A0A060XRC8_ONCMY Loading...

Myozenin-2-like

AlphaFold DB , UniProt , Accession A0A060XRC8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 263 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
1M41.2Very low61.4Low244 Ų244124.6 Ų124.6100%1.20265%0.652SS**  0115.40-61.9-174.6-166.500106.2
2Q44.1Very low62.6Low199 Ų199128.5 Ų128.593%0.9365%0.651SS**  trans-116.1118.6-173.3-135.1150.931.500107.9
3E48.5Very low63.8Low151 Ų151130.6 Ų130.671%0.70665%0.653SS**  trans-60.2124.1-167.5-74.6-67.1148.400113.2D5E3-D5 PolarHBondContact O-N 3.48Å
4P57.9Low64.7Low101 Ų101129.9 Ų129.966%0.65665%0.647SS**THydrogen-bonded Turntrans-74-10.1-179.529.6-34.3000114.1C6P4-C6 PolarHBondContact O-N 3.33Å
5D57.1Low65.4Low115 Ų115127.6 Ų127.662%0.61564%0.637SS**Hα-helixtrans-75.6-25.2-172-155.427.7000113.3E3 D7 A9E3-D5 PolarHBondContact O-N 3.48Å; D5-D7 VanDerWaalsContact C-N 3.28Å; D5-D7 PolarHBondContact O-N 3.37Å; D5-A9 PolarHBondContact O-N 3.39Å
6C60.5Low66Low76 Ų76124.8 Ų124.851%0.51463%0.628SS.*Hα-helixtrans-67-29.9178.4-172.80000112.4P4 K10P4-C6 PolarHBondContact O-N 3.33Å; C6-K10 VanDerWaalsContact O-CG 3.31Å; C6-K10 WeakPolarHBondContact O-CG 3.4Å; C6-K10 PolarHBondContact O-N 3.09Å
7D68.5Low66.4Low100 Ų100124.5 Ų124.554%0.53563%0.625SS.*Hα-helixtrans-81.1-38-176.6-152.123.5000111.7D5 A9 K10 Q11D5-D7 VanDerWaalsContact C-N 3.28Å; D5-D7 PolarHBondContact O-N 3.37Å; D7-A9 PolarHBondContact O-N 3.33Å; D7-K10 PolarHBondContact O-N 3.4Å; D7-Q11 WeakPolarHBondContact O-CG 3.31Å; D7-Q11 PolarHBondContact O-N 3.21Å
8L70.9Confident66.4Low83 Ų83123.4 Ų123.444%0.43562%0.617SS.*Hα-helixtrans-66.1-38.6175.4-121.4148.3000111.9Q11 R12L8-Q11 PolarHBondContact O-N 3.45Å; L8-R12 WeakPolarHBondContact O-CB 3.38Å; L8-R12 VanDerWaalsContact O-CG 3.26Å; L8-R12 WeakPolarHBondContact O-CG 3.47Å; L8-R12 PolarHBondContact O-N 2.98Å
9A74.3Confident66.3Low58 Ų58121.3 Ų121.348%0.47961%0.608SS.*Hα-helixtrans-64.9-39.717400000112.2D5 D7 K13D5-A9 PolarHBondContact O-N 3.39Å; D7-A9 PolarHBondContact O-N 3.33Å; A9-K13 WeakPolarHBondContact O-CB 3.24Å; A9-K13 PolarHBondContact O-N 3.46Å
10K76.4Confident66.2Low129 Ų129118.7 Ų118.756%0.56160%0.6SS**Hα-helixtrans-65.4-45.5175.1-76.8173.5-176.9177.10111.8C6 D7 R12 K13 Q14C6-K10 VanDerWaalsContact O-CG 3.31Å; C6-K10 WeakPolarHBondContact O-CG 3.4Å; C6-K10 PolarHBondContact O-N 3.09Å; D7-K10 PolarHBondContact O-N 3.4Å; K10-R12 PolarHBondContact O-N 3.44Å; K10-K13 PolarHBondContact O-N 3.37Å; K10-Q14 WeakPolarHBondContact O-CB 3.32Å; K10-Q14 PolarHBondContact O-N 3.3Å
11Q75.5Confident66Low115 Ų115117.4 Ų117.454%0.53759%0.593SS.*Hα-helixtrans-61.4-43.3176.7-73.7-179.4-200112.2D7 L8 K13 Q14 L15D7-Q11 WeakPolarHBondContact O-CG 3.31Å; D7-Q11 PolarHBondContact O-N 3.21Å; L8-Q11 PolarHBondContact O-N 3.45Å; Q11-K13 PolarHBondContact O-N 2.92Å; Q11-Q14 PolarHBondContact O-N 2.93Å; Q11-L15 WeakPolarHBondContact O-CB 3.26Å; Q11-L15 PolarHBondContact O-N 2.95Å
12R75.8Confident66.9Low171 Ų171109.6 Ų109.665%0.64555%0.554SS**Hα-helixtrans-62.1-43.2175.9-75.2173.8177.2-177.41.5111.8L8 K10 Q14 L15 V16L8-R12 WeakPolarHBondContact O-CB 3.38Å; L8-R12 VanDerWaalsContact O-CG 3.26Å; L8-R12 WeakPolarHBondContact O-CG 3.47Å; L8-R12 PolarHBondContact O-N 2.98Å; K10-R12 PolarHBondContact O-N 3.44Å; R12-Q14 VanDerWaalsContact C-N 3.34Å; R12-Q14 PolarHBondContact O-N 3.46Å; R12-L15 PolarHBondContact O-N 2.94Å; R12-V16 WeakPolarHBondContact O-CB 3.42Å; R12-V16 VanDerWaalsContact O-CG2 3.24Å; R12-V16 WeakPolarHBondContact O-CG2 3.42Å; R12-V16 PolarHBondContact O-N 2.94Å
13K78.1Confident67.5Low156 Ų156110.4 Ų110.468%0.67855%0.549SS*.Hα-helixtrans-63.3-41177.5-171177.5179.8-178.90111.8A9 K10 Q11 V16 Q17A9-K13 WeakPolarHBondContact O-CB 3.24Å; A9-K13 PolarHBondContact O-N 3.46Å; K10-K13 PolarHBondContact O-N 3.37Å; Q11-K13 PolarHBondContact O-N 2.92Å; K13-V16 PolarHBondContact O-N 3.33Å; K13-Q17 VanDerWaalsContact O-CB 3.32Å; K13-Q17 WeakPolarHBondContact O-CB 3.3Å; K13-Q17 PolarHBondContact O-N 3.5Å
14Q77.1Confident67.6Low120 Ų120110.2 Ų110.256%0.56155%0.548SS*.Hα-helixtrans-67.5-41.5178.8-157.3168.91200111.6K10 Q11 R12 Q17 E18K10-Q14 WeakPolarHBondContact O-CB 3.32Å; K10-Q14 PolarHBondContact O-N 3.3Å; Q11-Q14 PolarHBondContact O-N 2.93Å; R12-Q14 VanDerWaalsContact C-N 3.34Å; R12-Q14 PolarHBondContact O-N 3.46Å; Q14-Q17 PolarHBondContact O-N 3.01Å; Q14-E18 WeakPolarHBondContact O-CG 3.5Å; Q14-E18 PolarHBondContact O-N 3.47Å
15L75.9Confident67.6Low96 Ų96109 Ų10950%0.50355%0.553SS.*Hα-helixtrans-65.3-41.2175.2-174.8143.5000112.4Q11 R12 Q17 E18 L19Q11-L15 WeakPolarHBondContact O-CB 3.26Å; Q11-L15 PolarHBondContact O-N 2.95Å; R12-L15 PolarHBondContact O-N 2.94Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; L15-E18 PolarHBondContact O-N 3.42Å; L15-L19 HydrophobicContact CD2-CD1 3.71Å; L15-L19 HydrophobicContact CD2-CG 4.46Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 2.97Å
16V75.1Confident67.4Low82 Ų82109.8 Ų109.850%0.49755%0.553SS.*Hα-helixtrans-64.8-40.2174.9170.70000110.8R12 K13 L19 C20R12-V16 WeakPolarHBondContact O-CB 3.42Å; R12-V16 VanDerWaalsContact O-CG2 3.24Å; R12-V16 WeakPolarHBondContact O-CG2 3.42Å; R12-V16 PolarHBondContact O-N 2.94Å; K13-V16 PolarHBondContact O-N 3.33Å; V16-L19 PolarHBondContact O-N 3.49Å; V16-C20 PolarHBondContact O-N 3.48Å; V16-C20 PolarHBondContact O-SG 3.5Å
17Q72.2Confident67.1Low121 Ų121114.3 Ų114.357%0.56557%0.567SS**Hα-helixtrans-63.9-44.8176.6-174.3173.42.100111.8K13 Q14 L15 L19 C20 M21K13-Q17 VanDerWaalsContact O-CB 3.32Å; K13-Q17 WeakPolarHBondContact O-CB 3.3Å; K13-Q17 PolarHBondContact O-N 3.5Å; Q14-Q17 PolarHBondContact O-N 3.01Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 3.26Å; Q17-C20 PolarHBondContact O-N 2.94Å; Q17-M21 WeakPolarHBondContact O-CG 3.17Å; Q17-M21 PolarHBondContact O-N 3.21Å; Q17-M21 VanDerWaalsContact O-N 3.09Å
18E67Low66.5Low105 Ų105117.9 Ų117.949%0.49158%0.578SS.*Hα-helixtrans-59.1-43.1174-77.6-179.3173.600112.3Q14 L15 C20 M21 E22Q14-E18 WeakPolarHBondContact O-CG 3.5Å; Q14-E18 PolarHBondContact O-N 3.47Å; L15-E18 PolarHBondContact O-N 3.42Å; E18-C20 VanDerWaalsContact C-N 3.33Å; E18-C20 PolarHBondContact O-N 3.27Å; E18-M21 PolarHBondContact O-N 2.97Å; E18-E22 PolarHBondContact O-N 3.35Å; E18-E22 VanDerWaalsContact O-N 3.14Å
19L64.3Low66Low83 Ų83120.6 Ų120.644%0.43559%0.592SS.*Hα-helixtrans-66.5-31.9176.7-71.6173.2000113.2L15 V16 Q17L15-L19 HydrophobicContact CD2-CD1 3.71Å; L15-L19 HydrophobicContact CD2-CG 4.46Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 2.97Å; V16-L19 PolarHBondContact O-N 3.49Å; Q17-L19 PolarHBondContact O-N 3.26Å
20C63Low65.6Low69 Ų69125.3 Ų125.347%0.46661%0.609SS.*Hα-helixtrans-70.5-40.2176.3-80.70000112V16 Q17 E18 E22 R23V16-C20 PolarHBondContact O-N 3.48Å; V16-C20 PolarHBondContact O-SG 3.5Å; Q17-C20 PolarHBondContact O-N 2.94Å; E18-C20 VanDerWaalsContact C-N 3.33Å; E18-C20 PolarHBondContact O-N 3.27Å; C20-E22 VanDerWaalsContact C-N 3.34Å; C20-R23 PolarHBondContact O-N 3.28Å
21M62.5Low65Low91 Ų91121.4 Ų121.445%0.44861%0.605SS.*Hα-helixtrans-67.4-33.9176.1-59.3-59.7-97.900111.6Q17 E18 R23 Q24Q17-M21 WeakPolarHBondContact O-CG 3.17Å; Q17-M21 PolarHBondContact O-N 3.21Å; Q17-M21 VanDerWaalsContact O-N 3.09Å; E18-M21 PolarHBondContact O-N 2.97Å; M21-R23 VanDerWaalsContact C-N 3.25Å; M21-R23 PolarHBondContact O-N 3.46Å; M21-Q24 PolarHBondContact O-N 3.01Å; M21-Q24 VanDerWaalsContact O-O 3.09Å
22E60.1Low64.7Low81 Ų81125.4 Ų125.438%0.37962%0.62SS.*Hα-helixtrans-63.3-26.2176-172.1174.2-177.700113.7E18 C20 R51 R54E18-E22 PolarHBondContact O-N 3.35Å; E18-E22 VanDerWaalsContact O-N 3.14Å; C20-E22 VanDerWaalsContact C-N 3.34Å; E22-R51 WeakPolarHBondContact OE1-CD 3.39Å; E22-R51 IonicContact OE1-NE 3.71Å; E22-R54 IonicContact OE2-CZ 3.89Å; E22-R54 IonicContact OE2-NH1 3.48Å; E22-R54 PolarHBondContact OE2-NH1 2.89Å
23R56.3Low64.4Low216 Ų216127.2 Ų127.282%0.81563%0.633SS**Hα-helixtrans-84.1-28.7-178.4-160.8-163.2-65.3166.2-1.5112.9C20 M21 G25C20-R23 PolarHBondContact O-N 3.28Å; M21-R23 VanDerWaalsContact C-N 3.25Å; M21-R23 PolarHBondContact O-N 3.46Å; R23-G25 PolarHBondContact O-N 3.47Å
24Q52.3Low63.7Low147 Ų147124.2 Ų124.269%0.68762%0.623SS**SBendtrans-81.490.2168.7-90.4176.1-36.700106.5M21 E26M21-Q24 PolarHBondContact O-N 3.01Å; M21-Q24 VanDerWaalsContact O-O 3.09Å; Q24-E26 PolarHBondContact O-N 3.14Å
25G55.9Low62.8Low75 Ų75124.3 Ų124.377%0.77364%0.637SS**  trans-41.196.2-174.400000112.6R23R23-G25 PolarHBondContact O-N 3.47Å
26E54.6Low62.1Low131 Ų131124.5 Ų124.561%0.61264%0.642SS**  trans-73.4143.4-179.3-82.4-160135.500108.6Q24 F28Q24-E26 PolarHBondContact O-N 3.14Å; E26-F28 PolarHBondContact O-N 3.12Å
27H53.8Low61.3Low172 Ų172126.7 Ų126.780%0.79666%0.658SS**  trans-44.2110.7166.5177.584.3000109.1D29H27-D29 PolarHBondContact O-N 3.2Å
28F55.8Low60.8Low175 Ų175126.6 Ų126.677%0.76866%0.658SS**  trans-60.9104.3173.3-66.2-78.6000107.2E26 L30E26-F28 PolarHBondContact O-N 3.12Å; F28-L30 VanDerWaalsContact C-N 3.27Å; F28-L30 HydrophobicContact CB-CD2 4Å; F28-L30 WeakPolarHBondContact O-CG 3.32Å; F28-L30 PolarHBondContact O-N 3.48Å
