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Regulator of DNA class I crossover intermediates 1

Involved in recombination, probably acting by stabilizing recombination intermediates during meiotic crossover formation1,2. Required for normal germline development and fertility3,4. Required for meiotic progression, complete chromosomal synapsis and crossover formation5,6. Binds double-stranded DNA7. However, also binds branched DNA molecules, such as those containing a D-loop or Holliday junction structure8. Probably not required for formation of DNA double-strand breaks (DSBs)9. Also binds RNA in an RNA structure-independent manner, with a preference for binding 3'-UTR regions of mRNAs; may stabilize bound RNAs10.

AlphaFold DB , UniProt , Accession A0A087WRU1, Species MOUSE (Mus musculus, Mouse), Gene Redic1, Length 652 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
1M45.5Very low60Low219 Ų219135.9 Ų135.9100%1.07970%0.704SS**  0136.10-88.372.2120.700109.7W3M1-W3 PolarHBondContact O-N 3.46Å
2N46.6Very low61.2Low155 Ų155133.9 Ų133.983%0.82969%0.694SS**  trans-82.5114.1-177-69.2-7.9000111.3V4N2-V4 HydrophobicContact CB-CG2 4.44Å; N2-V4 PolarHBondContact O-N 3.11Å
3W58.8Low62.3Low247 Ų247130.7 Ų130.794%0.93668%0.677SS**G310 helixtrans-74.9-5.7178.4-85.261.1000114.3M1 G5M1-W3 PolarHBondContact O-N 3.46Å; W3-G5 VanDerWaalsContact C-N 3.29Å; W3-G5 PolarHBondContact O-N 3.18Å
4V59.2Low63.9Low132 Ų132131.7 Ų131.780%0.867%0.674SS**G310 helixtrans-78.7-3.8-166.1-138.20000114.7N2N2-V4 HydrophobicContact CB-CG2 4.44Å; N2-V4 PolarHBondContact O-N 3.11Å
5G55.3Low65.3Low59 Ų59129.5 Ų129.561%0.60866%0.66SS**G310 helixtrans-83.2-8.2-178.100000116W3W3-G5 VanDerWaalsContact C-N 3.29Å; W3-G5 PolarHBondContact O-N 3.18Å
6G58.5Low66.5Low30 Ų30127 Ų12731%0.30964%0.644SS.*Hα-helixtrans-74.8-31.1-167.400000116.2R10G6-R10 WeakPolarHBondContact O-CB 3.15Å; G6-R10 VanDerWaalsContact O-CG 3.25Å; G6-R10 WeakPolarHBondContact O-CG 3.33Å; G6-R10 PolarHBondContact O-N 2.77Å; G6-R10 VanDerWaalsContact O-N 3.15Å
7S62Low67.6Low89 Ų89130.1 Ų130.162%0.62265%0.646SS**Hα-helixtrans-70.5-47-164.4-50.20000113.4S9 R10 V11S7-S9 PolarHBondContact O-N 3.43Å; S7-R10 PolarHBondContact O-N 2.96Å; S7-V11 WeakPolarHBondContact O-CG2 3.37Å; S7-V11 PolarHBondContact O-N 2.71Å; S7-V11 VanDerWaalsContact O-N 3.09Å
8R63.1Low68.7Low218 Ų218131.7 Ų131.782%0.82364%0.644SS**Hα-helixtrans-62.3-43.9-179.3-76.3-179.5169.6152.9-1.9112.2R10 V11 L12R8-R10 PolarHBondContact O-N 2.72Å; R8-V11 PolarHBondContact O-N 2.73Å; R8-L12 WeakPolarHBondContact O-CG 3.06Å; R8-L12 PolarHBondContact O-N 3.21Å; R8-L12 VanDerWaalsContact O-N 3.11Å
9S66.4Low69.8Low68 Ų68130.4 Ų130.448%0.47663%0.634SS.*Hα-helixtrans-65.9-36.2176.9-53.30000112.6S7 L12 I13S7-S9 PolarHBondContact O-N 3.43Å; S9-L12 PolarHBondContact O-N 3.39Å; S9-I13 WeakPolarHBondContact O-CB 3.13Å; S9-I13 WeakPolarHBondContact O-CD1 3.26Å; S9-I13 VanDerWaalsContact O-CG1 3.22Å; S9-I13 WeakPolarHBondContact O-CG1 3.28Å; S9-I13 PolarHBondContact O-N 2.8Å
10R70.5Confident70.7Confident185 Ų185128.7 Ų128.770%0.69863%0.625SS**Hα-helixtrans-64.7-39.9175.2-75.3172.6-175.9-134.42.2112.4G6 S7 R8 K14G6-R10 WeakPolarHBondContact O-CB 3.15Å; G6-R10 VanDerWaalsContact O-CG 3.25Å; G6-R10 WeakPolarHBondContact O-CG 3.33Å; G6-R10 PolarHBondContact O-N 2.77Å; G6-R10 VanDerWaalsContact O-N 3.15Å; S7-R10 PolarHBondContact O-N 2.96Å; R8-R10 PolarHBondContact O-N 2.72Å; R10-K14 WeakPolarHBondContact O-CB 3.28Å; R10-K14 WeakPolarHBondContact O-CG 3.46Å; R10-K14 PolarHBondContact O-N 3.1Å
11V73.5Confident71.7Confident93 Ų93128.7 Ų128.756%0.56462%0.622SS**Hα-helixtrans-64.6-47.3175.71740000110.9S7 R8 I13 K14 Q15S7-V11 WeakPolarHBondContact O-CG2 3.37Å; S7-V11 PolarHBondContact O-N 2.71Å; S7-V11 VanDerWaalsContact O-N 3.09Å; R8-V11 PolarHBondContact O-N 2.73Å; V11-I13 PolarHBondContact O-N 3.1Å; V11-K14 PolarHBondContact O-N 3.15Å; V11-Q15 PolarHBondContact O-N 3.13Å
12L74.8Confident73.8Confident112 Ų112123 Ų12359%0.58659%0.593SS**Hα-helixtrans-61-43.3177.6-69171.7000112.3R8 S9 K14 Q15 E16R8-L12 WeakPolarHBondContact O-CG 3.06Å; R8-L12 PolarHBondContact O-N 3.21Å; R8-L12 VanDerWaalsContact O-N 3.11Å; S9-L12 PolarHBondContact O-N 3.39Å; L12-K14 PolarHBondContact O-N 3.05Å; L12-Q15 PolarHBondContact O-N 3.39Å; L12-E16 WeakPolarHBondContact O-CB 3.08Å; L12-E16 PolarHBondContact O-N 2.93Å
13I76.1Confident75.7Confident92 Ų92121.7 Ų121.747%0.47258%0.577SS.*Hα-helixtrans-64.3-39.1175.8-67.9164.4000111.5S9 V11 R17S9-I13 WeakPolarHBondContact O-CB 3.13Å; S9-I13 WeakPolarHBondContact O-CD1 3.26Å; S9-I13 VanDerWaalsContact O-CG1 3.22Å; S9-I13 WeakPolarHBondContact O-CG1 3.28Å; S9-I13 PolarHBondContact O-N 2.8Å; V11-I13 PolarHBondContact O-N 3.1Å; I13-R17 WeakPolarHBondContact O-CB 3.16Å; I13-R17 VanDerWaalsContact O-CG 3.29Å; I13-R17 WeakPolarHBondContact O-CG 3.4Å; I13-R17 PolarHBondContact O-N 3.17Å
14K84.1Confident77.2Confident145 Ų145116.7 Ų116.763%0.6356%0.562SS**Hα-helixtrans-63.1-46173.9-80.7-175.8173.9-170.10111.4R10 V11 L12 R17 R18R10-K14 WeakPolarHBondContact O-CB 3.28Å; R10-K14 WeakPolarHBondContact O-CG 3.46Å; R10-K14 PolarHBondContact O-N 3.1Å; V11-K14 PolarHBondContact O-N 3.15Å; L12-K14 PolarHBondContact O-N 3.05Å; K14-R17 PolarHBondContact O-N 2.81Å; K14-R18 PolarHBondContact O-N 3.14Å
15Q84.6Confident78.7Confident99 Ų99114.4 Ų114.446%0.46354%0.543SS..Hα-helixtrans-64.2-41.5179.7-166.9-175.122.900111.8V11 L12 R18 K19V11-Q15 PolarHBondContact O-N 3.13Å; L12-Q15 PolarHBondContact O-N 3.39Å; Q15-R18 PolarHBondContact O-N 3Å; Q15-K19 WeakPolarHBondContact O-CG 3.25Å; Q15-K19 PolarHBondContact O-N 2.82Å
16E84.7Confident80.2Confident89 Ų89115.1 Ų115.142%0.41653%0.527SS..Hα-helixtrans-65.6-40.7177-176.254-152.100111.9L12 R18 K19 Q20L12-E16 WeakPolarHBondContact O-CB 3.08Å; L12-E16 PolarHBondContact O-N 2.93Å; E16-R18 PolarHBondContact O-N 2.7Å; E16-K19 PolarHBondContact O-N 2.98Å; E16-Q20 WeakPolarHBondContact O-CG 3.47Å; E16-Q20 PolarHBondContact O-N 2.77Å; E16-Q20 PolarHBondContact OE1-NE2 2.97Å
17R86.2Confident81.4Confident179 Ų179116.5 Ų116.568%0.67553%0.527SS*.Hα-helixtrans-61.5-39.3172.3-74.3175.2-176.8-174.21.3112.9I13 K14 Q20 K21I13-R17 WeakPolarHBondContact O-CB 3.16Å; I13-R17 VanDerWaalsContact O-CG 3.29Å; I13-R17 WeakPolarHBondContact O-CG 3.4Å; I13-R17 PolarHBondContact O-N 3.17Å; K14-R17 PolarHBondContact O-N 2.81Å; R17-Q20 PolarHBondContact O-N 2.75Å; R17-K21 PolarHBondContact O-N 3.06Å
18R87.3Confident82.7Confident159 Ų159119 Ų11960%0.653%0.527SS*.Hα-helixtrans-60.5-51.5174.1-73.7-179.6176.9172.4-2.3110.5K14 Q15 E16 Q20 K21 E22K14-R18 PolarHBondContact O-N 3.14Å; Q15-R18 PolarHBondContact O-N 3Å; E16-R18 PolarHBondContact O-N 2.7Å; R18-Q20 VanDerWaalsContact C-N 3.34Å; R18-Q20 PolarHBondContact O-N 2.94Å; R18-K21 WeakPolarHBondContact O-CB 3.42Å; R18-K21 PolarHBondContact O-N 3.4Å; R18-K21 VanDerWaalsContact O-N 3.15Å; R18-E22 WeakPolarHBondContact O-CG 3.39Å; R18-E22 PolarHBondContact O-N 3.14Å
19K89.1Confident83.7Confident108 Ų108109.4 Ų109.447%0.4749%0.492SS..Hα-helixtrans-56.6-42.4176.7-70.6175.3-179.1174.60113.5Q15 E16 Y23Q15-K19 WeakPolarHBondContact O-CG 3.25Å; Q15-K19 PolarHBondContact O-N 2.82Å; E16-K19 PolarHBondContact O-N 2.98Å; K19-Y23 WeakPolarHBondContact O-CB 3.34Å; K19-Y23 PolarHBondContact O-N 3.02Å
20Q87.8Confident84.5Confident96 Ų96109.8 Ų109.845%0.44949%0.485SS..Hα-helixtrans-66.3-42.5177.8-71.6176.813.800111.7E16 R17 R18 Y23 F24E16-Q20 WeakPolarHBondContact O-CG 3.47Å; E16-Q20 PolarHBondContact O-N 2.77Å; E16-Q20 PolarHBondContact OE1-NE2 2.97Å; R17-Q20 PolarHBondContact O-N 2.75Å; R18-Q20 VanDerWaalsContact C-N 3.34Å; R18-Q20 PolarHBondContact O-N 2.94Å; Q20-Y23 PolarHBondContact O-N 3.01Å; Q20-F24 WeakPolarHBondContact O-CD2 3.49Å; Q20-F24 PolarHBondContact O-N 2.86Å
21K92.2Very high84.9Confident129 Ų129104.2 Ų104.256%0.56148%0.475SS*.Hα-helixtrans-58.9-50.8174.4-177-176.4170.8-170.90111.2R17 R18 Y23 F24 E25R17-K21 PolarHBondContact O-N 3.06Å; R18-K21 WeakPolarHBondContact O-CB 3.42Å; R18-K21 PolarHBondContact O-N 3.4Å; R18-K21 VanDerWaalsContact O-N 3.15Å; K21-Y23 VanDerWaalsContact C-N 3.29Å; K21-Y23 PolarHBondContact O-N 3.24Å; K21-F24 PolarHBondContact O-N 3.29Å; K21-E25 WeakPolarHBondContact CE-OE1 3.46Å; K21-E25 IonicContact NZ-OE1 3.81Å; K21-E25 PolarHBondContact O-N 3.32Å
22E88Confident85.4Confident98 Ų98105.3 Ų105.346%0.45847%0.472SS..Hα-helixtrans-57.5-39.7177-71.2164.7-145.200112.5R18 R26R18-E22 WeakPolarHBondContact O-CG 3.39Å; R18-E22 PolarHBondContact O-N 3.14Å; E22-R26 WeakPolarHBondContact O-CB 3.24Å; E22-R26 PolarHBondContact O-N 3.3Å
23Y88.5Confident85.6Confident129 Ų129100.2 Ų100.251%0.50645%0.445SS..Hα-helixtrans-62.9-47.2176.4176.9-93.9000112.2K19 Q20 K21 N27K19-Y23 WeakPolarHBondContact O-CB 3.34Å; K19-Y23 PolarHBondContact O-N 3.02Å; Q20-Y23 PolarHBondContact O-N 3.01Å; K21-Y23 VanDerWaalsContact C-N 3.29Å; K21-Y23 PolarHBondContact O-N 3.24Å; Y23-N27 WeakPolarHBondContact CE1-ND2 3.14Å; Y23-N27 WeakPolarHBondContact O-CB 3.4Å; Y23-N27 PolarHBondContact O-N 2.81Å; Y23-N27 PolarHBondContact OH-ND2 3.3Å
24F89.4Confident85.8Confident142 Ų142104.1 Ų104.162%0.62346%0.459SS*.Hα-helixtrans-65.8-41.5177.3-77.9-66.8000112.3Q20 K21 N27 K28Q20-F24 WeakPolarHBondContact O-CD2 3.49Å; Q20-F24 PolarHBondContact O-N 2.86Å; K21-F24 PolarHBondContact O-N 3.29Å; F24-N27 PolarHBondContact O-N 3.18Å; F24-K28 VanDerWaalsContact O-CB 3.27Å; F24-K28 WeakPolarHBondContact O-CB 3.41Å; F24-K28 PolarHBondContact O-N 2.82Å
25E89.6Confident85.4Confident84 Ų84104.7 Ų104.739%0.39347%0.468SS..Hα-helixtrans-66.1-46.2177.8-73176.8171.500111.6K21 N27 K28 L29K21-E25 WeakPolarHBondContact CE-OE1 3.46Å; K21-E25 IonicContact NZ-OE1 3.81Å; K21-E25 PolarHBondContact O-N 3.32Å; E25-N27 VanDerWaalsContact C-N 3.33Å; E25-N27 PolarHBondContact O-N 3.34Å; E25-K28 PolarHBondContact O-N 3.48Å; E25-L29 WeakPolarHBondContact O-CB 3.34Å; E25-L29 PolarHBondContact O-N 3.14Å
26R86.8Confident84.7Confident74 Ų74103 Ų10328%0.27946%0.461SS..Hα-helixtrans-58.4-41.8173.7-179.6-174.7-95.6154.2-7.7111.9E22 L29 K30 V47 L49 L52E22-R26 WeakPolarHBondContact O-CB 3.24Å; E22-R26 PolarHBondContact O-N 3.3Å; R26-L29 PolarHBondContact O-N 3.03Å; R26-K30 HydrophobicContact CG-CD 4.42Å; R26-K30 WeakPolarHBondContact O-CB 3.35Å; R26-K30 VanDerWaalsContact O-CG 3.31Å; R26-K30 WeakPolarHBondContact O-CG 3.47Å; R26-K30 PolarHBondContact O-N 2.94Å; R26-V47 PolarHBondContact NE-O 3.22Å; R26-V47 PolarHBondContact NH2-O 2.93Å; R26-L49 HydrophobicContact CB-CD1 4.45Å; R26-L52 HydrophobicContact CG-CD2 4.36Å
27N85.4Confident83.7Confident58 Ų58101.9 Ų101.931%0.3147%0.474SS..Hα-helixtrans-70.3-40.3178.1-80-10.2000112.7Y23 F24 E25 L29 K30 S31Y23-N27 WeakPolarHBondContact CE1-ND2 3.14Å; Y23-N27 WeakPolarHBondContact O-CB 3.4Å; Y23-N27 PolarHBondContact O-N 2.81Å; Y23-N27 PolarHBondContact OH-ND2 3.3Å; F24-N27 PolarHBondContact O-N 3.18Å; E25-N27 VanDerWaalsContact C-N 3.33Å; E25-N27 PolarHBondContact O-N 3.34Å; N27-L29 VanDerWaalsContact C-N 3.27Å; N27-L29 PolarHBondContact O-N 3.15Å; N27-K30 PolarHBondContact O-N 2.83Å; N27-S31 PolarHBondContact O-N 2.75Å; N27-S31 PolarHBondContact O-OG 2.97Å
28K88.7Confident82.5Confident141 Ų14194.1 Ų94.161%0.61345%0.447SS*.Hα-helixtrans-62.8-34173.3-175.9178-178.4179.40112F24 E25 S31 K32F24-K28 VanDerWaalsContact O-CB 3.27Å; F24-K28 WeakPolarHBondContact O-CB 3.41Å; F24-K28 PolarHBondContact O-N 2.82Å; E25-K28 PolarHBondContact O-N 3.48Å; K28-S31 PolarHBondContact O-OG 2.83Å; K28-K32 WeakPolarHBondContact O-CG 3.23Å; K28-K32 PolarHBondContact O-N 3.36Å
29L84.1Confident81.2Confident18 Ų1892.5 Ų92.59%0.09445%0.454CS..Hα-helixtrans-75.5-40.2176-16659.8000111.8E25 R26 N27 S31 K32 L33 L49 L52 N53 V56E25-L29 WeakPolarHBondContact O-CB 3.34Å; E25-L29 PolarHBondContact O-N 3.14Å; R26-L29 PolarHBondContact O-N 3.03Å; N27-L29 VanDerWaalsContact C-N 3.27Å; N27-L29 PolarHBondContact O-N 3.15Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 2.83Å; L29-K32 WeakPolarHBondContact O-CB 3.47Å; L29-K32 PolarHBondContact O-N 2.84Å; L29-L33 PolarHBondContact O-N 3.18Å; L29-L49 HydrophobicContact CD2-CD1 3.99Å; L29-L52 HydrophobicContact CB-CD2 4.03Å; L29-L52 HydrophobicContact CD2-CB 3.96Å; L29-L52 HydrophobicContact CD2-CD2 3.78Å; L29-L52 HydrophobicContact CD2-CG 3.57Å; L29-L52 HydrophobicContact CG-CD2 3.93Å; L29-L52 HydrophobicContact CG-CG 3.87Å; L29-N53 WeakPolarHBondContact CD2-OD1 3.49Å; L29-V56 HydrophobicContact CD1-CB 4.28Å; L29-V56 HydrophobicContact CD1-CG1 4.27Å; L29-V56 HydrophobicContact CD1-CG2 3.85Å; L29-V56 HydrophobicContact CG-CG2 4.2Å
30K82.4Confident79.8Confident76 Ų7690.6 Ų90.633%0.3345%0.454SS..Hα-helixtrans-60.7-38.6171-76175.8178.4-178.30112.8R26 N27 L33 K34 L52R26-K30 HydrophobicContact CG-CD 4.42Å; R26-K30 WeakPolarHBondContact O-CB 3.35Å; R26-K30 VanDerWaalsContact O-CG 3.31Å; R26-K30 WeakPolarHBondContact O-CG 3.47Å; R26-K30 PolarHBondContact O-N 2.94Å; N27-K30 PolarHBondContact O-N 2.83Å; K30-L33 PolarHBondContact O-N 2.85Å; K30-K34 WeakPolarHBondContact O-CG 3.36Å; K30-K34 PolarHBondContact O-N 3.16Å; K30-K34 VanDerWaalsContact O-N 3.11Å; K30-L52 HydrophobicContact CG-CD2 3.96Å
31S80.5Confident78.3Confident68 Ų6888 Ų8848%0.47645%0.446SS..Hα-helixtrans-70.4-38176.764.80000112.3N27 K28 L29 L33 K34 L35N27-S31 PolarHBondContact O-N 2.75Å; N27-S31 PolarHBondContact O-OG 2.97Å; K28-S31 PolarHBondContact O-OG 2.83Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 2.83Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 2.93Å; S31-K34 PolarHBondContact O-N 2.85Å; S31-L35 PolarHBondContact O-N 3.1Å
32K83.2Confident76.6Confident116 Ų11686.6 Ų86.650%0.50445%0.448SS..Hα-helixtrans-58.6-43168.6-76.4-179.4172.5-166.70112.3K28 L29 K34 L35 L36K28-K32 WeakPolarHBondContact O-CG 3.23Å; K28-K32 PolarHBondContact O-N 3.36Å; L29-K32 WeakPolarHBondContact O-CB 3.47Å; L29-K32 PolarHBondContact O-N 2.84Å; K32-K34 PolarHBondContact O-N 2.98Å; K32-L35 WeakPolarHBondContact O-CB 3.27Å; K32-L35 PolarHBondContact O-N 3.22Å; K32-L35 VanDerWaalsContact O-N 3.14Å; K32-L36 WeakPolarHBondContact O-CG 3.11Å; K32-L36 PolarHBondContact O-N 3.08Å
