophobicContact CG-CD2 4.35Å; K69-F71 HydrophobicContact CG-CE2 4.31Å; K69-F71 PolarHBondContact O-N 3.08Å
70S36.8Very low41.2Very low115 Ų115153.2 Ų153.280%0.80480%0.799SS**  trans-85.176.8154.345.10000109.9N72S70-N72 PolarHBondContact O-N 3.32Å
71F43.2Very low41.3Very low165 Ų165152.2 Ų152.272%0.72479%0.789SS**  trans-73.180.1169.8-90-50.8000110.4K69K69-F71 HydrophobicContact CB-CD2 4.16Å; K69-F71 HydrophobicContact CD-CD2 3.9Å; K69-F71 HydrophobicContact CD-CE2 3.57Å; K69-F71 HydrophobicContact CD-CZ 4.34Å; K69-F71 HydrophobicContact CG-CD2 4.35Å; K69-F71 HydrophobicContact CG-CE2 4.31Å; K69-F71 PolarHBondContact O-N 3.08Å
72N39.9Very low41.5Very low149 Ų149150.1 Ų150.180%0.79779%0.791SS**  trans-161.967.1160.2-107.5-33.1000111.5S70S70-N72 PolarHBondContact O-N 3.32Å
73S38.2Very low41.5Very low121 Ų121146.5 Ų146.585%0.84678%0.782SS**  trans-101.2114.6156.2-61.70000107
74L39.2Very low41.6Very low128 Ų128146.5 Ų146.567%0.6778%0.782SS**  trans-58.2148.2-177.6-98.164.2000112.1M76L74-M76 HydrophobicContact CB-CB 4.46Å; L74-M76 PolarHBondContact O-N 2.92Å
75W46.3Very low41.3Very low260 Ų260139.9 Ų139.999%0.98577%0.774SS**SBendtrans-63.684.5147.8-98.272000109.1
76M47.8Very low41.5Very low143 Ų143134.9 Ų134.970%0.70476%0.761SS**  trans-160.8173.9162.5-94.8-44.2-165.900110L74L74-M76 HydrophobicContact CB-CB 4.46Å; L74-M76 PolarHBondContact O-N 2.92Å
77H38.1Very low42Very low158 Ų158136.8 Ų136.873%0.73176%0.76SS**  trans72.148.8177.1-45.9-68.1000116.2
78G44.4Very low42Very low69 Ų69137.1 Ų137.171%0.71176%0.755SS**  -65.3154.6129.500000109.8
79L51.9Low42.2Very low175 Ų175142 Ų14292%0.91676%0.762SS**SBendtrans76.248.3174.8-47.7178.2000118.2
80L40.6Very low42.2Very low151 Ų151144.1 Ų144.179%0.79177%0.765SS**  trans-139.6152.7151.5-80-177.8000111.9
81P41.3Very low42.3Very low80 Ų80144.5 Ų144.552%0.51977%0.765SS.*  trans-78.9160.8178.7-7.625.7000113H83P81-H83 PolarHBondContact O-CD2 2.99Å; P81-H83 PolarHBondContact O-N 3.33Å
82P46.7Very low42.4Very low134 Ų134146.9 Ų146.987%0.8777%0.769SS**  trans-78.783.8-177.832.9-35.8000112.2S84P82-S84 PolarHBondContact O-N 3.43Å
83H41.1Very low42.6Very low152 Ų152148.5 Ų148.570%0.70477%0.772SS**  trans-86.1107.3176.6-68.9-77.6000112.4P81P81-H83 PolarHBondContact O-CD2 2.99Å; P81-H83 PolarHBondContact O-N 3.33Å
84S38.7Very low42.9Very low106 Ų106150.8 Ų150.874%0.74177%0.769SS**  trans20.911314754.20000118.3P82P82-S84 PolarHBondContact O-N 3.43Å
85S37.8Very low43.1Very low110 Ų110151.7 Ų151.777%0.76977%0.77SS**  trans-67.3142165.445.80000112
86P44.1Very low43.1Very low83 Ų83146 Ų14654%0.53976%0.764SS.*  trans-69.2146.6174.528.7-34.4000111.1W88P86-W88 PolarHBondContact O-N 3.49Å
87P46.5Very low42.8Very low111 Ų111145.6 Ų145.672%0.72176%0.76SS**THydrogen-bonded Turntrans-69.8-8.4-170.227.8-36.1000115M89P87-M89 VanDerWaalsContact C-N 3.32Å; P87-M89 PolarHBondContact O-N 2.95Å
88W44.2Very low43.2Very low234 Ų234147.1 Ų147.189%0.88677%0.768SS**THydrogen-bonded Turntrans-78.8-7.2-178-60.8-36.9000114.8P86P86-W88 PolarHBondContact O-N 3.49Å
89M39.9Very low43Very low171 Ų171154.4 Ų154.484%0.84278%0.775SS**  trans-101.253.6174.2-81.3-73.2-164.400112.6P87P87-M89 VanDerWaalsContact C-N 3.32Å; P87-M89 PolarHBondContact O-N 2.95Å
90R39.9Very low42.7Very low212 Ų212154.6 Ų154.680%0.877%0.771SS**SBendtrans-104.7132.6153.9-69.3-168.5-165.5158.86.6108.9R92R90-R92 PolarHBondContact O-N 3.36Å; R90-R92 VanDerWaalsContact O-N 3.08Å
91P38.5Very low42.7Very low123 Ų123158.3 Ų158.380%0.79978%0.777SS**  trans-57.4115.4157.6-16.230.2000107.3E93P91-E93 PolarHBondContact O-N 3.14Å
92R44.3Very low43.1Very low214 Ų214160.4 Ų160.481%0.80879%0.793SS**  trans-76115.6169.6-147.8-179-165.2-172.34.1106.2R90 H94R90-R92 PolarHBondContact O-N 3.36Å; R90-R92 VanDerWaalsContact O-N 3.08Å; R92-H94 PolarHBondContact O-CD2 3.11Å; R92-H94 VanDerWaalsContact O-CD2 3.28Å; R92-H94 PolarHBondContact O-N 3.19Å
93E45.4Very low43.7Very low184 Ų184161.1 Ų161.186%0.8679%0.789SS**  trans-58.5104.2168.9-72.4153.1-140.100107.2P91 E95P91-E93 PolarHBondContact O-N 3.14Å; E93-E95 VanDerWaalsContact C-N 3.34Å; E93-E95 PolarHBondContact O-N 3.04Å
94H43.9Very low44.1Very low169 Ų169159.3 Ų159.378%0.78279%0.79SS**  trans-7592.2-179.3-91.2-92.8000108.5R92 T96R92-H94 PolarHBondContact O-CD2 3.11Å; R92-H94 VanDerWaalsContact O-CD2 3.28Å; R92-H94 PolarHBondContact O-N 3.19Å; H94-T96 PolarHBondContact O-N 3.47Å
95E43.2Very low44.9Very low147 Ų147161 Ų16169%0.68780%0.796SS**  trans-47.1136.3166.4-64.4-172.4158.500109.9E93 Q97E93-E95 VanDerWaalsContact C-N 3.34Å; E93-E95 PolarHBondContact O-N 3.04Å; E95-Q97 HydrophobicContact CB-CG 4Å; E95-Q97 PolarHBondContact O-N 3.35Å; E95-Q97 PolarHBondContact OE2-NE2 3.25Å
96T47.4Very low45.6Very low139 Ų139163.7 Ų163.785%0.85380%0.796SS**  trans-77.555.2-17954.20000111.5H94 Q98H94-T96 PolarHBondContact O-N 3.47Å; T96-Q98 PolarHBondContact O-N 3.49Å
97Q41.6Very low46.3Very low135 Ų135164.9 Ų164.963%0.63180%0.804SS**  trans-76.6115.2172.6-63.1-75.3-5.300108.4E95 Y99E95-Q97 HydrophobicContact CB-CG 4Å; E95-Q97 PolarHBondContact O-N 3.35Å; E95-Q97 PolarHBondContact OE2-NE2 3.25Å; Q97-Y99 PolarHBondContact O-N 3.26Å
98Q45Very low46.6Very low191 Ų191165 Ų16589%0.89381%0.805SS**  trans-69114-176-64.7158.9-104.500110.2T96 E100T96-Q98 PolarHBondContact O-N 3.49Å; Q98-E100 PolarHBondContact O-N 3.09Å; Q98-E100 VanDerWaalsContact O-N 3.1Å
99Y41.6Very low46.9Very low222 Ų222160.1 Ų160.187%0.87180%0.803SS**  trans-74.2102.5169.5-89.7-90.5000109.9Q97Q97-Y99 PolarHBondContact O-N 3.26Å
100E44.4Very low47.4Very low179 Ų179159.6 Ų159.684%0.83680%0.803SS**  trans-63.9140.2175.5-151.4169.2-161.100110.5Q98 S102Q98-E100 PolarHBondContact O-N 3.09Å; Q98-E100 VanDerWaalsContact O-N 3.1Å; E100-S102 PolarHBondContact O-N 3.36Å
101Y41.7Very low47.7Very low229 Ų229154.9 Ų154.990%0.89880%0.8SS**  trans-68.993.1-173-84.1-97.9000111.6L103Y101-L103 PolarHBondContact O-N 3.05Å; Y101-L103 VanDerWaalsContact O-N 3.15Å
102S50.1Low47.8Very low123 Ų123154.6 Ų154.686%0.8680%0.8SS**  trans-64.1112.1168.3-68.40000109.9E100E100-S102 PolarHBondContact O-N 3.36Å
103L58.7Low47.6Very low150 Ų150153 Ų15379%0.78580%0.802SS**  trans-58.4154.5179.5-74.5163.5000112.1Y101 V105Y101-L103 PolarHBondContact O-N 3.05Å; Y101-L103 VanDerWaalsContact O-N 3.15Å; L103-V105 PolarHBondContact O-N 3.41Å; L103-V105 VanDerWaalsContact O-N 3.09Å
104P50Low47.6Very low113 Ų113150.2 Ų150.273%0.73480%0.8SS**  trans-55.8117.2175.2-24.434.5000111.6H106P104-H106 PolarHBondContact O-N 2.9Å; P104-H106 VanDerWaalsContact O-N 3.1Å