29D59.5Low60.7Low139 Ų139128.1 Ų128.174%0.74367%0.67SS**  trans-67.496.1168.8-173.4-1.3000106.7H27 G31H27-D29 PolarHBondContact O-N 3.2Å; D29-G31 PolarHBondContact O-N 3.01Å; D29-G31 PolarHBondContact OD1-N 3.03Å; D29-G31 VanDerWaalsContact OD1-N 3.12Å
30L66.1Low60.5Low158 Ų158126.4 Ų126.483%0.82766%0.662SS**  trans-71.16.7-179.2-61.3178.3000112.1F28F28-L30 VanDerWaalsContact C-N 3.27Å; F28-L30 HydrophobicContact CB-CD2 4Å; F28-L30 WeakPolarHBondContact O-CG 3.32Å; F28-L30 PolarHBondContact O-N 3.48Å
31G63.9Low60.5Low46 Ų46130.1 Ų130.147%0.47468%0.675SS.*  trans65175.2178.500000112.7D29 K33D29-G31 PolarHBondContact O-N 3.01Å; D29-G31 PolarHBondContact OD1-N 3.03Å; D29-G31 VanDerWaalsContact OD1-N 3.12Å; G31-K33 PolarHBondContact O-N 3.42Å
32K70.4Confident60.6Low199 Ų199131 Ų13187%0.86568%0.679SS**  trans-77125.4172.1-67178.6-177174.80108.2I34K32-I34 PolarHBondContact O-N 3.17Å
33K68.8Low61Low210 Ų210132.5 Ų132.591%0.91369%0.686SS**  trans-61106173.7-65.2-174.2179.5-174.20109.1G31G31-K33 PolarHBondContact O-N 3.42Å
34I63Low61.7Low92 Ų92126.4 Ų126.447%0.47267%0.667SS.*  trans-77.2130.4172.760.8169.7000108.9K32 V36 Q38 V40K32-I34 PolarHBondContact O-N 3.17Å; I34-V36 VanDerWaalsContact C-N 3.34Å; I34-Q38 HydrophobicContact CD1-CB 3.66Å; I34-V40 HydrophobicContact CD1-CG2 3.47Å; I34-V40 VanDerWaalsContact CD1-CG2 3.47Å
35S58.1Low62.4Low122 Ų122121.5 Ų121.585%0.85365%0.645SS**SBendtrans-86.8-7.7-177.458.20000113.3
36V61.6Low62.9Low100 Ų100123.1 Ų123.161%0.60664%0.636SS**SBendtrans-109.5134.2179.5-175.70000107.7I34 Q38I34-V36 VanDerWaalsContact C-N 3.34Å; V36-Q38 VanDerWaalsContact C-N 3.31Å; V36-Q38 PolarHBondContact O-N 3.09Å
37P58.8Low63.8Low129 Ų129120.1 Ų120.184%0.83862%0.623SS**  trans-64.795.4173.5-11.425.7000108.5
38Q61.1Low64.3Low118 Ų118121.9 Ų121.955%0.55162%0.623SS**  trans-90.6143.7165.4-165.9165.1-4.600106.2I34 V36 V40I34-Q38 HydrophobicContact CD1-CB 3.66Å; V36-Q38 VanDerWaalsContact C-N 3.31Å; V36-Q38 PolarHBondContact O-N 3.09Å; Q38-V40 HydrophobicContact CB-CG2 4.08Å; Q38-V40 WeakPolarHBondContact O-CG2 3.39Å; Q38-V40 PolarHBondContact O-N 2.72Å
39D64.5Low64.9Low138 Ų138118.7 Ų118.774%0.73862%0.623SS**  trans-7268.9174.9-73.8-34000109.7M41D39-M41 PolarHBondContact O-N 3.05Å
40V61.1Low65.9Low46 Ų46116 Ų11628%0.27961%0.608SS.*Hα-helixtrans-61.6-11.2178.9169.10000111.6I34 Q38 M42 E43 E44I34-V40 HydrophobicContact CD1-CG2 3.47Å; I34-V40 VanDerWaalsContact CD1-CG2 3.47Å; Q38-V40 HydrophobicContact CB-CG2 4.08Å; Q38-V40 WeakPolarHBondContact O-CG2 3.39Å; Q38-V40 PolarHBondContact O-N 2.72Å; V40-M42 VanDerWaalsContact C-N 3.25Å; V40-M42 PolarHBondContact O-N 3.26Å; V40-E43 PolarHBondContact O-N 3.14Å; V40-E44 HydrophobicContact CB-CG 4.43Å; V40-E44 HydrophobicContact CG1-CB 4.37Å; V40-E44 HydrophobicContact CG1-CG 3.15Å; V40-E44 WeakPolarHBondContact O-CG 3.44Å; V40-E44 PolarHBondContact O-N 3.42Å
41M62.8Low66.5Low148 Ų148116.5 Ų116.573%0.72960%0.599SS**Hα-helixtrans-63.9-26.4-172-55-152.8-66.100113.7D39 L45D39-M41 PolarHBondContact O-N 3.05Å; M41-L45 WeakPolarHBondContact O-CD1 3.39Å; M41-L45 WeakPolarHBondContact O-CG 3.17Å
42M63.1Low67.4Low108 Ų108115.8 Ų115.853%0.53259%0.592SS.*Hα-helixtrans-102.4-33.6177.8-66.5-59.3-64.200113.3V40 L45 N46V40-M42 VanDerWaalsContact C-N 3.25Å; V40-M42 PolarHBondContact O-N 3.26Å; M42-L45 PolarHBondContact O-N 3.44Å; M42-L45 HydrophobicContact SD-CD1 4.48Å; M42-N46 PolarHBondContact O-N 3.42Å; M42-N46 PolarHBondContact O-ND2 3.46Å; M42-N46 VanDerWaalsContact O-ND2 3.15Å
43E68.9Low68Low114 Ų114106.4 Ų106.453%0.53355%0.551SS.*Hα-helixtrans-67.5-43.9-178.1-170.2172.1178.300111.5V40 L45 N46 L47V40-E43 PolarHBondContact O-N 3.14Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 3.48Å; E43-N46 WeakPolarHBondContact O-CB 3.49Å; E43-N46 PolarHBondContact O-N 3.39Å; E43-L47 PolarHBondContact O-N 2.97Å
44E70.8Confident68.6Low88 Ų8899.2 Ų99.241%0.41152%0.518SS..Hα-helixtrans-65-32.2176.1-64.1-67.6147.200112.3V40 N46 L47 S53V40-E44 HydrophobicContact CB-CG 4.43Å; V40-E44 HydrophobicContact CG1-CB 4.37Å; V40-E44 HydrophobicContact CG1-CG 3.15Å; V40-E44 WeakPolarHBondContact O-CG 3.44Å; V40-E44 PolarHBondContact O-N 3.42Å; E44-N46 PolarHBondContact O-N 3.4Å; E44-L47 WeakPolarHBondContact O-CB 3.43Å; E44-L47 PolarHBondContact O-N 2.89Å; E44-L47 WeakPolarHBondContact OE2-CD1 3.31Å; E44-S53 VanDerWaalsContact O-CB 3.29Å; E44-S53 WeakPolarHBondContact O-CB 3.43Å
45L66.8Low69.7Low44 Ų4498.7 Ų98.723%0.2352%0.515CS..Hα-helixtrans-72.2-17176.5-67.2-178.8000113M41 M42 E43 S53 Y56 Q57M41-L45 WeakPolarHBondContact O-CD1 3.39Å; M41-L45 WeakPolarHBondContact O-CG 3.17Å; M42-L45 PolarHBondContact O-N 3.44Å; M42-L45 HydrophobicContact SD-CD1 4.48Å; E43-L45 VanDerWaalsContact C-N 3.27Å; E43-L45 PolarHBondContact O-N 3.48Å; L45-S53 VanDerWaalsContact O-CB 3.32Å; L45-S53 WeakPolarHBondContact O-CB 3.48Å; L45-Y56 HydrophobicContact CB-CD1 3.85Å; L45-Y56 HydrophobicContact CB-CE1 4.09Å; L45-Y56 HydrophobicContact CB-CG 4.47Å; L45-Y56 HydrophobicContact CD1-CD1 3.98Å; L45-Y56 HydrophobicContact CD1-CD2 4.1Å; L45-Y56 HydrophobicContact CD1-CE1 3.9Å; L45-Y56 HydrophobicContact CD1-CE2 4.03Å; L45-Y56 HydrophobicContact CD1-CG 4.07Å; L45-Y56 HydrophobicContact CD2-CD1 4.21Å; L45-Y56 HydrophobicContact CD2-CD2 4.49Å; L45-Y56 HydrophobicContact CD2-CG 3.97Å; L45-Y56 HydrophobicContact CG-CD1 4.24Å; L45-Y56 HydrophobicContact CG-CG 4.41Å; L45-Q57 PolarHBondContact O-NE2 3.05Å
46N67.8Low71.1Confident108 Ų10896.4 Ų96.458%0.57849%0.488SS*.Hα-helixtrans-89.7-14.6174.5-68.8-33.2000112.9M42 E43 E44 R48M42-N46 PolarHBondContact O-N 3.42Å; M42-N46 PolarHBondContact O-ND2 3.46Å; M42-N46 VanDerWaalsContact O-ND2 3.15Å; E43-N46 WeakPolarHBondContact O-CB 3.49Å; E43-N46 PolarHBondContact O-N 3.39Å; E44-N46 PolarHBondContact O-N 3.4Å; N46-R48 PolarHBondContact O-N 2.76Å
47L74Confident72.2Confident68 Ų6894.4 Ų94.436%0.35647%0.472SS..  trans-63.4132.3175.8-61.3177.4000110.2E43 E44 S53E43-L47 PolarHBondContact O-N 2.97Å; E44-L47 WeakPolarHBondContact O-CB 3.43Å; E44-L47 PolarHBondContact O-N 2.89Å; E44-L47 WeakPolarHBondContact OE2-CD1 3.31Å; L47-S53 WeakPolarHBondContact O-CB 3.27Å; L47-S53 PolarHBondContact O-OG 2.79Å
48R62.7Low73.5Confident210 Ų21092.6 Ų92.679%0.79245%0.453SS*.SBendtrans-86.6-9.9-178.7-72.9-177.8159.2-157.7-2.5114.3N46N46-R48 PolarHBondContact O-N 2.76Å
49S69.3Low74.9Confident108 Ų10894.4 Ų94.476%0.75545%0.454SS*.SBendtrans-88.1-30.1-175.6530000113.6
50N79.5Confident75.9Confident81 Ų8191.3 Ų91.343%0.43344%0.435SS..  trans-80.7137.6-175.9-170.2-37.7000111.5G52 S53 R54N50-G52 VanDerWaalsContact C-N 3.29Å; N50-G52 PolarHBondContact O-N 3.4Å; N50-G52 PolarHBondContact OD1-N 3.1Å; N50-S53 PolarHBondContact O-N 3.35Å; N50-S53 PolarHBondContact O-OG 3.27Å; N50-R54 WeakPolarHBondContact O-CG 3.49Å; N50-R54 PolarHBondContact O-N 3.44Å
51R79.6Confident77.1Confident169 Ų16995.1 Ų95.164%0.63845%0.448SS*.Hα-helixtrans-59.7-38.5174.8-174.8175.1176.7-167.20.7112.5E22 R54 M55E22-R51 WeakPolarHBondContact OE1-CD 3.39Å; E22-R51 IonicContact OE1-NE 3.71Å; R51-R54 PolarHBondContact O-N 3.32Å; R51-M55 WeakPolarHBondContact O-CG 3.27Å; R51-M55 PolarHBondContact O-N 2.81Å
52G82.2Confident78.4Confident32 Ų3293.8 Ų93.833%0.3344%0.435SS..Hα-helixtrans-63.3-44.4-179.500000113.3N50 M55 Y56N50-G52 VanDerWaalsContact C-N 3.29Å; N50-G52 PolarHBondContact O-N 3.4Å; N50-G52 PolarHBondContact OD1-N 3.1Å; G52-M55 PolarHBondContact O-N 3.38Å; G52-Y56 PolarHBondContact O-N 3.3Å
53S82.7Confident79.5Confident1 Ų192.1 Ų92.11%0.00743%0.431CS..Hα-helixtrans-68.6-37.5177.756.30000112.3E44 L45 L47 N50 Y56 Q57E44-S53 VanDerWaalsContact O-CB 3.29Å; E44-S53 WeakPolarHBondContact O-CB 3.43Å; L45-S53 VanDerWaalsContact O-CB 3.32Å; L45-S53 WeakPolarHBondContact O-CB 3.48Å; L47-S53 WeakPolarHBondContact O-CB 3.27Å; L47-S53 PolarHBondContact O-OG 2.79Å; N50-S53 PolarHBondContact O-N 3.35Å; N50-S53 PolarHBondContact O-OG 3.27Å; S53-Y56 WeakPolarHBondContact O-CB 3.25Å; S53-Y56 PolarHBondContact O-N 3.47Å; S53-Q57 WeakPolarHBondContact O-CG 3.43Å; S53-Q57 PolarHBondContact O-N 2.75Å
54R83.1Confident80.2Confident60 Ų6091.9 Ų91.923%0.22643%0.429CS..Hα-helixtrans-62.4-47172.3-69.1174.171.9-158.82.1111.8E22 N50 R51 Y56 Q57 E58E22-R54 IonicContact OE2-CZ 3.89Å; E22-R54 IonicContact OE2-NH1 3.48Å; E22-R54 PolarHBondContact OE2-NH1 2.89Å; N50-R54 WeakPolarHBondContact O-CG 3.49Å; N50-R54 PolarHBondContact O-N 3.44Å; R51-R54 PolarHBondContact O-N 3.32Å; R54-Y56 VanDerWaalsContact C-N 3.27Å; R54-Y56 PolarHBondContact O-N 3.17Å; R54-Q57 PolarHBondContact O-N 3.06Å; R54-E58 WeakPolarHBondContact O-CG 3.41Å; R54-E58 PolarHBondContact O-N 3.11Å
55M86.3Confident80.5Confident81 Ų8197.2 Ų97.240%0.39945%0.446SS..Hα-helixtrans-60.1-38.9175.3-72.1-163.8-4500112.1R51 G52 E58 R59R51-M55 WeakPolarHBondContact O-CG 3.27Å; R51-M55 PolarHBondContact O-N 2.81Å; G52-M55 PolarHBondContact O-N 3.38Å; M55-E58 PolarHBondContact O-N 2.78Å; M55-R59 WeakPolarHBondContact O-CB 3.45Å; M55-R59 VanDerWaalsContact O-CG 3.22Å; M55-R59 WeakPolarHBondContact O-CG 3.36Å; M55-R59 PolarHBondContact O-N 3Å