33L79.3Confident75.2Confident4 Ų492.4 Ų92.42%0.02147%0.472CS..Hα-helixtrans-62.8-41.8179.5-165.771.9000112.1L29 K30 S31 L35 L36 V38 L52 Y55 V56L29-L33 PolarHBondContact O-N 3.18Å; K30-L33 PolarHBondContact O-N 2.85Å; S31-L33 VanDerWaalsContact C-N 3.33Å; S31-L33 PolarHBondContact O-N 2.93Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.23Å; L33-L36 PolarHBondContact O-N 3.18Å; L33-V38 HydrophobicContact CD1-CB 3.7Å; L33-V38 HydrophobicContact CD1-CG1 3.87Å; L33-V38 HydrophobicContact CD1-CG2 4.32Å; L33-V38 HydrophobicContact CG-CB 4.02Å; L33-V38 HydrophobicContact CG-CG1 4.34Å; L33-V38 PolarHBondContact O-N 2.86Å; L33-L52 HydrophobicContact CD2-CD1 4.13Å; L33-Y55 HydrophobicContact CD1-CD1 3.79Å; L33-Y55 HydrophobicContact CD1-CE1 3.75Å; L33-Y55 HydrophobicContact CD2-CD1 4.16Å; L33-Y55 HydrophobicContact CD2-CE1 4.05Å; L33-Y55 HydrophobicContact CG-CE1 4.47Å; L33-V56 HydrophobicContact CD1-CG2 3.8Å
34K79.2Confident73.7Confident175 Ų17593.1 Ų93.176%0.76148%0.477SS*.Hα-helixtrans-60.3-40.3171.9-71.4-177.2176.5-168.30112.5K30 S31 K32 L36 G37K30-K34 WeakPolarHBondContact O-CG 3.36Å; K30-K34 PolarHBondContact O-N 3.16Å; K30-K34 VanDerWaalsContact O-N 3.11Å; S31-K34 PolarHBondContact O-N 2.85Å; K32-K34 PolarHBondContact O-N 2.98Å; K34-L36 VanDerWaalsContact C-N 3.33Å; K34-G37 PolarHBondContact O-N 3.35Å
35L76.1Confident72.2Confident156 Ų15691.5 Ų91.582%0.81748%0.481SS*.Hα-helixtrans-65.4-36.3178.4-164.288000112.2S31 K32 L33 G37S31-L35 PolarHBondContact O-N 3.1Å; K32-L35 WeakPolarHBondContact O-CB 3.27Å; K32-L35 PolarHBondContact O-N 3.22Å; K32-L35 VanDerWaalsContact O-N 3.14Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.23Å; L35-G37 PolarHBondContact O-N 3.03Å
36L69.4Low71Confident63 Ų6392 Ų9233%0.3349%0.494SS..THydrogen-bonded Turntrans-74.75.6177.2-67.5173.3000113.5K32 L33 K34 V38 M63K32-L36 WeakPolarHBondContact O-CG 3.11Å; K32-L36 PolarHBondContact O-N 3.08Å; L33-L36 PolarHBondContact O-N 3.18Å; K34-L36 VanDerWaalsContact C-N 3.33Å; L36-V38 HydrophobicContact CB-CG2 3.87Å; L36-V38 WeakPolarHBondContact O-CG2 3.49Å; L36-V38 PolarHBondContact O-N 3.09Å; L36-V38 VanDerWaalsContact O-N 3.12Å; L36-M63 HydrophobicContact CD2-SD 4.35Å
37G64.7Low70.2Confident66 Ų6690.3 Ų90.368%0.6849%0.491SS*.THydrogen-bonded Turntrans67.47.5-177.200000114.1K34 L35 V39K34-G37 PolarHBondContact O-N 3.35Å; L35-G37 PolarHBondContact O-N 3.03Å; G37-V39 PolarHBondContact O-N 3.02Å
38V61.4Low69.9Low17 Ų1790.1 Ų90.110%0.10350%0.495CS..PPolyproline II helixtrans-84.3121.5-172.8-175.50000110.3L33 L36 S40 Y55 Q59L33-V38 HydrophobicContact CD1-CB 3.7Å; L33-V38 HydrophobicContact CD1-CG1 3.87Å; L33-V38 HydrophobicContact CD1-CG2 4.32Å; L33-V38 HydrophobicContact CG-CB 4.02Å; L33-V38 HydrophobicContact CG-CG1 4.34Å; L33-V38 PolarHBondContact O-N 2.86Å; L36-V38 HydrophobicContact CB-CG2 3.87Å; L36-V38 WeakPolarHBondContact O-CG2 3.49Å; L36-V38 PolarHBondContact O-N 3.09Å; L36-V38 VanDerWaalsContact O-N 3.12Å; V38-S40 PolarHBondContact O-N 2.04Å; V38-Y55 HydrophobicContact CG1-CE1 3.43Å; V38-Y55 VanDerWaalsContact CG1-CE1 3.43Å; V38-Y55 WeakPolarHBondContact CG1-OH 2.86Å; V38-Q59 HydrophobicContact CG1-CG 4Å; V38-Q59 VanDerWaalsContact CG1-NE2 3.31Å; V38-Q59 HydrophobicContact CG2-CB 4.33Å; V38-Q59 HydrophobicContact CG2-CG 4.15Å; V38-Q59 VanDerWaalsContact CG2-NE2 3.33Å
39V59.4Low69.5Low124 Ų12485.3 Ų85.375%0.75248%0.476SS*.PPolyproline II helixtrans-61.7121.2173-173.70000109G37 Y55G37-V39 PolarHBondContact O-N 3.02Å; V39-Y55 PolarHBondContact O-OH 3.1Å
40S59Low69.6Low68 Ų6890 Ų9048%0.47650%0.501SS..PPolyproline II helixtrans-52.6127.6178.1-178.10000110.5V38 V42V38-S40 PolarHBondContact O-N 2.04Å; S40-V42 PolarHBondContact O-N 2.83Å
41P56.6Low69.8Low43 Ų4391 Ų9128%0.27951%0.509SS..SBendtrans-69.1109.2-178.828-32.1000108.1Y55P41-Y55 HydrophobicContact CB-CE1 4.47Å; P41-Y55 HydrophobicContact CB-CE2 4.25Å; P41-Y55 VanDerWaalsContact CD-CE1 3.42Å; P41-Y55 HydrophobicContact CG-CD1 3.75Å; P41-Y55 HydrophobicContact CG-CD2 4.11Å; P41-Y55 HydrophobicContact CG-CE1 3.77Å; P41-Y55 HydrophobicContact CG-CE2 4.16Å; P41-Y55 HydrophobicContact CG-CG 3.92Å
42V56.4Low69.9Low99 Ų9988 Ų8860%0.649%0.488SS*.SBendtrans69.6136.6177.8-165.70000115.2S40 K44S40-V42 PolarHBondContact O-N 2.83Å; V42-K44 HydrophobicContact CG1-CB 4.1Å; V42-K44 HydrophobicContact CG1-CD 4.09Å; V42-K44 HydrophobicContact CG1-CG 3.88Å; V42-K44 PolarHBondContact O-N 3.04Å
43K58.6Low70Confident220 Ų22085.8 Ų85.896%0.95748%0.481SS*.SBendtrans-69.420.6177-60-179.7179.4177.30114.5
44K56.6Low70.4Confident143 Ų14390.1 Ų90.162%0.62250%0.504SS*.  trans-102124.8-175.2-74.5-179-178.9-178.20110.7V42 S46V42-K44 HydrophobicContact CG1-CB 4.1Å; V42-K44 HydrophobicContact CG1-CD 4.09Å; V42-K44 HydrophobicContact CG1-CG 3.88Å; V42-K44 PolarHBondContact O-N 3.04Å; K44-S46 PolarHBondContact O-N 3.25Å; K44-S46 VanDerWaalsContact O-N 3.08Å
45P58.3Low70.6Confident109 Ų10984.7 Ų84.771%0.70848%0.479SS*.THydrogen-bonded Turntrans-72.70.4-17629.4-35.6000114.9
46S65.1Low70.9Confident95 Ų9577.9 Ų77.966%0.66444%0.444SS*.THydrogen-bonded Turntrans-95.710.5-16960.10000115.8K44 S48K44-S46 PolarHBondContact O-N 3.25Å; K44-S46 VanDerWaalsContact O-N 3.08Å; S46-S48 PolarHBondContact O-N 2.79Å
47V69.7Low71.8Confident37 Ų3779.1 Ų79.122%0.22445%0.454CS..  trans-66.6128.3178.4-179.40000110.3R26 L51 L52R26-V47 PolarHBondContact NE-O 3.22Å; R26-V47 PolarHBondContact NH2-O 2.93Å; V47-L51 HydrophobicContact CG1-CB 3.94Å; V47-L51 HydrophobicContact CG1-CD2 4.08Å; V47-L51 HydrophobicContact CG1-CG 3.99Å; V47-L52 HydrophobicContact CG1-CB 4.35Å
48S79Confident72.8Confident55 Ų5579.9 Ų79.939%0.38544%0.443SS..  trans-62.1157.2176.859.20000111.6S46 D50 L51 L52S46-S48 PolarHBondContact O-N 2.79Å; S48-D50 PolarHBondContact O-N 3.17Å; S48-L51 PolarHBondContact O-N 3.03Å; S48-L51 VanDerWaalsContact OG-CB 3.3Å; S48-L51 WeakPolarHBondContact OG-CB 3.49Å; S48-L51 PolarHBondContact OG-N 3.24Å; S48-L52 PolarHBondContact O-N 3.1Å; S48-L52 VanDerWaalsContact O-N 3.14Å
49L80.8Confident73.7Confident39 Ų3981.6 Ų81.620%0.20445%0.45CS..Hα-helixtrans-61.3-39.3177.3-17860.3000110.6R26 L29 L52 N53R26-L49 HydrophobicContact CB-CD1 4.45Å; L29-L49 HydrophobicContact CD2-CD1 3.99Å; L49-L52 PolarHBondContact O-N 3.02Å; L49-N53 WeakPolarHBondContact O-CB 3.47Å; L49-N53 PolarHBondContact O-N 3.29Å
50D85.5Confident74.7Confident117 Ų11780.2 Ų80.263%0.62644%0.437SS*.Hα-helixtrans-66.2-41.1-178.8-46.4-47.8000112.3S48 L52 N53 L54S48-D50 PolarHBondContact O-N 3.17Å; D50-L52 VanDerWaalsContact C-N 3.32Å; D50-L52 PolarHBondContact O-N 2.79Å; D50-N53 WeakPolarHBondContact O-CB 3.39Å; D50-N53 PolarHBondContact O-N 3.11Å; D50-L54 VanDerWaalsContact O-CB 3.3Å; D50-L54 WeakPolarHBondContact O-CB 3.1Å; D50-L54 PolarHBondContact O-N 3.07Å
51L86.9Confident75.6Confident96 Ų9680.6 Ų80.650%0.50344%0.44SS..Hα-helixtrans-68.7-33.1175.9-175.855.3000111.6V47 S48 Y55V47-L51 HydrophobicContact CG1-CB 3.94Å; V47-L51 HydrophobicContact CG1-CD2 4.08Å; V47-L51 HydrophobicContact CG1-CG 3.99Å; S48-L51 PolarHBondContact O-N 3.03Å; S48-L51 VanDerWaalsContact OG-CB 3.3Å; S48-L51 WeakPolarHBondContact OG-CB 3.49Å; S48-L51 PolarHBondContact OG-N 3.24Å; L51-Y55 VanDerWaalsContact O-CB 3.27Å; L51-Y55 WeakPolarHBondContact O-CB 3.16Å; L51-Y55 PolarHBondContact O-N 3.48Å
52L82.4Confident76.1Confident7 Ų781 Ų814%0.03744%0.444CS..Hα-helixtrans-71.7-36.8173.3-17162.7000112R26 L29 K30 L33 V47 S48 L49 D50 V56R26-L52 HydrophobicContact CG-CD2 4.36Å; L29-L52 HydrophobicContact CB-CD2 4.03Å; L29-L52 HydrophobicContact CD2-CB 3.96Å; L29-L52 HydrophobicContact CD2-CD2 3.78Å; L29-L52 HydrophobicContact CD2-CG 3.57Å; L29-L52 HydrophobicContact CG-CD2 3.93Å; L29-L52 HydrophobicContact CG-CG 3.87Å; K30-L52 HydrophobicContact CG-CD2 3.96Å; L33-L52 HydrophobicContact CD2-CD1 4.13Å; V47-L52 HydrophobicContact CG1-CB 4.35Å; S48-L52 PolarHBondContact O-N 3.1Å; S48-L52 VanDerWaalsContact O-N 3.14Å; L49-L52 PolarHBondContact O-N 3.02Å; D50-L52 VanDerWaalsContact C-N 3.32Å; D50-L52 PolarHBondContact O-N 2.79Å; L52-V56 WeakPolarHBondContact O-CG2 3.37Å; L52-V56 PolarHBondContact O-N 3.32Å
53N85.6Confident76.5Confident68 Ų6880.7 Ų80.736%0.36444%0.437SS..Hα-helixtrans-63.3-51.3172.1-83-29.9000110.9L29 L49 D50 Y55 V56 V57L29-N53 WeakPolarHBondContact CD2-OD1 3.49Å; L49-N53 WeakPolarHBondContact O-CB 3.47Å; L49-N53 PolarHBondContact O-N 3.29Å; D50-N53 WeakPolarHBondContact O-CB 3.39Å; D50-N53 PolarHBondContact O-N 3.11Å; N53-Y55 VanDerWaalsContact C-N 3.29Å; N53-Y55 PolarHBondContact O-N 2.77Å; N53-V56 PolarHBondContact O-N 3.18Å; N53-V56 VanDerWaalsContact O-N 3.12Å; N53-V57 WeakPolarHBondContact O-CG2 3.4Å; N53-V57 PolarHBondContact O-N 2.68Å
54L87.9Confident76.8Confident95 Ų9576.7 Ų76.750%0.49742%0.419SS..Hα-helixtrans-58.9-42.1178.5-174.865.4000111.1D50 V57 N58D50-L54 VanDerWaalsContact O-CB 3.3Å; D50-L54 WeakPolarHBondContact O-CB 3.1Å; D50-L54 PolarHBondContact O-N 3.07Å; L54-V57 PolarHBondContact O-N 3.39Å; L54-N58 WeakPolarHBondContact O-CB 3.27Å; L54-N58 PolarHBondContact O-N 3.35Å; L54-N58 PolarHBondContact O-OD1 2.98Å
55Y82.8Confident76.8Confident61 Ų6176.5 Ų76.524%0.23942%0.421CS..Hα-helixtrans-61.6-44.3174.5-173.1-110.8000112.4L33 V38 V39 P41 L51 N53 N58 Q59L33-Y55 HydrophobicContact CD1-CD1 3.79Å; L33-Y55 HydrophobicContact CD1-CE1 3.75Å; L33-Y55 HydrophobicContact CD2-CD1 4.16Å; L33-Y55 HydrophobicContact CD2-CE1 4.05Å; L33-Y55 HydrophobicContact CG-CE1 4.47Å; V38-Y55 HydrophobicContact CG1-CE1 3.43Å; V38-Y55 VanDerWaalsContact CG1-CE1 3.43Å; V38-Y55 WeakPolarHBondContact CG1-OH 2.86Å; V39-Y55 PolarHBondContact O-OH 3.1Å; P41-Y55 HydrophobicContact CB-CE1 4.47Å; P41-Y55 HydrophobicContact CB-CE2 4.25Å; P41-Y55 VanDerWaalsContact CD-CE1 3.42Å; P41-Y55 HydrophobicContact CG-CD1 3.75Å; P41-Y55 HydrophobicContact CG-CD2 4.11Å; P41-Y55 HydrophobicContact CG-CE1 3.77Å; P41-Y55 HydrophobicContact CG-CE2 4.16Å; P41-Y55 HydrophobicContact CG-CG 3.92Å; L51-Y55 VanDerWaalsContact O-CB 3.27Å; L51-Y55 WeakPolarHBondContact O-CB 3.16Å; L51-Y55 PolarHBondContact O-N 3.48Å; N53-Y55 VanDerWaalsContact C-N 3.29Å; N53-Y55 PolarHBondContact O-N 2.77Å; Y55-N58 PolarHBondContact O-N 3.05Å; Y55-Q59 HydrophobicContact CD1-CG 4.36Å; Y55-Q59 HydrophobicContact CE1-CG 4.06Å; Y55-Q59 HydrophobicContact CE2-CG 4.24Å; Y55-Q59 WeakPolarHBondContact O-CB 3.16Å; Y55-Q59 VanDerWaalsContact O-CG 3.23Å; Y55-Q59 WeakPolarHBondContact O-CG 3.47Å; Y55-Q59 PolarHBondContact O-N 2.97Å
56V83.4Confident76.5Confident14 Ų1477 Ų779%0.08542%0.417CS..Hα-helixtrans-64.6-40.1176.2168.10000111.9L29 L33 L52 N53 Q59 I60L29-V56 HydrophobicContact CD1-CB 4.28Å; L29-V56 HydrophobicContact CD1-CG1 4.27Å; L29-V56 HydrophobicContact CD1-CG2 3.85Å; L29-V56 HydrophobicContact CG-CG2 4.2Å; L33-V56 HydrophobicContact CD1-CG2 3.8Å; L52-V56 WeakPolarHBondContact O-CG2 3.37Å; L52-V56 PolarHBondContact O-N 3.32Å; N53-V56 PolarHBondContact O-N 3.18Å; N53-V56 VanDerWaalsContact O-N 3.12Å; V56-Q59 PolarHBondContact O-N 3.41Å; V56-I60 HydrophobicContact CG1-CD1 3.83Å; V56-I60 WeakPolarHBondContact O-CD1 3.2Å; V56-I60 VanDerWaalsContact O-CG1 3.25Å; V56-I60 WeakPolarHBondContact O-CG1 3.31Å; V56-I60 PolarHBondContact O-N 2.83Å
57V87.9Confident75.8Confident89 Ų8976.2 Ų76.254%0.53941%0.412SS..Hα-helixtrans-64.3-45.7175.8171.20000111.1N53 L54 Q59 I60 S61N53-V57 WeakPolarHBondContact O-CG2 3.4Å; N53-V57 PolarHBondContact O-N 2.68Å; L54-V57 PolarHBondContact O-N 3.39Å; V57-Q59 VanDerWaalsContact C-N 3.35Å; V57-Q59 PolarHBondContact O-N 3.18Å; V57-I60 PolarHBondContact O-N 2.97Å; V57-S61 PolarHBondContact O-N 3.49Å
58N86.1Confident74.9Confident82 Ų8281.6 Ų81.644%0.43944%0.435SS..Hα-helixtrans-60.8-44176.8-711.9000111.2L54 Y55 I60 S61 S62L54-N58 WeakPolarHBondContact O-CB 3.27Å; L54-N58 PolarHBondContact O-N 3.35Å; L54-N58 PolarHBondContact O-OD1 2.98Å; Y55-N58 PolarHBondContact O-N 3.05Å; N58-I60 PolarHBondContact O-N 3.05Å; N58-S61 WeakPolarHBondContact O-CB 3.41Å; N58-S61 PolarHBondContact O-N 2.93Å; N58-S61 VanDerWaalsContact O-N 3.13Å; N58-S62 PolarHBondContact O-N 3.47Å; N58-S62 PolarHBondContact O-OG 3.38Å
59Q79.5Confident73.5Confident52 Ų5283.7 Ų83.724%0.24345%0.445CS..Hα-helixtrans-64.2-39.2176.6-69.2-66.5101.100112.5V38 Y55 V56 V57 S61 S62 M63V38-Q59 HydrophobicContact CG1-CG 4Å; V38-Q59 VanDerWaalsContact CG1-NE2 3.31Å; V38-Q59 HydrophobicContact CG2-CB 4.33Å; V38-Q59 HydrophobicContact CG2-CG 4.15Å; V38-Q59 VanDerWaalsContact CG2-NE2 3.33Å; Y55-Q59 HydrophobicContact CD1-CG 4.36Å; Y55-Q59 HydrophobicContact CE1-CG 4.06Å; Y55-Q59 HydrophobicContact CE2-CG 4.24Å; Y55-Q59 WeakPolarHBondContact O-CB 3.16Å; Y55-Q59 VanDerWaalsContact O-CG 3.23Å; Y55-Q59 WeakPolarHBondContact O-CG 3.47Å; Y55-Q59 PolarHBondContact O-N 2.97Å; V56-Q59 PolarHBondContact O-N 3.41Å; V57-Q59 VanDerWaalsContact C-N 3.35Å; V57-Q59 PolarHBondContact O-N 3.18Å; Q59-S61 VanDerWaalsContact C-N 3.3Å; Q59-S61 PolarHBondContact O-N 3.16Å; Q59-S62 PolarHBondContact O-N 2.88Å; Q59-M63 WeakPolarHBondContact O-CB 3.3Å; Q59-M63 VanDerWaalsContact O-CG 3.24Å; Q59-M63 WeakPolarHBondContact O-CG 3.29Å; Q59-M63 PolarHBondContact O-N 3.19Å
60I81.4Confident72.1Confident96 Ų9690.8 Ų90.849%0.49248%0.48SS..Hα-helixtrans-62.9-39.2172.8-68.8163.2000110.6V56 V57 N58 K64V56-I60 HydrophobicContact CG1-CD1 3.83Å; V56-I60 WeakPolarHBondContact O-CD1 3.2Å; V56-I60 VanDerWaalsContact O-CG1 3.25Å; V56-I60 WeakPolarHBondContact O-CG1 3.31Å; V56-I60 PolarHBondContact O-N 2.83Å; V57-I60 PolarHBondContact O-N 2.97Å; N58-I60 PolarHBondContact O-N 3.05Å; I60-K64 WeakPolarHBondContact O-CB 3.47Å; I60-K64 PolarHBondContact O-N 3.14Å
61S77.1Confident70.6Confident75 Ų7594.3 Ų94.352%0.52449%0.49SS..Hα-helixtrans-63.1-49.8176-161.70000112V57 N58 Q59 M63 K64 E65V57-S61 PolarHBondContact O-N 3.49Å; N58-S61 WeakPolarHBondContact O-CB 3.41Å; N58-S61 PolarHBondContact O-N 2.93Å; N58-S61 VanDerWaalsContact O-N 3.13Å; Q59-S61 VanDerWaalsContact C-N 3.3Å; Q59-S61 PolarHBondContact O-N 3.16Å; S61-M63 PolarHBondContact O-N 3.43Å; S61-K64 WeakPolarHBondContact O-CB 3.45Å; S61-K64 PolarHBondContact O-N 3.06Å; S61-K64 VanDerWaalsContact O-N 3.16Å; S61-E65 PolarHBondContact O-N 3Å; S61-E65 VanDerWaalsContact O-N 3.15Å