105V54Low47.2Very low143 Ų143147.6 Ų147.687%0.86780%0.801SS**  trans-67.8109.8176.9-179.50000108.6L103L103-V105 PolarHBondContact O-N 3.41Å; L103-V105 VanDerWaalsContact O-N 3.09Å
106H53.2Low47.2Very low165 Ų165148.6 Ų148.676%0.76481%0.81SS**PPolyproline II helixtrans-63.3139.9174.8-79.2-88.7000110.9P104P104-H106 PolarHBondContact O-N 2.9Å; P104-H106 VanDerWaalsContact O-N 3.1Å
107P58Low46.8Very low108 Ų108151 Ų15170%0.70181%0.809SS**PPolyproline II helixtrans-64.1151.3168.329.1-34.6000110.4
108P52.7Low46.7Very low114 Ų114150.5 Ų150.574%0.7482%0.817SS**PPolyproline II helixtrans-63.9145.1-177.226.5-34.9000111.9L110P108-L110 PolarHBondContact O-N 2.93Å
109P51.6Low46.3Very low131 Ų131150.4 Ų150.485%0.85182%0.817SS**PPolyproline II helixtrans-68.7130.2-179.327.9-34.2000111.6
110L50.8Low46.1Very low160 Ų160148.4 Ų148.484%0.83882%0.815SS**PPolyproline II helixtrans-67152.8171.1-71.5172.7000111.1P108 S112P108-L110 PolarHBondContact O-N 2.93Å; L110-S112 PolarHBondContact O-N 3.42Å; L110-S112 VanDerWaalsContact O-N 3.1Å
111P44.8Very low45.7Very low114 Ų114146.5 Ų146.574%0.7482%0.818SS**SBendtrans-63.8113-170.923.4-34.1000113.6
112S40.9Very low45.2Very low116 Ų116138.5 Ų138.581%0.81181%0.806SS**  trans26.794.1152.860.20000117.9L110L110-S112 PolarHBondContact O-N 3.42Å; L110-S112 VanDerWaalsContact O-N 3.1Å
113Q41.2Very low44.4Very low181 Ų181140.3 Ų140.385%0.84681%0.805SS**  trans-96.9151.5147.5-71.5-162.312.600110
114P44Very low43.1Very low125 Ų125142.1 Ų142.181%0.81281%0.807SS**  trans-67.7132.8-172.425.9-34.5000113L116P114-L116 PolarHBondContact O-N 2.95Å; P114-L116 VanDerWaalsContact O-N 3.17Å
115S36.3Very low42.5Very low115 Ų115141.6 Ų141.680%0.80480%0.803SS**  trans-67.3109.1-172.7-530000114.1K117S115-K117 PolarHBondContact O-N 3.01Å
116L42.8Very low41.3Very low168 Ų168144 Ų14488%0.8880%0.802SS**  trans-71.8111.7153.1-74.3170.1000108.6P114 P118P114-L116 PolarHBondContact O-N 2.95Å; P114-L116 VanDerWaalsContact O-N 3.17Å; L116-P118 WeakPolarHBondContact O-CD 3.21Å
117K39.8Very low40.5Very low190 Ų190144.7 Ų144.783%0.82681%0.811SS**PPolyproline II helixtrans-65.1124.9178.6-66.3-179.5178.4177.30110.4S115 Q119S115-K117 PolarHBondContact O-N 3.01Å; K117-Q119 PolarHBondContact O-N 3.31Å
118P39.8Very low39.1Very low124 Ų124148.4 Ų148.481%0.80582%0.819SS**PPolyproline II helixtrans-65.9120.4161.8-15.230.4000108.7L116 Q120L116-P118 WeakPolarHBondContact O-CD 3.21Å; P118-Q120 PolarHBondContact O-N 3.11Å
119Q36.3Very low37.9Very low189 Ų189147.7 Ų147.788%0.88382%0.822SS**PPolyproline II helixtrans-68.8125.8163.9-72.8-176.9-88.600108.2K117K117-Q119 PolarHBondContact O-N 3.31Å
120Q37.8Very low36.7Very low179 Ų179146.3 Ų146.384%0.83682%0.822SS**PPolyproline II helixtrans-65.4139166.9-71.9-174-12.800109.4P118 G122P118-Q120 PolarHBondContact O-N 3.11Å; Q120-G122 PolarHBondContact O-N 3.38Å
121P34.2Very low35.7Very low139 Ų139143.4 Ų143.490%0.90382%0.821SS**  trans-75.163.8173.932.1-35.4000111.2L123P121-L123 PolarHBondContact O-N 3.35Å
122G32.2Very low34.8Very low62 Ų62142.4 Ų142.464%0.63982%0.822SS**  trans-95.882.1-178.400000113.1Q120Q120-G122 PolarHBondContact O-N 3.38Å
123L33.8Very low34.2Very low160 Ų160144 Ų14484%0.83883%0.827SS**  trans-142.9143.7165.9-69.3177.6000107.6P121P121-L123 PolarHBondContact O-N 3.35Å
124K30.6Very low33.6Very low189 Ų189139.6 Ų139.682%0.82282%0.822SS**  cis-137.6149.321.1-58.6161.9-173.3172.10110.4
125P37.6Very low32.8Very low102 Ų102141.6 Ų141.666%0.66283%0.826SS**  -119.9-178.2117.132.8-30.1000112.4
126F28.7Very low32.5Very low194 Ų194145.7 Ų145.785%0.85183%0.832SS**  trans70.392.8177-56.1-73.8000117.7
127L35.9Very low31.8Very low179 Ų179141.7 Ų141.794%0.93782%0.824SS**  trans-102.5107.2137.7-80.5173000108
128Q29.7Very low31.3Very low186 Ų186139.5 Ų139.587%0.86983%0.826SS**  trans-166.2143.3154.8-126178.315.100112.9
129A27.6Very low30.7Very low99 Ų99137.9 Ų137.982%0.81882%0.823SS**  trans61.1145.716600000117.6
130A26.1Very low30.5Very low102 Ų102138.2 Ų138.284%0.84383%0.825SS**  cis-153.8166-22.300000108.2
131A29Very low30Very low98 Ų98138.1 Ų138.181%0.8182%0.822SS**  trans-95.3174.7-173.600000114.2
132A27.3Very low29.5Very low94 Ų94138.8 Ų138.878%0.77781%0.813SS**  trans79.7101.1157.600000119.6
133T28Very low29.3Very low148 Ų148140 Ų14091%0.90882%0.817SS**  -168.9139.3125.814.50000108.4
134A27.5Very low29.1Very low90 Ų90139.9 Ų139.974%0.74482%0.817SS**  cis-145.4154.9-10.600000109.5
135D27.9Very low29.1Very low167 Ų167139.8 Ų139.889%0.89382%0.819SS**  trans-76.4134.4167-65.8-78.6000110.8
136E29.9Very low29.5Very low200 Ų200140 Ų14094%0.93582%0.82SS**  trans-133.9132.1140.7-165.9173.4149.700108.4
137A27.3Very low30.5Very low85 Ų85135.9 Ų135.970%0.70281%0.813SS**  trans-108.4141.9-167.100000112.3
138T29.6Very low30.1Very low143 Ų143134.6 Ų134.688%0.87781%0.806SS**  trans-148.3122139.4-73.60000108.1
139A27.3Very low30.4Very low90 Ų90135 Ų13574%0.74481%0.807SS**  trans-91147.2-178.400000111.8
140Q31.7Very low30.6Very low197 Ų197138.2 Ų138.292%0.92181%0.81SS**  trans-132.4157.3137.8-75-150.4-0.400110.8
141K27.2Very low30.5Very low177 Ų177135.8 Ų135.877%0.7779%0.794SS**  trans-62.6137.2-166.3-83.3-168.9168-122.60113.2
142E24.4Very low30.7Very low152 Ų152140 Ų14071%0.7180%0.797SS**  84.713557.3-173.3-174.3-153.200112.2
143A27.3Very low30.8Very low88 Ų88142.1 Ų142.173%0.72780%0.795SS**  trans70.4142.9-177.400000117.5
144L31.4Very low30.7Very low158 Ų158141.6 Ų141.683%0.82779%0.786SS**  cis-171.4108.4-35.1-117.5161.2000109.4
145Q29.3Very low30.8Very low186 Ų186143.2 Ų143.287%0.86978%0.781SS**  trans64.5170.1159.6-87.4-150.7-9.100120.3
146P46.2Very low30.8Very low106 Ų106142.9 Ų142.969%0.68877%0.774SS**  trans-125.3-146.4-149.449.1-35.6000111.9
147P49Very low30.7Very low109 Ų109141.6 Ų141.671%0.70877%0.768SS**  cis-118.9-163.9-29.940.6-25.5000111.1
148I28.8Very low30.8Very low152 Ų152141.1 Ų141.178%0.77977%0.771SS**  trans171.7149.5137.7-92.7157.5000112.3
149H36.2Very low30.6Very low195 Ų195143.3 Ų143.390%0.90377%0.772SS**  trans-98.7134.9167.4-79.1-101.2000111.7
150L30.4Very low30.6Very low166 Ų166146.7 Ų146.787%0.86978%0.776SS**  trans-161.5143166.7-159147.9000108.9
151G25.4Very low31.4Very low50 Ų50142.8 Ų142.852%0.51577%0.768SS.*  cis147.5100.5-9.100000113.5
152Q32.2Very low31.4Very low186 Ų186141.9 Ų141.987%0.86977%0.771SS**  trans69.4164.4172.1-46.3173.51500113.8
153L29.6Very low31.6Very low140 Ų140140.5 Ų140.573%0.73377%0.772SS**  cis-127.9-17612.1-75.6161.5000110.1
154L27Very low32Very low137 Ų137144.3 Ų144.372%0.71778%0.775SS**  cis-157.2172.921.9-161.790.4000112