56Y86.1Confident80.5Confident74 Ų74103.1 Ų103.129%0.2947%0.47SS..Hα-helixtrans-62.7-48.3175.8174.6-103.1000111.6L45 G52 S53 R54 E58 R59 Q60L45-Y56 HydrophobicContact CB-CD1 3.85Å; L45-Y56 HydrophobicContact CB-CE1 4.09Å; L45-Y56 HydrophobicContact CB-CG 4.47Å; L45-Y56 HydrophobicContact CD1-CD1 3.98Å; L45-Y56 HydrophobicContact CD1-CD2 4.1Å; L45-Y56 HydrophobicContact CD1-CE1 3.9Å; L45-Y56 HydrophobicContact CD1-CE2 4.03Å; L45-Y56 HydrophobicContact CD1-CG 4.07Å; L45-Y56 HydrophobicContact CD2-CD1 4.21Å; L45-Y56 HydrophobicContact CD2-CD2 4.49Å; L45-Y56 HydrophobicContact CD2-CG 3.97Å; L45-Y56 HydrophobicContact CG-CD1 4.24Å; L45-Y56 HydrophobicContact CG-CG 4.41Å; G52-Y56 PolarHBondContact O-N 3.3Å; S53-Y56 WeakPolarHBondContact O-CB 3.25Å; S53-Y56 PolarHBondContact O-N 3.47Å; R54-Y56 VanDerWaalsContact C-N 3.27Å; R54-Y56 PolarHBondContact O-N 3.17Å; Y56-E58 PolarHBondContact O-N 2.54Å; Y56-R59 WeakPolarHBondContact O-CB 3.22Å; Y56-R59 PolarHBondContact O-N 3.42Å; Y56-R59 VanDerWaalsContact O-N 3.12Å; Y56-Q60 HydrophobicContact CD1-CG 4.41Å; Y56-Q60 HydrophobicContact CE1-CG 4.02Å; Y56-Q60 HydrophobicContact CE2-CG 4.31Å; Y56-Q60 WeakPolarHBondContact O-CG 3.45Å; Y56-Q60 PolarHBondContact O-N 2.91Å; Y56-Q60 PolarHBondContact OH-NE2 3.44Å
57Q84.6Confident80.5Confident57 Ų57102.3 Ų102.327%0.26647%0.469SS..Hα-helixtrans-62.6-40.2176.9-69.9173.819.100112.4L45 S53 R54 R59 Q60 K61L45-Q57 PolarHBondContact O-NE2 3.05Å; S53-Q57 WeakPolarHBondContact O-CG 3.43Å; S53-Q57 PolarHBondContact O-N 2.75Å; R54-Q57 PolarHBondContact O-N 3.06Å; Q57-R59 VanDerWaalsContact C-N 3.32Å; Q57-R59 PolarHBondContact O-N 3.26Å; Q57-Q60 PolarHBondContact O-N 3.46Å; Q57-K61 WeakPolarHBondContact O-CG 3.29Å; Q57-K61 PolarHBondContact O-N 3.12Å
58E86.9Confident79.9Confident92 Ų92106.3 Ų106.343%0.4349%0.49SS..Hα-helixtrans-65.4-36.2173.8-69.8-172.3172.300112.3R54 M55 Y56 K61 R62R54-E58 WeakPolarHBondContact O-CG 3.41Å; R54-E58 PolarHBondContact O-N 3.11Å; M55-E58 PolarHBondContact O-N 2.78Å; Y56-E58 PolarHBondContact O-N 2.54Å; E58-K61 PolarHBondContact O-N 3.48Å; E58-R62 VanDerWaalsContact O-CG 3.27Å; E58-R62 WeakPolarHBondContact O-CG 3.46Å; E58-R62 PolarHBondContact O-N 3.22Å; E58-R62 PolarHBondContact O-NH1 3.29Å; E58-R62 IonicContact OE2-CZ 3.9Å; E58-R62 IonicContact OE2-NH1 3.01Å; E58-R62 PolarHBondContact OE2-NH1 3.19Å; E58-R62 IonicContact OE2-NH2 3.78Å; E58-R62 PolarHBondContact OE2-NH2 2.84Å
59R89.6Confident79.6Confident156 Ų156104.4 Ų104.459%0.58949%0.49SS*.Hα-helixtrans-63.9-44.1173.2-74.9170.8-175.5-171.82.2110.7M55 Y56 Q57 K61 R62 V63M55-R59 WeakPolarHBondContact O-CB 3.45Å; M55-R59 VanDerWaalsContact O-CG 3.22Å; M55-R59 WeakPolarHBondContact O-CG 3.36Å; M55-R59 PolarHBondContact O-N 3Å; Y56-R59 WeakPolarHBondContact O-CB 3.22Å; Y56-R59 PolarHBondContact O-N 3.42Å; Y56-R59 VanDerWaalsContact O-N 3.12Å; Q57-R59 VanDerWaalsContact C-N 3.32Å; Q57-R59 PolarHBondContact O-N 3.26Å; R59-K61 PolarHBondContact O-N 3.36Å; R59-R62 WeakPolarHBondContact O-CB 3.13Å; R59-R62 PolarHBondContact O-N 2.94Å; R59-R62 VanDerWaalsContact O-N 3.16Å; R59-V63 VanDerWaalsContact O-CG2 3.31Å; R59-V63 WeakPolarHBondContact O-CG2 3.12Å; R59-V63 PolarHBondContact O-N 3.47Å
60Q86.1Confident78.9Confident72 Ų72106.2 Ų106.234%0.33649%0.491SS..Hα-helixtrans-58.4-46.9174.4-68-58.1-27.300111.6Y56 Q57 R62 V63 E64Y56-Q60 HydrophobicContact CD1-CG 4.41Å; Y56-Q60 HydrophobicContact CE1-CG 4.02Å; Y56-Q60 HydrophobicContact CE2-CG 4.31Å; Y56-Q60 WeakPolarHBondContact O-CG 3.45Å; Y56-Q60 PolarHBondContact O-N 2.91Å; Y56-Q60 PolarHBondContact OH-NE2 3.44Å; Q57-Q60 PolarHBondContact O-N 3.46Å; Q60-R62 VanDerWaalsContact C-N 3.31Å; Q60-R62 PolarHBondContact O-N 3.47Å; Q60-V63 WeakPolarHBondContact O-CB 3.37Å; Q60-V63 PolarHBondContact O-N 3.16Å; Q60-V63 VanDerWaalsContact O-N 3.12Å; Q60-E64 WeakPolarHBondContact O-CG 2.9Å; Q60-E64 PolarHBondContact O-N 2.89Å
61K86.4Confident77.6Confident127 Ų127108.9 Ų108.955%0.55251%0.51SS*.Hα-helixtrans-61.2-36.7175.3-71.4177.5-177.8179.60113.3Q57 E58 R59 R65Q57-K61 WeakPolarHBondContact O-CG 3.29Å; Q57-K61 PolarHBondContact O-N 3.12Å; E58-K61 PolarHBondContact O-N 3.48Å; R59-K61 PolarHBondContact O-N 3.36Å; K61-R65 VanDerWaalsContact O-CG 3.27Å; K61-R65 WeakPolarHBondContact O-CG 3.49Å; K61-R65 PolarHBondContact O-N 3.5Å
62R90.1Very high76.2Confident120 Ų120104.4 Ų104.445%0.45351%0.51SS..Hα-helixtrans-65.7-47.2174-73.1175.4-167.2103.52.1109.9E58 R59 Q60 R65 F66E58-R62 VanDerWaalsContact O-CG 3.27Å; E58-R62 WeakPolarHBondContact O-CG 3.46Å; E58-R62 PolarHBondContact O-N 3.22Å; E58-R62 PolarHBondContact O-NH1 3.29Å; E58-R62 IonicContact OE2-CZ 3.9Å; E58-R62 IonicContact OE2-NH1 3.01Å; E58-R62 PolarHBondContact OE2-NH1 3.19Å; E58-R62 IonicContact OE2-NH2 3.78Å; E58-R62 PolarHBondContact OE2-NH2 2.84Å; R59-R62 WeakPolarHBondContact O-CB 3.13Å; R59-R62 PolarHBondContact O-N 2.94Å; R59-R62 VanDerWaalsContact O-N 3.16Å; Q60-R62 VanDerWaalsContact C-N 3.31Å; Q60-R62 PolarHBondContact O-N 3.47Å; R62-R65 WeakPolarHBondContact O-CB 3.32Å; R62-R65 PolarHBondContact O-N 3.44Å; R62-F66 HydrophobicContact CB-CE2 4.33Å; R62-F66 WeakPolarHBondContact O-CD2 3.48Å; R62-F66 PolarHBondContact O-N 3.49Å
63V86.2Confident74.6Confident72 Ų72108.1 Ų108.144%0.43653%0.528SS..Hα-helixtrans-55.3-53.9175.9171.20000110.1R59 Q60 R65 F66 T67R59-V63 VanDerWaalsContact O-CG2 3.31Å; R59-V63 WeakPolarHBondContact O-CG2 3.12Å; R59-V63 PolarHBondContact O-N 3.47Å; Q60-V63 WeakPolarHBondContact O-CB 3.37Å; Q60-V63 PolarHBondContact O-N 3.16Å; Q60-V63 VanDerWaalsContact O-N 3.12Å; V63-R65 PolarHBondContact O-N 3.36Å; V63-F66 CarbonylContact O-C 3.5Å; V63-F66 WeakPolarHBondContact O-CA 3.47Å; V63-F66 PolarHBondContact O-N 2.93Å; V63-T67 HydrophobicContact CG1-CG2 3.76Å; V63-T67 WeakPolarHBondContact O-CG2 3.41Å; V63-T67 PolarHBondContact O-N 3.3Å; V63-T67 PolarHBondContact O-OG1 3.16Å
64E83.7Confident72.6Confident109 Ų109114.4 Ų114.451%0.50956%0.562SS.*Hα-helixtrans-53.3-40.4179.2-73.1171.7-177.600112.6Q60 F66 T67 L68Q60-E64 WeakPolarHBondContact O-CG 2.9Å; Q60-E64 PolarHBondContact O-N 2.89Å; E64-F66 VanDerWaalsContact C-N 3.3Å; E64-F66 PolarHBondContact O-N 3.28Å; E64-T67 WeakPolarHBondContact CA-OG1 3.44Å; E64-T67 PolarHBondContact O-OG1 2.98Å; E64-L68 WeakPolarHBondContact O-CB 3.45Å; E64-L68 WeakPolarHBondContact O-CD1 3.31Å; E64-L68 WeakPolarHBondContact O-CG 3.48Å; E64-L68 PolarHBondContact O-N 3.21Å
65R76.3Confident70.7Confident201 Ų201116.7 Ų116.776%0.75858%0.582SS**Hα-helixtrans-65.4-30176.3-73.9173.3179.3-159-1.3113.9K61 R62 V63K61-R65 VanDerWaalsContact O-CG 3.27Å; K61-R65 WeakPolarHBondContact O-CG 3.49Å; K61-R65 PolarHBondContact O-N 3.5Å; R62-R65 WeakPolarHBondContact O-CB 3.32Å; R62-R65 PolarHBondContact O-N 3.44Å; V63-R65 PolarHBondContact O-N 3.36Å
66F67.6Low68.6Low168 Ų168120.8 Ų120.874%0.73760%0.6SS**Hα-helixtrans-98.5-17-178.6-63.2-62000113.1R62 V63 E64R62-F66 HydrophobicContact CB-CE2 4.33Å; R62-F66 WeakPolarHBondContact O-CD2 3.48Å; R62-F66 PolarHBondContact O-N 3.49Å; V63-F66 CarbonylContact O-C 3.5Å; V63-F66 WeakPolarHBondContact O-CA 3.47Å; V63-F66 PolarHBondContact O-N 2.93Å; E64-F66 VanDerWaalsContact C-N 3.3Å; E64-F66 PolarHBondContact O-N 3.28Å
67T67.8Low66.2Low91 Ų91127.3 Ų127.356%0.55862%0.624SS**Hα-helixtrans-91.3-10.817651.20000113.3V63 E64 E69V63-T67 HydrophobicContact CG1-CG2 3.76Å; V63-T67 WeakPolarHBondContact O-CG2 3.41Å; V63-T67 PolarHBondContact O-N 3.3Å; V63-T67 PolarHBondContact O-OG1 3.16Å; E64-T67 WeakPolarHBondContact CA-OG1 3.44Å; E64-T67 PolarHBondContact O-OG1 2.98Å; T67-E69 PolarHBondContact O-N 3Å
68L60.5Low64Low152 Ų152131 Ų13180%0.79665%0.65SS**  trans-83.832.7177.9-76.7173.2000114.3E64E64-L68 WeakPolarHBondContact O-CB 3.45Å; E64-L68 WeakPolarHBondContact O-CD1 3.31Å; E64-L68 WeakPolarHBondContact O-CG 3.48Å; E64-L68 PolarHBondContact O-N 3.21Å
69E57.3Low61.6Low169 Ų169132.5 Ų132.579%0.7967%0.665SS**  trans-11689.8161.8-161.2173.9-157.600108.3T67T67-E69 PolarHBondContact O-N 3Å
70N53.7Low59.1Low146 Ų146130.3 Ų130.378%0.78167%0.671SS**  trans162.961.6146.6-83.2-18.3000111.7
71V53Low56.7Low137 Ų137135 Ų13583%0.8369%0.693SS**  trans-129.693134.9-177.30000104.2
72A50.3Low54.3Low76 Ų76135.7 Ų135.763%0.62870%0.703SS**  trans-52.4128.7159.900000106.4D74A72-D74 VanDerWaalsContact C-N 3.31Å; A72-D74 PolarHBondContact O-N 2.88Å
73P48.6Very low52.3Low110 Ų110134.7 Ų134.771%0.71471%0.712SS**  trans-63.5103.7166.125.4-29.5000106.1T75P73-T75 PolarHBondContact O-N 3.31Å; P73-T75 PolarHBondContact O-OG1 3.12Å
74D39.4Very low49.8Very low133 Ų133140.7 Ų140.771%0.71174%0.735SS**  trans-48.6109.5173-101.3-33.2000107.7A72 H76A72-D74 VanDerWaalsContact C-N 3.31Å; A72-D74 PolarHBondContact O-N 2.88Å; D74-H76 PolarHBondContact O-N 2.93Å
75T44Very low47.5Very low108 Ų108144.3 Ų144.366%0.66375%0.752SS**  trans-78.875.4178.1-54.20000106.1P73 R77P73-T75 PolarHBondContact O-N 3.31Å; P73-T75 PolarHBondContact O-OG1 3.12Å; T75-R77 HydrophobicContact CG2-CB 4.01Å; T75-R77 HydrophobicContact CG2-CG 3.65Å; T75-R77 PolarHBondContact O-N 2.85Å
76H41.8Very low45.9Very low166 Ų166139.3 Ų139.377%0.76975%0.745SS**  trans-74.965.4159.1-68.9-61.5000108.5D74 V78D74-H76 PolarHBondContact O-N 2.93Å; H76-V78 PolarHBondContact O-N 3.49Å