62S67.3Low69.1Low53 Ų53100.4 Ų100.437%0.37151%0.506SS..Hα-helixtrans-67.4-33.2178.5-57.60000113N58 Q59 K64 N66N58-S62 PolarHBondContact O-N 3.47Å; N58-S62 PolarHBondContact O-OG 3.38Å; Q59-S62 PolarHBondContact O-N 2.88Å; S62-K64 VanDerWaalsContact C-N 3.33Å; S62-N66 VanDerWaalsContact O-CG 3.28Å; S62-N66 PolarHBondContact O-N 3.48Å; S62-N66 PolarHBondContact O-ND2 3.15Å
63M65.2Low68Low92 Ų92106 Ų10645%0.45354%0.543SS..Hα-helixtrans-68.1-32.7172-74-175.975.400112.3L36 Q59 S61 S67L36-M63 HydrophobicContact CD2-SD 4.35Å; Q59-M63 WeakPolarHBondContact O-CB 3.3Å; Q59-M63 VanDerWaalsContact O-CG 3.24Å; Q59-M63 WeakPolarHBondContact O-CG 3.29Å; Q59-M63 PolarHBondContact O-N 3.19Å; S61-M63 PolarHBondContact O-N 3.43Å; M63-S67 VanDerWaalsContact O-CB 3.28Å; M63-S67 WeakPolarHBondContact O-CB 3.45Å; M63-S67 PolarHBondContact O-N 3.38Å; M63-S67 PolarHBondContact O-OG 3.25Å
64K64.8Low66.7Low135 Ų135108.8 Ų108.859%0.58756%0.562SS**Hα-helixtrans-65-49.9175.1-171.7-174172.5-165.80111I60 S61 S62 N66 S67 E68I60-K64 WeakPolarHBondContact O-CB 3.47Å; I60-K64 PolarHBondContact O-N 3.14Å; S61-K64 WeakPolarHBondContact O-CB 3.45Å; S61-K64 PolarHBondContact O-N 3.06Å; S61-K64 VanDerWaalsContact O-N 3.16Å; S62-K64 VanDerWaalsContact C-N 3.33Å; K64-N66 VanDerWaalsContact C-N 3.33Å; K64-N66 PolarHBondContact O-N 3.47Å; K64-S67 PolarHBondContact O-N 3.48Å; K64-S67 PolarHBondContact O-OG 3.12Å; K64-E68 PolarHBondContact O-N 3.32Å
65E56.9Low65.5Low140 Ų140111.4 Ų111.465%0.65457%0.571SS**Hα-helixtrans-58.4-43.4179.2-169170.9-172.600112.2S61S61-E65 PolarHBondContact O-N 3Å; S61-E65 VanDerWaalsContact O-N 3.15Å
66N51.8Low64.6Low118 Ų118113.7 Ų113.763%0.63159%0.592SS**Hα-helixtrans-75.3-32.1-178.1-65-11.4000113.5S62 K64 T69S62-N66 VanDerWaalsContact O-CG 3.28Å; S62-N66 PolarHBondContact O-N 3.48Å; S62-N66 PolarHBondContact O-ND2 3.15Å; K64-N66 VanDerWaalsContact C-N 3.33Å; K64-N66 PolarHBondContact O-N 3.47Å; N66-T69 PolarHBondContact O-OG1 3.04Å
67S49.4Very low63.3Low80 Ų80115 Ų11556%0.55960%0.598SS**Hα-helixtrans-84.3-10.3-179.360.70000114.6M63 K64 T69M63-S67 VanDerWaalsContact O-CB 3.28Å; M63-S67 WeakPolarHBondContact O-CB 3.45Å; M63-S67 PolarHBondContact O-N 3.38Å; M63-S67 PolarHBondContact O-OG 3.25Å; K64-S67 PolarHBondContact O-N 3.48Å; K64-S67 PolarHBondContact O-OG 3.12Å; S67-T69 PolarHBondContact O-N 3.18Å
68E51.7Low62.3Low150 Ų150119.5 Ų119.570%0.70162%0.615SS**THydrogen-bonded Turntrans-76.8-11.3172.5-157.5143.2-146.200111.9K64K64-E68 PolarHBondContact O-N 3.32Å
69T49.7Very low61.2Low98 Ų98121.8 Ų121.860%0.60163%0.633SS**SBendtrans-88.6135.4167.171.10000111.8N66 S67 K71N66-T69 PolarHBondContact O-OG1 3.04Å; S67-T69 PolarHBondContact O-N 3.18Å; T69-K71 PolarHBondContact O-N 2.93Å
70M50.6Low60Low189 Ų189127.9 Ų127.993%0.93165%0.654SS**SBendtrans74.1-12.1173.8-48.3-162.78700120.2R72M70-R72 VanDerWaalsContact C-N 3.33Å; M70-R72 PolarHBondContact O-N 3.29Å
71K54.2Low58.5Low191 Ų191130.4 Ų130.483%0.8367%0.668SS**  trans-88.273.6160.1-78.2-171.1179.5179.10111T69T69-K71 PolarHBondContact O-N 2.93Å
72R56Low57.5Low223 Ų223134 Ų13484%0.84268%0.68SS**  trans-46.5137.8159.5-92.6-173.3169.2-177-3.1107.9M70 T74M70-R72 VanDerWaalsContact C-N 3.33Å; M70-R72 PolarHBondContact O-N 3.29Å; R72-T74 PolarHBondContact O-N 3.19Å
73P58.6Low57Low125 Ų125140.7 Ų140.781%0.81270%0.703SS**  trans-54.1108.2170-23.232.8000108H75P73-H75 VanDerWaalsContact C-N 3.26Å; P73-H75 PolarHBondContact O-N 3.24Å
74T58.1Low56.9Low126 Ų126140.4 Ų140.477%0.77371%0.706SS**  trans-65.699.6171.3-610000104.9R72 V76R72-T74 PolarHBondContact O-N 3.19Å; T74-V76 PolarHBondContact O-N 2.97Å
75H63.4Low56.2Low150 Ų150138.9 Ų138.969%0.69471%0.71SS**  trans-62.892.4171.6175-79.2000106.6P73 N77P73-H75 VanDerWaalsContact C-N 3.26Å; P73-H75 PolarHBondContact O-N 3.24Å; H75-N77 VanDerWaalsContact C-N 3.25Å; H75-N77 PolarHBondContact O-N 3.47Å
76V63.8Low56.1Low109 Ų109139.8 Ų139.866%0.66172%0.718SS**  trans-6496.7173.7-179.30000105.4T74 M78T74-V76 PolarHBondContact O-N 2.97Å; V76-M78 VanDerWaalsContact C-N 3.28Å; V76-M78 PolarHBondContact O-N 3.45Å
77N56.3Low56.2Low43 Ų43142.8 Ų142.823%0.2372%0.721CS.*  trans-70.692.8178.5-175.1-39.8000107.1H75 T79 R80H75-N77 VanDerWaalsContact C-N 3.25Å; H75-N77 PolarHBondContact O-N 3.47Å; N77-T79 PolarHBondContact O-N 3.33Å; N77-T79 WeakPolarHBondContact OD1-CA 3.3Å; N77-T79 PolarHBondContact OD1-N 2.87Å; N77-T79 PolarHBondContact OD1-OG1 3.44Å; N77-R80 HydrophobicContact CB-CB 4.12Å; N77-R80 HydrophobicContact CB-CG 4.02Å; N77-R80 PolarHBondContact ND2-NE 2.92Å; N77-R80 PolarHBondContact O-N 3.28Å; N77-R80 PolarHBondContact OD1-N 2.89Å
78M66.2Low56.6Low182 Ų182148.4 Ų148.490%0.89774%0.735SS**THydrogen-bonded Turntrans-62.5-5.7178.2-66.9-169.8-76.500113.1V76V76-M78 VanDerWaalsContact C-N 3.28Å; V76-M78 PolarHBondContact O-N 3.45Å
79T62.7Low57Low131 Ų131147.1 Ų147.180%0.80473%0.729SS**THydrogen-bonded Turntrans-109.57.8176.345.40000114.1N77N77-T79 PolarHBondContact O-N 3.33Å; N77-T79 WeakPolarHBondContact OD1-CA 3.3Å; N77-T79 PolarHBondContact OD1-N 2.87Å; N77-T79 PolarHBondContact OD1-OG1 3.44Å
80R54.8Low57.5Low180 Ų180149.4 Ų149.468%0.67974%0.738SS**SBendtrans-96.5101.4172.8-87.8179.2-168.6170.62.3112.3N77 L82N77-R80 HydrophobicContact CB-CB 4.12Å; N77-R80 HydrophobicContact CB-CG 4.02Å; N77-R80 PolarHBondContact ND2-NE 2.92Å; N77-R80 PolarHBondContact O-N 3.28Å; N77-R80 PolarHBondContact OD1-N 2.89Å; R80-L82 PolarHBondContact O-N 3.46Å
81D49.8Very low58.2Low148 Ų148148 Ų14879%0.79173%0.733SS**  trans48.918.6145.1-55.9-47.9000119.6K83D81-K83 PolarHBondContact O-N 3.48Å
82L56.3Low59.1Low150 Ų150147.6 Ų147.679%0.78573%0.734SS**  trans-64.583153.4-82.9172000108.5R80 V84R80-L82 PolarHBondContact O-N 3.46Å; L82-V84 HydrophobicContact CB-CG2 4.22Å; L82-V84 HydrophobicContact CD2-CG2 4.14Å; L82-V84 PolarHBondContact O-N 3.13Å
83K57.4Low60.1Low195 Ų195144 Ų14485%0.84873%0.731SS**  trans-64.850.6150-70.3-178.9179.5172.10109.9D81 P85D81-K83 PolarHBondContact O-N 3.48Å; K83-P85 VanDerWaalsContact O-CD 3.28Å; K83-P85 WeakPolarHBondContact O-CD 3.36Å
84V61.5Low61.1Low86 Ų86143.6 Ų143.652%0.52173%0.728SS.*  trans-56.5120.6146.1174.40000103.8L82 L86L82-V84 HydrophobicContact CB-CG2 4.22Å; L82-V84 HydrophobicContact CD2-CG2 4.14Å; L82-V84 PolarHBondContact O-N 3.13Å; V84-L86 PolarHBondContact O-N 2.95Å
85P51.7Low61.9Low103 Ų103145.3 Ų145.367%0.66973%0.73SS**  trans-66.791.816928.9-32.1000106.3K83 R87K83-P85 VanDerWaalsContact O-CD 3.28Å; K83-P85 WeakPolarHBondContact O-CD 3.36Å; P85-R87 HydrophobicContact CB-CG 4.32Å; P85-R87 PolarHBondContact O-N 3.4Å
86L53.9Low62.4Low158 Ų158143 Ų14383%0.82773%0.73SS**  trans-61.369.1150.2-71.4174.1000106.5V84 K88V84-L86 PolarHBondContact O-N 2.95Å; L86-K88 PolarHBondContact O-N 2.99Å; L86-K88 VanDerWaalsContact O-N 3.11Å
87R53.9Low62.9Low181 Ų181143.3 Ų143.368%0.68373%0.734SS**  trans-51.6121.8155-68.1-170179.7-177.10.7103.7P85 H89P85-R87 HydrophobicContact CB-CG 4.32Å; P85-R87 PolarHBondContact O-N 3.4Å; R87-H89 WeakPolarHBondContact CD-NE2 3.44Å; R87-H89 PolarHBondContact NH1-NE2 2.89Å; R87-H89 PolarHBondContact O-N 3.47Å
88K58Low63.3Low199 Ų199149.1 Ų149.187%0.86576%0.76SS**  trans-67.966.8165.3-64.3176.6177.6-178.90107.5L86L86-K88 PolarHBondContact O-N 2.99Å; L86-K88 VanDerWaalsContact O-N 3.11Å
89H60.6Low63.1Low122 Ų122146 Ų14657%0.56576%0.755SS**  trans-79.8110.7153.1-65.7-33.7000103R87 L91R87-H89 WeakPolarHBondContact CD-NE2 3.44Å; R87-H89 PolarHBondContact NH1-NE2 2.89Å; R87-H89 PolarHBondContact O-N 3.47Å; H89-L91 PolarHBondContact O-N 2.93Å
90D60.7Low63.5Low146 Ų146145.6 Ų145.678%0.78175%0.752SS**  trans-52.2113.7168.4-59.9-59.6000106.2E92D90-E92 PolarHBondContact O-N 3.33Å
91L65.4Low64.3Low160 Ų160142.3 Ų142.384%0.83875%0.754SS**  trans-71.185.4174.9-77.3167.1000105.7H89 L93H89-L91 PolarHBondContact O-N 2.93Å; L91-L93 PolarHBondContact O-N 3.46Å
92E72.9Confident65.1Low183 Ų183139.5 Ų139.586%0.85575%0.746SS**  trans-57.591.7161.8-76-165.2145.400106.8D90D90-E92 PolarHBondContact O-N 3.33Å
93L76.9Confident65.6Low147 Ų147142 Ų14277%0.7775%0.75SS**PPolyproline II helixtrans-54.4128.7166.3-66.8173.9000105.9L91 M95L91-L93 PolarHBondContact O-N 3.46Å; L93-M95 PolarHBondContact O-N 2.93Å
94P78.2Confident66Low117 Ų117139.5 Ų139.576%0.7675%0.745SS**PPolyproline II helixtrans-54.5124.2173.723.8-32.7000106.9S96P94-S96 PolarHBondContact O-N 3.43Å; P94-S96 VanDerWaalsContact O-N 3.15Å
95M75Confident65.7Low162 Ų162139.3 Ų139.380%0.79875%0.747SS**PPolyproline II helixtrans-49.9129.9178.6-70.9-155.5-5800108L93 P97L93-M95 PolarHBondContact O-N 2.93Å; M95-P97 VanDerWaalsContact O-N 3.14Å
96S74.1Confident66.3Low100 Ų100141.6 Ų141.670%0.69975%0.752SS**PPolyproline II helixtrans-49.6127.6175.6-55.20000107.7P94 H98P94-S96 PolarHBondContact O-N 3.43Å; P94-S96 VanDerWaalsContact O-N 3.15Å; S96-H98 PolarHBondContact O-N 3.45Å; S96-H98 VanDerWaalsContact O-N 3.1Å
97P73.9Confident66.6Low116 Ų116140.6 Ų140.675%0.75375%0.748SS**PPolyproline II helixtrans-52.6126.7-175.321.6-33000107.6M95 C99M95-P97 VanDerWaalsContact O-N 3.14Å; P97-C99 PolarHBondContact O-N 3.19Å
98H65.4Low66.7Low165 Ų165139.5 Ų139.576%0.76476%0.755SS**  trans-44.4116.3-172.6-84.7-63.4000109.2S96 V100S96-H98 PolarHBondContact O-N 3.45Å; S96-H98 VanDerWaalsContact O-N 3.1Å; H98-V100 PolarHBondContact O-N 3.11Å
99C63.1Low66.6Low117 Ų117138.4 Ų138.479%0.79176%0.755SS**  trans-65.783.5177-64.10000107.9P97 P101P97-C99 PolarHBondContact O-N 3.19Å; C99-P101 WeakPolarHBondContact O-CD 3.5Å; C99-P101 VanDerWaalsContact O-N 3.11Å
100V71Confident66.3Low123 Ų123141.5 Ų141.575%0.74577%0.77SS**  trans-58.9113.1165.51780000104.7H98 S102H98-V100 PolarHBondContact O-N 3.11Å; V100-S102 PolarHBondContact O-N 3.37Å
101P70.7Confident65.8Low111 Ų111142 Ų14272%0.72177%0.773SS**  trans-60.9117.4178-1932.5000106.5C99 K103C99-P101 WeakPolarHBondContact O-CD 3.5Å; C99-P101 VanDerWaalsContact O-N 3.11Å; P101-K103 PolarHBondContact O-N 3.33Å
102S67.4Low64.9Low89 Ų89139.5 Ų139.562%0.62277%0.768SS**  trans-59125.3170.244.60000106.6V100 L104V100-S102 PolarHBondContact O-N 3.37Å; S102-L104 PolarHBondContact O-N 2.94Å
103K65.7Low63.5Low202 Ų202135.9 Ų135.988%0.87876%0.758SS**  trans-73.241170-67.5-166.4175.6-170.10111.3P101 C105P101-K103 PolarHBondContact O-N 3.33Å; K103-C105 PolarHBondContact O-N 3.23Å
104L65.4Low62Low142 Ų142133.8 Ų133.874%0.74375%0.754SS**  trans-78.271.3161.8-68.6173.2000106.4S102 I106S102-L104 PolarHBondContact O-N 2.94Å; L104-I106 PolarHBondContact O-N 3.26Å
105C56.6Low60.4Low82 Ų82137.7 Ų137.755%0.55476%0.755SS**  trans-55.7123.6159.543.60000107.2K103 D107K103-C105 PolarHBondContact O-N 3.23Å; C105-D107 HydrophobicContact CB-CB 4.17Å; C105-D107 WeakPolarHBondContact CB-OD2 3.48Å; C105-D107 PolarHBondContact O-N 3.49Å
106I63.4Low58.9Low152 Ų152137.8 Ų137.878%0.77975%0.753SS**  trans-78.85.7171.6-64.2172.2000109.6L104 D108L104-I106 PolarHBondContact O-N 3.26Å; I106-D108 PolarHBondContact O-N 3.03Å
107D60.8Low57.4Low137 Ų137142.2 Ų142.273%0.73376%0.755SS**THydrogen-bonded Turntrans-73.139.8177.7-46.9-44.5000113.4C105 M109C105-D107 HydrophobicContact CB-CB 4.17Å; C105-D107 WeakPolarHBondContact CB-OD2 3.48Å; C105-D107 PolarHBondContact O-N 3.49Å; D107-M109 VanDerWaalsContact C-N 3.27Å
108D55.2Low55.9Low157 Ų157143.1 Ų143.184%0.8475%0.752SS**THydrogen-bonded Turntrans-917.4155.6-84-27.2000110.7I106 E110I106-D108 PolarHBondContact O-N 3.03Å; D108-E110 PolarHBondContact O-N 2.81Å; D108-E110 VanDerWaalsContact O-N 3.09Å
109M56.1Low54.7Low176 Ų176146.1 Ų146.187%0.86776%0.758SS**  trans-83.935.8-178.9-146.7-167.878.900113.6D107D107-M109 VanDerWaalsContact C-N 3.27Å
110E54.4Low54Low187 Ų187144.5 Ų144.587%0.87475%0.748SS**  trans-139.137.9-176.8-121.8176.9-146.800114D108D108-E110 PolarHBondContact O-N 2.81Å; D108-E110 VanDerWaalsContact O-N 3.09Å
111D51.2Low52.7Low158 Ų158147.1 Ų147.185%0.84575%0.749SS**  trans-110.981.4156.7-135.1-13.1000109.9V113D111-V113 PolarHBondContact O-N 3.12Å; D111-V113 VanDerWaalsContact O-N 3.11Å
112S46.2Very low51.4Low106 Ų106151.4 Ų151.474%0.74176%0.76SS**  trans-71.6100-174.659.20000112
113V42.5Very low50.1Low107 Ų107154.2 Ų154.265%0.64876%0.763SS**  trans-112.697.4153.6-176.10000108.6D111 Y115D111-V113 PolarHBondContact O-N 3.12Å; D111-V113 VanDerWaalsContact O-N 3.11Å; V113-Y115 HydrophobicContact CG1-CD2 3.99Å; V113-Y115 HydrophobicContact CG1-CE2 4.11Å; V113-Y115 PolarHBondContact O-N 3.31Å
114P46.7Very low49.2Very low103 Ų103151.6 Ų151.667%0.66976%0.764SS**  trans-66.1105.5165.228.2-31.2000107.4Q116P114-Q116 PolarHBondContact O-N 3.39Å
115Y43.9Very low47.9Very low200 Ų200148.2 Ų148.278%0.78476%0.764SS**  trans-71.263.4160.5-99.9-78.8000109.5V113 R117V113-Y115 HydrophobicContact CG1-CD2 3.99Å; V113-Y115 HydrophobicContact CG1-CE2 4.11Å; V113-Y115 PolarHBondContact O-N 3.31Å; Y115-R117 PolarHBondContact O-N 3.42Å
116Q44.3Very low47Very low164 Ų164150.6 Ų150.677%0.76678%0.778SS**  trans-68.676.8161.6-169172.430.800106.7P114 I118P114-Q116 PolarHBondContact O-N 3.39Å; Q116-I118 PolarHBondContact O-N 2.87Å
117R42.1Very low46.2Very low193 Ų193150.3 Ų150.373%0.72878%0.783SS**  trans-66106.5172.4-177.5171-69.2178.11.1107.2Y115 Y119Y115-R117 PolarHBondContact O-N 3.42Å; R117-Y119 PolarHBondContact O-N 3.34Å
118I42.1Very low45.4Very low135 Ų135151.9 Ų151.969%0.69279%0.786SS**  trans-57.399.1-175.9-59.6162.8000109.6Q116 S120Q116-I118 PolarHBondContact O-N 2.87Å; I118-S120 WeakPolarHBondContact CG2-OG 3.25Å
119Y41Very low44.7Very low227 Ų227149.9 Ų149.989%0.8979%0.785SS**  trans-94.497.9150.7-83.5-85.8000106.5R117R117-Y119 PolarHBondContact O-N 3.34Å
120S47.2Very low44.1Very low84 Ų84146.2 Ų146.259%0.58778%0.776SS**  trans-144.1129.4175.270.40000111.6I118I118-S120 WeakPolarHBondContact CG2-OG 3.25Å
121K44.4Very low43.4Very low177 Ų177146.4 Ų146.477%0.7778%0.777SS**  trans65.493.5165.4-57.9-171171.8-158.20116.4
122E42.6Very low43.2Very low202 Ų202145.9 Ų145.994%0.94477%0.774SS**  -111.9147.5113.4-161.3156.4-155.200108.1
123E41.1Very low43.1Very low148 Ų148148.2 Ų148.269%0.69278%0.775SS**  trans-129.1115.3-152.7174.4-178.7147.200110.3
124T45.6Very low43.2Very low146 Ų146151.3 Ų151.390%0.89678%0.78SS**  trans-163.3114.8161.7-4.80000114.1
125G39.1Very low42.9Very low72 Ų72151.1 Ų151.174%0.74278%0.781SS**  trans76.1104.5145.300000120.1