155L29Very low31.9Very low124 Ų124146 Ų14665%0.64978%0.779SS**  trans-30.7165.8161.7-78.553000117.2
156Q28Very low32.1Very low159 Ų159145.5 Ų145.574%0.74378%0.776SS**  cis-147.2-178.93.8-125.9163.610.400107.9
157E27.6Very low31.3Very low174 Ų174147.4 Ų147.481%0.81379%0.786SS**  cis-170.6145.144.4-164.5168.5118.300111.3
158G28.4Very low30.5Very low74 Ų74146.2 Ų146.276%0.76379%0.785SS**  trans58.2141158.400000121
159E25.3Very low30.8Very low190 Ų190145.4 Ų145.489%0.88879%0.79SS**  cis-159.8161.9-9.9-163.4177.2150.800108.7
160L29.2Very low30.6Very low161 Ų161141.7 Ų141.784%0.84379%0.786SS**  trans-147.5160.1178-77.1174.3000109.8
161P47.6Very low30.7Very low115 Ų115141 Ų14175%0.74778%0.783SS**  cis-125.4-153.1-41.639.3-22.8000109.2
162L26.6Very low31.4Very low157 Ų157147.3 Ų147.382%0.82280%0.796SS**  trans151160.1131.9-160.965.7000113.7
163V29.8Very low31.6Very low123 Ų123144.1 Ų144.175%0.74579%0.792SS**  trans84.4123.8162.5-169.10000117.8
164Q34.6Very low32.1Very low169 Ų169143.3 Ų143.379%0.7980%0.795SS**  trans-82.9152166.6-46.8167.619.700110.7
165Q30.6Very low32.6Very low193 Ų193144.7 Ų144.790%0.90280%0.795SS**  -155146.9120.7-129.9155.2107.300114.9
166Q32.9Very low32.9Very low175 Ų175144.5 Ų144.582%0.81880%0.801SS**  trans-112.3130.1177.2168.8-168.67.300107.9
167V29.7Very low33.2Very low146 Ų146144.6 Ų144.689%0.88580%0.802SS**  trans-172.6148.3152.4133.50000108.8
168A31.5Very low33.9Very low84 Ų84144.4 Ų144.469%0.69481%0.805SS**  trans-106.5155.5-176.800000112.6
169P35.5Very low34.3Very low136 Ų136146.7 Ų146.788%0.88381%0.807SS**  trans-67.2143.9171.1-17.131.6000112.3
170S30.9Very low34.8Very low117 Ų117141.5 Ų141.582%0.81880%0.804SS**  trans-101.5143.2169.1174.40000109.3
171D34.1Very low35.1Very low151 Ų151138.5 Ų138.581%0.80780%0.803SS**  trans-128.6151176.7-145.5-26.1000112.4
172K38.6Very low34.7Very low183 Ų183141 Ų14180%0.79681%0.809SS**  trans-151.4136.6177.9-79.2-175.1-179.5175.50109.1
173P37.7Very low35.1Very low118 Ų118140.4 Ų140.477%0.76681%0.812SS**  trans-131.1-157.4134.444.7-34.3000110.1
174P39.5Very low35.3Very low124 Ų124138.9 Ų138.981%0.80581%0.813SS**  -117.9-179.7-120.317.78.8000114.5
175K36.6Very low35.5Very low166 Ų166137.4 Ų137.472%0.72281%0.81SS**  trans-104.7125.8-176.6179.4-161.7170.2-145.20111.2E177K175-E177 IonicContact NZ-OE1 3.69Å
176P36.6Very low35.9Very low119 Ų119133.9 Ų133.977%0.77380%0.804SS**  trans-81.8160.8163.6-11.128.9000112.6
177E34.4Very low36.3Very low161 Ų161134 Ų13475%0.75281%0.805SS**  trans-116.7158179.8-56.1-166.4126.600111.5K175K175-E177 IonicContact NZ-OE1 3.69Å
178L41.1Very low36.3Very low170 Ų170130 Ų13089%0.8979%0.794SS**PPolyproline II helixtrans-99.4132.1-178.1-71.3174.8000111.2
179P36.7Very low36.8Very low122 Ų122132 Ų13279%0.79280%0.8SS**PPolyproline II helixtrans-79.7133.8153.133-29.3000109.5
180G36.9Very low37Very low81 Ų81131.6 Ų131.684%0.83580%0.797SS**PPolyproline II helixtrans-92.4156.3173.300000112.5
181A34.7Very low37.3Very low98 Ų98133.9 Ų133.981%0.8180%0.799SS**  trans-146.2141.8165.600000108.8
182D38.9Very low37.5Very low167 Ų167132 Ų13289%0.89380%0.795SS**  trans-64.3147.5178.6-76.2-69.6000112.7
183V35.5Very low37.6Very low145 Ų145133.1 Ų133.188%0.87979%0.794SS**  trans-122.9112.1158.7179.80000106.8
184A34.4Very low37.4Very low92 Ų92135 Ų13576%0.7680%0.795SS**  trans-77155.4-173.700000113.1
185D37.9Very low37.7Very low137 Ų137134.3 Ų134.373%0.73378%0.784SS**  trans-75.1122.6-177.6-17534.1000112.3Q187D185-Q187 PolarHBondContact O-N 3.24Å; D185-Q187 VanDerWaalsContact O-N 3.12Å
186P40.7Very low37.7Very low120 Ų120135.4 Ų135.478%0.77979%0.79SS**  trans-81.988.4-178.632.5-34.2000112G188P186-G188 PolarHBondContact O-N 3.44Å
187Q39.5Very low37.6Very low176 Ų176134.4 Ų134.482%0.82279%0.791SS**PPolyproline II helixtrans-59.9130.9177-66.2-175.3-13.100113.4D185D185-Q187 PolarHBondContact O-N 3.24Å; D185-Q187 VanDerWaalsContact O-N 3.12Å
188G31.6Very low37.9Very low64 Ų64133.7 Ų133.766%0.6679%0.793SS**PPolyproline II helixtrans-85.2153.8163.800000112.2P186P186-G188 PolarHBondContact O-N 3.44Å
189P40.3Very low37.8Very low126 Ų126131.7 Ų131.782%0.81879%0.79SS**PPolyproline II helixtrans-77.9146-17130.9-35.9000113.8
190P40.5Very low38.1Very low126 Ų126135.3 Ų135.382%0.81880%0.796SS**PPolyproline II helixtrans-79.4142.4175.432.6-34.6000112.4
191L36.2Very low37.9Very low165 Ų165134.5 Ų134.586%0.86479%0.787SS**PPolyproline II helixtrans-89.6155.6167.9-76176.4000111.2
192P39.9Very low38.1Very low113 Ų113136 Ų13673%0.73479%0.789SS**PPolyproline II helixtrans-73.8138.9-160.827.2-35.2000114.3M194P192-M194 PolarHBondContact O-N 3.32Å
193R39Very low38.3Very low205 Ų205133.6 Ų133.677%0.77479%0.785SS**PPolyproline II helixtrans-58.4121.2165.8173.8-178.2176.8133.88.7110.4D195R193-D195 IonicContact CZ-OD1 2.76Å; R193-D195 VanDerWaalsContact CZ-OD1 3.22Å; R193-D195 IonicContact NE-OD1 3.74Å; R193-D195 PolarHBondContact NE-OD1 2.78Å; R193-D195 IonicContact NE-OD2 3.22Å; R193-D195 PolarHBondContact NE-OD2 2.94Å; R193-D195 IonicContact NH2-OD1 3.31Å; R193-D195 PolarHBondContact NH2-OD1 3.07Å
194M35.4Very low38.3Very low158 Ų158134.3 Ų134.378%0.77878%0.783SS**  trans-107.1100171.1-143.773.9170.200108.1P192 F196P192-M194 PolarHBondContact O-N 3.32Å; M194-F196 HydrophobicContact CG-CE2 4.18Å; M194-F196 PolarHBondContact O-N 3.17Å
195D44.2Very low38.5Very low109 Ų109135.3 Ų135.358%0.58378%0.782SS**  trans-71128.2179.7-66.8-73.7000111.1R193R193-D195 IonicContact CZ-OD1 2.76Å; R193-D195 VanDerWaalsContact CZ-OD1 3.22Å; R193-D195 IonicContact NE-OD1 3.74Å; R193-D195 PolarHBondContact NE-OD1 2.78Å; R193-D195 IonicContact NE-OD2 3.22Å; R193-D195 PolarHBondContact NE-OD2 2.94Å; R193-D195 IonicContact NH2-OD1 3.31Å; R193-D195 PolarHBondContact NH2-OD1 3.07Å
196F36.5Very low39Very low190 Ų190132.5 Ų132.583%0.83379%0.786SS**  trans-124.5140.9164.1-82.6-84.7000109.1M194M194-F196 HydrophobicContact CG-CE2 4.18Å; M194-F196 PolarHBondContact O-N 3.17Å
197A36.1Very low38.8Very low97 Ų97133.2 Ų133.280%0.80278%0.782SS**  trans-85.2146.9-157.700000115
198D40.4Very low39.1Very low147 Ų147132.8 Ų132.879%0.78679%0.786SS**  trans-62.4131.5171.8-63-68.2000112.8Q200D198-Q200 PolarHBondContact O-N 2.79Å
199P39.3Very low39.4Very low128 Ų128137.8 Ų137.883%0.83179%0.789SS**  trans-76.6102.8156.831.1-29.5000109.1G201P199-G201 PolarHBondContact O-N 3.05Å
200Q42.5Very low39.4Very low198 Ų198137.2 Ų137.293%0.92579%0.786SS**  trans-59.8117.5-178.8-69.2-178.7-20.800112.4D198D198-Q200 PolarHBondContact O-N 2.79Å