77R36.6Very low44Very low211 Ų211137.5 Ų137.580%0.79674%0.743SS**  trans-82.8107159.3-74.8-178.178.7147.22.6106.5T75 V79T75-R77 HydrophobicContact CG2-CB 4.01Å; T75-R77 HydrophobicContact CG2-CG 3.65Å; T75-R77 PolarHBondContact O-N 2.85Å; R77-V79 PolarHBondContact O-N 3.12Å; R77-V79 VanDerWaalsContact O-N 3.16Å
78V38.3Very low42.5Very low134 Ų134141.2 Ų141.281%0.81275%0.754SS**PPolyproline II helixtrans-49116.7165.3174.60000108.3H76H76-V78 PolarHBondContact O-N 3.49Å
79V36Very low41.1Very low124 Ų124138.4 Ų138.475%0.75275%0.747SS**PPolyproline II helixtrans-83.2130.6164.3174.70000107.4R77R77-V79 PolarHBondContact O-N 3.12Å; R77-V79 VanDerWaalsContact O-N 3.16Å
80P38.2Very low39.9Very low110 Ų110135.9 Ų135.971%0.71475%0.748SS**PPolyproline II helixtrans-103132.8146-4.724.4000109.9
81H35.4Very low38.8Very low170 Ų170133.8 Ų133.879%0.78775%0.745SS**  trans-29.4144.8156.4-91.6-95.7000113
82D36Very low37.7Very low142 Ų142133.2 Ų133.276%0.75973%0.733SS**  cis-170.5177.349.3-13313.4000110.6
83P48.7Very low36.9Very low99 Ų99137 Ų13764%0.64374%0.743SS**  trans-101.7156.9-149.939.1-38.2000116
84Q33.3Very low36.3Very low198 Ų198139.5 Ų139.593%0.92575%0.745SS**  trans-172.4118137.9-107.8168.1-3000111.7
85Q33.8Very low35.9Very low185 Ų185137 Ų13786%0.86475%0.75SS**  trans-73.4177.1158.5-94-169.8-34.400110.4
86P44.3Very low35.2Very low96 Ų96136.6 Ų136.662%0.62376%0.758SS**  cis-144.4-179.81434.5-9.9000117.7
87D26.7Very low34.9Very low130 Ų130137 Ų13770%0.69577%0.765SS**  trans83.4131.7144-61.6-26.2000126.1
88H37.1Very low34.9Very low169 Ų169135.8 Ų135.878%0.78277%0.768SS**  trans131.695137.3-67-62.9000118.3
89S31Very low34.6Very low93 Ų93141.5 Ų141.565%0.6578%0.775SS**  44.7134.4122.9620000124.6
90S32.3Very low34.4Very low117 Ų117138.5 Ų138.582%0.81877%0.77SS**  trans74.9155140.379.90000117.5
91S30.2Very low34.5Very low101 Ų101142.5 Ų142.571%0.70678%0.776SS**  cis-177.1155.1-14.7175.60000105.4
92H30.7Very low34.6Very low126 Ų126140 Ų14058%0.58377%0.768SS**  trans60.4120.7153.5-109.258.5000120.8Q94H92-Q94 PolarHBondContact NE2-NE2 3.16Å
93N32.9Very low34.8Very low155 Ų155140 Ų14083%0.82977%0.768SS**  -165.3142.696.7-99-44.3000114
94Q35.9Very low34.3Very low163 Ų163145 Ų14576%0.76278%0.776SS**  trans-78.6152.4177.7-58.5170.735.500110.6H92H92-Q94 PolarHBondContact NE2-NE2 3.16Å
95G31Very low34.4Very low80 Ų80142.4 Ų142.483%0.82576%0.763SS**  trans-161.982.317100000110.8
96A29.9Very low34.8Very low100 Ų100139.1 Ų139.183%0.82676%0.756SS**  trans-68130.4172.300000111
97L34.7Very low35.1Very low174 Ų174141.8 Ų141.891%0.91176%0.76SS**  trans-143.3109151-103.6143000108.3
98Q36Very low35.9Very low186 Ų186140.7 Ų140.787%0.86976%0.758SS**  trans-51.8144.6162.7-72.9162.62.800110.1
99R32.9Very low36.1Very low254 Ų254143.2 Ų143.296%0.95876%0.762SS**  162.6114.8125.6-174.6173.8-161.9-167.63.6110.3
100G31.2Very low36.8Very low61 Ų61145.2 Ų145.263%0.62976%0.764SS**  trans151.349.2169.100000115.5N102G100-N102 PolarHBondContact O-N 3.33Å
101K40.4Very low37.4Very low194 Ų194142 Ų14284%0.84375%0.749SS**  trans-78.1106.9162.9-83.9176172.7175.50107.6
102N38.3Very low38.3Very low117 Ų117146.3 Ų146.363%0.62676%0.758SS**  trans-104.974.5174.3-50.8-2.7000108G100 Y104G100-N102 PolarHBondContact O-N 3.33Å; N102-Y104 PolarHBondContact O-N 3.47Å
103N38.8Very low39Very low141 Ų141145.8 Ų145.875%0.75477%0.766SS**  trans-77.1109.1164-72-15000107H105N103-H105 VanDerWaalsContact C-N 3.32Å; N103-H105 PolarHBondContact O-N 3.23Å
104Y39.9Very low39.5Very low206 Ų206141.5 Ų141.581%0.80876%0.758SS**  trans-74.491.5166.4-63.4-77.4000108.3N102N102-Y104 PolarHBondContact O-N 3.47Å
105H34.8Very low40.5Very low142 Ų142145.6 Ų145.666%0.65777%0.766SS**  trans-8799.9165-170.938.3000107.6N103 E107N103-H105 VanDerWaalsContact C-N 3.32Å; N103-H105 PolarHBondContact O-N 3.23Å; H105-E107 WeakPolarHBondContact CD2-CG 3.39Å; H105-E107 IonicContact CD2-OE1 2.75Å; H105-E107 PolarHBondContact CD2-OE1 2.88Å; H105-E107 VanDerWaalsContact NE2-CD 3.32Å; H105-E107 VanDerWaalsContact NE2-CG 3.26Å; H105-E107 WeakPolarHBondContact NE2-CG 3.44Å; H105-E107 IonicContact NE2-OE1 3.47Å; H105-E107 PolarHBondContact NE2-OE1 3.23Å; H105-E107 IonicContact NE2-OE2 3.3Å; H105-E107 PolarHBondContact O-N 3.4Å; H105-E107 VanDerWaalsContact O-N 3.12Å
106T42.7Very low41.9Very low117 Ų117148.7 Ų148.772%0.71876%0.764SS**  trans-79.789.1173.6-52.60000108.6V108T106-V108 HydrophobicContact CG2-CG2 3.93Å; T106-V108 PolarHBondContact O-N 3.29Å
107E49.2Very low43.3Very low152 Ų152148.1 Ų148.171%0.7175%0.754SS**  trans-79.993170.2-57.7-166.3-124.400108.8H105 Y109H105-E107 WeakPolarHBondContact CD2-CG 3.39Å; H105-E107 IonicContact CD2-OE1 2.75Å; H105-E107 PolarHBondContact CD2-OE1 2.88Å; H105-E107 VanDerWaalsContact NE2-CD 3.32Å; H105-E107 VanDerWaalsContact NE2-CG 3.26Å; H105-E107 WeakPolarHBondContact NE2-CG 3.44Å; H105-E107 IonicContact NE2-OE1 3.47Å; H105-E107 PolarHBondContact NE2-OE1 3.23Å; H105-E107 IonicContact NE2-OE2 3.3Å; H105-E107 PolarHBondContact O-N 3.4Å; H105-E107 VanDerWaalsContact O-N 3.12Å; E107-Y109 PolarHBondContact O-N 3.4Å; E107-Y109 VanDerWaalsContact O-N 3.14Å
108V43.2Very low44.2Very low107 Ų107146.7 Ų146.765%0.64875%0.747SS**  trans-74.3100.2170.3-175.10000107.8T106 I110T106-V108 HydrophobicContact CG2-CG2 3.93Å; T106-V108 PolarHBondContact O-N 3.29Å; V108-I110 HydrophobicContact CG1-CD1 4.27Å; V108-I110 HydrophobicContact CG1-CG1 3.68Å; V108-I110 PolarHBondContact O-N 3.39Å
109Y41.6Very low45.2Very low221 Ų221142.9 Ų142.987%0.86774%0.736SS**  trans-70.693.5169-166.1-93.8000109.3E107 G111E107-Y109 PolarHBondContact O-N 3.4Å; E107-Y109 VanDerWaalsContact O-N 3.14Å; Y109-G111 PolarHBondContact O-N 3.07Å
110I46.5Very low46.4Very low136 Ų136140.9 Ų140.970%0.69773%0.728SS**  trans-86.6103.8168.9-55.9-178.8000107.2V108 Q112V108-I110 HydrophobicContact CG1-CD1 4.27Å; V108-I110 HydrophobicContact CG1-CG1 3.68Å; V108-I110 PolarHBondContact O-N 3.39Å; I110-Q112 PolarHBondContact O-N 3.27Å
111G44.8Very low47.5Very low48 Ų48141.7 Ų141.750%0.49572%0.724SS.*PPolyproline II helixtrans-55.6129165.800000109.7Y109 P113Y109-G111 PolarHBondContact O-N 3.07Å; G111-P113 VanDerWaalsContact O-CD 3.3Å; G111-P113 WeakPolarHBondContact O-CD 3.19Å
112Q48.2Very low48.3Very low192 Ų192137 Ų13790%0.89771%0.708SS**PPolyproline II helixtrans-57.5118.9178.9-68.5-173.2-17.700110.3I110I110-Q112 PolarHBondContact O-N 3.27Å
113P46.7Very low49.2Very low115 Ų115138.7 Ų138.775%0.74771%0.71SS**PPolyproline II helixtrans-79.4130.7172.121.7-13.3000109.3G111 R115G111-P113 VanDerWaalsContact O-CD 3.3Å; G111-P113 WeakPolarHBondContact O-CD 3.19Å; P113-R115 PolarHBondContact O-N 3.35Å
114G43.7Very low50.1Low65 Ų65138.2 Ų138.267%0.6771%0.708SS**PPolyproline II helixtrans-46.9132.417900000113.2N116G114-N116 VanDerWaalsContact C-N 3.34Å; G114-N116 PolarHBondContact O-N 3.35Å
115R55.6Low50.9Low249 Ų249132.4 Ų132.494%0.9469%0.693SS**SBendtrans-71.978.5177.3-69.9177.9160.9-175-3.8111.1P113P113-R115 PolarHBondContact O-N 3.35Å
116N60.9Low51.9Low146 Ų146130.5 Ų130.578%0.78169%0.687SS**SBendtrans173.677.6167.743.9-10.4000112.9G114G114-N116 VanDerWaalsContact C-N 3.34Å; G114-N116 PolarHBondContact O-N 3.35Å
117S58.8Low52.4Low88 Ų88129.5 Ų129.562%0.61569%0.691SS**SBendtrans-164.1-23.8151.6-159.10000114.9V119 R120 S121S117-V119 PolarHBondContact O-N 2.94Å; S117-R120 PolarHBondContact O-N 2.83Å; S117-S121 PolarHBondContact O-N 3.43Å
118L55Low52.8Low144 Ų144124 Ų12475%0.75467%0.669SS**Hα-helixtrans-69.5-35.5-171.5-60.9178000113.3R120 L122L118-R120 PolarHBondContact O-N 3.19Å; L118-L122 WeakPolarHBondContact O-CB 3.43Å; L118-L122 PolarHBondContact O-N 3.25Å
119V56.7Low53.5Low106 Ų106127.5 Ų127.564%0.64268%0.675SS**Hα-helixtrans-70.8-30.3-176.8-176.20000112.4S117 K123S117-V119 PolarHBondContact O-N 2.94Å; V119-K123 WeakPolarHBondContact O-CG 3.49Å; V119-K123 PolarHBondContact O-N 2.79Å
120R56.6Low54.3Low211 Ų211119.9 Ų119.980%0.79666%0.664SS**Hα-helixtrans-78.7-37.5179.1-158.5174-160.9151.93.3111.7S117 L118 L122 K123S117-R120 PolarHBondContact O-N 2.83Å; L118-R120 PolarHBondContact O-N 3.19Å; R120-L122 VanDerWaalsContact C-N 3.35Å; R120-K123 PolarHBondContact O-N 3.18Å
121S54.9Low54.9Low78 Ų78118.2 Ų118.255%0.54566%0.656SS.*Hα-helixtrans-67.1-35.6174.6-137.10000112.2S117 N124 T125S117-S121 PolarHBondContact O-N 3.43Å; S121-N124 PolarHBondContact O-N 3.42Å; S121-T125 PolarHBondContact O-N 3.29Å; S121-T125 PolarHBondContact O-OG1 3.3Å
122L57.2Low55.8Low96 Ų96120.2 Ų120.250%0.50366%0.661SS.*Hα-helixtrans-63.3-39.5174.7-105.5146.5000113.2L118 R120 N124 T125 I126L118-L122 WeakPolarHBondContact O-CB 3.43Å; L118-L122 PolarHBondContact O-N 3.25Å; R120-L122 VanDerWaalsContact C-N 3.35Å; L122-N124 VanDerWaalsContact C-N 3.29Å; L122-N124 PolarHBondContact O-N 3.31Å; L122-T125 VanDerWaalsContact CA-OG1 3.31Å; L122-T125 WeakPolarHBondContact CA-OG1 3.33Å; L122-T125 PolarHBondContact O-N 2.95Å; L122-T125 PolarHBondContact O-OG1 3.2Å; L122-T125 VanDerWaalsContact O-OG1 3.1Å; L122-I126 HydrophobicContact CD2-CD1 3.9Å; L122-I126 HydrophobicContact CD2-CG1 4.25Å; L122-I126 VanDerWaalsContact O-CD1 3.25Å; L122-I126 WeakPolarHBondContact O-CD1 3.45Å; L122-I126 WeakPolarHBondContact O-CG1 3.33Å; L122-I126 PolarHBondContact O-N 2.91Å; L122-I126 VanDerWaalsContact O-N 3.17Å