126P38.2Very low42.8Very low131 Ų131152.9 Ų152.985%0.85179%0.788SS**  trans-91.6141.9167.235.3-30.9000112.6
127V45.3Very low42.5Very low146 Ų146156.2 Ų156.289%0.88579%0.793SS**  trans-129.2147.7164.3178.60000109.7
128Q43.8Very low42.5Very low171 Ų171154 Ų15480%0.79979%0.793SS**  trans-88.3166.8-155.8-60.3158-51.300115.1
129S41.4Very low42.3Very low115 Ų115155.6 Ų155.680%0.80480%0.795SS**  trans70.6149.214766.60000118.6
130S42.3Very low42.2Very low98 Ų98152.1 Ų152.169%0.68579%0.792SS**  cis-165.2152.2-14.2440000110
131Q40.4Very low42Very low191 Ų191157 Ų15789%0.89381%0.806SS**  trans27.5120.4151.7-66.7174.2-34.100120
132D48.2Very low41.8Very low148 Ų148154.9 Ų154.979%0.79181%0.808SS**  -142.8150.9129-158.52.1000110.9
133M43.3Very low42Very low154 Ų154148.9 Ų148.976%0.75980%0.8SS**  trans-103.4147.9-177.8-72.9-161.980.100112.3
134K45.1Very low41.9Very low173 Ų173149.2 Ų149.275%0.75281%0.807SS**  trans168.194.1141.1-86.1139.1-154.4153.40107.6
135S39.3Very low41.6Very low98 Ų98148.3 Ų148.369%0.68581%0.805SS**  66.384.675.4-173.30000115
136Y42.5Very low41.4Very low237 Ų237150.1 Ų150.193%0.92981%0.806SS**  trans-135.3111144.5-66.8-78.5000108.9
137R38.5Very low41.7Very low234 Ų234154.7 Ų154.788%0.88381%0.808SS**  trans-141.7178.4172.5-160.6-163.8-84.4-113.92.6106.2
138M41.9Very low41.7Very low146 Ų146154.8 Ų154.872%0.71980%0.802SS**  trans88.9136.9177.3-44.1-163.9-67.200112.6
139F37.4Very low41.7Very low170 Ų170151.6 Ų151.675%0.74680%0.796SS**  cis-132.2150.89.9-80.9-84.5000113.5
140N38.9Very low42.4Very low153 Ų153151.7 Ų151.782%0.81879%0.794SS**  trans-103140.4157.4-68.3-24.1000108.1
141E43.6Very low42.1Very low188 Ų188152.4 Ų152.488%0.87980%0.799SS**  trans-128.199.3156-71-173.7127.200106.4
142T39.8Very low41.9Very low132 Ų132152.5 Ų152.581%0.8180%0.797SS**  65.479.283-52.10000112.4
143G47.3Very low41.7Very low76 Ų76150.2 Ų150.278%0.78479%0.79SS**  trans-134.1120.8165.400000109.6
144N38.1Very low41.7Very low155 Ų155150 Ų15083%0.82979%0.787SS**  trans-71.8130.6-169-63.5-38.3000113.3
145C39.1Very low41.4Very low127 Ų127149.6 Ų149.686%0.85879%0.788SS**  trans-159.8116.4146.8-103.90000111.1
146S36Very low41.4Very low110 Ų110153.4 Ų153.477%0.76980%0.8SS**  trans-89.7126.5172.654.10000110.6
147Y43Very low41.1Very low227 Ų227153 Ų15389%0.8980%0.797SS**  trans-129.5122.5160.3-106.2-91.4000110.3
148I45.3Very low41.1Very low147 Ų147146.9 Ų146.975%0.75479%0.789SS**  trans-85.2134.4-179.3-62.9168.4000108
149P44.8Very low40.8Very low105 Ų105146.2 Ų146.268%0.68279%0.788SS**  trans-71.2131.9173.129.5-33.2000110.1S151P149-S151 PolarHBondContact O-N 2.97Å
150P54.9Low41.3Very low116 Ų116150 Ų15075%0.75380%0.798SS**  trans-78.2103.5179.730.5-33000111
151S37.3Very low41.3Very low113 Ų113151.3 Ų151.379%0.7980%0.799SS**  trans-85.6121.9159.339.50000109.8P149P149-S151 PolarHBondContact O-N 2.97Å
152F35.2Very low41.3Very low193 Ų193150.2 Ų150.285%0.84680%0.797SS**  trans-124.7134.7166.1-86.2-78.2000109.5
153P44.9Very low41.2Very low100 Ų100155.5 Ų155.565%0.64980%0.802SS**  trans-107.8-169.9-167.643.4-38.1000113.9
154E42.9Very low40.8Very low151 Ų151157.2 Ų157.271%0.70680%0.802SS**  trans76.7110.2156.5-108.960.1-110.400119.9
155E37.9Very low41.1Very low164 Ų164158 Ų15877%0.76680%0.801SS**  trans39.2123134.5-59.5-166.3128.300121.2
156L39.7Very low40.8Very low178 Ų178160.3 Ų160.393%0.93280%0.799SS**  -154.7134.4114-106.1175.1000111.5
157R37.5Very low41Very low229 Ų229160.8 Ų160.886%0.86480%0.802SS**  trans-86.4158.7180-75179167.8171.9-2.7112.6
158S37.6Very low40.9Very low104 Ų104155.7 Ų155.773%0.72780%0.795SS**  trans108.5116.4130.8-147.70000119
159N35.3Very low40.7Very low132 Ų132154.2 Ų154.271%0.70680%0.795SS**  trans61.8106.5140.9-107.4-39.3000120.9
160R48.5Very low40.4Very low249 Ų249160.8 Ų160.894%0.9481%0.806SS**  -158.9131.5118.1-109.2169.7-122.6-161.20.1111.7
161H39.2Very low39.8Very low182 Ų182162.8 Ų162.884%0.84381%0.809SS**  trans-62.9130.7172.5-80.1-34.9000112
162I43.4Very low40Very low165 Ų165160.4 Ų160.485%0.84680%0.802SS**  trans-133.3121.4143.7-60.2-176.4000108.2
163R36.6Very low40.5Very low242 Ų242157.2 Ų157.291%0.91380%0.8SS**  trans-93108.9176.6-179.7-174.9-171.5-179.24.1108.5
164S38.7Very low40.1Very low112 Ų112156.8 Ų156.878%0.78380%0.8SS**  trans-116.6149.9166.7-166.50000110.2
165Q44.5Very low39.9Very low172 Ų172156 Ų15680%0.80481%0.808SS**  trans-88151-158.2-66.3-173.1-7.700114.5
166H33.8Very low39.9Very low175 Ų175156 Ų15681%0.8181%0.808SS**  trans-54.5143174.4-44.3-83.8000112.5
167S39.4Very low39.7Very low121 Ų121156.1 Ų156.185%0.84680%0.804SS**  trans-143.876.5159.4-77.10000109
168T41Very low39.7Very low119 Ų119155.2 Ų155.273%0.7381%0.807SS**  trans-63.1131.3171.7-49.30000109.6R170T168-R170 PolarHBondContact O-N 3.04Å
169P42.4Very low39.7Very low117 Ų117156.6 Ų156.676%0.7681%0.81SS**  trans-69.1104.3173.628-32.6000109.3I171P169-I171 PolarHBondContact O-N 3.15Å
170R38.2Very low39.4Very low243 Ų243160.8 Ų160.892%0.91782%0.818SS**  trans-78.3110.5178.8-160.8176.7-161.7171.36109.9T168 G172T168-R170 PolarHBondContact O-N 3.04Å; R170-G172 PolarHBondContact O-N 2.94Å
171I42.3Very low38.9Very low158 Ų158158.4 Ų158.481%0.8182%0.817SS**PPolyproline II helixtrans-46.1129.5170-62.5162.8000109.8P169P169-I171 PolarHBondContact O-N 3.15Å
172G42.1Very low38.7Very low62 Ų62155.5 Ų155.564%0.63981%0.808SS**PPolyproline II helixtrans-71.7134174.300000110.9R170R170-G172 PolarHBondContact O-N 2.94Å
173P45.7Very low38.9Very low126 Ų126153.5 Ų153.582%0.81881%0.806SS**PPolyproline II helixtrans-71.6136.8179.429.4-33.7000111.1
174S36.2Very low39Very low92 Ų92149.9 Ų149.964%0.64380%0.799SS**PPolyproline II helixtrans-65.7144.6166.945.90000110.8Q176S174-Q176 PolarHBondContact O-N 3.21Å
175P37.8Very low39Very low133 Ų133150.7 Ų150.786%0.86480%0.804SS**  trans-79100.4171.230.8-31.3000109.7
176Q37.4Very low38.6Very low165 Ų165146.2 Ų146.277%0.77180%0.804SS**  trans-115.9148.4166.1-87.9-177.1-18.300111.7S174S174-Q176 PolarHBondContact O-N 3.21Å
177Q35.5Very low38.7Very low180 Ų180146.3 Ų146.384%0.84181%0.805SS**  trans-33.6133.3-174.1-67.8155.6-48.600116
178F37.7Very low38.5Very low211 Ų211149.9 Ų149.993%0.92581%0.806SS**  trans-108.2142.5152.7-102.6-89.3000110.8
179V37.5Very low38.4Very low132 Ų132149.1 Ų149.180%0.881%0.805SS**  trans-92.3156.2-171.1174.80000110.4
180Y30.4Very low38.1Very low221 Ų221151.7 Ų151.787%0.86781%0.813SS**  trans-59137.9172.1-101.2-107.7000112.5
181E38.1Very low38.1Very low198 Ų198143.5 Ų143.593%0.92580%0.804SS**  trans-150147.9147-141.1167-156.600110.7
182N33.8Very low37.9Very low122 Ų122145.8 Ų145.865%0.65281%0.808SS**  trans-132.7119.1-160.5-175.924.3000110.6
183P48.1Very low37.4Very low123 Ų123152.6 Ų152.680%0.79982%0.82SS**  trans-94.5115.5177.721-7.3000112.5
184H39Very low37.5Very low166 Ų166152.3 Ų152.377%0.76982%0.818SS**  trans-78.2165.3166.4-84.4-84.1000112.6
185S38.5Very low37.6Very low128 Ų128157.3 Ų157.390%0.89583%0.832SS**  trans83.6132.1161.779.50000117.9
186G36.5Very low37.7Very low78 Ų78156 Ų15680%0.80483%0.826SS**  trans141.567.6-176.800000113.1
187Q34.7Very low37.8Very low177 Ų177155.8 Ų155.883%0.82783%0.829SS**  trans-61145170.2-67.4172.8-14.400110.6
188F36.5Very low37.9Very low197 Ų197157.4 Ų157.486%0.86483%0.833SS**  -168.4114.4127.1-91.1-58.9000112.7
189S38.8Very low37.9Very low102 Ų102153.1 Ų153.171%0.71383%0.83SS**  trans38.2104.6148.6590000122.6
190N36.2Very low38Very low172 Ų172156.8 Ų156.892%0.9284%0.835SS**  64.5103.8112.8-155.714.3000119.9
191G38.1Very low38.3Very low71 Ų71154.5 Ų154.573%0.73284%0.837SS**  trans174.368.8170.300000118.3
192K37.6Very low38.2Very low205 Ų205152.8 Ų152.889%0.89183%0.834SS**  trans43.7108.3162.4-65-168176.2-173.10119.8
193F31.3Very low38.4Very low205 Ų205155.9 Ų155.990%0.89984%0.842SS**  trans-86152.2157.8-71-90.1000112.3
194P47.7Very low37.8Very low121 Ų121157.7 Ų157.779%0.78684%0.839SS**  trans-106.9114.9148.132.6-22.3000110.6
195E37.5Very low37.7Very low197 Ų197158.2 Ų158.292%0.92184%0.842SS**  trans-70.7128.5169-66178.2140.600110.5
196S41.7Very low37.6Very low106 Ų106160 Ų16074%0.74184%0.836SS**  trans-153.1155.6158.267.40000110
197L37.9Very low37.7Very low160 Ų160161.1 Ų161.184%0.83883%0.827SS**SBendtrans95.710.8178.1-52.5179.6000120.1
198F37.7Very low37.8Very low213 Ų213161.7 Ų161.793%0.93483%0.827SS**  trans-137.772164.7-86-79.6000114.5
199S37.5Very low37.8Very low121 Ų121158 Ų15885%0.84683%0.825SS**  trans-16381.716252.80000113.1
200K40.5Very low37.5Very low209 Ų209158.7 Ų158.791%0.90983%0.83SS**  trans-143.635.3169.6-144.6175-175179.40115.1
201L36.2Very low37.5Very low173 Ų173156 Ų15691%0.90683%0.825SS**SBendtrans-138.3144.1162.7-78.6173.8000109.4
202N35.7Very low37.3Very low162 Ų162161.3 Ų161.387%0.86683%0.831SS**  trans68100.7174.6-116.8-6000118.1
203K38Very low37.4Very low188 Ų188158.5 Ų158.582%0.81783%0.831SS**  trans-140.1103.9149.8-87.9-158.7171.8-1780111.8
204H36.9Very low37.6Very low160 Ų160154.3 Ų154.374%0.74182%0.822SS**  trans65.3109.6143.2-56.7-67.4000121.1
205Q36.4Very low37.1Very low177 Ų177153 Ų15383%0.82782%0.821SS**  trans-52149.1134.7-68.8169.5-46.200110.6
206H36.5Very low37.2Very low166 Ų166152.1 Ų152.177%0.76982%0.817SS**  155.5167.6105.5-137.7-87.8000110.8
207V38.3Very low36.6Very low101 Ų101156.9 Ų156.961%0.61283%0.825SS**  trans89.794.2160.3-1670000119.2
208F36.4Very low36.5Very low190 Ų190158.3 Ų158.383%0.83383%0.827SS**  trans57.6149.1143.3-49.7-45.8000120.6
209S36.8Very low36.5Very low119 Ų119151.5 Ų151.583%0.83281%0.811SS**  cis-146.3163.99.2-76.40000111.6
210S32.4Very low36.6Very low116 Ų116150.7 Ų150.781%0.81180%0.802SS**  trans-96.4151.2176.956.50000114.9
211S37.2Very low36.4Very low116 Ų116149.9 Ų149.981%0.81180%0.795SS**  trans-156.6119.5146.255.90000111.5
212Q33.8Very low36.5Very low183 Ų183151 Ų15186%0.85579%0.792SS**  trans-80151.9167.6-69.5171.4-23.200110.2
213T39.2Very low36.4Very low146 Ų146153.9 Ų153.990%0.89679%0.791SS**  trans-138.9127156.2-35.90000110
214T34.6Very low36.4Very low117 Ų117151.1 Ų151.172%0.71879%0.79SS**  trans-100.6140-176.5-550000110.9
215A37Very low36.3Very low92 Ų92150.3 Ų150.376%0.7679%0.791SS**  trans-166.199154.400000106.3
216E39.6Very low36.4Very low179 Ų179148 Ų14884%0.83680%0.795SS**  84.6151.579.1-76.1-167.1171.400114.1
217F29.6Very low36.2Very low206 Ų206145.4 Ų145.490%0.90480%0.795SS**  trans-97.2-175.1-153.3-92.4-107.5000114
218E36.2Very low36.3Very low191 Ų191149.5 Ų149.589%0.89381%0.807SS**  trans84.4140.7168.3-48.8-169.3149.800115.7
219A38.4Very low36.2Very low70 Ų70146.9 Ų146.958%0.57981%0.807SS**  cis-146.1160.24.300000112.2Y221A219-Y221 HydrophobicContact CB-CE2 4.39Å
220P38.6Very low36.4Very low103 Ų103144.8 Ų144.867%0.66980%0.804SS**  trans-92-152.2173.934.1-29.6000113.6
221Y35.8Very low36.6Very low192 Ų192145.4 Ų145.475%0.75380%0.798SS**  trans83.8132.8169.322.4-91.7000124.3A219A219-Y221 HydrophobicContact CB-CE2 4.39Å
222K38.3Very low36.5Very low196 Ų196148.7 Ų148.785%0.85280%0.798SS**  trans89.181.6147.2-74.9177.6179178.50122.5
223R34.1Very low36.8Very low224 Ų224147.1 Ų147.185%0.84580%0.795SS**  21.2122.8109.1-179.1-165.6-65.8175.4-1.1118.2
224T38.8Very low36.5Very low129 Ų129145.9 Ų145.979%0.79179%0.788SS**  -163.2119.2125.329.30000113.7
225N34.6Very low36.6Very low143 Ų143150.3 Ų150.377%0.76580%0.797SS**  trans14.9129140.6-41.2-11.8000120.7
226S37.9Very low36.2Very low129 Ų129157.3 Ų157.390%0.90280%0.804SS**  -169.1166.4106.961.20000111.1
227S32.4Very low35.9Very low111 Ų111154.6 Ų154.678%0.77681%0.805SS**  trans-132.9137.1-167.353.30000111.6
228E40.5Very low36Very low187 Ų187153.3 Ų153.387%0.87480%0.803SS**  trans-158.3106.7151.1-122.5168.1171.900113.5
229T34.8Very low36.2Very low136 Ų136152.4 Ų152.483%0.83480%0.803SS**  21.7127.5127.4-42.70000119.5
230G41.1Very low36.1Very low74 Ų74158 Ų15876%0.76382%0.82SS**  trans172.182.5167.400000113.2
231D37.3Very low35.9Very low129 Ų129156.3 Ų156.369%0.6982%0.82SS**  trans-81.3164.1-173.3-65.9-53.2000115.2
232F34.6Very low36Very low185 Ų185155.6 Ų155.681%0.81182%0.824SS**  trans94.2128.3144.8-66.8-52.2000122.7
233L39.9Very low36Very low151 Ų151152.9 Ų152.979%0.79182%0.819SS**  trans91.996.7148.8-65.8161.5000121
234T32.9Very low35.9Very low120 Ų120148 Ų14874%0.73682%0.817SS**  58.297114.1-50.90000118.9
235K36.2Very low35.8Very low209 Ų209153.4 Ų153.491%0.90982%0.823SS**  -160.8134.7125.6-114.5164.4-174.71730114
236R28.5Very low35.6Very low240 Ų240151.4 Ų151.491%0.90682%0.82SS**  trans-78.9124173.5174.7-173.5-170.9167.43.1109.9
237S33.8Very low35.7Very low122 Ų122153.1 Ų153.185%0.85382%0.819SS**  trans-155.2143.1156.9-93.90000111.4
238M30.7Very low35.7Very low179 Ų179157.5 Ų157.588%0.88282%0.82SS**  trans-75.6135.5-177.7-57.9156.7165.600111.5
239I41.4Very low35.5Very low172 Ų172155 Ų15588%0.88281%0.808SS**  trans-138.6139.3148.3-60.1-174000108.2
240M36.8Very low35.3Very low188 Ų188160.3 Ų160.393%0.92681%0.813SS**  trans-80148.6179.2-59.6-95.1-73.200110.6
241G34.4Very low35Very low66 Ų66166.7 Ų166.768%0.6881%0.814SS**  trans172.9106.4172.400000113.6
242E37.2Very low35Very low177 Ų177168.5 Ų168.583%0.82782%0.818SS**  trans-5154.6169.5-74.5100.2170.200124.5
243D39Very low35.3Very low140 Ų140164.2 Ų164.275%0.74981%0.809SS**  trans75.189.6147.2-67.3-15000123.1
244C31.1Very low34.9Very low121 Ų121165 Ų16582%0.81881%0.814SS**  50.586.8111.9-59.10000118.5
245R36.5Very low35.1Very low243 Ų243167.7 Ų167.792%0.91782%0.815SS**  trans-144.1122.2144.7-159.8167.2-71.7-144.40.4112.2
246S31.4Very low34.9Very low100 Ų100162.9 Ų162.970%0.69982%0.815SS**  trans-75.6140.1177.848.60000111.8
247L38.3Very low35.1Very low166 Ų166159.3 Ų159.387%0.86981%0.81SS**  trans-131.2117.2154.8-78177.1000108.8E249L247-E249 PolarHBondContact O-N 3.33Å
248Y32.9Very low35.1Very low203 Ų203162.5 Ų162.580%0.79681%0.812SS**  trans-68.1109.1162.9-86.3-105.4000107.8
249E36.3Very low35.4Very low134 Ų134162.4 Ų162.463%0.62681%0.807SS**  trans-128.2115.7167.6-141.2-169.8-12600111.9L247 R251L247-E249 PolarHBondContact O-N 3.33Å; E249-R251 PolarHBondContact O-N 2.88Å; E249-R251 VanDerWaalsContact O-N 3.14Å; E249-R251 IonicContact OE1-NH2 3.83Å; E249-R251 IonicContact OE2-CZ 3.15Å; E249-R251 IonicContact OE2-NE 2.79Å; E249-R251 PolarHBondContact OE2-NE 3.29Å; E249-R251 IonicContact OE2-NH2 2.72Å; E249-R251 PolarHBondContact OE2-NH2 3.38Å