201G33.3Very low39.2Very low63 Ų63138.5 Ų138.565%0.64979%0.786SS**  trans-113.5154.2167.300000110.9P199P199-G201 PolarHBondContact O-N 3.05Å
202P38.8Very low39.3Very low130 Ų130136.6 Ų136.684%0.84478%0.783SS**  trans-72135.2-162.827.5-35.2000113.8
203S42.1Very low39.4Very low117 Ų117140 Ų14082%0.81879%0.789SS**  trans-71.4137.4169.542.80000111.7
204L36.9Very low39.2Very low160 Ų160133.4 Ų133.484%0.83879%0.785SS**  trans-127.9155.5168.6-78.7179.6000109.3
205P38Very low39.4Very low112 Ų112131.6 Ų131.673%0.72779%0.785SS**  trans-77.6152.1-151.930-36.3000113.5
206G48.2Very low39.2Very low79 Ų79131.1 Ų131.181%0.81479%0.791SS**  trans-65.9144.417900000113.3
207L36.7Very low39.5Very low134 Ų134129.7 Ų129.770%0.70279%0.79SS**  trans-114.1121.3149.1-81.283.7000107.1F209L207-F209 HydrophobicContact CB-CD2 4.08Å; L207-F209 HydrophobicContact CB-CE2 3.64Å; L207-F209 HydrophobicContact CB-CZ 4.38Å; L207-F209 HydrophobicContact CD2-CE2 3.72Å; L207-F209 HydrophobicContact CD2-CZ 3.8Å; L207-F209 HydrophobicContact CG-CE2 4.34Å; L207-F209 PolarHBondContact O-N 2.79Å
208D44.8Very low40.1Very low168 Ų168133.5 Ų133.590%0.89879%0.789SS**  trans-64.4126.5164.8-66-56.6000109.1
209F39Very low40Very low168 Ų168135 Ų13574%0.73779%0.791SS**  trans-128.1136.7160.7-73.5-69.4000108.5L207L207-F209 HydrophobicContact CB-CD2 4.08Å; L207-F209 HydrophobicContact CB-CE2 3.64Å; L207-F209 HydrophobicContact CB-CZ 4.38Å; L207-F209 HydrophobicContact CD2-CE2 3.72Å; L207-F209 HydrophobicContact CD2-CZ 3.8Å; L207-F209 HydrophobicContact CG-CE2 4.34Å; L207-F209 PolarHBondContact O-N 2.79Å
210P39.1Very low40Very low115 Ų115136.6 Ų136.675%0.74779%0.791SS**  trans-75148.3-159.229-36.6000113.6P212P210-P212 WeakPolarHBondContact O-CD 3.23Å
211D36.7Very low40.1Very low152 Ų152131.2 Ų131.281%0.81378%0.78SS**  trans-53.3120.4172.6-68.3-60.2000111.9Q213D211-Q213 PolarHBondContact O-N 3.39Å
212P39.1Very low40.8Very low125 Ų125139.3 Ų139.381%0.81279%0.791SS**  trans-71.310016629.2-31.5000108.6P210 G214P210-P212 WeakPolarHBondContact O-CD 3.23Å; P212-G214 PolarHBondContact O-N 3.34Å
213Q42.3Very low41Very low185 Ų185140.8 Ų140.886%0.86479%0.791SS**  trans-56.2102.1179.1-71.2-174.4-8.500111.8D211D211-Q213 PolarHBondContact O-N 3.39Å
214G34.8Very low41Very low67 Ų67142.9 Ų142.969%0.69179%0.791SS**PPolyproline II helixtrans-65.6124.416700000110.1P212 S216P212-G214 PolarHBondContact O-N 3.34Å; G214-S216 PolarHBondContact O-N 2.91Å
215P38.1Very low41Very low120 Ų120140.3 Ų140.378%0.77979%0.787SS**PPolyproline II helixtrans-66.5128.7-177.925.4-33.2000111.4I217P215-I217 PolarHBondContact O-N 2.92Å
216S41.3Very low41Very low99 Ų99146.5 Ų146.569%0.69280%0.796SS**PPolyproline II helixtrans-56.1133.1-176.8-178.40000113.1G214 F218G214-S216 PolarHBondContact O-N 2.91Å; S216-F218 PolarHBondContact O-N 3.11Å
217I43.2Very low40.9Very low160 Ų160145.1 Ų145.182%0.82178%0.781SS**SBendtrans-80.134.4-178-36.8-178.7000112.1P215P215-I217 PolarHBondContact O-N 2.92Å
218F47.5Very low41.1Very low176 Ų176145 Ų14577%0.77279%0.788SS**  trans-143.1111.2175.2-67.9-79.5000109.9S216S216-F218 PolarHBondContact O-N 3.11Å
219Q39.3Very low41.2Very low178 Ų178143 Ų14383%0.83278%0.782SS**  trans158.550.8152.4-84.2-78.631.100113.8
220I39Very low41.3Very low163 Ų163140.4 Ų140.484%0.83678%0.782SS**  trans-130.277.4149.1-54.183.9000109.3
221A44.1Very low41.5Very low84 Ų84142.1 Ų142.169%0.69478%0.78SS**  trans-81.3149.1150.400000108.9
222R48.7Very low42Very low234 Ų234142.5 Ų142.588%0.88378%0.782SS**  trans78.974.4178.1-50.3173.6175172.4-1.3117.3
223L41.7Very low42.3Very low161 Ų161144 Ų14484%0.84378%0.776SS**  trans-157.766.6135.2-115.1161.2000111.6S225L223-S225 PolarHBondContact O-N 3Å
224I42.6Very low42.5Very low161 Ų161144.2 Ų144.283%0.82678%0.777SS**  trans-85.4101.3174.8-54.4175.8000108.8R226I224-R226 PolarHBondContact O-N 2.67Å
225S36.8Very low43.1Very low106 Ų106146.1 Ų146.174%0.74178%0.78SS**  trans-61.1114.5167.8-61.70000109.8L223 G227L223-S225 PolarHBondContact O-N 3Å; S225-G227 PolarHBondContact O-N 3.42Å
226R38.9Very low43.6Very low241 Ų241145.5 Ų145.591%0.90978%0.776SS**  trans-69.694.8173.8-91.9-174.7164.7-171.6-5.2110.4I224I224-R226 PolarHBondContact O-N 2.67Å
227G46Very low44.1Very low50 Ų50148.5 Ų148.552%0.51578%0.783SS.*PPolyproline II helixtrans-61.7165156.400000111.5S225 V229S225-G227 PolarHBondContact O-N 3.42Å; G227-V229 PolarHBondContact O-N 3.43Å
228P41.2Very low44Very low131 Ų131149.6 Ų149.685%0.85178%0.778SS**PPolyproline II helixtrans-60.2135.2177.526-34000110.9
229V45.3Very low43.6Very low126 Ų126147.9 Ų147.976%0.76479%0.785SS**PPolyproline II helixtrans-67.1126.5178.9178.10000109.2G227 Q231G227-V229 PolarHBondContact O-N 3.43Å; V229-Q231 PolarHBondContact O-N 2.93Å
230P42.3Very low44.3Very low115 Ų115142.4 Ų142.475%0.74778%0.776SS**PPolyproline II helixtrans-65.1123.5173.427-33.1000109.4N232P230-N232 PolarHBondContact O-N 2.93Å
231Q43.5Very low44.5Very low150 Ų150143 Ų14370%0.70178%0.777SS**PPolyproline II helixtrans-64.5126.4167.3-77.4-166.7-16.400108.6V229 K233V229-Q231 PolarHBondContact O-N 2.93Å; Q231-K233 PolarHBondContact O-N 3.01Å; Q231-K233 VanDerWaalsContact OE1-NZ 3.08Å
232N46.2Very low44.6Very low160 Ų160148.9 Ų148.986%0.85679%0.787SS**  trans-65.5102.5169.4-174.8-9.2000109P230P230-N232 PolarHBondContact O-N 2.93Å
233K45.8Very low44.2Very low157 Ų157148.1 Ų148.168%0.68379%0.786SS**  trans-132136.2167.9-70.4-177.7176.3169.40106.8Q231 S235Q231-K233 PolarHBondContact O-N 3.01Å; Q231-K233 VanDerWaalsContact OE1-NZ 3.08Å; K233-S235 PolarHBondContact O-N 3.07Å
234Q47.1Very low44.5Very low190 Ų190147.2 Ų147.289%0.88878%0.78SS**PPolyproline II helixtrans-57.3130.2-176.7-69.7168.6-37.700110.4
235S46.3Very low44.5Very low106 Ų106144.8 Ų144.874%0.74177%0.774SS**PPolyproline II helixtrans-62.1124.7173.947.40000109.8K233K233-S235 PolarHBondContact O-N 3.07Å
236P48.3Very low44.6Very low107 Ų107148.4 Ų148.470%0.69578%0.777SS**PPolyproline II helixtrans-64139176.927.1-33.8000110.1Y238P236-Y238 PolarHBondContact O-N 2.98Å
237L52.7Low44.6Very low163 Ų163140.4 Ų140.485%0.85377%0.769SS**SBendtrans-718.5-169.1-15371.5000114.9
238Y40.2Very low44.3Very low183 Ų183142.4 Ų142.472%0.71878%0.781SS**SBendtrans-142.7123179.7-77.8-83.5000111.3P236 G240P236-Y238 PolarHBondContact O-N 2.98Å; Y238-G240 PolarHBondContact O-N 3Å
239P40.8Very low44Very low140 Ų140143.3 Ų143.391%0.90978%0.779SS**THydrogen-bonded Turntrans-75.9119.9171.230.5-31.9000110.4
240G52.1Low43.9Very low62 Ų62145.8 Ų145.864%0.63978%0.782SS**THydrogen-bonded Turntrans147.6-22.4171.900000116Y238 F242Y238-G240 PolarHBondContact O-N 3Å; G240-F242 PolarHBondContact O-N 2.87Å