123K58.3Low56.4Low152 Ų152114.7 Ų114.766%0.66164%0.643SS**Hα-helixtrans-64.4-32.8-179.9-72.3178.5-178.4-1730113V119 R120V119-K123 WeakPolarHBondContact O-CG 3.49Å; V119-K123 PolarHBondContact O-N 2.79Å; R120-K123 PolarHBondContact O-N 3.18Å
124N57.4Low57.4Low132 Ų132113.1 Ų113.171%0.70663%0.631SS**Hα-helixtrans-80.6-25178.2-71.8-1.6000113.1S121 L122S121-N124 PolarHBondContact O-N 3.42Å; L122-N124 VanDerWaalsContact C-N 3.29Å; L122-N124 PolarHBondContact O-N 3.31Å
125T56.1Low58.2Low83 Ų83116.9 Ų116.951%0.50964%0.635SS.*Hα-helixtrans-87.8-22.9-178.134.80000113.8S121 L122 S128S121-T125 PolarHBondContact O-N 3.29Å; S121-T125 PolarHBondContact O-OG1 3.3Å; L122-T125 VanDerWaalsContact CA-OG1 3.31Å; L122-T125 WeakPolarHBondContact CA-OG1 3.33Å; L122-T125 PolarHBondContact O-N 2.95Å; L122-T125 PolarHBondContact O-OG1 3.2Å; L122-T125 VanDerWaalsContact O-OG1 3.1Å; T125-S128 PolarHBondContact O-OG 3.18Å
126I55.1Low58.6Low103 Ų103107 Ų10753%0.52861%0.606SS.*Hα-helixtrans-73.1-27.9179.3-64.2159.4000111.8L122 K129L122-I126 HydrophobicContact CD2-CD1 3.9Å; L122-I126 HydrophobicContact CD2-CG1 4.25Å; L122-I126 VanDerWaalsContact O-CD1 3.25Å; L122-I126 WeakPolarHBondContact O-CD1 3.45Å; L122-I126 WeakPolarHBondContact O-CG1 3.33Å; L122-I126 PolarHBondContact O-N 2.91Å; L122-I126 VanDerWaalsContact O-N 3.17Å; I126-K129 WeakPolarHBondContact O-CB 3.13Å
127A54.3Low58.9Low96 Ų96105.2 Ų105.279%0.79360%0.603SS**THydrogen-bonded Turntrans-77.7-17.1179.500000114.1
128S57.1Low59.2Low35 Ų35104.4 Ų104.425%0.24561%0.608CS.*THydrogen-bonded Turntrans-100.414.2179.249.20000113.6T125 G130T125-S128 PolarHBondContact O-OG 3.18Å; S128-G130 VanDerWaalsContact C-N 3.29Å; S128-G130 PolarHBondContact O-N 3.46Å
129K58.8Low59.5Low182 Ų182106.2 Ų106.279%0.79161%0.606SS**THydrogen-bonded Turntrans-72.875.3-174.4-163.8-179.2-174.5-175.40111.4I126I126-K129 WeakPolarHBondContact O-CB 3.13Å
130G58Low59.9Low60 Ų60108.6 Ų108.662%0.61962%0.615SS**THydrogen-bonded Turntrans166.6-18.8173.300000115.2S128 P132S128-G130 VanDerWaalsContact C-N 3.29Å; S128-G130 PolarHBondContact O-N 3.46Å; G130-P132 WeakPolarHBondContact O-CD 3.17Å
131N58.8Low60.4Low102 Ų102100.3 Ų100.355%0.54560%0.596SS.*  trans-94.7114.6-178.7-75-24.2000111S133 V134N131-S133 PolarHBondContact O-N 3.15Å; N131-S133 VanDerWaalsContact O-N 3.16Å; N131-V134 HydrophobicContact CB-CG2 4.31Å; N131-V134 PolarHBondContact O-N 3.19Å; N131-V134 VanDerWaalsContact O-N 3.16Å
132P63.5Low61.1Low90 Ų90102.1 Ų102.158%0.58461%0.606SS**Hα-helixtrans-63.3-22.7-17825.4-33.8000112.9G130 V134 L135 A136G130-P132 WeakPolarHBondContact O-CD 3.17Å; P132-V134 PolarHBondContact O-N 2.88Å; P132-L135 PolarHBondContact O-N 3.25Å; P132-A136 PolarHBondContact O-N 2.87Å
133S61.8Low61.6Low75 Ų75104.2 Ų104.252%0.52462%0.617SS.*Hα-helixtrans-66.5-19.117756.80000114.6N131 P137N131-S133 PolarHBondContact O-N 3.15Å; N131-S133 VanDerWaalsContact O-N 3.16Å; S133-P137 WeakPolarHBondContact O-CA 3.06Å; S133-P137 WeakPolarHBondContact O-CG 3.41Å
134V66.5Low61.8Low82 Ų82106.7 Ų106.750%0.49763%0.628SS.*Hα-helixtrans-95.6-32.8179.8-176.60000111.6N131 P132N131-V134 HydrophobicContact CB-CG2 4.31Å; N131-V134 PolarHBondContact O-N 3.19Å; N131-V134 VanDerWaalsContact O-N 3.16Å; P132-V134 PolarHBondContact O-N 2.88Å
135L61.4Low62.2Low144 Ų144109.4 Ų109.475%0.75464%0.636SS**Hα-helixtrans-78-34.1-179.3-68.2171.8000112.7P132P132-L135 PolarHBondContact O-N 3.25Å
136A63.6Low62.8Low41 Ų41109.7 Ų109.734%0.33964%0.638SS.*SBendtrans-145.379.9174.600000109.7P132 G138 Y139P132-A136 PolarHBondContact O-N 2.87Å; A136-G138 PolarHBondContact O-N 3.16Å; A136-G138 VanDerWaalsContact O-N 3.11Å; A136-Y139 PolarHBondContact O-N 2.9Å
137P66.5Low63.6Low110 Ų110109.8 Ų109.871%0.71465%0.645SS**THydrogen-bonded Turntrans-54.7118.7175.5-21.731.7000110.2S133S133-P137 WeakPolarHBondContact O-CA 3.06Å; S133-P137 WeakPolarHBondContact O-CG 3.41Å
138G65.4Low64.3Low70 Ų70112.2 Ų112.272%0.72264%0.64SS**THydrogen-bonded Turntrans104.8-11.1-176.100000115.4A136 N140A136-G138 PolarHBondContact O-N 3.16Å; A136-G138 VanDerWaalsContact O-N 3.11Å; G138-N140 PolarHBondContact O-N 3.45Å
139Y61.3Low64.8Low182 Ų182117.6 Ų117.671%0.71466%0.661SS**  trans-93.982.7174.2-124.2-95.8000110A136 G141A136-Y139 PolarHBondContact O-N 2.9Å; Y139-G141 PolarHBondContact O-N 2.9Å
140N64.3Low65.2Low156 Ų156119 Ų11983%0.83466%0.661SS**  trans-76.849.7179.9-74.5-45.5000113.2G138G138-N140 PolarHBondContact O-N 3.45Å
141G68.2Low65.2Low38 Ų38123.3 Ų123.339%0.39266%0.663SS.*SBendtrans73.4-176.4179.600000114.2Y139 L143Y139-G141 PolarHBondContact O-N 2.9Å; G141-L143 PolarHBondContact O-N 2.66Å
142P69.8Low65Low115 Ų115124.5 Ų124.575%0.74767%0.67SS**SBendtrans-54.6137.5176.5-18.930.3000109.3K144P142-K144 VanDerWaalsContact C-N 3.25Å; P142-K144 PolarHBondContact O-N 3.02Å
143L67.8Low64.7Low141 Ų141126.5 Ų126.574%0.73868%0.68SS**  trans-53.181.5-175.5-64.1165.5000111.7G141 E145 V146G141-L143 PolarHBondContact O-N 2.66Å; L143-E145 PolarHBondContact O-N 2.87Å; L143-V146 HydrophobicContact CB-CB 4.01Å; L143-V146 HydrophobicContact CB-CG2 3.76Å; L143-V146 HydrophobicContact CD1-CG2 3.96Å; L143-V146 HydrophobicContact CD2-CG2 4.48Å; L143-V146 HydrophobicContact CG-CG2 4.27Å; L143-V146 PolarHBondContact O-N 3.29Å
144K61.9Low64.5Low204 Ų204128.5 Ų128.589%0.88769%0.689SS**THydrogen-bonded Turntrans-66.9-21.2179.1-83.1-178.7176.6-1790112.2P142P142-K144 VanDerWaalsContact C-N 3.25Å; P142-K144 PolarHBondContact O-N 3.02Å
145E66.2Low63.9Low188 Ų188130.3 Ų130.388%0.87970%0.7SS**THydrogen-bonded Turntrans-91.3-13.6-179.5-63.9-170.1-177.300113.5L143 P147L143-E145 PolarHBondContact O-N 2.87Å; E145-P147 WeakPolarHBondContact O-CD 3.35Å
146V68.2Low63.8Low90 Ų90129.3 Ų129.355%0.54569%0.694SS.*SBendtrans-76.8111170.2174.50000106.3L143 H148L143-V146 HydrophobicContact CB-CB 4.01Å; L143-V146 HydrophobicContact CB-CG2 3.76Å; L143-V146 HydrophobicContact CD1-CG2 3.96Å; L143-V146 HydrophobicContact CD2-CG2 4.48Å; L143-V146 HydrophobicContact CG-CG2 4.27Å; L143-V146 PolarHBondContact O-N 3.29Å; V146-H148 PolarHBondContact O-N 2.83Å
147P73.2Confident63.4Low105 Ų105130.7 Ų130.768%0.68270%0.7SS**  trans-55.1136.6175.122.9-30.9000107.5E145 E149E145-P147 WeakPolarHBondContact O-CD 3.35Å; P147-E149 PolarHBondContact O-N 2.71Å
148H68.4Low62.9Low147 Ų147136.3 Ų136.368%0.68171%0.713SS**  trans-48.7123.3175.652.7-101000107.8V146 R150V146-H148 PolarHBondContact O-N 2.83Å; H148-R150 PolarHBondContact O-N 3.06Å
149E68.1Low62.8Low147 Ų147137.7 Ų137.769%0.68771%0.712SS**  trans-58.1108.5175.7-174.7173.2-175.500106.5P147 F151P147-E149 PolarHBondContact O-N 2.71Å; E149-F151 HydrophobicContact CB-CD2 4.29Å; E149-F151 HydrophobicContact CG-CD2 3.71Å; E149-F151 HydrophobicContact CG-CE2 3.88Å; E149-F151 PolarHBondContact O-N 3.46Å; E149-F151 VanDerWaalsContact OE1-CE2 3.26Å; E149-F151 WeakPolarHBondContact OE1-CE2 3.26Å; E149-F151 WeakPolarHBondContact OE1-CZ 3.28Å; E149-F151 VanDerWaalsContact OE2-CE2 3.28Å; E149-F151 WeakPolarHBondContact OE2-CE2 3.49Å
150R66.1Low63Low211 Ų211136.9 Ų136.980%0.79671%0.708SS**  trans-74.570.2170.9-70.7-163.9-95.5176.7-6.6106.5H148 N152H148-R150 PolarHBondContact O-N 3.06Å; R150-N152 PolarHBondContact O-N 3.31Å
151F58.4Low63.1Low152 Ų152133.3 Ų133.367%0.66770%0.695SS**  trans-45.8122.1157.5-94.8-82.5000105.6E149 V153E149-F151 HydrophobicContact CB-CD2 4.29Å; E149-F151 HydrophobicContact CG-CD2 3.71Å; E149-F151 HydrophobicContact CG-CE2 3.88Å; E149-F151 PolarHBondContact O-N 3.46Å; E149-F151 VanDerWaalsContact OE1-CE2 3.26Å; E149-F151 WeakPolarHBondContact OE1-CE2 3.26Å; E149-F151 WeakPolarHBondContact OE1-CZ 3.28Å; E149-F151 VanDerWaalsContact OE2-CE2 3.28Å; E149-F151 WeakPolarHBondContact OE2-CE2 3.49Å; F151-V153 PolarHBondContact O-N 3.39Å
152N55.3Low63.2Low127 Ų127133 Ų13368%0.67969%0.686SS**  trans-54.5102.1-177.4-65-53000108.2R150 T154R150-N152 PolarHBondContact O-N 3.31Å; N152-T154 PolarHBondContact O-N 2.97Å
153V56.7Low63.1Low132 Ų132131.7 Ų131.780%0.868%0.678SS**SBendtrans-63.54.7171.7179.70000110.9F151F151-V153 PolarHBondContact O-N 3.39Å
154T56.8Low62.8Low116 Ų116134 Ų13471%0.71268%0.677SS**  trans-112.354.1179.460.20000111.3N152N152-T154 PolarHBondContact O-N 2.97Å
155V54.6Low62.9Low120 Ų120129 Ų12973%0.72766%0.657SS**  trans-128.738.1150.3-152.40000109.6P157V155-P157 WeakPolarHBondContact O-CD 3.15Å
156I60.2Low62.7Low124 Ų124125.8 Ų125.864%0.63664%0.644SS**SBendtrans-75.4103.5144-60.7167.7000102.9K158I156-K158 PolarHBondContact O-N 2.78Å
157P53.6Low62.2Low70 Ų70127.3 Ų127.346%0.45565%0.646SS.*  trans-53.7133.4171.124.4-31.8000106V155 S159 Y160V155-P157 WeakPolarHBondContact O-CD 3.15Å; P157-S159 PolarHBondContact O-N 3.28Å; P157-Y160 PolarHBondContact O-N 3.01Å
158K57.3Low61.4Low227 Ų227127.9 Ų127.999%0.98764%0.639SS**THydrogen-bonded Turntrans-56.64.2178.1-68.3179.5175.5178.90113.7I156I156-K158 PolarHBondContact O-N 2.78Å