250R31Very low35Very low248 Ų248159.7 Ų159.794%0.93680%0.8SS**  trans-57.5104175.9171.4-157.5-78.8-177.4-8.4110.9
251R33.9Very low34.6Very low207 Ų207158.5 Ų158.578%0.78180%0.796SS**  trans-136.4145.6166.4-63.6-168.5-168.7-142.82.2113.8E249E249-R251 PolarHBondContact O-N 2.88Å; E249-R251 VanDerWaalsContact O-N 3.14Å; E249-R251 IonicContact OE1-NH2 3.83Å; E249-R251 IonicContact OE2-CZ 3.15Å; E249-R251 IonicContact OE2-NE 2.79Å; E249-R251 PolarHBondContact OE2-NE 3.29Å; E249-R251 IonicContact OE2-NH2 2.72Å; E249-R251 PolarHBondContact OE2-NH2 3.38Å
252Q38.5Very low34.5Very low168 Ų168161.6 Ų161.679%0.78580%0.802SS**  trans-50.2158.2-172-70.3-88.8-20.800116.4
253P40.8Very low34.4Very low95 Ų95161 Ų16162%0.61780%0.8SS**  trans-73.1131.6162.831.8-32.3000111F255P253-F255 PolarHBondContact O-N 2.82Å
254D31.6Very low33.9Very low167 Ų167162.2 Ų162.289%0.89380%0.8SS**  trans-67.298.3-180-69.3-57.1000112.6
255F37Very low34Very low176 Ų176164.1 Ų164.177%0.77280%0.801SS**  trans-90.8112.9150.1-75.2-82.5000108P253 M257P253-F255 PolarHBondContact O-N 2.82Å; F255-M257 PolarHBondContact O-N 3.05Å
256A31.2Very low33.6Very low109 Ų109163.4 Ų163.490%0.90180%0.8SS**  trans-61.695.6174.900000110.3
257M34.2Very low33.5Very low164 Ų164162.1 Ų162.181%0.80880%0.795SS**  trans-88.6104.3170.6-173.5-179.2-63.200108.1F255 K259F255-M257 PolarHBondContact O-N 3.05Å; M257-K259 PolarHBondContact O-N 2.97Å
258E33.1Very low33.2Very low189 Ų189161.2 Ų161.288%0.88379%0.791SS**  trans-58.6104.1169.5-170.3170.5-141.700109P260E258-P260 WeakPolarHBondContact O-CD 3.43Å
259K36.5Very low33.4Very low178 Ų178159.4 Ų159.477%0.77480%0.795SS**  trans-81119.8174.3-76.3-178.1175.8179.40108.4M257 L261M257-K259 PolarHBondContact O-N 2.97Å; K259-L261 PolarHBondContact O-N 3.2Å
260P34Very low33.1Very low115 Ų115156.6 Ų156.675%0.74780%0.802SS**  trans-63.6124.5163.727.5-32.1000108.4E258 V262E258-P260 WeakPolarHBondContact O-CD 3.43Å; P260-V262 PolarHBondContact O-N 3.07Å; P260-V262 VanDerWaalsContact O-N 3.12Å
261L28.3Very low33.4Very low162 Ų162153.6 Ų153.685%0.84880%0.799SS**  trans-79.493.3-177.1-165.9150.2000108.7K259K259-L261 PolarHBondContact O-N 3.2Å
262V32.3Very low33.3Very low132 Ų132152.4 Ų152.480%0.880%0.802SS**  trans-121.783.3173.2-175.60000108.9P260 Q264P260-V262 PolarHBondContact O-N 3.07Å; P260-V262 VanDerWaalsContact O-N 3.12Å; V262-Q264 PolarHBondContact O-N 3.3Å
263Q35.1Very low33Very low165 Ų165153.7 Ų153.777%0.77181%0.805SS**  trans-86.192.7169.4-174.6166.5-6.700109.3I265Q263-I265 PolarHBondContact O-N 2.88Å
264Q28.4Very low32.7Very low164 Ų164154.3 Ų154.377%0.76681%0.812SS**  trans23.390.6139.7-167.8177.713.800116.7V262V262-Q264 PolarHBondContact O-N 3.3Å
265I33.4Very low32.8Very low161 Ų161153.5 Ų153.583%0.82681%0.808SS**  trans-120.5101.2149.7-60.6-178.1000107.3Q263Q263-I265 PolarHBondContact O-N 2.88Å
266Y28.2Very low32.8Very low228 Ų228154.2 Ų154.289%0.89481%0.811SS**  trans-86.4106170-121.6-95000107.4
267A29Very low33.2Very low73 Ų73156.8 Ų156.860%0.60381%0.809SS**  trans-165.2100.2166.500000113.1
268N32.3Very low33.3Very low147 Ų147156.9 Ų156.979%0.78681%0.807SS**  trans63.8157.7147.6-56-13.7000119.9
269N35.7Very low33.3Very low165 Ų165155.7 Ų155.788%0.88281%0.807SS**  trans69.898.3176.9-40.1-17.4000112.1
270G30.8Very low33.3Very low75 Ų75153.8 Ų153.877%0.77381%0.81SS**  cis96.254.920.400000111.5
271E38.1Very low33.4Very low186 Ų186154.7 Ų154.787%0.86981%0.807SS**  trans-163153.1157.2-110.6159.1-147.500110.1
272E32.1Very low33.7Very low181 Ų181155.3 Ų155.385%0.84681%0.805SS**  trans-62.3125.7-157.8-64161.1163.600116.6
273F30.4Very low33.7Very low195 Ų195155.2 Ų155.286%0.85581%0.807SS**  trans-130.153.6161.3-88-80.4000111.7
274S34.5Very low33.6Very low108 Ų108153 Ų15376%0.75581%0.805SS**  trans-109.671.5175.5-59.60000110.6
275N35Very low33.8Very low151 Ų151153.9 Ų153.981%0.80781%0.809SS**  trans-158.68.1179.1-95.1-35.8000116.9
276F36.7Very low33.8Very low190 Ų190157.3 Ų157.383%0.83381%0.812SS**SBendtrans-11911.1-171.3-85.8-76.7000116.3
277L39.8Very low34.1Very low163 Ų163155.4 Ų155.485%0.85381%0.811SS**SBendtrans-135.4-2.9-177.9-96.2164.9000116.1
278E35.1Very low34.4Very low166 Ų166158.5 Ų158.578%0.77682%0.816SS**SBendtrans-92.4-12.1-174.9-126.372.2-148.400114.2V280E278-V280 PolarHBondContact O-N 2.98Å
279D33.9Very low34.7Very low164 Ų164157.5 Ų157.588%0.87782%0.818SS**THydrogen-bonded Turntrans-92.321-158.5-131.919.1000115.7
280V36.6Very low34.6Very low139 Ų139155.1 Ų155.184%0.84281%0.805SS**THydrogen-bonded Turntrans-128.428.8179.3-157.60000112.3E278E278-V280 PolarHBondContact O-N 2.98Å
281I35.6Very low35Very low133 Ų133159 Ų15968%0.68281%0.808SS**  trans-132.151.6178-38-176.5000112.6
282H35.5Very low34.8Very low176 Ų176157.1 Ų157.182%0.81580%0.799SS**  trans-147.3110.4162-86.8-57.8000113T284H282-T284 PolarHBondContact O-N 2.97Å; H282-T284 VanDerWaalsContact O-N 3.16Å
283P32Very low35Very low129 Ų129156.5 Ų156.584%0.83880%0.801SS**  trans-83.385.8171.833.3-32000110.3Q285P283-Q285 PolarHBondContact O-N 3.37Å
284T33.8Very low35.1Very low118 Ų118151.9 Ų151.972%0.72479%0.793SS**  trans-73.9109.3175.8-58.40000110.8H282 R286H282-T284 PolarHBondContact O-N 2.97Å; H282-T284 VanDerWaalsContact O-N 3.16Å; T284-R286 PolarHBondContact O-N 3.3Å
285Q31.1Very low35.1Very low183 Ų183156.5 Ų156.586%0.85580%0.8SS**  trans-52.1124.5173.1-65.1171.1-42.100111.9P283P283-Q285 PolarHBondContact O-N 3.37Å
286R34.2Very low35.4Very low233 Ų233155.7 Ų155.788%0.87980%0.8SS**  trans-138.5136.5153.6-71.9-162.6174.9-169.1-0.3110.7T284T284-R286 PolarHBondContact O-N 3.3Å
287H34.5Very low35.5Very low189 Ų189150.9 Ų150.988%0.87579%0.79SS**  trans-59.4152.3-161.4-72.7-108.6000116.8
288L35Very low35.4Very low137 Ų137151.5 Ų151.572%0.71779%0.789SS**  trans-61.3169162.6-81.784.6000112.2
289P38.8Very low35.7Very low126 Ų126147.3 Ų147.382%0.81878%0.778SS**  -120.8151.6104.335.5-34.7000113.8
290D32.8Very low36.1Very low115 Ų115146.4 Ų146.462%0.61577%0.77SS**  trans-66.2142.8-174-54.2-70.9000113.8
291N40.4Very low36.5Very low156 Ų156146 Ų14683%0.83476%0.762SS**  trans-148.4113.2135.6-151.1-10.3000110.8
292H33.1Very low37Very low147 Ų147144.4 Ų144.468%0.68176%0.755SS**  trans-77.9131-177.9-64.5-85.3000111.3
293N36.6Very low37.4Very low168 Ų168142.5 Ų142.590%0.89875%0.75SS**  trans-147.289.3147.3-91.8-44.2000108.4
294S32.5Very low37.9Very low98 Ų98144.1 Ų144.169%0.68575%0.751SS**  trans-78.8129.4-177.853.50000112.1
295F33.8Very low38.4Very low205 Ų205142.6 Ų142.690%0.89975%0.745SS**  trans-154.1156.6143.9-84.4-67.1000109.5
296V41.7Very low39Very low134 Ų134142 Ų14281%0.81274%0.739SS**SBendtrans85.779.5174.1-163.30000117.7
297S38Very low39.2Very low89 Ų89138.3 Ų138.362%0.62274%0.737SS**  trans33.6105.5142.361.40000121.5S299S297-S299 PolarHBondContact O-N 2.98Å
298H38.3Very low39.5Very low176 Ų176137.4 Ų137.482%0.81573%0.733SS**SBendtrans-69.312.7167.4-113.9-87.7000115.9M300H298-M300 PolarHBondContact O-N 2.86Å
299S42Very low39.6Very low79 Ų79136.6 Ų136.655%0.55274%0.736SS**THydrogen-bonded Turntrans-94.48.2-156.561.50000117.3S297S297-S299 PolarHBondContact O-N 2.98Å
300M41.7Very low39.3Very low144 Ų144134.4 Ų134.471%0.70974%0.736SS**THydrogen-bonded Turntrans-121.9-6.9-170.9-70.3-75-78.900115.2H298H298-M300 PolarHBondContact O-N 2.86Å
301I45.2Very low39.5Very low130 Ų130140.7 Ų140.767%0.66775%0.752SS**SBendtrans-89.3-29.5-174.4-64173.1000111.7L303I301-L303 VanDerWaalsContact C-N 3.29Å; I301-L303 PolarHBondContact O-N 2.89Å
302D46.8Very low39.2Very low101 Ų101144.1 Ų144.154%0.5475%0.753SS.*THydrogen-bonded Turntrans-80.81.5-178.3-66.2-32000115.3
303L43.9Very low39.6Very low135 Ų135142.1 Ų142.171%0.70776%0.761SS**THydrogen-bonded Turntrans-89.9-14.4174.9-8191.6000113.4I301I301-L303 VanDerWaalsContact C-N 3.29Å; I301-L303 PolarHBondContact O-N 2.89Å
304L42.7Very low39.4Very low164 Ų164138.8 Ų138.886%0.85975%0.748SS**SBendtrans-101.71.7-177.7-66.5173.5000113.9
305S44.3Very low39.7Very low86 Ų86144.1 Ų144.160%0.60176%0.759SS**SBendtrans-1090.4-17657.60000114.9
306K43.4Very low39.6Very low169 Ų169141.6 Ų141.674%0.73576%0.76SS**  trans-103-0.3-167.2-78.5178.3176.5167.10116.8
307D38.8Very low39.7Very low156 Ų156145.1 Ų145.183%0.83477%0.765SS**  trans-108.850.1-169.4-148.631.6000113.5
308Q39.7Very low39.4Very low171 Ų171147.2 Ų147.280%0.79978%0.778SS**  trans-126.5100173.1-81.5-75.9-24.700109.7G310Q308-G310 PolarHBondContact O-N 3.49Å
309P37.1Very low39.4Very low119 Ų119141.6 Ų141.677%0.77377%0.768SS**  trans-67.6130.6175.627-32.4000110.4
310G33.1Very low39Very low80 Ų80147.9 Ų147.983%0.82578%0.781SS**  trans-69.1130.7-159.300000115.8Q308Q308-G310 PolarHBondContact O-N 3.49Å
311R36.4Very low38.7Very low248 Ų248147.1 Ų147.194%0.93678%0.78SS**  trans-92.8108.1159.8-154.3176.192-179.76.6109.3A313R311-A313 PolarHBondContact O-N 3.06Å
312R33.7Very low38.3Very low228 Ų228145.7 Ų145.786%0.8678%0.781SS**  trans-55.7134.8178.8-72.8-178.4174.4-168.5-1.2111.7
313A41.9Very low38Very low104 Ų104148 Ų14886%0.8679%0.793SS**  trans-121.275.5159.500000109.2R311 F315R311-A313 PolarHBondContact O-N 3.06Å; A313-F315 PolarHBondContact O-N 3.41Å
314T32.2Very low37.6Very low99 Ų99146.1 Ų146.161%0.60779%0.791SS**  trans-70.6112.7164.140.10000109.1
315F39.1Very low37.4Very low209 Ų209144.6 Ų144.692%0.91778%0.783SS**  trans-161.287.5145.3-79.2-55.1000110.5A313 K317A313-F315 PolarHBondContact O-N 3.41Å; F315-K317 PolarHBondContact O-N 3.48Å
316T31Very low37.1Very low152 Ų152145.9 Ų145.993%0.93379%0.788SS**  trans-69.8118.6160440000109.2
317K44Very low36.7Very low208 Ų208145.8 Ų145.890%0.90479%0.79SS**  trans-132.6103.3164.3-159.6175.8-174.9-176.30109.9F315F315-K317 PolarHBondContact O-N 3.48Å
318C33.1Very low36.7Very low133 Ų133144 Ų14490%0.89978%0.784SS**  trans-82.5146.7174.7-1800000110.6
319G36.7Very low36.5Very low59 Ų59141.4 Ų141.461%0.60878%0.78SS**  trans144144.4166.900000112.3
320Y35.1Very low36.4Very low210 Ų210140.7 Ų140.782%0.82478%0.778SS**  cis-161.9161.1-1.7-140.3-112.9000108.7
321D35.4Very low36.7Very low128 Ų128140.9 Ų140.968%0.68477%0.766SS**  trans73.1133.3157.5-72.4-18000126.3
322S35.6Very low36.9Very low100 Ų100136 Ų13670%0.69976%0.759SS**  trans73.1123.1140.7-67.50000119.1
323L40.5Very low37.2Very low151 Ų151132.7 Ų132.779%0.79175%0.753SS**  cis-159157.645.3-149.475.4000111.9
324S36.8Very low37.2Very low94 Ų94130.8 Ų130.866%0.65773%0.733SS**  trans27137.8149.561.40000120.6
325D37.1Very low37.5Very low132 Ų132134.3 Ų134.371%0.70674%0.743SS**  cis-169.1161.738.1-149-12.8000113.1
326T38Very low37.4Very low113 Ų113130 Ų13069%0.69374%0.738SS**  trans55.6139.3161.1530000121.4
327H36.3Very low37.6Very low168 Ų168127.9 Ų127.978%0.77873%0.73SS**  cis-172.9158-26.3-130.4-84.1000108.7
328V37.4Very low37.2Very low117 Ų117123.6 Ų123.671%0.70973%0.726SS**  trans90102155.4176.10000121.2
329V36.9Very low37.2Very low118 Ų118120.9 Ų120.972%0.71572%0.72SS**  61.1105.4128.6-177.50000118.3
330S34.6Very low37.2Very low104 Ų104126.6 Ų126.673%0.72774%0.736SS**  71.2149.678.1105.60000114.7
331S39.9Very low37.4Very low83 Ų83124.4 Ų124.458%0.5874%0.737SS**  cis-159.516023.6-136.10000112.6
332D40.2Very low37.3Very low146 Ų146125.7 Ų125.778%0.78174%0.744SS**  trans58.7158.8147-60.3-43000119.9
333E40.2Very low37.3Very low159 Ų159124.8 Ų124.874%0.74375%0.75SS**  cis-153.6163.8-4.9-112.7-145.596.200105.5H335E333-H335 IonicContact OE1-NE2 3.91Å
334S40.1Very low37Very low64 Ų64125.8 Ų125.845%0.44875%0.751SS.*  cis-176.6160.8-21.855.40000110.4
335H38.7Very low37.1Very low173 Ų173131 Ų13180%0.80176%0.762SS**  trans63.6156.4163.1-44.2-48.3000117.3E333E333-H335 IonicContact OE1-NE2 3.91Å
336S38.5Very low37.1Very low117 Ų117130.4 Ų130.482%0.81876%0.764SS**  cis-153.5162.8-2.945.70000112.6
337S34.2Very low37.1Very low108 Ų108131.1 Ų131.176%0.75577%0.767SS**  trans-39.4151.6174.1-176.30000120.6
338S35.9Very low37.4Very low119 Ų119129 Ų12983%0.83277%0.768SS**  trans103.4142.9141.479.20000120.6
339G34.1Very low37.2Very low75 Ų75132.1 Ų132.177%0.77378%0.775SS**  trans11589.9155.500000117.9I341G339-I341 PolarHBondContact O-N 3.3Å
340L36.6Very low37.3Very low180 Ų180130.9 Ų130.994%0.94278%0.778SS**  trans-78106.3159.7-79.4165.1000110.1
341I39.2Very low37.3Very low163 Ų163132.1 Ų132.184%0.83678%0.781SS**  trans-144143.8158.9-54.4-177000110.3G339G339-I341 PolarHBondContact O-N 3.3Å
342N33.1Very low37Very low155 Ų155132.3 Ų132.383%0.82978%0.782SS**  trans-60.9155.8-178.1-56.9-39.5000114.9
343G35.6Very low36.8Very low82 Ų82130.9 Ų130.985%0.84578%0.781SS**  trans-123.9118.8164.700000111.3
344E32.9Very low36.3Very low171 Ų171130.1 Ų130.180%0.79978%0.782SS**  trans-94.4152.4-178-54.1170.2135.400111.8
345F38.7Very low36Very low204 Ų204136.4 Ų136.490%0.89580%0.802SS**  trans-149.385.9149.1-87.1-74.4000109.2
346T39Very low35.7Very low120 Ų120133.6 Ų133.674%0.73680%0.799SS**  98118.595.1-54.20000113.3
347V36.5Very low35.3Very low127 Ų127137.8 Ų137.877%0.7780%0.802SS**  trans-121.6141.6177.2174.30000109.7
348P43.3Very low35.1Very low123 Ų123139.8 Ų139.880%0.79981%0.805SS**  trans-90.4128.6163-6.525.8000112.2
349Q33.8Very low34.8Very low184 Ų184139.3 Ų139.386%0.8680%0.797SS**  trans-76.4151.7174.7-66.3177.5-9.300113.5
350A37.8Very low34.5Very low92 Ų92140.5 Ų140.576%0.7679%0.793SS**  trans-163.696.1131.300000109.1
351T35Very low34.3Very low130 Ų130141.9 Ų141.980%0.79879%0.788SS**  79.1124.497.4-520000114.2
352S34.3Very low33.9Very low87 Ų87140 Ų14061%0.60878%0.784SS**  trans-75.3177.3-171.661.10000114.7
353P36.6Very low33.9Very low116 Ų116139.7 Ų139.775%0.75378%0.777SS**  -134.9144.99337.1-27.1000115.3
354N27.8Very low33.6Very low142 Ų142142 Ų14276%0.75978%0.775SS**  trans-69.7145.5168.7-56-71.9000111.2
355F35.3Very low33.7Very low197 Ų197138.7 Ų138.786%0.86477%0.77SS**  trans-134145.6151.5-94.2-84.8000110.6
356P32.9Very low33.4Very low114 Ų114136.7 Ų136.774%0.7476%0.763SS**  trans-100.8166.2-158.738.9-34.9000114.9
357F29.2Very low33.5Very low204 Ų204136.2 Ų136.290%0.89576%0.762SS**  trans-58.2139.7171.3-72.5-98.8000113.8
358N30.3Very low33.2Very low151 Ų151137.2 Ų137.281%0.80776%0.763SS**  trans177.5146.2151.9-98.8-12.7000107.5