241M44.8Very low44Very low177 Ų177147.1 Ų147.187%0.87278%0.782SS**  trans-89.390.9-176.6-69.8-68.9-77.800112.3Y243M241-Y243 PolarHBondContact O-N 3.17Å
242F46Very low43.6Very low206 Ų206147.8 Ų147.890%0.90479%0.79SS**  trans-79.5103.9171.3-69.2-82.3000111.2G240 M244G240-F242 PolarHBondContact O-N 2.87Å; F242-M244 PolarHBondContact O-N 2.91Å
243Y40.8Very low42.9Very low218 Ų218145 Ų14586%0.85579%0.789SS**  trans-82.6112.6173.6-159.2-90.4000110.3M241 P245M241-Y243 PolarHBondContact O-N 3.17Å; Y243-P245 VanDerWaalsContact O-CD 3.32Å; Y243-P245 WeakPolarHBondContact O-CD 3.46Å
244M47.5Very low42.6Very low143 Ų143143.4 Ų143.470%0.70480%0.795SS**  trans-88.1112.2177.8-167.3-170.1-58.600110.2F242 F246F242-M244 PolarHBondContact O-N 2.91Å; M244-F246 PolarHBondContact O-N 2.82Å; M244-F246 VanDerWaalsContact O-N 3.11Å; M244-F246 HydrophobicContact SD-CE2 3.94Å; M244-F246 HydrophobicContact SD-CZ 4.26Å
245P42Very low42.1Very low109 Ų109138.8 Ų138.871%0.70879%0.79SS**  trans-78.498.717931.7-33.2000110.2Y243 G247Y243-P245 VanDerWaalsContact O-CD 3.32Å; Y243-P245 WeakPolarHBondContact O-CD 3.46Å; P245-G247 PolarHBondContact O-N 2.93Å
246F38.8Very low41.8Very low183 Ų183145 Ų14580%0.80380%0.797SS**  trans-62.2122.4165.9-86.4-91.8000109.6M244 A248M244-F246 PolarHBondContact O-N 2.82Å; M244-F246 VanDerWaalsContact O-N 3.11Å; M244-F246 HydrophobicContact SD-CE2 3.94Å; M244-F246 HydrophobicContact SD-CZ 4.26Å; F246-A248 PolarHBondContact O-N 2.95Å
247G40Very low41.4Very low73 Ų73148.2 Ų148.275%0.75381%0.807SS**  trans-64.2126.4178.800000110.9P245 N249P245-G247 PolarHBondContact O-N 2.93Å; G247-N249 PolarHBondContact O-N 2.86Å
248A38.4Very low40.7Very low92 Ų92143.6 Ų143.676%0.7680%0.798SS**  trans-6893.4177.900000110.7F246 Q250F246-A248 PolarHBondContact O-N 2.95Å; A248-Q250 PolarHBondContact O-N 2.88Å
249N34.5Very low40.9Very low150 Ų150143.3 Ų143.380%0.80281%0.808SS**  trans-73109.9171.3-164.17.9000108.5G247 L251G247-N249 PolarHBondContact O-N 2.86Å; N249-L251 PolarHBondContact O-N 2.95Å
250Q43.7Very low40.7Very low177 Ų177143 Ų14383%0.82780%0.796SS**  trans-74.924.6-162.9-87.9-91.378.200115.5A248A248-Q250 PolarHBondContact O-N 2.88Å
251L44.4Very low40.1Very low144 Ų144144.6 Ų144.675%0.75480%0.797SS**SBendtrans-140.3135.3-179.8-69.2174.2000111.8N249N249-L251 PolarHBondContact O-N 2.95Å
252N34.8Very low40.3Very low164 Ų164142.5 Ų142.588%0.87780%0.8SS**  trans59.394.9-179.4-73.2-8.1000117
253A32.9Very low40.6Very low100 Ų100141.5 Ų141.583%0.82680%0.798SS**PPolyproline II helixtrans-92.5132.6156.800000111
254P38.9Very low41.2Very low125 Ų125138.2 Ų138.281%0.81279%0.79SS**PPolyproline II helixtrans-85.7139.9147.8-9.828.3000109.5
255A36.7Very low40.9Very low93 Ų93139.7 Ų139.777%0.76980%0.798SS**PPolyproline II helixtrans-93.9153177.900000112.4
256R39.9Very low40.8Very low236 Ų236139.4 Ų139.489%0.89180%0.804SS**  trans117.6121.9160-68.7174.4169.7-112.8-4.2115.8
257L40.6Very low41.4Very low175 Ų175134.8 Ų134.892%0.91681%0.808SS**  trans37.3136.9138.2-88.970.6000120.7
258G36.3Very low41.4Very low65 Ų65134.6 Ų134.667%0.6781%0.806SS**  trans146.5127148.400000113.1M260G258-M260 PolarHBondContact O-N 3.44Å
259I45Very low41.9Very low177 Ų177142.4 Ų142.491%0.90882%0.816SS**  trans-84.499.4158.2-54.2172.8000105
260M37.1Very low42Very low134 Ų134138.6 Ų138.666%0.6681%0.813SS**  trans-80.9119179.7-64.6-176.978.400110G258 E264G258-M260 PolarHBondContact O-N 3.44Å; M260-E264 HydrophobicContact CE-CB 4.21Å; M260-E264 HydrophobicContact CE-CG 4.28Å; M260-E264 WeakPolarHBondContact CE-OE2 3.47Å
261S39.6Very low41.9Very low96 Ų96137.3 Ų137.367%0.67181%0.811SS**  trans-72158.3171-67.60000111.3E263S261-E263 PolarHBondContact O-N 3.34Å
262S48.6Very low41.8Very low133 Ų133136.4 Ų136.493%0.9381%0.814SS**THydrogen-bonded Turntrans-70.825.7-175.158.90000115.9
263E52.3Low42.1Very low185 Ų185137 Ų13786%0.86481%0.814SS**THydrogen-bonded Turntrans-116.6-17.4-175.3-163.9155.666.800112.6S261 M265S261-E263 PolarHBondContact O-N 3.34Å; E263-M265 VanDerWaalsContact C-N 3.3Å; E263-M265 PolarHBondContact O-N 3.48Å; E263-M265 VanDerWaalsContact O-N 3.11Å
264E52.5Low42.5Very low148 Ų148136.7 Ų136.769%0.69281%0.811SS**  trans-88.260.7175.7-158.9-173.7146.900112.3M260M260-E264 HydrophobicContact CE-CB 4.21Å; M260-E264 HydrophobicContact CE-CG 4.28Å; M260-E264 WeakPolarHBondContact CE-OE2 3.47Å
265M41.6Very low42.5Very low174 Ų174142.5 Ų142.586%0.85782%0.818SS**  trans-122.596.1166.6-85-74.2176.300109.1E263 G267E263-M265 VanDerWaalsContact C-N 3.3Å; E263-M265 PolarHBondContact O-N 3.48Å; E263-M265 VanDerWaalsContact O-N 3.11Å; M265-G267 PolarHBondContact O-N 2.88Å
266A41Very low42.5Very low103 Ų103141.2 Ų141.285%0.85182%0.815SS**  trans-56.6132.4175.600000110.4G268A266-G268 PolarHBondContact O-N 3.42Å
267G51Low42.4Very low86 Ų86134.3 Ų134.389%0.88781%0.808SS**  trans-67.479.2-161.700000116.3M265M265-G267 PolarHBondContact O-N 2.88Å
268G39.1Very low42.1Very low69 Ų69133.5 Ų133.571%0.71180%0.803SS**  trans-72.9120.2162.600000110.9A266 G270A266-G268 PolarHBondContact O-N 3.42Å; G268-G270 PolarHBondContact O-N 3.14Å
269R49Very low42Very low257 Ų257139.4 Ų139.497%0.9781%0.81SS**  trans-68.594.1172.2-77.7-177.1169.8-131.91.6110.5
270G37Very low41.8Very low70 Ų70137.1 Ų137.172%0.72281%0.807SS**  trans-86.7139.216200000111G268G268-G270 PolarHBondContact O-N 3.14Å
271D40.8Very low42Very low150 Ų150133.7 Ų133.780%0.80281%0.806SS**  trans-63.2153.2173.7-67-65.2000111.9M273D271-M273 PolarHBondContact O-N 3.2Å
272P43.1Very low41.9Very low124 Ų124139.7 Ų139.781%0.80582%0.82SS**  trans-65.1109-175.925.6-34.7000112A274P272-A274 PolarHBondContact O-N 3.14Å
273M41.6Very low41.3Very low178 Ų178136.9 Ų136.988%0.87781%0.813SS**  trans-62.698167.9-83.3-72.5-170.600110.3D271D271-M273 PolarHBondContact O-N 3.2Å
274A39.8Very low40.7Very low93 Ų93131.6 Ų131.677%0.76981%0.808SS**  trans-65.5132.9170.300000110.2P272 G276P272-A274 PolarHBondContact O-N 3.14Å; A274-G276 VanDerWaalsContact C-N 3.34Å; A274-G276 PolarHBondContact O-N 2.97Å
275Y39.5Very low39.8Very low246 Ų246133.8 Ų133.897%0.96582%0.82SS**  trans-69.386.2177-87.8-102.2000111.1
276G36.2Very low39.6Very low67 Ų67137.1 Ų137.169%0.69182%0.823SS**  trans-75.7123.6171.500000111.6A274A274-G276 VanDerWaalsContact C-N 3.34Å; A274-G276 PolarHBondContact O-N 2.97Å
277A38.2Very low39.3Very low90 Ų90138.6 Ų138.674%0.74483%0.827SS**  trans-66.7139.5179.400000112.4F279A277-F279 PolarHBondContact O-N 3.15Å; A277-F279 VanDerWaalsContact O-N 3.17Å