159S63Low60.8Low100 Ų100128.3 Ų128.370%0.69964%0.641SS**THydrogen-bonded Turntrans-111.6-6177.958.70000114.8P157 C161P157-S159 PolarHBondContact O-N 3.28Å; S159-C161 VanDerWaalsContact C-N 3.33Å; S159-C161 PolarHBondContact O-N 3.14Å
160Y65.7Low60.5Low164 Ų164127.2 Ų127.264%0.64364%0.64SS**  trans-72.495.3172.3-176.1-99.1000108.9P157P157-Y160 PolarHBondContact O-N 3.01Å
161C65.1Low60.1Low81 Ų81120.6 Ų120.655%0.54764%0.637SS.*  trans-97.4122.1168.6-160.40000107.4S159S159-C161 VanDerWaalsContact C-N 3.33Å; S159-C161 PolarHBondContact O-N 3.14Å
162S70.6Confident60.3Low31 Ų31117.7 Ų117.722%0.21763%0.629CS.*  trans-61.5128.8174.8174.10000108.9W164 Q165S162-W164 PolarHBondContact O-N 2.82Å; S162-W164 PolarHBondContact OG-N 3.38Å; S162-Q165 WeakPolarHBondContact O-CB 3.49Å; S162-Q165 PolarHBondContact O-N 3.32Å
163P68.1Low60.8Low89 Ų89112.8 Ų112.858%0.57860%0.604SS**Hα-helixtrans-55.5-27175.5-23.632.1000112.6Q165P163-Q165 VanDerWaalsContact C-N 3.29Å; P163-Q165 PolarHBondContact O-N 3.06Å
164W61.9Low61.4Low189 Ų189112.1 Ų112.172%0.71660%0.596SS**Hα-helixtrans-71.9-20.9177.4-54.4102.3000113.3S162 I166 Q167 H168S162-W164 PolarHBondContact O-N 2.82Å; S162-W164 PolarHBondContact OG-N 3.38Å; W164-I166 VanDerWaalsContact C-N 3.34Å; W164-Q167 PolarHBondContact O-N 3.45Å; W164-H168 PolarHBondContact O-CD2 2.78Å; W164-H168 VanDerWaalsContact O-CD2 3.28Å
165Q63.5Low62.1Low98 Ų98113.8 Ų113.846%0.45859%0.594SS.*Hα-helixtrans-74.3-25.7179.7-160.9163.9-19.500112.4S162 P163 Q167 H168 H169S162-Q165 WeakPolarHBondContact O-CB 3.49Å; S162-Q165 PolarHBondContact O-N 3.32Å; P163-Q165 VanDerWaalsContact C-N 3.29Å; P163-Q165 PolarHBondContact O-N 3.06Å; Q165-Q167 PolarHBondContact O-N 3.11Å; Q165-H168 PolarHBondContact O-N 2.76Å; Q165-H169 PolarHBondContact O-N 3.15Å
166I61.7Low62.9Low121 Ų121112 Ų11262%0.62158%0.58SS**Hα-helixtrans-62-35.5173.9-59.3173.2000110.5W164 H168 H169 N170W164-I166 VanDerWaalsContact C-N 3.34Å; I166-H168 VanDerWaalsContact C-N 3.34Å; I166-H169 PolarHBondContact O-N 3.26Å; I166-N170 PolarHBondContact O-N 3.06Å
167Q58.1Low63.4Low122 Ų122110.5 Ų110.557%0.5757%0.572SS**Hα-helixtrans-73.5-25.7179.6-167.8156.7-1.900113.1W164 Q165W164-Q167 PolarHBondContact O-N 3.45Å; Q165-Q167 PolarHBondContact O-N 3.11Å
168H57Low64.4Low118 Ų118110.8 Ų110.855%0.54658%0.576SS.*Hα-helixtrans-76.4-27.3173.9-75.2-80.1000113.3W164 Q165 I166 S173W164-H168 PolarHBondContact O-CD2 2.78Å; W164-H168 VanDerWaalsContact O-CD2 3.28Å; Q165-H168 PolarHBondContact O-N 2.76Å; I166-H168 VanDerWaalsContact C-N 3.34Å; H168-S173 WeakPolarHBondContact O-CB 3.18Å; H168-S173 PolarHBondContact O-OG 2.7Å
169H55.8Low65.3Low155 Ų155102.1 Ų102.172%0.71855%0.547SS*.Hα-helixtrans-89.1-20-178.2-94.2-78.7000114.8Q165 I166 G171Q165-H169 PolarHBondContact O-N 3.15Å; I166-H169 PolarHBondContact O-N 3.26Å; H169-G171 PolarHBondContact O-N 3.23Å; H169-G171 VanDerWaalsContact O-N 3.11Å
170N60.1Low66Low125 Ų125101.5 Ų101.567%0.66854%0.535SS*.SBendtrans-68.7108.1165.3-167.82.8000105.9I166 N172 S173I166-N170 PolarHBondContact O-N 3.06Å; N170-N172 PolarHBondContact O-N 2.83Å; N170-S173 PolarHBondContact O-N 3.24Å
171G58.5Low66.3Low72 Ų7298.1 Ų98.174%0.74254%0.535SS*.THydrogen-bonded Turntrans-60.429.3-161.700000118.1H169H169-G171 PolarHBondContact O-N 3.23Å; H169-G171 VanDerWaalsContact O-N 3.11Å
172N62Low66.7Low91 Ų9198 Ų9849%0.48754%0.54SS..THydrogen-bonded Turntrans-106.13.6173.5-132.714.9000112.1N170 D174 K175 L176N170-N172 PolarHBondContact O-N 2.83Å; N172-D174 PolarHBondContact O-N 3.05Å; N172-K175 PolarHBondContact O-N 2.93Å; N172-K175 WeakPolarHBondContact OD1-CD 3.45Å; N172-L176 VanDerWaalsContact O-CB 3.29Å; N172-L176 WeakPolarHBondContact O-CB 3.41Å; N172-L176 PolarHBondContact O-N 3.24Å
173S67.1Low66.8Low23 Ų23104.1 Ų104.116%0.16157%0.565CS.*Hα-helixtrans-60.5-42.1-179.6510000112.1H168 N170 K175 L176 L177H168-S173 WeakPolarHBondContact O-CB 3.18Å; H168-S173 PolarHBondContact O-OG 2.7Å; N170-S173 PolarHBondContact O-N 3.24Å; S173-K175 PolarHBondContact O-N 3.18Å; S173-L176 PolarHBondContact O-N 3.05Å; S173-L177 WeakPolarHBondContact O-CB 3.46Å; S173-L177 VanDerWaalsContact O-CG 3.23Å; S173-L177 WeakPolarHBondContact O-CG 3.39Å; S173-L177 PolarHBondContact O-N 3.48Å
174D69.1Low67Low119 Ų119105.2 Ų105.264%0.63657%0.565SS**Hα-helixtrans-64.1-40.6176.6-66-28.2000112.2N172 S178N172-D174 PolarHBondContact O-N 3.05Å; D174-S178 VanDerWaalsContact O-CB 3.3Å; D174-S178 WeakPolarHBondContact O-CB 3.38Å; D174-S178 PolarHBondContact O-N 3.04Å; D174-S178 PolarHBondContact O-OG 2.85Å
175K70.6Confident67.4Low150 Ų150101.6 Ų101.665%0.65257%0.566SS**Hα-helixtrans-68.4-37.6175.5-68.6-172.1-172167.30112N172 S173 S178 A179N172-K175 PolarHBondContact O-N 2.93Å; N172-K175 WeakPolarHBondContact OD1-CD 3.45Å; S173-K175 PolarHBondContact O-N 3.18Å; K175-S178 PolarHBondContact O-N 3.38Å; K175-A179 WeakPolarHBondContact O-CB 3.49Å; K175-A179 PolarHBondContact O-N 3.05Å
176L71.3Confident67.7Low83 Ų83105.4 Ų105.444%0.43558%0.584SS.*Hα-helixtrans-70.1-42.4178.1-175.6142.6000111.6N172 S173 S178 A179 I180N172-L176 VanDerWaalsContact O-CB 3.29Å; N172-L176 WeakPolarHBondContact O-CB 3.41Å; N172-L176 PolarHBondContact O-N 3.24Å; S173-L176 PolarHBondContact O-N 3.05Å; L176-S178 VanDerWaalsContact C-N 3.33Å; L176-A179 PolarHBondContact O-N 3.27Å; L176-I180 HydrophobicContact CD2-CD1 3.48Å; L176-I180 VanDerWaalsContact CD2-CD1 3.48Å; L176-I180 HydrophobicContact CD2-CG1 4.44Å; L176-I180 HydrophobicContact CG-CD1 4.23Å; L176-I180 WeakPolarHBondContact O-CB 3.09Å; L176-I180 VanDerWaalsContact O-CG1 3.25Å; L176-I180 WeakPolarHBondContact O-CG1 3.2Å; L176-I180 PolarHBondContact O-N 2.87Å
177L71Confident67.7Low93 Ų93106.7 Ų106.749%0.48759%0.591SS.*Hα-helixtrans-62.8-40.8172.5-71.9172.3000111.3S173 I180 S181S173-L177 WeakPolarHBondContact O-CB 3.46Å; S173-L177 VanDerWaalsContact O-CG 3.23Å; S173-L177 WeakPolarHBondContact O-CG 3.39Å; S173-L177 PolarHBondContact O-N 3.48Å; L177-I180 PolarHBondContact O-N 2.97Å; L177-S181 VanDerWaalsContact O-CB 3.31Å; L177-S181 WeakPolarHBondContact O-CB 3.4Å; L177-S181 PolarHBondContact O-N 3.04Å
178S74.7Confident68.1Low76 Ų76106.4 Ų106.453%0.53160%0.6SS.*Hα-helixtrans-63.6-43.7175.5-570000111.9D174 K175 L176 S181 A182D174-S178 VanDerWaalsContact O-CB 3.3Å; D174-S178 WeakPolarHBondContact O-CB 3.38Å; D174-S178 PolarHBondContact O-N 3.04Å; D174-S178 PolarHBondContact O-OG 2.85Å; K175-S178 PolarHBondContact O-N 3.38Å; L176-S178 VanDerWaalsContact C-N 3.33Å; S178-S181 PolarHBondContact O-N 2.98Å; S178-A182 WeakPolarHBondContact O-CB 3.46Å; S178-A182 PolarHBondContact O-N 3.25Å
179A77.5Confident68.4Low45 Ų45109 Ų10937%0.37261%0.613SS.*Hα-helixtrans-65.1-43.4176.500000112.1K175 L176 A182 H183K175-A179 WeakPolarHBondContact O-CB 3.49Å; K175-A179 PolarHBondContact O-N 3.05Å; L176-A179 PolarHBondContact O-N 3.27Å; A179-A182 PolarHBondContact O-N 2.8Å; A179-H183 PolarHBondContact O-CD2 3.1Å; A179-H183 PolarHBondContact O-N 3.31Å; A179-H183 VanDerWaalsContact O-N 3.1Å
180I76.2Confident68.6Low87 Ų87111.6 Ų111.645%0.44662%0.621SS.*Hα-helixtrans-61.9-45.5175.5-70.4170.5000110.4L176 L177 A182 H183 L184L176-I180 HydrophobicContact CD2-CD1 3.48Å; L176-I180 VanDerWaalsContact CD2-CD1 3.48Å; L176-I180 HydrophobicContact CD2-CG1 4.44Å; L176-I180 HydrophobicContact CG-CD1 4.23Å; L176-I180 WeakPolarHBondContact O-CB 3.09Å; L176-I180 VanDerWaalsContact O-CG1 3.25Å; L176-I180 WeakPolarHBondContact O-CG1 3.2Å; L176-I180 PolarHBondContact O-N 2.87Å; L177-I180 PolarHBondContact O-N 2.97Å; I180-A182 VanDerWaalsContact C-N 3.29Å; I180-A182 PolarHBondContact O-N 2.73Å; I180-H183 PolarHBondContact O-N 2.82Å; I180-L184 HydrophobicContact CG2-CD1 3.81Å; I180-L184 VanDerWaalsContact O-CD1 3.25Å; I180-L184 WeakPolarHBondContact O-CD1 3.26Å; I180-L184 PolarHBondContact O-N 3.02Å; I180-L184 VanDerWaalsContact O-N 3.1Å
181S72.7Confident68.5Low92 Ų92111.9 Ų111.964%0.64362%0.622SS**Hα-helixtrans-65.2-32.2178.8-169.40000112.7L177 S178L177-S181 VanDerWaalsContact O-CB 3.31Å; L177-S181 WeakPolarHBondContact O-CB 3.4Å; L177-S181 PolarHBondContact O-N 3.04Å; S178-S181 PolarHBondContact O-N 2.98Å
182A73.5Confident68.7Low80 Ų80113.7 Ų113.766%0.66162%0.619SS**Hα-helixtrans-75-26.2177.600000113.1S178 A179 I180S178-A182 WeakPolarHBondContact O-CB 3.46Å; S178-A182 PolarHBondContact O-N 3.25Å; A179-A182 PolarHBondContact O-N 2.8Å; I180-A182 VanDerWaalsContact C-N 3.29Å; I180-A182 PolarHBondContact O-N 2.73Å
183H71.5Confident68.6Low159 Ų159115.2 Ų115.274%0.73663%0.634SS**Hα-helixtrans-95.5-5.4178.8-68.1-54.6000114A179 I180 P185A179-H183 PolarHBondContact O-CD2 3.1Å; A179-H183 PolarHBondContact O-N 3.31Å; A179-H183 VanDerWaalsContact O-N 3.1Å; I180-H183 PolarHBondContact O-N 2.82Å; H183-P185 WeakPolarHBondContact O-CD 3.22Å
184L73.6Confident68.1Low112 Ų112118.2 Ų118.259%0.58665%0.648SS**SBendtrans-74.6123.6172.6-108.678.3000109.4I180 E186I180-L184 HydrophobicContact CG2-CD1 3.81Å; I180-L184 VanDerWaalsContact O-CD1 3.25Å; I180-L184 WeakPolarHBondContact O-CD1 3.26Å; I180-L184 PolarHBondContact O-N 3.02Å; I180-L184 VanDerWaalsContact O-N 3.1Å; L184-E186 PolarHBondContact O-N 3.04Å