359T28.9Very low33Very low109 Ų109142 Ų14267%0.66977%0.766SS**  cis-165.8148.7-17.86.90000106.5
360S27.6Very low32.9Very low99 Ų99139.1 Ų139.169%0.69276%0.762SS**  trans43.5107.1156.761.80000119.6
361Y32.4Very low32.7Very low210 Ų210141.1 Ų141.182%0.82477%0.769SS**  trans-137.299.2130.7-141.8-97.7000110.7E363Y361-E363 HydrophobicContact CD1-CB 4.29Å; Y361-E363 HydrophobicContact CE1-CB 4.41Å
362T30.8Very low32.8Very low123 Ų123142.7 Ų142.776%0.75577%0.768SS**  trans-86.9102169.745.80000108.7
363E33.8Very low32.7Very low148 Ų148146.9 Ų146.969%0.69278%0.778SS**  trans-103.291.2168.7-167.2158.2-160.600110.7Y361 C365Y361-E363 HydrophobicContact CD1-CB 4.29Å; Y361-E363 HydrophobicContact CE1-CB 4.41Å; E363-C365 PolarHBondContact O-N 3.03Å; E363-C365 VanDerWaalsContact O-N 3.14Å
364T30Very low32.8Very low132 Ų132151.5 Ų151.581%0.8178%0.781SS**  trans-75.491.3175.147.80000110.9
365C35.1Very low33.4Very low101 Ų101150.2 Ų150.268%0.68278%0.775SS**  trans-109.778.6170.9-75.50000112.2E363 P367E363-C365 PolarHBondContact O-N 3.03Å; E363-C365 VanDerWaalsContact O-N 3.14Å; C365-P367 VanDerWaalsContact O-CD 3.3Å; C365-P367 WeakPolarHBondContact O-CD 3.22Å
366Q31.7Very low34Very low161 Ų161144.8 Ų144.875%0.75276%0.761SS**  trans-88.5114.9164.5-84.7-82.90.100110.4
367P41.1Very low34.5Very low111 Ų111144.5 Ų144.572%0.72175%0.753SS**  trans-97.187.1159.834-28.9000110.1C365 R369C365-P367 VanDerWaalsContact O-CD 3.3Å; C365-P367 WeakPolarHBondContact O-CD 3.22Å; P367-R369 PolarHBondContact O-N 3.04Å
368N30.7Very low35.4Very low147 Ų147143.3 Ų143.379%0.78675%0.75SS**  trans-55109.4163.2-90.8-50.8000109.9
369R38.2Very low36.2Very low225 Ų225142.2 Ų142.285%0.84974%0.743SS**  trans-138120159.8-75.2-163.8178.5-163.61.4110.6P367 C371P367-R369 PolarHBondContact O-N 3.04Å; R369-C371 PolarHBondContact O-N 3.45Å
370P32.5Very low36.9Very low122 Ų122143.3 Ų143.379%0.79275%0.745SS**  trans-67.9132.6170.829.4-32.5000109Q372P370-Q372 PolarHBondContact O-N 3.28Å
371C32.2Very low37.8Very low134 Ų134146.5 Ų146.591%0.90575%0.749SS**  trans-68.6100.9171.5-750000108.9R369 E373R369-C371 PolarHBondContact O-N 3.45Å; C371-E373 PolarHBondContact O-N 3.48Å
372Q36.7Very low38.2Very low164 Ų164144.6 Ų144.677%0.76675%0.746SS**  trans-73.9116.9178.5-159.8169.523.900109.3P370 Y374P370-Q372 PolarHBondContact O-N 3.28Å; Q372-Y374 PolarHBondContact O-N 3.37Å
373E33.1Very low38.8Very low175 Ų175149.4 Ų149.482%0.81875%0.75SS**  trans-66.897-174.2-169.8168.2-152.100111C371 N375C371-E373 PolarHBondContact O-N 3.48Å; E373-N375 VanDerWaalsContact C-N 3.28Å; E373-N375 PolarHBondContact O-N 3.05Å
374Y39.5Very low39.1Very low212 Ų212153.6 Ų153.683%0.83176%0.759SS**  trans-79.375.6-176.7-116.7-91.6000112.3Q372 S376Q372-Y374 PolarHBondContact O-N 3.37Å; Y374-S376 PolarHBondContact O-N 3.33Å
375N40.2Very low39.5Very low116 Ų116151.2 Ų151.262%0.6275%0.748SS**  trans26.790.1148.2-14414.2000117.1E373 N377E373-N375 VanDerWaalsContact C-N 3.28Å; E373-N375 PolarHBondContact O-N 3.05Å; N375-N377 PolarHBondContact O-N 3.24Å; N375-N377 VanDerWaalsContact OD1-CG 3.24Å; N375-N377 PolarHBondContact OD1-ND2 3.14Å; N375-N377 PolarHBondContact OD1-OD1 3.33Å
376S47.1Very low39.6Very low82 Ų82155.8 Ų155.857%0.57376%0.757SS**  trans-78.335.6-177.749.60000114.9Y374Y374-S376 PolarHBondContact O-N 3.33Å
377N44.5Very low40.1Very low109 Ų109156.9 Ų156.958%0.58376%0.762SS**THydrogen-bonded Turntrans-92.6-7.2-165.6-67.41.3000115.5N375N375-N377 PolarHBondContact O-N 3.24Å; N375-N377 VanDerWaalsContact OD1-CG 3.24Å; N375-N377 PolarHBondContact OD1-ND2 3.14Å; N375-N377 PolarHBondContact OD1-OD1 3.33Å
378E46.2Very low40.1Very low178 Ų178160.8 Ų160.883%0.83277%0.767SS**THydrogen-bonded Turntrans-96.9-3.4179-72.5-171.1138.200114.7N380E378-N380 PolarHBondContact O-N 3.45Å
379I48Very low40.3Very low128 Ų128162 Ų16266%0.65677%0.774SS**THydrogen-bonded Turntrans-84.9-9.2-170.4-64176.6000113.2
380N44.6Very low40.4Very low132 Ų132156.5 Ų156.571%0.70677%0.769SS**THydrogen-bonded Turntrans-86-8.6-175.9-85.5-30.4000116.1E378E378-N380 PolarHBondContact O-N 3.45Å
381E44.9Very low40.5Very low167 Ų167160.8 Ų160.878%0.7877%0.771SS**SBendtrans-74.9-31174.8-85.3-78.2115.400112.8R383E381-R383 PolarHBondContact O-N 3.29Å
382F42Very low40.8Very low170 Ų170160.3 Ų160.375%0.74677%0.768SS**THydrogen-bonded Turntrans-89.84.5-172.2-74.7-78.9000115.5
383R43.3Very low40.8Very low224 Ų224160.2 Ų160.285%0.84577%0.772SS**THydrogen-bonded Turntrans-106.413.7-172.1-145.5-178.9-179.6-155.6-1.9115E381E381-R383 PolarHBondContact O-N 3.29Å
384R39Very low40.8Very low236 Ų236155.4 Ų155.489%0.89177%0.769SS**SBendtrans-124.619.1-174.7-147.8-173.2-70.4-165.30115.1
385S40Very low40.9Very low81 Ų81151.9 Ų151.957%0.56677%0.774SS**SBendtrans-133.316.8-167460000116.1
386F36.5Very low40.8Very low198 Ų198149.4 Ų149.487%0.86878%0.776SS**SBendtrans-119.522.5179.4-75.4-75.2000114.6
387E40.9Very low40.5Very low183 Ų183156.9 Ų156.986%0.85579%0.791SS**SBendtrans-126.563179.1-165.3173.1-161.500111.3
388K41.6Very low40.5Very low193 Ų193161.7 Ų161.784%0.83981%0.807SS**SBendtrans164.298.5162.7-94.3153.8-174.3174.50107.3
389D35.8Very low40Very low172 Ų172157 Ų15792%0.9281%0.806SS**  trans-178.772.7152.9-93.7-20.8000109.7
390C38.9Very low39.8Very low111 Ų111160.3 Ų160.375%0.7582%0.816SS**  trans-127.5116.3167.1-820000108.8
391Y35.2Very low39.7Very low212 Ų212161 Ų16183%0.83182%0.818SS**  trans69.6106.9171.2-49.4-75.5000118.5
392S37.9Very low39.6Very low123 Ų123161.4 Ų161.486%0.8682%0.82SS**  -151.6122.1110.7-81.30000110.7
393I38.2Very low39.6Very low163 Ų163157.7 Ų157.784%0.83682%0.815SS**  trans-69.6138.9176-71.4164.5000108.9
394G33.4Very low39.4Very low74 Ų74154 Ų15476%0.76381%0.812SS**  trans-70.4147-175.200000113.7
395C40.5Very low39.8Very low137 Ų137152 Ų15293%0.92681%0.81SS**  trans-132.1130155.6-164.60000108.9
396G38Very low40.1Very low64 Ų64155.2 Ų155.266%0.6682%0.816SS**  trans-102.1151-171.400000114
397R41.5Very low40.6Very low239 Ų239151.5 Ų151.590%0.90280%0.804SS**  trans85.8122.1158.2-61.1-170.3-85.4-151.8-4.1119.4
398K43.8Very low40.7Very low211 Ų211151.8 Ų151.892%0.91780%0.803SS**  trans70.6106.5143.1-73.1-175.7171.1-175.40119
399G36.1Very low40.9Very low79 Ų79149 Ų14981%0.81479%0.793SS**  trans176.6110.8154.400000109.6
400K44Very low41.3Very low197 Ų197147.4 Ų147.486%0.85778%0.784SS**  trans-87.4166.8172.1-72.9-174170.7-175.50109.8
401I42.9Very low41.5Very low148 Ų148150.7 Ų150.776%0.75979%0.788SS**  trans93.289.7159.9-57.6143.1000115
402E41.9Very low41.8Very low175 Ų175150.9 Ų150.982%0.81879%0.787SS**  64.3102.3114.7-160.9171.3-167.300119.8
403S41.2Very low42.1Very low92 Ų92150.9 Ų150.964%0.64378%0.777SS**  -179.882.7116.649.80000112.8K405S403-K405 PolarHBondContact O-N 3.16Å
404D41Very low42.2Very low145 Ų145148 Ų14878%0.77578%0.779SS**THydrogen-bonded Turntrans-79.736.6-177.6-131.2-7.9000114
405K47.5Very low42.4Very low194 Ų194155.7 Ų155.784%0.84378%0.784SS**THydrogen-bonded Turntrans-98.2-11.8177.5-80-173.11761780114.1S403S403-K405 PolarHBondContact O-N 3.16Å
406Q46.2Very low42.4Very low149 Ų149158.5 Ų158.570%0.69678%0.781SS**SBendtrans-93.4-15.4-179.7-66-172.10.300114.2K408 E409Q406-K408 PolarHBondContact O-N 2.85Å; Q406-K408 VanDerWaalsContact O-N 3.16Å; Q406-E409 PolarHBondContact O-N 2.95Å; Q406-E409 VanDerWaalsContact O-N 3.1Å
407L46.2Very low42.2Very low120 Ų120164.7 Ų164.763%0.62879%0.792SS**THydrogen-bonded Turntrans-68.3-16.8-174.9-163.860.6000114.2
408K41.9Very low42.1Very low189 Ų189158.8 Ų158.882%0.82279%0.785SS**THydrogen-bonded Turntrans-86.2-10.1173.7-82.8-174174.5178.70115Q406Q406-K408 PolarHBondContact O-N 2.85Å; Q406-K408 VanDerWaalsContact O-N 3.16Å
409E46.8Very low41.9Very low136 Ų136154 Ų15464%0.63677%0.773SS**THydrogen-bonded Turntrans-88.7-34.7179.7-149.9107.8-129.700111.4Q406 Q411 R412 N413Q406-E409 PolarHBondContact O-N 2.95Å; Q406-E409 VanDerWaalsContact O-N 3.1Å; E409-Q411 PolarHBondContact O-N 2.75Å; E409-R412 PolarHBondContact O-N 3.46Å; E409-N413 PolarHBondContact O-ND2 3.08Å
410L43.5Very low42Very low138 Ų138160.8 Ų160.872%0.72378%0.776SS**THydrogen-bonded Turntrans-63.7-23.3179.1-106.3148.8000113.9
411Q43Very low41.6Very low179 Ų179156.5 Ų156.584%0.83677%0.766SS**THydrogen-bonded Turntrans-86.4-3.9179.7-138.4177.127.600114.4E409E409-Q411 PolarHBondContact O-N 2.75Å
412R43.4Very low41.3Very low217 Ų217157.2 Ų157.282%0.81977%0.768SS**THydrogen-bonded Turntrans-106.2-13.9176.7-94-178.7171.5163.5-2.3114.9E409E409-R412 PolarHBondContact O-N 3.46Å
413N42.2Very low41Very low122 Ų122152.1 Ų152.165%0.65276%0.756SS**  trans-91.90.6-169.8-68.3-24.8000115.1E409 R415E409-N413 PolarHBondContact O-ND2 3.08Å; N413-R415 PolarHBondContact O-N 2.9Å
414A41.1Very low41Very low104 Ų104155.7 Ų155.786%0.8677%0.768SS**SBendtrans-80.219.917600000114.7
415R37.1Very low40.9Very low235 Ų235154.5 Ų154.589%0.88776%0.76SS**  trans-137.251.2-175.6-149.6178.4-167.5-172.63.8113.7N413N413-R415 PolarHBondContact O-N 2.9Å
416K40.3Very low40.3Very low195 Ų195151 Ų15185%0.84876%0.757SS**  trans-142.7100.2165.8-73.3-171.3178.3178.40111.4
417H34.1Very low40.1Very low194 Ų194151.3 Ų151.390%0.89876%0.763SS**  trans-113.7138.9151-79.5-26.8000108.5
418P40.9Very low39.8Very low115 Ų115153.9 Ų153.975%0.74777%0.771SS**  trans-86.2138.7-179.133.8-33.3000112.8
419V38.8Very low39.3Very low110 Ų110152.6 Ų152.667%0.66777%0.768SS**  32.9115.7128.7-173.70000118.6
420Y38.7Very low38.8Very low223 Ų223154.4 Ų154.488%0.87578%0.781SS**  -166.499.8119.6-87.3-70000106.2
421T35.6Very low38.4Very low106 Ų106155.6 Ų155.665%0.6578%0.783SS**  29114.796.813.20000113
422M36.6Very low38Very low163 Ų163153.1 Ų153.180%0.80378%0.784SS**  -132.3123.160.6-61.2-74.3-83.600110.8
423A36Very low37.6Very low68 Ų68151.8 Ų151.856%0.56278%0.784SS**  68.6102.686.500000113.6I425A423-I425 PolarHBondContact O-N 3.24Å
424D39.9Very low37.4Very low168 Ų168154.9 Ų154.990%0.89880%0.795SS**  trans-62.3114.5169-57.3-68.5000109.9
425I39.2Very low37Very low120 Ų120155 Ų15562%0.61579%0.789SS**  trans-112.1111.4170.6-59.1176.3000107.2A423 L427A423-I425 PolarHBondContact O-N 3.24Å; I425-L427 HydrophobicContact CG2-CB 4.4Å; I425-L427 HydrophobicContact CG2-CD1 3.85Å; I425-L427 PolarHBondContact O-N 3.46Å
426P35.3Very low37Very low120 Ų120148.3 Ų148.378%0.77978%0.777SS**  trans-72.5112.816230.5-28.4000106.9
427L41.2Very low36.8Very low155 Ų155146.6 Ų146.681%0.81278%0.778SS**  trans-112.5123.1172.2-144.482.7000110.2I425I425-L427 HydrophobicContact CG2-CB 4.4Å; I425-L427 HydrophobicContact CG2-CD1 3.85Å; I425-L427 PolarHBondContact O-N 3.46Å
428E39.4Very low36.8Very low174 Ų174146.5 Ų146.581%0.81378%0.775SS**  trans-68.4143.7-178.7-68.114912900112
429E32.5Very low36.6Very low162 Ų162148 Ų14876%0.75778%0.777SS**  trans40.787.7134.1-163172-145.600118.2
430L37.2Very low36.7Very low174 Ų174151.2 Ų151.291%0.91179%0.785SS**  trans-131.291.7150.9-80179.7000111.2
431H33.9Very low36.8Very low164 Ų164147.1 Ų147.176%0.75978%0.778SS**  trans-64.8130.3164-79.2-79.6000110.8
432C33.7Very low36.7Very low127 Ų127150.8 Ų150.886%0.85879%0.788SS**  trans-138.9101.4154.3-152.70000110.6
433K36.8Very low36.7Very low189 Ų189149.6 Ų149.682%0.82278%0.783SS**  trans-81129162.4-70.1177.8176.31790107.9
434Q36.1Very low36.9Very low186 Ų186152.3 Ų152.387%0.86980%0.795SS**  trans-165.5115.8135.3-111.4163.89.200111
435S33.5Very low36.9Very low107 Ų107152.5 Ų152.575%0.74879%0.792SS**  trans-75.7139.6160.947.10000109.3
436C37.4Very low36.8Very low94 Ų94154.8 Ų154.864%0.63580%0.8SS**  trans-135.4100160.8-85.50000108F438C436-F438 HydrophobicContact CB-CD2 3.98Å; C436-F438 HydrophobicContact CB-CE2 3.67Å
437D36.1Very low37Very low159 Ų159160.6 Ų160.685%0.8581%0.807SS**  trans-64.2130.1155.1-64-53.3000107.7
438F34.9Very low37Very low192 Ų192164.6 Ų164.684%0.84281%0.811SS**  trans-119.2103.6169.9-86.4-76.2000108.8C436C436-F438 HydrophobicContact CB-CD2 3.98Å; C436-F438 HydrophobicContact CB-CE2 3.67Å
439D36.4Very low37.4Very low147 Ų147160 Ų16079%0.78681%0.811SS**  trans-125100.8169.5-16518.4000108.3
440Q40.4Very low37.7Very low178 Ų178160.8 Ų160.883%0.83282%0.817SS**  trans-175.4107.8162.1-109.4154.489.700113.3
441N39.7Very low37.8Very low137 Ų137158 Ų15873%0.73381%0.811SS**  47.3107.4127.1-56.4-13.8000121.2
442E34.6Very low38.1Very low183 Ų183156.5 Ų156.586%0.85582%0.815SS**  69.9152.1120.5-145.5178.5165.200122.2
443I37.3Very low38.5Very low138 Ų138157.9 Ų157.971%0.70881%0.813SS**  trans86.699.8169.2-46.8173.6000116.6
444P39.3Very low38.7Very low124 Ų124158.6 Ų158.681%0.80582%0.816SS**  trans-96.1134.5162.334.8-28000111.9
445M40.4Very low38.9Very low172 Ų172153.6 Ų153.685%0.84782%0.815SS**  trans-143.3107.5163.9-163.1171-6900113.5
446E37.5Very low39.2Very low168 Ų168157 Ų15779%0.78582%0.819SS**  trans-2.4127.1150-175.2178.7-152.600119.1
447R38.4Very low39.3Very low243 Ų243158.4 Ų158.492%0.91783%0.827SS**  -165.5136.7123.4-108.1168.5-167.6-133.72.1116.1
448R41.2Very low39.4Very low238 Ų238159.6 Ų159.690%0.89883%0.83SS**  trans-28136.9167.7-73.1171.4166.3-137.3-1.7117.3
449G47.2Very low39.8Very low79 Ų79156 Ų15681%0.81483%0.829SS**  trans-157107.7155.500000111.4
450M40.3Very low40Very low177 Ų177155.1 Ų155.187%0.87283%0.829SS**  trans-89.3134.5176.1-73.9154.451.900110.8
451C39Very low40.2Very low117 Ų117155.2 Ų155.279%0.79183%0.829SS**  trans177.2122.1138.4-94.70000111.1
452P39Very low40.7Very low131 Ų131157.6 Ų157.685%0.85183%0.833SS**  trans-93125.1168.933.7-28.3000111.1
453L43.9Very low41.2Very low157 Ų157156.1 Ų156.182%0.82283%0.829SS**  trans-127.7107176.9-96.5163.8000112.1
454K40.2Very low41.2Very low203 Ų203158.3 Ų158.388%0.88383%0.83SS**  trans26.493.8158.1-68.1-174.9173.7-178.40118
455G40Very low41.2Very low82 Ų82159.5 Ų159.585%0.84583%0.829SS**  trans-87.8118.9158.800000112.5
456Q39.9Very low41.2Very low177 Ų177158.1 Ų158.183%0.82782%0.82SS**  trans-14140.7159.9-170.3171.1-0.300118.9
457P39.2Very low41.2Very low125 Ų125155.1 Ų155.181%0.81282%0.818SS**PPolyproline II helixtrans-71.5129.3174.330.1-33.9000111.7
458M38.9Very low41.4Very low184 Ų184148.5 Ų148.591%0.90681%0.809SS**PPolyproline II helixtrans-69.8134.6168.9-82.9-173.3-76.800111T460M458-T460 PolarHBondContact O-N 2.84Å