278I35.8Very low38.8Very low158 Ų158139.7 Ų139.781%0.8182%0.821SS**  trans-82.794.6179.8-58.3170.1000109.8
279F33.5Very low38.8Very low189 Ų189144.9 Ų144.983%0.82983%0.832SS**  trans-129.9108.1162-83.3-77.2000109.9A277 G281A277-F279 PolarHBondContact O-N 3.15Å; A277-F279 VanDerWaalsContact O-N 3.17Å; F279-G281 PolarHBondContact O-N 2.93Å
280P40.7Very low38Very low130 Ų130136.5 Ų136.584%0.84483%0.825SS**  trans-84.599.1-176.832.1-32.8000111.5
281G40.2Very low37.6Very low62 Ų62137 Ų13764%0.63983%0.831SS**  trans146.590.9161.200000116.4F279F279-G281 PolarHBondContact O-N 2.93Å
282F37.9Very low37.3Very low221 Ų221137.7 Ų137.797%0.96983%0.831SS**  -158.9139.1126.6-111.6-75.5000108.8
283G35.7Very low37.4Very low75 Ų75137.1 Ų137.177%0.77383%0.828SS**  trans-96.8140.5-171.500000113.7
284G41.1Very low37.3Very low73 Ų73137.1 Ų137.175%0.75383%0.825SS**  trans87.889.4149.400000117.9
285M33.6Very low37.1Very low195 Ų195142.1 Ų142.196%0.96183%0.83SS**  trans-156.2123.7132-104.8162.1-157.900109
286R37Very low37.4Very low244 Ų244137 Ų13792%0.92183%0.826SS**  trans-113.2109.9179.2-71.8-179.7178.5-113.63.3109.4S288R286-S288 PolarHBondContact O-N 3.48Å
287S35.3Very low37.7Very low134 Ų134137.9 Ų137.994%0.93783%0.827SS**  trans-86.192.8167.1-63.90000109.6
288S40.5Very low37.8Very low108 Ų108142.3 Ų142.376%0.75584%0.835SS**  trans-83.4129.2172.755.80000111.1R286R286-S288 PolarHBondContact O-N 3.48Å
289L39.2Very low38.2Very low178 Ų178138.5 Ų138.593%0.93283%0.834SS**  trans-137.7131.5166.5-135.788.4000110.8
290G30.4Very low38.4Very low81 Ų81132.3 Ų132.384%0.83582%0.824SS**  trans50.590.2158.500000118.8
291G30.5Very low38.5Very low82 Ų82133.6 Ų133.685%0.84582%0.824SS**  trans-94.2143.3161.300000112.2
292M34Very low38.5Very low163 Ų163139.9 Ų139.980%0.80383%0.834SS**  trans-146.9125.6165-172.968.110900108.9
293P44.1Very low38.7Very low113 Ų113134.9 Ų134.973%0.73482%0.822SS**  trans-80.3145.1-179.131.9-34.1000111.7
294H40Very low39.1Very low177 Ų177139 Ų13982%0.81983%0.825SS**  trans-120133.9164.6-81.615.9000109.6
295K34.9Very low39.2Very low198 Ų198143.8 Ų143.886%0.86183%0.828SS**  trans-88.3135.1-179.3-66.2-176.4177.7-179.10110.1A297K295-A297 PolarHBondContact O-N 3.12Å
296P46.9Very low39.4Very low138 Ų138144 Ų14490%0.89682%0.824SS**  trans-81.5103.217531.6-32000110.5
297A43.1Very low39.1Very low86 Ų86139.9 Ų139.971%0.71182%0.82SS**  trans-157.356.6-179.800000114.9K295K295-A297 PolarHBondContact O-N 3.12Å
298M39.2Very low39.1Very low183 Ų183138.2 Ų138.290%0.90181%0.809SS**  trans-160.6127.8143-152.866.377.700109.9
299G43.8Very low39.7Very low78 Ų78138.6 Ų138.680%0.80481%0.809SS**  trans-87.2140.5163.800000109.3
300G38.9Very low39.1Very low60 Ų60136.5 Ų136.562%0.61980%0.803SS**  trans-121136.8175.400000110.6
301D42.2Very low39.2Very low157 Ų157136.5 Ų136.584%0.8480%0.795SS**  trans-64.3147.3174.4-101.8-54.1000111.9
302F41Very low39.2Very low194 Ų194137.9 Ų137.985%0.85180%0.798SS**  trans-13179.2170.9-73.5-75.4000110L304F302-L304 PolarHBondContact O-N 2.88Å
303T40.6Very low39.2Very low115 Ų115136.2 Ų136.271%0.70680%0.798SS**  trans-70.6116.9165.744.50000109.6
304L45.5Very low38.7Very low162 Ų162140.5 Ų140.585%0.84881%0.805SS**  trans-82.4111.5172.8-90.8162.8000110F302F302-L304 PolarHBondContact O-N 2.88Å
305E42.6Very low38.4Very low173 Ų173135.7 Ų135.781%0.80880%0.803SS**  trans-128.5117.6167.356.5-166.4159.500110.5
306F38.5Very low38.9Very low201 Ų201132 Ų13288%0.88280%0.799SS**  trans-123.3106.9177.3-108.3-87.8000107.2
307D30.6Very low38.1Very low156 Ų156133.1 Ų133.183%0.83479%0.792SS**  trans-161.1165.8142.5-144-10.8000112.7
308S35.9Very low37.8Very low100 Ų100137.7 Ų137.770%0.69980%0.796SS**  trans-166.5147.7172.1-78.10000107.5
309P51.2Low37.5Very low116 Ų116132.1 Ų132.175%0.75379%0.786SS**  cis-151.5-153.342.732.4-5.6000115.1
310V28.1Very low37.1Very low134 Ų134138.1 Ų138.181%0.81279%0.793SS**  trans98.4148.2156.9-172.80000118.2
311A32.2Very low36.7Very low81 Ų81139 Ų13967%0.66980%0.802SS**  trans74.174.8165.800000119.7
312A30.8Very low36.1Very low110 Ų110135.5 Ų135.591%0.90980%0.802SS**  trans-92.592.6162.100000112.1
313T33.3Very low35.7Very low129 Ų129131 Ų13179%0.79180%0.801SS**  trans-10191.1-177.252.10000114.7
314K34.8Very low35.4Very low203 Ų203134.6 Ų134.688%0.88381%0.81SS**  trans42.977.8140.4-161-173.3179.3-179.80120.9
315G32.2Very low34.6Very low76 Ų76130.2 Ų130.278%0.78480%0.804SS**  trans54.8-157.3145.300000119
316P45Very low34.2Very low121 Ų121127.7 Ų127.779%0.78681%0.806SS**  cis-135.9170.4-12.942.6-27.5000115.6
317E31Very low34.6Very low161 Ų161123.4 Ų123.475%0.75280%0.798SS**  trans151.3156.8148.6-87.2-148.1135.900110.4
318K37Very low34.8Very low182 Ų182123.6 Ų123.679%0.79180%0.795SS**  cis-176.2155-27.2177.9169.3168.4-176.40110.4
319G32.1Very low35Very low66 Ų66123.8 Ų123.868%0.6880%0.795SS**  trans154.195.9172.300000109.2
320E36.1Very low34Very low204 Ų204126 Ų12695%0.95380%0.795SS**  100.8137.463.8-179.8168-150.900110.8
321G30.4Very low33.9Very low78 Ų78124 Ų12480%0.80479%0.792SS**  trans101.5129.3-172.400000113
322G29.4Very low34.1Very low83 Ų83127.2 Ų127.286%0.85680%0.799SS**  trans-167.7165.6178.700000113.2
323A32.7Very low34.6Very low99 Ų99126.9 Ų126.982%0.81879%0.787SS**  trans-155.4119.7176.600000113.7
324Q35.2Very low34.5Very low192 Ų192127.8 Ų127.890%0.89779%0.787SS**  trans43.5108.2139.6-70.6-76.4-37.700121.9
325G27.6Very low34.4Very low70 Ų70125.6 Ų125.672%0.72279%0.785SS**  trans79.9155.5138.500000118.8
326S35.1Very low35.1Very low120 Ų120126.6 Ų126.684%0.83978%0.777SS**  cis-158167-11.6-99.80000110
327P46.8Very low34.3Very low111 Ų111129.9 Ų129.972%0.72178%0.782SS**  trans-122.9-178.2-141.643.1-34.4000118.2
328M33.3Very low34.3Very low159 Ų159129.5 Ų129.578%0.78379%0.785SS**  trans80.2169.1148.9-13314715800116.4
329P41.4Very low34.7Very low105 Ų105125.9 Ų125.968%0.68278%0.781SS**  cis-121.6175.5-11.60.725.7000117.3
330E29.7Very low34.5Very low161 Ų161126.5 Ų126.575%0.75278%0.779SS**  trans13.2159.2131.3-73157.697.800122.3
331A26.8Very low34.1Very low93 Ų93126 Ų12677%0.76977%0.774SS**  cis-160177.43.100000111.3
332N36.1Very low34Very low149 Ų149130.3 Ų130.380%0.79778%0.778SS**  trans-138131.3167.3-179.772.4000111.4
333P40.8Very low34Very low102 Ų102130.3 Ų130.366%0.66277%0.77SS**  trans-127.9123.4163.134.7-19.1000114
334D30.9Very low33.7Very low149 Ų149134.3 Ų134.380%0.79777%0.772SS**  trans43.9119.8138.1-46.5-37.1000122.8
335D33.3Very low33.3Very low156 Ų156132.6 Ų132.683%0.83477%0.768SS**  trans16.2163.5132.4-115.215.7000121.7