185P70.9Confident67.7Low113 Ų113120.6 Ų120.673%0.73466%0.661SS**PPolyproline II helixtrans-55.6137.8169-19.331.1000109.1H183 L187H183-P185 WeakPolarHBondContact O-CD 3.22Å; P185-L187 PolarHBondContact O-N 3.21Å
186E69.8Low67.2Low178 Ų178121.9 Ų121.983%0.83266%0.663SS**PPolyproline II helixtrans-53120.4173.9-170.8176.217400108.4L184 P188L184-E186 PolarHBondContact O-N 3.04Å; E186-P188 VanDerWaalsContact O-N 3.15Å
187L61.5Low66.7Low147 Ų147129.2 Ų129.277%0.7769%0.685SS**PPolyproline II helixtrans-55.2124.8179.3-79.1167000107.2P185 Q189P185-L187 PolarHBondContact O-N 3.21Å; L187-Q189 PolarHBondContact O-N 2.92Å
188P65.2Low66.3Low116 Ų116127.9 Ų127.975%0.75368%0.683SS**PPolyproline II helixtrans-52.9125.2179.518.4-29.2000108E186 K190E186-P188 VanDerWaalsContact O-N 3.15Å; P188-K190 PolarHBondContact O-N 2.69Å; P188-K190 VanDerWaalsContact O-N 3.08Å
189Q64.4Low65.6Low174 Ų174133.1 Ų133.181%0.81370%0.696SS**  trans-39.5120.9-179.1-119.3175.911.500108.3L187 L191L187-Q189 PolarHBondContact O-N 2.92Å; Q189-L191 VanDerWaalsContact C-N 3.31Å; Q189-L191 PolarHBondContact O-N 2.82Å
190K59.8Low64.9Low208 Ų208138.3 Ų138.390%0.90472%0.718SS**  trans-50.1100.4-176.5-168.7-178.9-172.7178.70107.4P188 T192P188-K190 PolarHBondContact O-N 2.69Å; P188-K190 VanDerWaalsContact O-N 3.08Å; K190-T192 PolarHBondContact O-N 2.88Å; K190-T192 VanDerWaalsContact O-N 3.12Å
191L57.8Low64.2Low131 Ų131144.7 Ų144.769%0.68674%0.736SS**  trans-51.2128.2179.8-69.1169.6000105.2Q189Q189-L191 VanDerWaalsContact C-N 3.31Å; Q189-L191 PolarHBondContact O-N 2.82Å
192T62.8Low63.4Low110 Ų110143.3 Ų143.368%0.67573%0.731SS**  trans-36.6132.5169.948.10000107.1K190 N194K190-T192 PolarHBondContact O-N 2.88Å; K190-T192 VanDerWaalsContact O-N 3.12Å; T192-N194 PolarHBondContact O-N 3Å
193P59.7Low62.5Low124 Ų124144.1 Ų144.181%0.80573%0.729SS**  trans-53.794.2-169.922.9-33.5000108.5N195P193-N195 PolarHBondContact O-N 2.9Å
194N56.8Low61.8Low86 Ų86142.6 Ų142.646%0.4672%0.724SS.*  trans-56.5136.7170.7-93.37000102.2T192 Y196T192-N194 PolarHBondContact O-N 3Å; N194-Y196 HydrophobicContact CB-CD2 3.38Å; N194-Y196 HydrophobicContact CB-CE2 3.24Å; N194-Y196 HydrophobicContact CB-CG 4.34Å; N194-Y196 PolarHBondContact O-N 3.25Å
195N60.6Low61.2Low169 Ų169142.1 Ų142.190%0.90473%0.727SS**  trans-6656.1177.7-68.1-56.3000110.1P193 R197P193-N195 PolarHBondContact O-N 2.9Å; N195-R197 PolarHBondContact O-N 2.61Å
196Y60Low60.6Low176 Ų176145.2 Ų145.269%0.6973%0.73SS**  trans-64.3105.5172-77.9-72000105.9N194 C198N194-Y196 HydrophobicContact CB-CD2 3.38Å; N194-Y196 HydrophobicContact CB-CE2 3.24Å; N194-Y196 HydrophobicContact CB-CG 4.34Å; N194-Y196 PolarHBondContact O-N 3.25Å; Y196-C198 PolarHBondContact O-N 3.27Å
197R60.8Low60.3Low237 Ų237140.3 Ų140.389%0.89473%0.727SS**  trans-72.583.7178.5-154.3176.6-167.6-102.82.8107.4N195N195-R197 PolarHBondContact O-N 2.61Å
198C62.2Low59.7Low66 Ų66136.1 Ų136.145%0.44672%0.719SS.*  trans-75.1130.2173.5550000109.4Y196 N200 R201Y196-C198 PolarHBondContact O-N 3.27Å; C198-N200 PolarHBondContact O-N 2.55Å; C198-R201 PolarHBondContact O-N 2.88Å; C198-R201 WeakPolarHBondContact SG-CB 3.25Å
199F59.7Low59.1Low185 Ų185137.4 Ų137.481%0.81173%0.725SS**G310 helixtrans-54.6-25.4-179.9-99.2-91.8000113.4R201F199-R201 VanDerWaalsContact C-N 3.34Å; F199-R201 PolarHBondContact O-N 3.3Å
200N62.8Low58.5Low155 Ų155134.1 Ų134.183%0.82973%0.728SS**G310 helixtrans-80.6-10.6-178.4-62.3-25.3000113.9C198C198-N200 PolarHBondContact O-N 2.55Å
201R63Low58.1Low220 Ų220128.2 Ų128.283%0.8373%0.726SS**G310 helixtrans-100.6-9.1-176.3-160.8166.3173.9178.4-2.5113.7C198 F199C198-R201 PolarHBondContact O-N 2.88Å; C198-R201 WeakPolarHBondContact SG-CB 3.25Å; F199-R201 VanDerWaalsContact C-N 3.34Å; F199-R201 PolarHBondContact O-N 3.3Å
202A55.8Low57.5Low63 Ų63126.5 Ų126.552%0.52173%0.725SS.*  trans-158.281.8163.900000110.3M204A202-M204 VanDerWaalsContact C-N 3.28Å; A202-M204 PolarHBondContact O-N 3.44Å
203P53Low57Low98 Ų98127.9 Ų127.964%0.63673%0.733SS**  trans-74.291.9166.231.7-28.4000106.9P205P203-P205 VanDerWaalsContact C-CD 3.41Å; P203-P205 WeakPolarHBondContact O-CD 3.47Å
204M58.8Low56.6Low126 Ų126131 Ų13162%0.62173%0.729SS**  trans-103.285.7165.6-71.3-64.2-64.200107.5A202 F206A202-M204 VanDerWaalsContact C-N 3.28Å; A202-M204 PolarHBondContact O-N 3.44Å; M204-F206 PolarHBondContact O-N 3.38Å
205P60.6Low56.1Low102 Ų102135.3 Ų135.366%0.66275%0.748SS**SBendtrans-70.7-16.5-174.927.6-34.2000113.3P203P203-P205 VanDerWaalsContact C-CD 3.41Å; P203-P205 WeakPolarHBondContact O-CD 3.47Å
206F58.4Low55.5Low178 Ų178134.9 Ų134.978%0.78174%0.739SS**SBendtrans-139.1128.6171.6-56-77000108.8M204 G208M204-F206 PolarHBondContact O-N 3.38Å; F206-G208 PolarHBondContact O-N 3.05Å
207G61.8Low54.8Low76 Ų76132 Ų13278%0.78474%0.742SS**  trans-44.2129.4-170.700000113.8
208G49Very low54.2Low58 Ų58128 Ų12860%0.59874%0.737SS**  trans-55.9144.4173.600000111.4F206 A210F206-G208 PolarHBondContact O-N 3.05Å; G208-A210 PolarHBondContact O-N 3.06Å
209T54.2Low53.5Low144 Ų144130.6 Ų130.688%0.88375%0.753SS**  trans-56129.7-174.9430000113.2
210A50.6Low52.8Low105 Ų105125.3 Ų125.387%0.86875%0.751SS**  trans-7.7128164.200000118G208G208-A210 PolarHBondContact O-N 3.06Å
211G51.8Low51.9Low84 Ų84126 Ų12687%0.86675%0.747SS**  trans-179.5-0.4167.100000117.5
212S45.2Very low51.4Low95 Ų95122.7 Ų122.766%0.66474%0.741SS**  trans-146.7107.8172.2-166.40000110.5R214S212-R214 PolarHBondContact O-N 3.19Å; S212-R214 WeakPolarHBondContact OG-CG 3.23Å
213V53Low51.2Low139 Ų139126.2 Ų126.284%0.84275%0.75SS**  trans-59.887.9160.9178.50000106.8M215V213-M215 HydrophobicContact CG1-CG 4.28Å
214R49.5Very low50.9Low189 Ų189127.5 Ų127.571%0.71375%0.751SS**  trans-108.392.1160.5-66.6-124.6-111-152.4-2.9105.7S212 F216S212-R214 PolarHBondContact O-N 3.19Å; S212-R214 WeakPolarHBondContact OG-CG 3.23Å; R214-F216 HydrophobicContact CB-CD2 4.12Å; R214-F216 HydrophobicContact CB-CE2 3.86Å; R214-F216 PolarHBondContact O-N 3.36Å
215M47.4Very low50.5Low177 Ų177128.4 Ų128.487%0.87275%0.754SS**  trans-59.489.6161.9-70173.292.600106.7V213V213-M215 HydrophobicContact CG1-CG 4.28Å
216F46.8Very low49.7Very low159 Ų159127.5 Ų127.570%0.69776%0.755SS**PPolyproline II helixtrans-73.2125.4156.1-75-83.2000105.6R214 L218R214-F216 HydrophobicContact CB-CD2 4.12Å; R214-F216 HydrophobicContact CB-CE2 3.86Å; R214-F216 PolarHBondContact O-N 3.36Å; F216-L218 PolarHBondContact O-N 3.12Å
217P46.8Very low49.4Very low116 Ų116127 Ų12775%0.75376%0.755SS**PPolyproline II helixtrans-57.6118.8164.9-1.912.6000105.7P219P217-P219 WeakPolarHBondContact O-CD 3.35Å; P217-P219 VanDerWaalsContact O-N 3.14Å
218L48.2Very low49.2Very low153 Ų153129.2 Ų129.280%0.80175%0.753SS**PPolyproline II helixtrans-58.6118.7165.5-8097.9000105.8F216 G220F216-L218 PolarHBondContact O-N 3.12Å; L218-G220 PolarHBondContact O-N 2.7Å
219P47.7Very low49.4Very low120 Ų120133 Ų13378%0.77976%0.755SS**PPolyproline II helixtrans-55.7131.8161.8-13.428.3000105.8P217 F221P217-P219 WeakPolarHBondContact O-CD 3.35Å; P217-P219 VanDerWaalsContact O-N 3.14Å; P219-F221 PolarHBondContact O-N 3.28Å; P219-F221 VanDerWaalsContact O-N 3.1Å
220G43.4Very low49.7Very low75 Ų75131.1 Ų131.177%0.77375%0.745SS**  trans-40.3120.9-174.900000110.7L218 E222L218-G220 PolarHBondContact O-N 2.7Å; G220-E222 PolarHBondContact O-N 3.33Å
221F45.9Very low50.1Low170 Ų170131.3 Ų131.375%0.74674%0.74SS**  trans-7081.1169.6-177.7-99.7000106.8P219 L223P219-F221 PolarHBondContact O-N 3.28Å; P219-F221 VanDerWaalsContact O-N 3.1Å; F221-L223 HydrophobicContact CD1-CB 4.3Å; F221-L223 HydrophobicContact CE1-CB 3.81Å; F221-L223 HydrophobicContact CE1-CD1 3.43Å; F221-L223 VanDerWaalsContact CE1-CD1 3.43Å; F221-L223 HydrophobicContact CE1-CG 4.21Å; F221-L223 HydrophobicContact CZ-CB 4.43Å; F221-L223 HydrophobicContact CZ-CD1 3.48Å; F221-L223 VanDerWaalsContact CZ-CD1 3.48Å; F221-L223 PolarHBondContact O-N 3.22Å
222E51.7Low50.5Low150 Ų150133.8 Ų133.870%0.70172%0.724SS**  trans-66.5110.8152.2-102-178171.900105.4G220 L224G220-E222 PolarHBondContact O-N 3.33Å; E222-L224 HydrophobicContact CB-CD1 4.18Å; E222-L224 HydrophobicContact CB-CG 4.04Å; E222-L224 PolarHBondContact O-N 3.38Å; E222-L224 VanDerWaalsContact OE2-CD1 3.26Å; E222-L224 WeakPolarHBondContact OE2-CD1 3.25Å
223L51Low51.6Low136 Ų136133 Ų13371%0.71272%0.715SS**  trans-64.654.8164.9-172.477.6000108.7F221 Q225F221-L223 HydrophobicContact CD1-CB 4.3Å; F221-L223 HydrophobicContact CE1-CB 3.81Å; F221-L223 HydrophobicContact CE1-CD1 3.43Å; F221-L223 VanDerWaalsContact CE1-CD1 3.43Å; F221-L223 HydrophobicContact CE1-CG 4.21Å; F221-L223 HydrophobicContact CZ-CB 4.43Å; F221-L223 HydrophobicContact CZ-CD1 3.48Å; F221-L223 VanDerWaalsContact CZ-CD1 3.48Å; F221-L223 PolarHBondContact O-N 3.22Å; L223-Q225 VanDerWaalsContact C-N 3.29Å; L223-Q225 PolarHBondContact O-N 3.37Å
224L48Very low52.3Low126 Ų126135.9 Ų135.966%0.6671%0.711SS**  trans-78.794168.6-77.3173.6000105.8E222E222-L224 HydrophobicContact CB-CD1 4.18Å; E222-L224 HydrophobicContact CB-CG 4.04Å; E222-L224 PolarHBondContact O-N 3.38Å; E222-L224 VanDerWaalsContact OE2-CD1 3.26Å; E222-L224 WeakPolarHBondContact OE2-CD1 3.25Å