459S43.7Very low41.6Very low117 Ų117146.1 Ų146.182%0.81881%0.808SS**PPolyproline II helixtrans-65.8125.2172.247.10000111.3E461S459-E461 PolarHBondContact O-N 3Å
460T39.6Very low41.3Very low128 Ų128147.7 Ų147.779%0.78581%0.806SS**  trans-72.2104.1175.6-45.10000110.8M458 K462M458-T460 PolarHBondContact O-N 2.84Å; T460-K462 PolarHBondContact O-N 3Å
461E44.8Very low41.6Very low180 Ų180143.7 Ų143.784%0.84180%0.796SS**  trans-71.4119.5166.8-170.5170.7-171.800109.3S459 I463S459-E461 PolarHBondContact O-N 3Å; E461-I463 PolarHBondContact O-N 3.25Å
462K51.1Low41.7Very low187 Ų187147 Ų14781%0.81380%0.8SS**  trans-84.7108179.8-71.6-173.2177.5-177.20109.6T460 Y464T460-K462 PolarHBondContact O-N 3Å; K462-Y464 PolarHBondContact O-N 3.12Å; K462-Y464 VanDerWaalsContact O-N 3.1Å
463I44.5Very low41.9Very low151 Ų151146.4 Ų146.477%0.77480%0.798SS**  trans-61.7111.5170.3-55.4174.1000108.5E461 L465E461-I463 PolarHBondContact O-N 3.25Å; I463-L465 HydrophobicContact CG2-CG 4.34Å; I463-L465 PolarHBondContact O-N 3.15Å
464Y37.5Very low42Very low185 Ų185144 Ų14473%0.72580%0.801SS**  trans-85.788.9177.5-166.7-97.3000109.5K462 E466K462-Y464 PolarHBondContact O-N 3.12Å; K462-Y464 VanDerWaalsContact O-N 3.1Å; Y464-E466 HydrophobicContact CD1-CB 4.05Å; Y464-E466 HydrophobicContact CE1-CB 3.78Å; Y464-E466 HydrophobicContact CE1-CG 4.09Å; Y464-E466 VanDerWaalsContact CE1-OE1 3.26Å; Y464-E466 WeakPolarHBondContact CE1-OE1 3.34Å; Y464-E466 PolarHBondContact O-N 3.47Å; Y464-E466 VanDerWaalsContact O-N 3.14Å; Y464-E466 PolarHBondContact OH-OE1 3.31Å
465L39.2Very low42.4Very low149 Ų149139.4 Ų139.478%0.7880%0.795SS**  trans-78.984.3175.1-99163.2000110.5I463 S467I463-L465 HydrophobicContact CG2-CG 4.34Å; I463-L465 PolarHBondContact O-N 3.15Å; L465-S467 PolarHBondContact O-N 3.24Å; L465-S467 VanDerWaalsContact O-N 3.13Å
466E41.2Very low42.6Very low142 Ų142146.2 Ų146.266%0.66480%0.796SS**  trans-80.593.2173.1-158.7156.9-112.600110.6Y464Y464-E466 HydrophobicContact CD1-CB 4.05Å; Y464-E466 HydrophobicContact CE1-CB 3.78Å; Y464-E466 HydrophobicContact CE1-CG 4.09Å; Y464-E466 VanDerWaalsContact CE1-OE1 3.26Å; Y464-E466 WeakPolarHBondContact CE1-OE1 3.34Å; Y464-E466 PolarHBondContact O-N 3.47Å; Y464-E466 VanDerWaalsContact O-N 3.14Å; Y464-E466 PolarHBondContact OH-OE1 3.31Å
467S36.2Very low43.2Very low106 Ų106142.5 Ų142.574%0.74179%0.79SS**  trans-76.1119.1170.9-67.40000110.3L465L465-S467 PolarHBondContact O-N 3.24Å; L465-S467 VanDerWaalsContact O-N 3.13Å
468S43.3Very low44.1Very low104 Ų104141.7 Ų141.773%0.72779%0.785SS**  trans-149.894.5165.3-82.90000112.7
469Q45Very low44.9Very low188 Ų188143.8 Ų143.888%0.87978%0.783SS**  trans36.5132.9137.6-56.8-177.8-2.800120.8
470S40.8Very low45.7Very low111 Ų111144 Ų14478%0.77678%0.782SS**  trans77.8136.6148.3-151.10000116.7
471S45.8Very low46.3Very low93 Ų93144.2 Ų144.265%0.6578%0.782SS**  cis-165.9156.6-10.4-98.80000110.5
472Q42.6Very low46.4Very low188 Ų188143.8 Ų143.888%0.87978%0.78SS**  trans63.982.4158.4-65.4174.431.400118.9
473S42.6Very low46.2Very low117 Ų117139.1 Ų139.182%0.81877%0.771SS**  trans-81.6119.6148.8-53.90000109.5S475S473-S475 PolarHBondContact O-N 2.97Å
474A45.5Very low46.5Very low106 Ų106137.6 Ų137.688%0.87677%0.769SS**  trans-76.782.7175.900000111.2Y476A474-Y476 PolarHBondContact O-N 3.46Å
475S49.5Very low46.7Very low107 Ų107137.5 Ų137.575%0.74877%0.773SS**  trans-69.8111.5172.656.20000110.6S473 S477S473-S475 PolarHBondContact O-N 2.97Å; S475-S477 PolarHBondContact O-N 3.49Å
476Y43.3Very low46.7Very low225 Ų225135.4 Ų135.488%0.88277%0.771SS**  trans-71.197.9176.2-155.1-90000109.8A474A474-Y476 PolarHBondContact O-N 3.46Å
477S53.2Low46.6Very low100 Ų100134.4 Ų134.470%0.69978%0.779SS**PPolyproline II helixtrans-82.3121.8175.1-176.10000109.7S475 R479S475-S477 PolarHBondContact O-N 3.49Å; S477-R479 PolarHBondContact O-N 3.2Å
478P58.5Low47Very low107 Ų107134.1 Ų134.170%0.69578%0.778SS**PPolyproline II helixtrans-64.9124.2170.8-14.428.8000108.8
479R54.6Low46.8Very low228 Ų228136 Ų13686%0.8679%0.785SS**PPolyproline II helixtrans-62.7136.6170-77.1-170.2172.4-163.7-3.2109.1S477 T481S477-R479 PolarHBondContact O-N 3.2Å; R479-T481 PolarHBondContact O-N 2.98Å; R479-T481 VanDerWaalsContact O-N 3.1Å
480P60.8Low46.8Very low123 Ų123133.8 Ų133.880%0.79978%0.779SS**  trans-67.7109.3165.327.6-29.4000107.8E482P480-E482 PolarHBondContact O-N 3.44Å
481T52Low47.2Very low131 Ų131136.8 Ų136.880%0.80479%0.786SS**  trans-70.8124.7164.1-54.80000107.3R479 S483R479-T481 PolarHBondContact O-N 2.98Å; R479-T481 VanDerWaalsContact O-N 3.1Å; T481-S483 PolarHBondContact O-N 2.9Å; T481-S483 VanDerWaalsContact O-N 3.1Å
482E47.4Very low47Very low171 Ų171139.9 Ų139.980%0.79979%0.793SS**  trans-62.7114.4-179.3-66.8-179.2167.800110.3P480 T484P480-E482 PolarHBondContact O-N 3.44Å; E482-T484 VanDerWaalsContact C-N 3.29Å; E482-T484 PolarHBondContact O-N 3.32Å
483S47.7Very low47.2Very low89 Ų89135.3 Ų135.362%0.62278%0.782SS**  trans-8373.5178.6179.20000109.7T481 F485T481-S483 PolarHBondContact O-N 2.9Å; T481-S483 VanDerWaalsContact O-N 3.1Å; S483-F485 PolarHBondContact O-N 3.11Å; S483-F485 WeakPolarHBondContact OG-CD2 3.47Å; S483-F485 WeakPolarHBondContact OG-CE2 3.5Å
484T50.1Low47.4Very low119 Ų119139.3 Ų139.373%0.7379%0.787SS**  trans-77.495161.447.40000109E482 S486E482-T484 VanDerWaalsContact C-N 3.29Å; E482-T484 PolarHBondContact O-N 3.32Å; T484-S486 VanDerWaalsContact C-N 3.3Å; T484-S486 PolarHBondContact O-N 2.89Å
485F41.9Very low47.5Very low184 Ų184137.9 Ų137.981%0.80777%0.765SS**  trans-63.992.3162.8-77.6-85.9000109.6S483S483-F485 PolarHBondContact O-N 3.11Å; S483-F485 WeakPolarHBondContact OG-CD2 3.47Å; S483-F485 WeakPolarHBondContact OG-CE2 3.5Å
486S39.4Very low47.6Very low105 Ų105140.7 Ų140.773%0.73477%0.766SS**  trans-96.4107.4156.4-71.20000107.8T484 S488T484-S486 VanDerWaalsContact C-N 3.3Å; T484-S486 PolarHBondContact O-N 2.89Å; S486-S488 PolarHBondContact O-N 3.33Å
487S39.1Very low47.9Very low120 Ų120136.5 Ų136.584%0.83976%0.759SS**  trans-68101173.9-61.70000110.3
488S43.7Very low47.5Very low101 Ų101138.3 Ų138.371%0.70676%0.757SS**  trans-131.7111161.5-69.40000108.7S486 D490S486-S488 PolarHBondContact O-N 3.33Å; S488-D490 PolarHBondContact O-N 3.09Å
489T39.7Very low46.9Very low144 Ų144139.5 Ų139.588%0.88376%0.756SS**  trans-68.4109.1166.436.70000109.3
490D44.5Very low46.4Very low140 Ų140137.7 Ų137.775%0.74976%0.757SS**  trans-135.3129.4160.4-87.3-50.3000109.6S488 I492S488-D490 PolarHBondContact O-N 3.09Å; D490-I492 PolarHBondContact O-N 3.45Å
491L48.6Very low45.6Very low175 Ų175140.4 Ų140.492%0.91676%0.759SS**  trans-76.887.1177.1-67.6167.8000108.9S493L491-S493 PolarHBondContact O-N 3.47Å
492I43.1Very low45Very low158 Ų158142.8 Ų142.881%0.8176%0.761SS**  trans-73.283.6165.3-67.2177.7000107.8D490D490-I492 PolarHBondContact O-N 3.45Å
493S46.6Very low44.6Very low91 Ų91140.9 Ų140.964%0.63676%0.762SS**  trans-66.3124.3165.1-1790000108.8L491 D495L491-S493 PolarHBondContact O-N 3.47Å; S493-D495 PolarHBondContact O-N 3.32Å
494E45.4Very low44.3Very low201 Ų201145.2 Ų145.294%0.93977%0.772SS**  trans-75.266.1169.7-65.1-173.7111.900110.4
495D48.4Very low43.6Very low76 Ų76147.3 Ų147.341%0.40678%0.778SS.*  trans-121.883.2167.8-174.612.3000110.2S493 Q498S493-D495 PolarHBondContact O-N 3.32Å; D495-Q498 PolarHBondContact OD2-NE2 3.32Å
496E51.6Low43.5Very low166 Ų166144 Ų14478%0.77678%0.778SS**  trans-112.722.9-179.7-90.9-101.1112.600112
497D49.2Very low43.6Very low137 Ų137146.4 Ų146.473%0.73378%0.783SS**SBendtrans-110-0.6177.4-82.2-38000113.5
498Q46Very low43.8Very low139 Ų139150.5 Ų150.565%0.6579%0.786SS**SBendtrans-98.2-15.9178.5-69.8-165.672.500116.5D495 Q500D495-Q498 PolarHBondContact OD2-NE2 3.32Å; Q498-Q500 VanDerWaalsContact C-N 3.34Å; Q498-Q500 PolarHBondContact O-N 3.35Å
499I44.5Very low43.6Very low131 Ų131155.4 Ų155.467%0.67279%0.794SS**THydrogen-bonded Turntrans-83.4-4.7-168.2-62.6176.6000113.6
500Q43.8Very low43.4Very low191 Ų191152.7 Ų152.789%0.89379%0.786SS**THydrogen-bonded Turntrans-10419.1-175.3-158.915362.500115.6Q498Q498-Q500 VanDerWaalsContact C-N 3.34Å; Q498-Q500 PolarHBondContact O-N 3.35Å
501Q44.8Very low43.2Very low180 Ų180151.7 Ų151.784%0.84179%0.785SS**SBendtrans-118.74.3172.9-68-170.419.300115.1
502Q38.9Very low42.5Very low181 Ų181151.6 Ų151.685%0.84678%0.78SS**SBendtrans-104.429.8-176.8-66.6-166.9-5.500114.9
503T39.5Very low42.1Very low131 Ų131149.9 Ų149.980%0.80478%0.777SS**SBendtrans-120.65.2177.3-27.90000114.4
504E40.7Very low41.5Very low180 Ų180152.1 Ų152.184%0.84179%0.787SS**SBendtrans-13073.4168.9-74.5-175129.500109.5
505D37Very low40.9Very low162 Ų162146 Ų14687%0.86678%0.778SS**  trans175.793.7146.7-94.6-25.7000110.6
506S38.4Very low40Very low114 Ų114150 Ų15080%0.79780%0.799SS**  trans-152.368.6173.8-80.30000110.8
507N42.8Very low39Very low156 Ų156148.3 Ų148.383%0.83481%0.805SS**  trans-160.776.1168.1-93.7-44.6000112.1
508K43.1Very low38Very low207 Ų207147.2 Ų147.290%0.981%0.806SS**  trans162.782.6139.8-84.9153.5-169.2175.10114.6
509K37.9Very low37.1Very low204 Ų204148.7 Ų148.789%0.88782%0.818SS**  40.9117.1123.8-167.6175.8-1761790121.1
510A37.5Very low36.4Very low86 Ų86150.7 Ų150.771%0.71182%0.824SS**  trans67.114514900000117.9
511T38.6Very low35.5Very low119 Ų119150.5 Ų150.573%0.7382%0.821SS**  cis-154.1120.810.3-8.90000106
512E33.8Very low35Very low174 Ų174151.2 Ų151.281%0.81383%0.826SS**  60.2112.4101-160.7173.3-137.200116
513T34.7Very low34.7Very low121 Ų121150.5 Ų150.574%0.74282%0.823SS**  trans157104.7131.4-63.90000112.4
514T33.9Very low34.3Very low139 Ų139150.9 Ų150.985%0.85382%0.82SS**  trans44.1121.3137.4-44.60000121.5
515G34.3Very low33.8Very low72 Ų72148.8 Ų148.874%0.74281%0.81SS**  trans174.796.6160.700000114.5
516N30.1Very low33.6Very low159 Ų159150.4 Ų150.485%0.8581%0.81SS**  trans-66.3142.6175.6-58.2-25.1000112
517C30.3Very low33.3Very low132 Ų132150.4 Ų150.489%0.89280%0.801SS**  177.7155.9114-98.30000113.2
518C26.7Very low32.7Very low114 Ų114150.3 Ų150.377%0.7780%0.8SS**  trans-88.8166179.4-58.10000112.1
519L28.4Very low32.4Very low170 Ų170147.8 Ų147.889%0.8980%0.795SS**  trans65.5143.1167.6-64.2153.1000113.2
520E28.9Very low32.1Very low173 Ų173144.4 Ų144.481%0.80879%0.792SS**  cis-161.1-176.642.3-164.8161.6-167.800111.1
521K26Very low32.4Very low187 Ų187146.6 Ų146.681%0.81380%0.796SS**  trans-60.9143.3-175.7-56.4165.5179.6175.50113.8
522M34.8Very low32.4Very low194 Ų194149.5 Ų149.596%0.95680%0.798SS**  trans-135.496.1145.7-83.8-168.4171.400110.8
523E32.4Very low32.8Very low167 Ų167148.5 Ų148.578%0.7880%0.798SS**  trans-75.4177.3145.1-174.9168.5-15700108.7
524N30.8Very low32.9Very low138 Ų138149.8 Ų149.874%0.73880%0.801SS**  trans84.8146.2-174.1-47.5-33.8000113.8
525H30.8Very low33Very low136 Ų136146.8 Ų146.863%0.6379%0.79SS**  cis-164.1-177.4-21.6-127.7-100.6000105.9D527H525-D527 IonicContact CE1-OD1 3.89Å; H525-D527 PolarHBondContact CE1-OD1 3.32Å; H525-D527 IonicContact CG-OD1 2.68Å; H525-D527 IonicContact ND1-OD1 3.48Å; H525-D527 PolarHBondContact ND1-OD1 2.75Å; H525-D527 IonicContact ND1-OD2 3.85Å
526F32.6Very low33.2Very low197 Ų197150.6 Ų150.686%0.86480%0.799SS**  trans138.282.7158.7-76.5-56.4000109.1
527D31.3Very low33.4Very low114 Ų114147.6 Ų147.661%0.6180%0.796SS**  94.5136.857.3-69.2-16.8000113.1H525H525-D527 IonicContact CE1-OD1 3.89Å; H525-D527 PolarHBondContact CE1-OD1 3.32Å; H525-D527 IonicContact CG-OD1 2.68Å; H525-D527 IonicContact ND1-OD1 3.48Å; H525-D527 PolarHBondContact ND1-OD1 2.75Å; H525-D527 IonicContact ND1-OD2 3.85Å
528D29.7Very low33.8Very low154 Ų154150 Ų15082%0.82479%0.794SS**  trans-58.3143.4-179.7-87.6-52.3000113.6
529I36.8Very low34.3Very low153 Ų153153.6 Ų153.679%0.78580%0.796SS**  trans-127.9105.8152.5-60.2-177.8000109V531I529-V531 HydrophobicContact CG2-CG2 4.21Å
530T31.6Very low34.7Very low134 Ų134153.7 Ų153.782%0.82279%0.793SS**  trans-84.4141.3166.31.50000109.7
531V44.5Very low35.1Very low131 Ų131151.5 Ų151.579%0.79479%0.786SS**  trans-127.7129.1168.8177.50000109.2I529I529-V531 HydrophobicContact CG2-CG2 4.21Å
532K37.6Very low35.6Very low181 Ų181150.8 Ų150.879%0.78779%0.786SS**  trans-86.6160.1173.2-73177.6171.3-179.60110.7
533D41.9Very low36Very low153 Ų153151.7 Ų151.782%0.81878%0.784SS**  trans168154.5136-86.6-5.2000109.1
534D38.1Very low35.7Very low148 Ų148148.6 Ų148.679%0.79178%0.779SS**  cis-154.7175.6-43.3-145.7-2.9000109.5
535A35.6Very low36.1Very low76 Ų76150.7 Ų150.763%0.62879%0.79SS**  trans-42.7152.9-171.300000120.9
536T39.5Very low36.2Very low152 Ų152152.3 Ų152.393%0.93380%0.798SS**  -177.9159.5108.129.30000113.1
537A33.3Very low36.3Very low95 Ų95148.3 Ų148.379%0.78579%0.794SS**  trans-123.4155.7-16800000113.9
538H39.1Very low36.5Very low184 Ų184147 Ų14785%0.85279%0.794SS**  trans-157.7143.4140.9-137.8-74.5000114.8
539K35.9Very low36.9Very low188 Ų188146.3 Ų146.382%0.81779%0.785SS**  trans-88.7152.3171.2-65.4174175176.50111.9
540Q37.5Very low37Very low173 Ų173146 Ų14681%0.80878%0.779SS**  trans166.7153.3144.6-95-177.517.200108.3
541N37.5Very low37.4Very low127 Ų127145.4 Ų145.468%0.67977%0.77SS**  cis-155.4171.3-0.7-128.6-32000112
542H37Very low37Very low172 Ų172146.3 Ų146.380%0.79677%0.771SS**  trans-70.8154.4-174.9-61-107.5000116.5
543K41.6Very low36.7Very low213 Ų213141.3 Ų141.393%0.92676%0.763SS**  -163146.4110.6-115.7177.3-179.1179.50114.4
544C27.9Very low36.3Very low101 Ų101141.6 Ų141.668%0.68277%0.765SS**  trans-104.4153.6-179.3-174.70000110.3
545L39Very low36.1Very low182 Ų182139 Ų13995%0.95376%0.764SS**  trans-128.5137.3155.1-85.5172.2000109
546Q32.9Very low36.2Very low171 Ų171145.2 Ų145.280%0.79978%0.777SS**  trans-133.4174.3-163-149.1-178.610.600109
547S33.7Very low36.3Very low113 Ų113143.2 Ų143.279%0.7977%0.767SS**  trans78.4146.9171.981.60000116.2
548S36.1Very low36.2Very low85 Ų85146.6 Ų146.659%0.59477%0.766SS**  cis-154148.52.9-137.50000112.8
549E38.7Very low36Very low140 Ų140143.1 Ų143.165%0.65476%0.763SS**  trans52155.8135.6-70.3171.5120.200120.8
550K38.7Very low35.7Very low148 Ų148142 Ų14264%0.64376%0.76SS**  cis-162.8128.57-123.6157.3173.9149.60104.4
551N38.8Very low35.6Very low121 Ų121138.7 Ų138.765%0.64776%0.755SS**  111.1138.574.3-100.233000111.9
552N37.2Very low35.4Very low149 Ų149139.3 Ų139.380%0.79776%0.759SS**  trans71.1151.7153.1-52.7-4.8000118.3