336P45.9Very low33.3Very low97 Ų97136.9 Ų136.963%0.6377%0.769SS**  cis-145.3-157.412.629.1-0.7000116.1
337E28.7Very low33.2Very low190 Ų190136.4 Ų136.489%0.88876%0.763SS**  trans106.4142.4148.1-56.4-160.5140.900122.5
338N32.1Very low32.1Very low153 Ų153136.7 Ų136.782%0.81876%0.762SS**  trans-170.8138.3176.5176.242.7000105.2
339P45.5Very low31.8Very low106 Ų106133.5 Ų133.569%0.68876%0.761SS**  cis-142.8-167.22842.4-21.7000116.9
340A27Very low31.2Very low79 Ų79137.6 Ų137.665%0.65377%0.771SS**  trans123.293.4138.200000121
341F27.7Very low31Very low194 Ų194135 Ų13585%0.85178%0.777SS**  68.2138.7122.2-74.2-67.5000126
342L28.4Very low31Very low169 Ų169133.9 Ų133.989%0.88578%0.775SS**  trans72.9144.9159.9-64.3173.1000118.3
343A29.2Very low30.6Very low83 Ų83134.3 Ų134.369%0.68678%0.776SS**  cis-148.3165.6-10.900000108.2
344E27Very low30.1Very low183 Ų183136.9 Ų136.986%0.85578%0.784SS**  165.5140.279.4176.3176.8-144.100106.9
345L26.3Very low29.9Very low156 Ų156134.6 Ų134.682%0.81779%0.785SS**  cis-149.4149.2-17-149.777.1000110.1
346E27Very low30Very low160 Ų160134.7 Ų134.775%0.74879%0.785SS**  trans-74.3175.9166.3-89.9-77.2133.100111.1
347P34.2Very low29.6Very low109 Ų109135.9 Ų135.971%0.70879%0.792SS**  cis-148.6174.831.931.2-4.2000120.3
348V23.7Very low29.5Very low117 Ų117134.4 Ų134.471%0.70978%0.783SS**  164.3115.1110.3163.20000115
349A26.3Very low29.4Very low92 Ų92132.6 Ų132.676%0.7677%0.774SS**  trans68.1156.1144.500000123.4
350H29.4Very low28.7Very low191 Ų191134.6 Ų134.688%0.88478%0.778SS**  trans-120.3172.5-172.6-56.7-79.2000113.3
351A25.8Very low29.3Very low107 Ų107136.7 Ų136.788%0.88478%0.783SS**  trans82.9128.4140.100000120.6
352G25.5Very low29.9Very low69 Ų69133 Ų13371%0.71178%0.778SS**  118.6128.5125.900000118.2
353L28.3Very low30Very low158 Ų158129.8 Ų129.883%0.82777%0.77SS**  trans68.2122.2143.3-56176.5000120.7
354L30.2Very low30.4Very low157 Ų157133.1 Ų133.182%0.82278%0.776SS**  trans60.4119.9130.8-58.1173.3000121.5
355A27.6Very low30.9Very low100 Ų100130.4 Ų130.483%0.82677%0.774SS**  trans77.5148.8140.700000121
356L34.6Very low31.1Very low158 Ų158134.1 Ų134.183%0.82778%0.777SS**  trans-68.2154.5173.4-115.269.9000111.5
357P36.9Very low31.5Very low122 Ų122131.2 Ų131.279%0.79278%0.775SS**  -151.8149.580.838.9-20000119
358K27.6Very low32.1Very low159 Ų159131.9 Ų131.969%0.69178%0.779SS**  trans29.8145.1131.5-91179139.7-73.80124.8
359D28.5Very low32.3Very low116 Ų116132.4 Ų132.462%0.6279%0.788SS**  trans78.894.5140.8-54.9-12.3000122.3
360D31.8Very low32.5Very low147 Ų147131.6 Ų131.679%0.78679%0.788SS**  66.8129.6115.1-106.8-20.1000126.5
361V39.9Very low32.6Very low123 Ų123132.2 Ų132.275%0.74579%0.788SS**  trans53.3149.9155.5-108.10000122
362P39.4Very low32.7Very low116 Ų116135.5 Ų135.575%0.75379%0.787SS**  -138.1-167.266.635.7-12.9000113.3
363S30.5Very low32.9Very low103 Ų103142.5 Ų142.572%0.7280%0.798SS**  cis-153.8-17416.7-40.80000113
364L37.8Very low33.1Very low153 Ų153138.3 Ų138.380%0.80179%0.793SS**  trans-117.7173.8169.5-111.179.9000112.7
365P37.4Very low33Very low126 Ų126138.7 Ų138.782%0.81880%0.795SS**  -123155.6128.335.9-31.9000115.8
366R31.2Very low33.5Very low233 Ų233139.2 Ų139.288%0.87979%0.79SS**  trans-70.4150.5-176.4-84.1169.9150.393.1-2.4113.6
367S34.2Very low33.1Very low100 Ų100136.9 Ų136.970%0.69979%0.787SS**  68.2155.360-35.90000114.6
368P47.2Very low33.1Very low122 Ų122137.2 Ų137.279%0.79279%0.786SS**  cis-143.3-174.910.244.7-25.9000118.3
369S29.1Very low33.1Very low129 Ų129135.8 Ų135.890%0.90279%0.791SS**  trans87.5139.7153.3-154.90000121
370G29.1Very low33.9Very low74 Ų74135.6 Ų135.676%0.76380%0.796SS**  trans138.7126.3170.800000114.8
371K31.3Very low33.8Very low204 Ų204133.7 Ų133.789%0.88780%0.801SS**  trans-102.5155.5174.6-82.1-171.2177.1-176.70112.1
372M28.1Very low33.3Very low177 Ų177131.7 Ų131.787%0.87281%0.805SS**  trans64.4106.3157.7-69167.363.200119.7
373K31.3Very low32.9Very low216 Ų216130.7 Ų130.794%0.93981%0.807SS**  -143.6161.4116.4-150114.2-176.9-174.30109.6
374G31.6Very low32.9Very low69 Ų69133 Ų13371%0.71181%0.811SS**  trans-79.4152.2-161.400000116.5
375L27.8Very low33.3Very low165 Ų165130.1 Ų130.186%0.86480%0.802SS**  trans-68.3141.4165.5-176.780.1000111.1
376P37.6Very low33Very low112 Ų112131.5 Ų131.573%0.72780%0.801SS**  trans-125.9107.7163.634.7-19.8000113.5
377S28Very low33Very low109 Ų109129.5 Ų129.576%0.76280%0.804SS**SBendtrans59.6141.6162.6-1040000118.9
378V35.8Very low33Very low128 Ų128130.7 Ų130.778%0.77681%0.807SS**  cis-130141.38.2178.40000109.1
379T28.4Very low32.9Very low130 Ų130130.5 Ų130.580%0.79881%0.806SS**  trans-91.6135.8-166.6-41.80000115
380P44.1Very low32.9Very low112 Ų112132.7 Ų132.773%0.72780%0.802SS**  trans-131.4161.7154.738.6-26.6000115.3
381A29.2Very low33Very low106 Ų106136.2 Ų136.288%0.87680%0.803SS**  trans81.6120.6157.500000121.9
382G30.7Very low33.2Very low81 Ų81130.1 Ų130.184%0.83579%0.79SS**  trans94.6146.8150.200000118.3
383A30.4Very low33.5Very low96 Ų96126.9 Ų126.979%0.79378%0.776SS**  cis-167.2140.6-17.800000111.7
384D31.7Very low33.7Very low152 Ų152123.3 Ų123.381%0.81377%0.772SS**  trans59.6-178.7153.7-140.530000118.5
385P45.4Very low33.7Very low92 Ų92127.2 Ų127.260%0.59777%0.767SS**  -107.7-173-59.522-3.4000113
386L31.5Very low34Very low155 Ų155128.2 Ų128.281%0.81276%0.759SS**  trans64.289.8159.1-80.8158.6000118.7
387M31.5Very low33.6Very low190 Ų190128.7 Ų128.794%0.93676%0.76SS**  trans-144.3139.9136.7-90.7-57.6179.600110.5
388T32.3Very low33.9Very low126 Ų126132.1 Ų132.177%0.77376%0.758SS**  trans-98.2170.1-179.523.80000112.4
389P45.5Very low33.7Very low117 Ų117133 Ų13376%0.7676%0.758SS**  trans-91.2-160.1-160.539.2-39.6000115
390E29Very low33.9Very low175 Ų175130.8 Ų130.882%0.81875%0.753SS**  trans80.5153.2-169.2-53.4-167.511600113.7
391L32.8Very low33.3Very low149 Ų149132.4 Ų132.478%0.7876%0.755SS**  cis-113.5160.95.3-84.582.9000110.6
392A34.1Very low33.7Very low75 Ų75134.5 Ų134.562%0.6275%0.748SS**  cis63149.646.900000112.4
393D35Very low33.9Very low110 Ų110136.9 Ų136.959%0.58875%0.747SS**  cis-157.6150.78.6-132.7-17.3000108.4Y395D393-Y395 HydrophobicContact CB-CE2 4.4Å; D393-Y395 VanDerWaalsContact OD2-CE2 3.29Å; D393-Y395 WeakPolarHBondContact OD2-CE2 3.46Å
394V34.3Very low34.2Very low141 Ų141139.2 Ų139.286%0.85575%0.752SS**  trans-154.697.6131.7-174.30000109.6
395Y33.3Very low34.2Very low151 Ų151137 Ų13759%0.59275%0.748SS**  trans7.5120.9152.1-68.8-102.6000119.4D393D393-Y395 HydrophobicContact CB-CE2 4.4Å; D393-Y395 VanDerWaalsContact OD2-CE2 3.29Å; D393-Y395 WeakPolarHBondContact OD2-CE2 3.46Å