225Q49.4Very low53.2Low145 Ų145133.7 Ų133.768%0.67871%0.709SS**  trans59.282.8147.7-155.4163.1-6.100112.1L223 H227L223-Q225 VanDerWaalsContact C-N 3.29Å; L223-Q225 PolarHBondContact O-N 3.37Å; Q225-H227 VanDerWaalsContact C-N 3.31Å; Q225-H227 PolarHBondContact O-CD2 3.26Å; Q225-H227 VanDerWaalsContact O-CD2 3.31Å; Q225-H227 PolarHBondContact O-N 3.3Å
226A44.9Very low54Low82 Ų82128.1 Ų128.168%0.67869%0.687SS**  trans-47.2110.5151.400000105.9T228A226-T228 PolarHBondContact O-N 3.08Å
227H50.3Low55Low169 Ų169123.9 Ų123.978%0.78267%0.671SS**  trans-66.184.2174-65.6-96.3000105.3Q225 E229Q225-H227 VanDerWaalsContact C-N 3.31Å; Q225-H227 PolarHBondContact O-CD2 3.26Å; Q225-H227 VanDerWaalsContact O-CD2 3.31Å; Q225-H227 PolarHBondContact O-N 3.3Å; H227-E229 PolarHBondContact O-N 3.13Å
228T58.5Low55.9Low122 Ų122120.6 Ų120.675%0.74865%0.65SS**  trans-55.9114.1160.948.60000104.2A226A226-T228 PolarHBondContact O-N 3.08Å
229E52.6Low56.8Low138 Ų138118.9 Ų118.965%0.64564%0.642SS**  trans-33.2127.2166.2-73.7-75.5139.800108.3H227 S231 R232H227-E229 PolarHBondContact O-N 3.13Å; E229-S231 PolarHBondContact O-N 3.05Å; E229-R232 IonicContact OE2-NH2 2.76Å
230P60.8Low57.9Low103 Ų103118 Ų11867%0.66962%0.623SS**  trans-52.6125.9-176.121.3-31.1000107.3R232P230-R232 WeakPolarHBondContact O-CG 3.37Å; P230-R232 PolarHBondContact O-N 3.03Å
231S59Low59.1Low110 Ų110121 Ų12177%0.76963%0.629SS**  trans-49.9104.4-178.853.60000107.8E229 T233E229-S231 PolarHBondContact O-N 3.05Å; S231-T233 PolarHBondContact O-N 3.07Å
232R60Low60.3Low136 Ų136116.9 Ų116.951%0.51362%0.615SS.*  trans-66.6108.9-172.3-62.2-170.6-179-173.3-1.6106.6E229 P230 I237 R240E229-R232 IonicContact OE2-NH2 2.76Å; P230-R232 WeakPolarHBondContact O-CG 3.37Å; P230-R232 PolarHBondContact O-N 3.03Å; R232-I237 HydrophobicContact CB-CG1 4.31Å; R232-R240 VanDerWaalsContact NH1-NH1 3.17Å
233T68.5Low61Low79 Ų79119.7 Ų119.749%0.48563%0.625SS.*  trans-60.5150.2176.554.30000108.9S231 E235 S236 I237S231-T233 PolarHBondContact O-N 3.07Å; T233-E235 PolarHBondContact O-N 3.46Å; T233-E235 VanDerWaalsContact O-N 3.14Å; T233-S236 WeakPolarHBondContact O-CB 3.42Å; T233-S236 PolarHBondContact O-N 2.63Å; T233-I237 PolarHBondContact O-N 3.37Å
234W67.1Low62Low198 Ų198120.6 Ų120.675%0.7563%0.631SS**Hα-helixtrans-53.9-35.1-179.9-178-113.4000112.1I237 C238W234-I237 HydrophobicContact CE3-CD1 4.32Å; W234-I237 WeakPolarHBondContact O-CB 3.33Å; W234-I237 PolarHBondContact O-N 3.11Å; W234-I237 VanDerWaalsContact O-N 3.15Å; W234-C238 PolarHBondContact O-N 3.41Å; W234-C238 PolarHBondContact O-SG 3.42Å
235E68.3Low63.2Low144 Ų144120.6 Ų120.667%0.67362%0.622SS**Hα-helixtrans-59-47.2174.8-65.4167.2174.400112.2T233 I237 C238 D239T233-E235 PolarHBondContact O-N 3.46Å; T233-E235 VanDerWaalsContact O-N 3.14Å; E235-I237 PolarHBondContact O-N 3.2Å; E235-C238 WeakPolarHBondContact O-CB 3.31Å; E235-C238 PolarHBondContact O-N 2.64Å; E235-C238 VanDerWaalsContact O-N 3.11Å; E235-D239 PolarHBondContact O-N 3.44Å
236S64.3Low64.2Low59 Ų59120 Ų12041%0.41363%0.628SS.*Hα-helixtrans-65.2-24.3176.5-179.40000113.4T233 R240T233-S236 WeakPolarHBondContact O-CB 3.42Å; T233-S236 PolarHBondContact O-N 2.63Å; S236-R240 WeakPolarHBondContact O-CG 3.38Å
237I67.9Low65.2Low70 Ų70122 Ų12236%0.35963%0.634SS.*Hα-helixtrans-76.9-38.3174.8-62.4170.3000110.5R232 T233 W234 E235 D239 R240R232-I237 HydrophobicContact CB-CG1 4.31Å; T233-I237 PolarHBondContact O-N 3.37Å; W234-I237 HydrophobicContact CE3-CD1 4.32Å; W234-I237 WeakPolarHBondContact O-CB 3.33Å; W234-I237 PolarHBondContact O-N 3.11Å; W234-I237 VanDerWaalsContact O-N 3.15Å; E235-I237 PolarHBondContact O-N 3.2Å; I237-D239 VanDerWaalsContact C-N 3.3Å; I237-D239 PolarHBondContact O-N 3.3Å; I237-R240 PolarHBondContact O-N 3.49Å
238C66.1Low65.9Low48 Ų48125.1 Ų125.132%0.32464%0.639SS.*Hα-helixtrans-67.8-27.2178-69.80000113.5W234 E235 R245W234-C238 PolarHBondContact O-N 3.41Å; W234-C238 PolarHBondContact O-SG 3.42Å; E235-C238 WeakPolarHBondContact O-CB 3.31Å; E235-C238 PolarHBondContact O-N 2.64Å; E235-C238 VanDerWaalsContact O-N 3.11Å; C238-R245 PolarHBondContact O-NH1 3.39Å; C238-R245 PolarHBondContact O-NH2 2.94Å
239D67.9Low66.2Low117 Ų117122 Ų12263%0.62663%0.632SS**THydrogen-bonded Turntrans-88.8-0.6179.3-68.5-31.4000114.3E235 I237E235-D239 PolarHBondContact O-N 3.44Å; I237-D239 VanDerWaalsContact C-N 3.3Å; I237-D239 PolarHBondContact O-N 3.3Å
240R69.6Low66.6Low100 Ų100128.1 Ų128.138%0.37765%0.649SS.*SBendtrans-66.4141.4174.6-62.5-165.5-164.7165.817.2110.7R232 S236 I237 N242R232-R240 VanDerWaalsContact NH1-NH1 3.17Å; S236-R240 WeakPolarHBondContact O-CG 3.38Å; I237-R240 PolarHBondContact O-N 3.49Å; R240-N242 PolarHBondContact O-N 2.88Å
241P68.9Low66.3Low140 Ų140126.9 Ų126.991%0.90965%0.648SS**  trans-56.6112.1164.5-1829.8000108.1
242N71.9Confident66Low82 Ų82125.1 Ų125.144%0.43964%0.639SS.*  trans-119.5145.1172.682.518.5000108.4R240 N244 R245R240-N242 PolarHBondContact O-N 2.88Å; N242-N244 PolarHBondContact O-N 3.1Å; N242-N244 PolarHBondContact OD1-N 3.26Å; N242-R245 WeakPolarHBondContact OD1-CA 3.29Å; N242-R245 WeakPolarHBondContact OD1-CB 3.42Å; N242-R245 WeakPolarHBondContact OD1-CG 3.3Å; N242-R245 PolarHBondContact OD1-N 3.1Å
243F65.7Low65.8Low210 Ų210127.1 Ų127.192%0.92165%0.654SS**THydrogen-bonded Turntrans-72.8-9.3-177.2-145.1-92.3000112.5
244N72Confident64.8Low154 Ų154133.7 Ų133.782%0.82467%0.672SS**THydrogen-bonded Turntrans-992.2-176-62.3-24.7000113.1N242N242-N244 PolarHBondContact O-N 3.1Å; N242-N244 PolarHBondContact OD1-N 3.26Å
245R74.3Confident63.9Low127 Ų127129.9 Ų129.948%0.47967%0.67SS.*SBendtrans-91.6135.5174.6-102.6177.5156.6-171.5-2.2109.1C238 N242C238-R245 PolarHBondContact O-NH1 3.39Å; C238-R245 PolarHBondContact O-NH2 2.94Å; N242-R245 WeakPolarHBondContact OD1-CA 3.29Å; N242-R245 WeakPolarHBondContact OD1-CB 3.42Å; N242-R245 WeakPolarHBondContact OD1-CG 3.3Å; N242-R245 PolarHBondContact OD1-N 3.1Å
246T69.4Low62.8Low131 Ų131127.3 Ų127.380%0.80467%0.674SS**  trans-54.9133.5170.7-7.50000109.3R248T246-R248 PolarHBondContact O-N 3.03Å
247P66.3Low61.8Low124 Ų124132.4 Ų132.481%0.80569%0.691SS**  trans-57.8113.2179.920.8-31.1000109.5G249P247-G249 PolarHBondContact O-N 3.29Å
248R64.1Low60.8Low235 Ų235135.3 Ų135.389%0.88771%0.712SS**  trans-77.1107.6171.6-138.7173.4177.4-178.4-2.8105.1T246T246-R248 PolarHBondContact O-N 3.03Å
249G65.7Low59.9Low58 Ų58141.6 Ų141.660%0.59874%0.737SS**  trans-53.5162.8-179.600000112.2P247 A251P247-G249 PolarHBondContact O-N 3.29Å; G249-A251 PolarHBondContact O-N 3.47Å
250W61.3Low59Low266 Ų266142.1 Ų142.1100%1.00874%0.744SS**  trans-70.381.3175.6-63.664.7000108.8A252W250-A252 PolarHBondContact O-N 3.28Å
251A53.5Low58Low77 Ų77143.1 Ų143.164%0.63677%0.767SS**  trans-73.9111.3173.400000108.1G249 H253G249-A251 PolarHBondContact O-N 3.47Å; A251-H253 PolarHBondContact O-N 2.95Å
252A54Low57Low72 Ų72143.6 Ų143.660%0.59576%0.762SS**  trans-65.4116.8166.900000108.1W250 Y254W250-A252 PolarHBondContact O-N 3.28Å; A252-Y254 HydrophobicContact CB-CE2 4.24Å; A252-Y254 PolarHBondContact O-N 2.8Å
253H54.7Low55.6Low178 Ų178151.5 Ų151.582%0.82480%0.802SS**  trans-71.598.1167.5-66.9-80.3000107.4A251 T255A251-H253 PolarHBondContact O-N 2.95Å; H253-T255 PolarHBondContact O-N 3.47Å
254Y47.3Very low55.1Low218 Ų218148.6 Ų148.686%0.85580%0.797SS**  trans-69.9106.9163.1-71.5-82.6000107.5A252 A256A252-Y254 HydrophobicContact CB-CE2 4.24Å; A252-Y254 PolarHBondContact O-N 2.8Å; Y254-A256 PolarHBondContact O-N 3.27Å
255T48.4Very low54.2Low117 Ų117148.3 Ų148.372%0.71880%0.795SS**  trans-72.2111.216342.40000107.3H253 E257H253-T255 PolarHBondContact O-N 3.47Å; T255-E257 PolarHBondContact O-N 2.9Å
256A46.2Very low53.1Low91 Ų91149.4 Ų149.475%0.75281%0.813SS**  trans-72110.1164.500000107.2Y254 T258Y254-A256 PolarHBondContact O-N 3.27Å; A256-T258 PolarHBondContact O-N 3.35Å; A256-T258 VanDerWaalsContact O-N 3.13Å
257E42Very low52.1Low166 Ų166150.5 Ų150.578%0.77681%0.813SS**  trans-55.9111.4165.9-63.5-70.2157.500107.8T255 E259T255-E257 PolarHBondContact O-N 2.9Å; E257-E259 PolarHBondContact O-N 2.89Å
258T48.6Very low51.2Low130 Ų130152.2 Ų152.280%0.79881%0.814SS**  trans-76.499.6167.345.80000107.5A256 T260A256-T258 PolarHBondContact O-N 3.35Å; A256-T258 VanDerWaalsContact O-N 3.13Å; T258-T260 PolarHBondContact O-N 3.45Å
259E46.5Very low50.4Low181 Ų181146.7 Ų146.785%0.84681%0.809SS**  trans-57.4123.2166.8-73.7-178.1157.800109.5E257 S261E257-E259 PolarHBondContact O-N 2.89Å; E259-S261 PolarHBondContact O-N 2.88Å
260T49.3Very low49.3Very low127 Ų127153 Ų15378%0.77982%0.824SS**  trans-72115.7173.246.70000109.7T258 D262T258-T260 PolarHBondContact O-N 3.45Å; T260-D262 PolarHBondContact O-N 3.45Å
261S48.7Very low48.4Very low122 Ų122144.3 Ų144.385%0.85381%0.81SS**  trans-84.7101.3167.7-47.80000109.6E259E259-S261 PolarHBondContact O-N 2.88Å
262D47.8Very low48Very low149 Ų149149.9 Ų149.980%0.79782%0.824SS**  trans-104.1112159.2-87.6-26.9000108.3T260T260-D262 PolarHBondContact O-N 3.45Å
263L41.9Very low47.4Very low248 Ų248157 Ų157100%1.29885%0.845SS**  trans160.90142.5-87164.3000111.3

Retrieved 263 of 263 residues in 530.7 ms (Link to these results)