553A31.1Very low35.4Very low76 Ų76136 Ų13663%0.62875%0.754SS**  cis-170.4161.9-25.100000109.3
554D32.2Very low34.9Very low160 Ų160133.1 Ų133.186%0.85674%0.744SS**  trans67.2147.9150.5-59.6-32.4000123.7
555A35.8Very low35.4Very low94 Ų94136 Ų13678%0.77775%0.748SS**  trans78.5102.815300000121.3
556F37.5Very low35Very low205 Ų205132.9 Ų132.990%0.89974%0.736SS**  trans-64.4148.7138.1-76.2-92.2000109.8
557P39.9Very low35.2Very low110 Ų110130.5 Ų130.571%0.71473%0.733SS**  -133.5152.395.61112.2000112.1
558E32.8Very low35.2Very low166 Ų166132.7 Ų132.778%0.77673%0.731SS**  71.8106.160.5-163.5-179.3-143.800114.9
559S34.6Very low35Very low111 Ų111134.8 Ų134.878%0.77674%0.736SS**  trans162.6112.114938.90000108.7
560Q30.3Very low34.9Very low164 Ų164137.3 Ų137.377%0.76674%0.744SS**  68.5100.773.1-72.6-167.42.900115.3
561C33.6Very low34.5Very low104 Ų104135 Ų13570%0.70375%0.747SS**  177.4124.9116.1-88.30000108.8
562N33.8Very low34.3Very low141 Ų141135.2 Ų135.275%0.75475%0.753SS**  66129.972.2-55-14.7000111.2
563S36.2Very low34.2Very low101 Ų101134.4 Ų134.471%0.70675%0.748SS**  cis-158.8161.56.353.80000112.9
564E32Very low34.2Very low153 Ų153138.2 Ų138.272%0.71576%0.758SS**  trans-13.5141.7149.9-56.6163.9129.700117.8
565H37.5Very low34.3Very low162 Ų162136.8 Ų136.875%0.7576%0.759SS**  -172.8113.1101-92.6-57.9000114.2
566T31.4Very low34Very low116 Ų116138.7 Ų138.771%0.71276%0.761SS**  trans17.8146.5130.9-33.30000121.9
567V38.2Very low34.1Very low122 Ų122136.2 Ų136.274%0.73976%0.756SS**  trans122.388.6151.9178.20000110.9
568Q32.6Very low33.6Very low158 Ų158139.4 Ų139.474%0.73876%0.761SS**  61.6133.382.5-79.1-163.6-4.800116.4
569N33Very low33.7Very low130 Ų130136 Ų13670%0.69576%0.762SS**  trans97.592.7153.2-60-38.4000120.5
570K34.9Very low33.9Very low192 Ų192134.6 Ų134.684%0.83577%0.765SS**  86.1116.2102.8-163.2175.7-171.6178.70118.7
571S31.7Very low34.1Very low100 Ų100137.7 Ų137.770%0.69977%0.769SS**  trans66.5122.1150.8-166.50000118.1
572T34.1Very low34.5Very low125 Ų125139.3 Ų139.377%0.76778%0.78SS**  177.1152.293.3-61.80000109.8
573D35Very low34.7Very low133 Ų133139.3 Ų139.371%0.71178%0.78SS**  trans-67.2168.5-171.1-55.2-72.6000116.9
574N31.4Very low35Very low155 Ų155140.9 Ų140.983%0.82979%0.785SS**  trans65.6104.6149.7-61.8-36.9000118.9
575C32.9Very low35.2Very low131 Ų131137 Ų13789%0.88579%0.787SS**  trans-149.8131.8133.7-148.80000112.7
576V31.5Very low35.4Very low133 Ų133134.8 Ų134.881%0.80678%0.784SS**  trans-97.6127.1178.6170.20000109.7
577L37.7Very low35.6Very low153 Ų153137.7 Ų137.780%0.80179%0.79SS**  trans-148.2115.2159.1-86.5170.7000106.7
578Q31Very low35.5Very low177 Ų177137.3 Ų137.383%0.82779%0.788SS**  40.6128.690.9-78.8-16513.100114.2
579A34.4Very low35.5Very low96 Ų96139.3 Ų139.379%0.79380%0.797SS**  cis-158.2160.95.900000111.5
580G38.5Very low35.6Very low80 Ų80141.6 Ų141.683%0.82580%0.804SS**  trans-161.287173.900000111
581R35.8Very low35.4Very low229 Ų229136.2 Ų136.286%0.86480%0.795SS**  trans-79.7135.5177.1-66.6177.8169.6-144.2-1.2110.5
582C41.2Very low35.7Very low138 Ų138137.9 Ų137.993%0.93280%0.803SS**  trans-156.6154.2141.8-105.50000109
583D38.8Very low35.8Very low141 Ų141139.3 Ų139.375%0.75481%0.806SS**  trans-122.1160.7-145.9-120.3-44.1000113.9
584V41.1Very low35.8Very low134 Ų134138.6 Ų138.681%0.81281%0.806SS**  trans70.1116.4158.8177.50000118.8
585G37.1Very low35.9Very low73 Ų73134.3 Ų134.375%0.75380%0.798SS**  trans-170.615.117500000118.7
586V41.8Very low35.9Very low114 Ų114135.5 Ų135.569%0.69180%0.796SS**  trans42.8102.5158.3-172.40000119.3
587Q34.5Very low36.5Very low178 Ų178135.1 Ų135.183%0.83279%0.794SS**  44.3134.7120-56.4174.814.300119.2
588T36.7Very low36.9Very low113 Ų113132 Ų13269%0.69379%0.79SS**  cis-148.9127.219.3-62.70000110.5E590T588-E590 HydrophobicContact CG2-CB 4.13Å
589E31.7Very low37.3Very low200 Ų200131 Ų13194%0.93579%0.79SS**  trans-78.5130.3147.7-84.6-170.1121.500108.1
590E35.1Very low37.8Very low179 Ų179132.4 Ų132.484%0.83679%0.789SS**  trans-136.1105.7155.6-157.9171.5-142.700109.2T588T588-E590 HydrophobicContact CG2-CB 4.13Å
591A32Very low38Very low79 Ų79132.6 Ų132.665%0.65378%0.783SS**  trans-68.3144169.500000109.4L593A591-L593 VanDerWaalsContact C-N 3.27Å; A591-L593 PolarHBondContact O-N 3.24Å
592P38.5Very low38.3Very low134 Ų134127.3 Ų127.387%0.8778%0.776SS**  trans-69.389.3169.928.9-32.8000109.6V594P592-V594 PolarHBondContact O-N 3.48Å
593L36Very low38.2Very low156 Ų156128.3 Ų128.382%0.81777%0.766SS**  trans-55.9113.8169.1-177.278.9000109.5A591 G595A591-L593 VanDerWaalsContact C-N 3.27Å; A591-L593 PolarHBondContact O-N 3.24Å; L593-G595 PolarHBondContact O-N 3.46Å
594V34Very low38.5Very low118 Ų118126.8 Ų126.872%0.71577%0.766SS**  trans29.666.2156.1-165.50000114.6P592 N596P592-V594 PolarHBondContact O-N 3.48Å; V594-N596 PolarHBondContact O-N 3.14Å
595G34.3Very low38.7Very low65 Ų65125.4 Ų125.467%0.6776%0.758SS**  trans-69.9108.3168.500000110L593 T597L593-G595 PolarHBondContact O-N 3.46Å; G595-T597 VanDerWaalsContact C-N 3.3Å; G595-T597 PolarHBondContact O-N 2.79Å
596N33.2Very low39.2Very low155 Ų155128.5 Ų128.583%0.82976%0.756SS**  trans-61.784.7175.5-75.1-32.6000111.5V594 A598V594-N596 PolarHBondContact O-N 3.14Å; N596-A598 PolarHBondContact O-N 3.45Å; N596-A598 VanDerWaalsContact O-N 3.08Å
597T42.4Very low39.6Very low126 Ų126130.3 Ų130.377%0.77376%0.76SS**  trans-71100.5162.151.70000107.7G595 D599G595-T597 VanDerWaalsContact C-N 3.3Å; G595-T597 PolarHBondContact O-N 2.79Å; T597-D599 PolarHBondContact O-N 2.96Å
598A46.3Very low40.2Very low86 Ų86127.6 Ų127.671%0.71176%0.755SS**  trans-59.8107.2170.100000108.8N596 V600N596-A598 PolarHBondContact O-N 3.45Å; N596-A598 VanDerWaalsContact O-N 3.08Å; A598-V600 VanDerWaalsContact C-N 3.27Å; A598-V600 PolarHBondContact O-N 3.48Å
599D40Very low40.6Very low157 Ų157133.1 Ų133.184%0.8476%0.764SS**  trans-62.192.2167.2-93-34.1000108.3T597 A601T597-D599 PolarHBondContact O-N 2.96Å; D599-A601 PolarHBondContact O-N 2.93Å
600V44.8Very low41.7Very low125 Ų125127.1 Ų127.176%0.75874%0.743SS**  trans-73.177.4165.5-176.50000107A598 V602A598-V600 VanDerWaalsContact C-N 3.27Å; A598-V600 PolarHBondContact O-N 3.48Å; V600-V602 PolarHBondContact O-N 3.47Å
601A41.9Very low42.8Very low85 Ų85124.8 Ų124.870%0.70275%0.747SS**  trans-61.2100.2168.800000108.2D599 Q603D599-A601 PolarHBondContact O-N 2.93Å; A601-Q603 VanDerWaalsContact C-N 3.27Å; A601-Q603 PolarHBondContact O-N 3.25Å
602V43.7Very low43.9Very low118 Ų118125.6 Ų125.672%0.71575%0.746SS**  trans-66.793.8170.3-179.90000107.3V600 C604V600-V602 PolarHBondContact O-N 3.47Å; V602-C604 VanDerWaalsContact C-N 3.35Å; V602-C604 PolarHBondContact O-N 2.68Å
603Q37.4Very low44.2Very low158 Ų158126.7 Ų126.774%0.73874%0.741SS**  trans-72.489.4-179.1-161.7-171.412.400109.1A601 T605A601-Q603 VanDerWaalsContact C-N 3.27Å; A601-Q603 PolarHBondContact O-N 3.25Å; Q603-T605 HydrophobicContact CG-CG2 4.11Å; Q603-T605 PolarHBondContact O-N 3.47Å
604C45.3Very low44.4Very low109 Ų109124.2 Ų124.274%0.73674%0.737SS**  trans-70.176.8174.8-71.10000111.3V602 I606V602-C604 VanDerWaalsContact C-N 3.35Å; V602-C604 PolarHBondContact O-N 2.68Å; C604-I606 PolarHBondContact O-N 3.38Å
605T45.7Very low44.4Very low105 Ų105123.8 Ų123.864%0.64474%0.74SS**  trans-76.362.6171.138.80000111.9Q603Q603-T605 HydrophobicContact CG-CG2 4.11Å; Q603-T605 PolarHBondContact O-N 3.47Å
606I48.4Very low45Very low139 Ų139126 Ų12671%0.71374%0.742SS**  trans-103.772.4161.5-53.9-178.4000108C604 T608C604-I606 PolarHBondContact O-N 3.38Å; I606-T608 HydrophobicContact CG2-CG2 3.93Å; I606-T608 PolarHBondContact O-N 2.89Å; I606-T608 VanDerWaalsContact O-N 3.15Å
607I48.9Very low45.5Very low152 Ų152124.9 Ų124.978%0.77974%0.74SS**  trans-82.978.3164.2-55.5178.4000107R609I607-R609 PolarHBondContact O-N 3.01Å
608T47.9Very low45.4Very low120 Ų120126.4 Ų126.474%0.73674%0.743SS**  trans-67101.4163.238.40000108.3I606 C610I606-T608 HydrophobicContact CG2-CG2 3.93Å; I606-T608 PolarHBondContact O-N 2.89Å; I606-T608 VanDerWaalsContact O-N 3.15Å; T608-C610 PolarHBondContact O-N 3.47Å
609R45.5Very low45.1Very low230 Ų230129.2 Ų129.287%0.86875%0.745SS**  trans-60.1102.5-179.7-168.9177.1-170.5162.61.7110.3I607 S611I607-R609 PolarHBondContact O-N 3.01Å; R609-S611 PolarHBondContact O-N 3.43Å
610C54.5Low45Very low74 Ų74132.5 Ų132.550%0.575%0.745SS.*  trans-61126.4171.8138.80000109.7T608 C612T608-C610 PolarHBondContact O-N 3.47Å; C610-C612 WeakPolarHBondContact CB-SG 3.3Å; C610-C612 PolarHBondContact O-N 3.35Å; C610-C612 WeakPolarHBondContact SG-CB 3.49Å; C610-C612 PolarHBondContact SG-N 3.48Å; C610-C612 VanDerWaalsContact SG-N 3.35Å; C610-C612 CovalentContact SG-SG 2.04Å; C610-C612 PolarHBondContact SG-SG 2.72Å
611S57.8Low44.8Very low130 Ų130135.3 Ų135.391%0.90975%0.75SS**THydrogen-bonded Turntrans-73.814.4179.4-42.20000113.7R609R609-S611 PolarHBondContact O-N 3.43Å
612C55.3Low44.7Very low95 Ų95141 Ų14164%0.64276%0.759SS**THydrogen-bonded Turntrans-116.84.6-155.7120000114.4C610C610-C612 WeakPolarHBondContact CB-SG 3.3Å; C610-C612 PolarHBondContact O-N 3.35Å; C610-C612 WeakPolarHBondContact SG-CB 3.49Å; C610-C612 PolarHBondContact SG-N 3.48Å; C610-C612 VanDerWaalsContact SG-N 3.35Å; C610-C612 CovalentContact SG-SG 2.04Å; C610-C612 PolarHBondContact SG-SG 2.72Å
613M44.2Very low44.4Very low157 Ų157144.8 Ų144.877%0.77377%0.769SS**  trans-104.9106.9175.6-73.6-99.766.800111.1
614S41.2Very low44.4Very low105 Ų105142.8 Ų142.873%0.73477%0.772SS**PPolyproline II helixtrans-57.2145.8160.934.30000110.9
615S34.6Very low44.1Very low109 Ų109143.2 Ų143.276%0.76278%0.777SS**PPolyproline II helixtrans-54.4133.1-167-166.50000114
616P46.8Very low43.5Very low112 Ų112147.1 Ų147.173%0.72779%0.787SS**PPolyproline II helixtrans-66.7137.4157.129.8-31.6000108.9L618P616-L618 PolarHBondContact O-N 2.98Å
617V43Very low43Very low130 Ų130146.5 Ų146.579%0.78879%0.792SS**PPolyproline II helixtrans-74.5123.6174.6172.30000108.6I619V617-I619 PolarHBondContact O-N 3.03Å; V617-I619 VanDerWaalsContact O-N 3.14Å
618L40.9Very low42.6Very low158 Ų158148.4 Ų148.483%0.82780%0.798SS**  trans-77.998.6-179.9-145.6167.2000108.8P616 R620P616-L618 PolarHBondContact O-N 2.98Å; L618-R620 PolarHBondContact O-N 3.14Å; L618-R620 VanDerWaalsContact O-N 3.14Å
619I39.6Very low42.2Very low146 Ų146147.3 Ų147.375%0.74980%0.801SS**  trans-68.8110.9171.7-62.5-179.8000107.7V617 E621V617-I619 PolarHBondContact O-N 3.03Å; V617-I619 VanDerWaalsContact O-N 3.14Å; I619-E621 PolarHBondContact O-N 3.48Å
620R37.7Very low42Very low226 Ų226140.5 Ų140.585%0.85380%0.802SS**  trans-85.394-178.9-175.5-175.6-166.71705.2109.4L618L618-R620 PolarHBondContact O-N 3.14Å; L618-R620 VanDerWaalsContact O-N 3.14Å
621E41.5Very low41.2Very low184 Ų184142.6 Ų142.686%0.8682%0.818SS**  trans-66.8146.7161.3-63.9-136.7139.600110I619I619-E621 PolarHBondContact O-N 3.48Å
622K37.9Very low40.4Very low203 Ų203142.7 Ų142.788%0.88382%0.817SS**  trans-124.892-159.7-178.5-169.5-179.6-172.60108.4
623E39.4Very low39.9Very low198 Ų198144 Ų14493%0.92582%0.822SS**  trans-111.5134.8174-140.2172.1-163.300110.4
624S35.6Very low39.9Very low116 Ų116144.5 Ų144.581%0.81182%0.823SS**  trans-108.4126-166.552.20000112.1
625S39.8Very low40.1Very low118 Ų118145.1 Ų145.183%0.82582%0.818SS**  trans-151.4155160.852.90000111.3
626H33.2Very low40.6Very low187 Ų187149.1 Ų149.187%0.86682%0.816SS**PPolyproline II helixtrans-74.9154.5-166.4-73.4-118.2000114.2
627P38.2Very low40.8Very low126 Ų126149.6 Ų149.682%0.81882%0.817SS**PPolyproline II helixtrans-95.4135155.434.8-27.2000111.4
628E40.2Very low41.2Very low192 Ų192147.9 Ų147.990%0.89782%0.816SS**PPolyproline II helixtrans-100.1146.2169.6-101.5-158.3152.900113
629A39.2Very low41.5Very low98 Ų98147 Ų14781%0.8181%0.813SS**  trans38.7104.4148.100000120.1
630G42.4Very low41.8Very low86 Ų86145.7 Ų145.789%0.88781%0.811SS**  trans-102.8126.8147.600000110
631S35.8Very low42.5Very low119 Ų119142 Ų14283%0.83281%0.814SS**  trans-96.4142.8178.8520000112.2
632C43Very low42.9Very low132 Ų132136.8 Ų136.889%0.89281%0.81SS**  trans-147.3125.5162.2-830000109.3
633T43Very low43.3Very low122 Ų122130.9 Ų130.975%0.74881%0.807SS**  trans-76.8172.2164.251.60000108.9
634E45Very low43.7Very low168 Ų168129.4 Ų129.479%0.78580%0.8SS**  cis-165.1176.419.4-146.7151.1-149.200110.6
635D45.6Very low44.2Very low117 Ų117131.7 Ų131.763%0.62680%0.798SS**  trans89.1116.8146.9-110.218.9000124.6
636R45.1Very low44.3Very low193 Ų193132.5 Ų132.573%0.72880%0.798SS**  101.487.6129.4-88.1177.7157.688.72.7124.5
637T51.7Low44.7Very low123 Ų123129 Ų12976%0.75579%0.792SS**  68.7135.2117.754.30000124.2
638A51Low45.3Very low93 Ų93130 Ų13077%0.76980%0.796SS**  trans75.6141.7146.400000118.9
639D46.4Very low45.6Very low141 Ų141125 Ų12575%0.75478%0.782SS**  cis-156.4164.5-22.1-139.8-47.9000110.8
640T47Very low46.1Very low117 Ų117126.8 Ų126.872%0.71878%0.778SS**  trans-37148.4177.549.30000119.9
641T52.7Low46.4Very low149 Ų149128 Ų12891%0.91477%0.773SS**  177.7133.1124.3-66.80000112.4
642G48.2Very low47Very low75 Ų75134 Ų13477%0.77380%0.795SS**  trans114.7129.9158.800000116.9
643G47.3Very low47.2Very low79 Ų79134.2 Ų134.281%0.81479%0.79SS**  trans-86.6-167.917800000114.2
644Q47.2Very low47.4Very low166 Ų166134.8 Ų134.878%0.77679%0.792SS**  cis-159.6149.69-157.6176-24.200110
645E47.4Very low47.5Very low165 Ų165132.9 Ų132.977%0.77179%0.792SS**  trans65.8121.5159.5-77.6157.9-137.300122.3
646T40.9Very low47.6Very low134 Ų134133.9 Ų133.982%0.82280%0.802SS**  trans-93.9178.3176.352.70000112.6
647P42.2Very low47.8Very low114 Ų114130.2 Ų130.274%0.7481%0.807SS**  cis-128.3142.1-7.629.9-10000114.9
648T49.9Very low47.5Very low146 Ų146130.7 Ų130.790%0.89681%0.81SS**  trans-162.7153.6160.80.60000105.7
649S47.6Very low47.3Very low87 Ų87133.4 Ų133.461%0.60881%0.813SS**  cis-161.3160.18.953.40000109.4
650N48.2Very low47.4Very low136 Ų136132.8 Ų132.873%0.72782%0.818SS**  trans40.9118.5130.7-54.4-2.6000118.4
651S49Very low47.4Very low111 Ų111134.1 Ų134.178%0.77683%0.826SS**  55.9100.768.582.40000114
652L48.1Very low46.9Very low247 Ų247132.7 Ų132.7100%1.29382%0.818SS**  trans-141.90138.8-134.5164.9000107.2

Retrieved 652 of 652 residues in 272.2 ms (Link to these results)