396R33Very low33.7Very low186 Ų186138.6 Ų138.670%0.70276%0.756SS**  79.2131.170.2-147.8-155.1-78.5-166.2-5.8113.3
397T30.7Very low33.5Very low122 Ų122138.8 Ų138.875%0.74876%0.758SS**  -177.1155.599.9-630000111.8
398Y33.9Very low33.5Very low181 Ų181139.3 Ų139.371%0.7176%0.755SS**  trans-44.5165.4178.7-63-97.5000116.3
399D29.8Very low33.5Very low147 Ų147141 Ų14179%0.78675%0.754SS**  cis-139.8158.833.6-80.2-58.8000111.2
400A34.1Very low33Very low83 Ų83142 Ų14269%0.68675%0.753SS**  cis86.292.440.400000115.8
401D31.7Very low33.2Very low145 Ų145142.2 Ų142.278%0.77575%0.754SS**  trans-163.8167.4134.6-132.4-23.5000115.1
402M36.6Very low33.3Very low150 Ų150141.4 Ų141.474%0.73976%0.755SS**  trans-4.6134.1177-44.9-166.8-17700120.2
403T34.8Very low33.1Very low131 Ų131143.8 Ų143.880%0.80476%0.762SS**  cis73.6114.427.379.40000118
404T37.8Very low33.3Very low146 Ų146146.8 Ų146.890%0.89677%0.774SS**  trans-128.5115.9176.5-440000111.9
405S32Very low33.2Very low105 Ų105147.8 Ų147.873%0.73478%0.775SS**  trans-173.6111.1163.551.20000108.2
406V33.6Very low33.3Very low125 Ų125146.6 Ų146.676%0.75878%0.784SS**  73.2113.784.8170.90000112.2
407D27.6Very low33.4Very low159 Ų159144.4 Ų144.485%0.8579%0.791SS**  trans-72.3156.7172.5-69.1-61.4000112.7
408F31.6Very low33.5Very low202 Ų202147.3 Ų147.389%0.88680%0.799SS**  trans-109.3159.6172.3-84.3-100.3000110.6
409Q33.4Very low33.5Very low161 Ų161143 Ų14375%0.75280%0.801SS**  trans-109.7148.2173.4-128.2-162.1-65.200112
410D34.2Very low34.5Very low137 Ų137141.5 Ų141.573%0.73380%0.799SS**  trans65.3128.9158.5-53.6-17.3000120.3
411E34.2Very low34.2Very low181 Ų181145.3 Ų145.385%0.84681%0.808SS**  trans-131.8143.9172.1179.7174.3-159.800108.6
412V33.5Very low34.1Very low132 Ų132143.4 Ų143.480%0.881%0.806SS**  trans-128.3127.2-179.2175.90000109.9
413T31Very low34.1Very low124 Ų124143.4 Ų143.476%0.76181%0.808SS**  trans-125.6141176.3-68.20000110.5
414M39.5Very low33.9Very low173 Ų173145.3 Ų145.385%0.85281%0.808SS**  trans-121.4145170.6-68.8-178.1170.400110.1
415D31.3Very low33.5Very low162 Ų162144.4 Ų144.487%0.86680%0.802SS**  trans-157.9169.8135.9-140-30.7000111.3
416T35.2Very low33.3Very low127 Ų127144.8 Ų144.878%0.77981%0.805SS**  trans-138.3153-171.2-67.70000112.9
417T35Very low33.2Very low139 Ų139147 Ų14785%0.85381%0.809SS**  trans-134.2161.1-172.6-70.20000113.2
418M33.6Very low34Very low184 Ų184145.2 Ų145.291%0.90681%0.806SS**  trans-75165.9-164.3-63.3-78.9-176.400117
419A32.3Very low33.7Very low91 Ų91139.1 Ų139.175%0.75280%0.801SS**  trans-98.7-162.1175.100000111.6
420P51.6Low33.4Very low115 Ų115137.6 Ų137.675%0.74780%0.798SS**  cis-142.4-175.2-1.344.5-25.6000117.5
421N27.9Very low33.3Very low163 Ų163141.7 Ų141.787%0.87280%0.803SS**  trans-163.9171.6160.1-120.2-103.3000110.1
422S30.6Very low33.4Very low105 Ų105137.5 Ų137.573%0.73480%0.799SS**  cis-138-123.82.362.80000113
423L35Very low33.5Very low150 Ų150141 Ų14179%0.78581%0.807SS**  trans-161.5158.5-164-116.5171.5000117.3
424Q31.5Very low33.8Very low171 Ų171142.5 Ų142.580%0.79981%0.805SS**  trans78.1156.4165.7-58.1-179.517.300120.1
425T29.7Very low34Very low126 Ų126139.8 Ų139.877%0.77380%0.8SS**  cis-170.9151.5-31.8-79.40000110
426S27.1Very low34.1Very low114 Ų114138.1 Ų138.180%0.79779%0.787SS**  trans97.5140.1159.9-147.50000121.3
427M31.7Very low34.2Very low170 Ų170140 Ų14084%0.83779%0.79SS**  trans-113.5-168.6166.1-66.3-78.8-75.200108.3
428P43.6Very low34.1Very low122 Ų122140.3 Ų140.379%0.79278%0.783SS**  cis-128.1178-18.340.6-26.3000113.8
429G26.1Very low34.3Very low75 Ų75141.8 Ų141.877%0.77378%0.78SS**  trans163.197.8156.200000122.8
430N27.7Very low34.6Very low129 Ų129143.6 Ų143.669%0.6978%0.777SS**  62.596.7128.5-156.352.9000123.8
431R31.9Very low34.1Very low222 Ų222141.2 Ų141.284%0.83877%0.767SS**  trans66133.7133.1-73.1-172.6-120.6-138.2-1.9124
432A35.7Very low34.6Very low94 Ų94143.7 Ų143.778%0.77776%0.764SS**  trans77.589.5135.900000120.5
433Q36.6Very low35.4Very low204 Ų204146.9 Ų146.995%0.95377%0.767SS**  -155.6137.8115.6-112.8168.11.500111.3
434E35.8Very low35.7Very low157 Ų157149.2 Ų149.273%0.73477%0.771SS**  trans-108.4159.3162.2-131.6-159.8117.100107E436E434-E436 PolarHBondContact OE1-N 3.45Å
435P44.9Very low36.3Very low115 Ų115150.2 Ų150.275%0.74778%0.776SS**  -137.9144.367.236.1-19.5000116.3
436E32.1Very low36.5Very low128 Ų128152.7 Ų152.760%0.59878%0.779SS**  31111.6124.9-166.4173.2-150.300118.6E434 M438E434-E436 PolarHBondContact OE1-N 3.45Å; E436-M438 HydrophobicContact CG-CG 4.42Å; E436-M438 WeakPolarHBondContact OE1-CE 3.29Å
437M37.4Very low37.9Very low167 Ų167156.6 Ų156.682%0.82380%0.801SS**  trans-136.7112.9144-163.1171.3-65.600109.3
438M32.6Very low38.2Very low145 Ų145155.9 Ų155.971%0.71480%0.799SS**  trans-65.4134.7-173.1-64.4172.7163.500112.7E436E436-M438 HydrophobicContact CG-CG 4.42Å; E436-M438 WeakPolarHBondContact OE1-CE 3.29Å
439Y38.3Very low38Very low215 Ų215157.7 Ų157.784%0.84380%0.8SS**  trans-127.294.2154.3-82.5-76.7000108.8A441Y439-A441 PolarHBondContact O-N 3.04Å
440D39.6Very low38.6Very low128 Ų128162.3 Ų162.368%0.68480%0.801SS**  trans-75.7108.4-176.2-155.54.8000109.9W442D440-W442 VanDerWaalsContact O-CD1 3.32Å; D440-W442 PolarHBondContact O-N 2.78Å; D440-W442 VanDerWaalsContact O-N 3.11Å
441A41Very low39.3Very low65 Ų65164.2 Ų164.254%0.53781%0.808SS.*  trans-82.590-172.600000110.5Y439 H443Y439-A441 PolarHBondContact O-N 3.04Å; A441-H443 PolarHBondContact O-N 3.37Å; A441-H443 PolarHBondContact O-ND1 3.38Å
442W38.2Very low39.7Very low216 Ų216160.6 Ų160.682%0.81881%0.806SS**  trans-63.894176-74.183.9000111.8D440 F444D440-W442 VanDerWaalsContact O-CD1 3.32Å; D440-W442 PolarHBondContact O-N 2.78Å; D440-W442 VanDerWaalsContact O-N 3.11Å; W442-F444 PolarHBondContact O-N 2.92Å
443H46.5Very low40Very low172 Ų172165.1 Ų165.180%0.79681%0.808SS**  trans-75.7111.4173.6-71.763.5000109.3A441A441-H443 PolarHBondContact O-N 3.37Å; A441-H443 PolarHBondContact O-ND1 3.38Å
444F42.6Very low40.2Very low199 Ų199162.3 Ų162.387%0.87380%0.797SS**  trans-72.1136.9166.6-102.8-95.6000110.3W442W442-F444 PolarHBondContact O-N 2.92Å
445Q42.2Very low40.6Very low192 Ų192162.7 Ų162.790%0.89780%0.802SS**  trans-120.5110.1178.7-160164.118.200107.6
446E35.6Very low40.2Very low177 Ų177166.7 Ų166.783%0.82781%0.807SS**  trans-86163.3179.6-88.9-157.1118.700112.4
447P56.5Low41Very low196 Ų196170.2 Ų170.2100%1.27383%0.826SS**  trans-73.50-145.9-21.734.6000118.6

Retrieved 447 of 447 residues in 1128.1 ms (Link to these results)