A0A087XZW3_POEFO Loading...

Photoreceptor cilium actin regulator

AlphaFold DB , UniProt , Accession A0A087XZW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,011 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
1K41.1Very low40.1Very low265 Ų265157.6 Ų157.6100%1.15280%0.799SS**  0161.40-74.7178.3175.7176.40108.7
2K34.8Very low40.2Very low200 Ų200162.6 Ų162.687%0.8781%0.811SS**  trans-43.5129.2-174.7-66.4174.8-178.8178.50112.1
3S34.8Very low39.6Very low105 Ų105154.6 Ų154.673%0.73480%0.796SS**  70.1144.750.182.60000113.1
4N36.4Very low39.7Very low137 Ų137153.7 Ų153.773%0.73380%0.801SS**  cis178.5171.2-13.9-177.72000105.2
5K38.8Very low39.5Very low186 Ų186156.7 Ų156.781%0.80981%0.805SS**  trans79.6139.9162.1-54-177.4178.4177.80119.8
6K41.6Very low39.5Very low196 Ų196151.3 Ų151.385%0.85280%0.799SS**  trans-71.6-164.8157.5-51.2175.8-177.5178.50108.5
7P56.7Low39.9Very low107 Ų107150.6 Ų150.670%0.69581%0.806SS**  cis-155.1-178.412.345.2-22.9000120.4
8K40.2Very low39.7Very low176 Ų176153.4 Ų153.477%0.76580%0.803SS**  trans59.1137.8133.9-85.1174.5175176.50123.1
9K41.5Very low39.7Very low173 Ų173156.2 Ų156.275%0.75280%0.802SS**  trans74.7124.4134-81-168.6173.1-162.40117.9
10S35.8Very low39.8Very low104 Ų104157.1 Ų157.173%0.72780%0.8SS**  95.515067.883.10000112
11A39.9Very low39.7Very low85 Ų85154.5 Ų154.570%0.70279%0.788SS**  cis-175.1166.4-14.900000108.8
12K40.5Very low39.8Very low217 Ų217149.4 Ų149.494%0.94377%0.768SS**  trans65.3149.6-179.1-57.6178.9175-178.50114.5
13G33.3Very low39.9Very low59 Ų59148.9 Ų148.961%0.60877%0.769SS**  cis150.8154.1-10.800000113.2
14T40.1Very low40.6Very low142 Ų142152.5 Ų152.587%0.87177%0.771SS**  trans64136.9173.3250000116.3
15K36.8Very low41.1Very low199 Ų199153.6 Ų153.687%0.86578%0.776SS**  cis-141.8173.417.4-58.3179.9179.5175.40111.4
16G39.1Very low41.3Very low69 Ų69149.8 Ų149.871%0.71177%0.772SS**  trans-82.5-170.9173.200000114.5
17P46.2Very low41.4Very low140 Ų140146.8 Ų146.891%0.90977%0.77SS**  -145.5-175.378.441.5-24.5000118.2
18R37.9Very low40.8Very low201 Ų201148.5 Ų148.576%0.75877%0.774SS**  trans-58.9152.1-168.4-74.8174.6166.3-179.8-3.5120.4
19R39.2Very low41.1Very low207 Ų207148.3 Ų148.378%0.78178%0.776SS**  trans62.1128.7136.3-67.4172.2-179.8-172.5-3.5118.5
20K41.2Very low41.8Very low174 Ų174148.2 Ų148.276%0.75778%0.775SS**  -154.1152.568.6-110.2-179.3162-92.60114.5
21D38.8Very low43Very low103 Ų103147.7 Ų147.755%0.55177%0.768SS**  trans38.9104.5138.7-50.9-15.4000118.5
22Q42.8Very low44.8Very low158 Ų158151 Ų15174%0.73877%0.773SS**  97.9102.180.2-91.6-159.864.200112.3
23E35.4Very low46.8Very low188 Ų188146.7 Ų146.788%0.87976%0.755SS**  trans-140.1128.4137.3-152.8168.2-14300108.9I25E23-I25 PolarHBondContact O-N 2.69Å
24K51.4Low49.5Very low182 Ų182147.8 Ų147.879%0.79175%0.751SS**  trans-8985.9-170.2-69.4179.5-178.3175.80110.9S26K24-S26 PolarHBondContact O-N 2.72Å
25I45.8Very low51.7Low160 Ų160146.9 Ų146.982%0.82174%0.737SS**PPolyproline II helixtrans-71.4118.7163.9-61.9179.5000107.8E23 T27E23-I25 PolarHBondContact O-N 2.69Å; I25-T27 PolarHBondContact O-N 3.18Å
26S42.9Very low54.2Low106 Ų106141.9 Ų141.974%0.74173%0.725SS**PPolyproline II helixtrans-60.8125.1-172.152.60000112.5K24 D28K24-S26 PolarHBondContact O-N 2.72Å; S26-D28 PolarHBondContact O-N 3.23Å
27T43.8Very low56.6Low132 Ų132142 Ų14281%0.8171%0.709SS**PPolyproline II helixtrans-60.5118161.246.60000108.9I25 Q29I25-T27 PolarHBondContact O-N 3.18Å; T27-Q29 PolarHBondContact O-N 3.32Å; T27-Q29 VanDerWaalsContact O-N 3.11Å
28D44.8Very low58.7Low143 Ų143138.7 Ų138.777%0.76569%0.686SS**  trans-53.8115.1173.8-175.226.6000109.5S26 K30S26-D28 PolarHBondContact O-N 3.23Å; D28-K30 PolarHBondContact O-N 3.37Å
29Q46.7Very low61.3Low172 Ų172134.3 Ų134.380%0.80467%0.672SS**  trans-79.275.7-168.4-168.5177.87.900110.2T27 V31T27-Q29 PolarHBondContact O-N 3.32Å; T27-Q29 VanDerWaalsContact O-N 3.11Å; Q29-V31 PolarHBondContact O-N 3.22Å
30K54.5Low63.8Low171 Ų171127.1 Ų127.174%0.74366%0.657SS**  trans-57.4106.3163-71.4-173.1176.6-176.80108.5D28 D32D28-K30 PolarHBondContact O-N 3.37Å; K30-D32 VanDerWaalsContact C-N 3.25Å; K30-D32 PolarHBondContact O-N 2.82Å
31V61Low66.2Low94 Ų94123.4 Ų123.457%0.5764%0.642SS**  trans-67.792.6163.8179.50000106Q29 F33Q29-V31 PolarHBondContact O-N 3.22Å; V31-F33 HydrophobicContact CB-CE2 4.29Å; V31-F33 HydrophobicContact CB-CZ 4.28Å; V31-F33 HydrophobicContact CG1-CD1 4.28Å; V31-F33 HydrophobicContact CG1-CE1 3.87Å; V31-F33 HydrophobicContact CG1-CE2 4.14Å; V31-F33 HydrophobicContact CG1-CZ 3.79Å; V31-F33 WeakPolarHBondContact O-CD2 3.42Å; V31-F33 WeakPolarHBondContact O-CE2 3.09Å; V31-F33 PolarHBondContact O-N 2.73Å; V31-F33 VanDerWaalsContact O-N 3.1Å
32D78.1Confident68.8Low153 Ų153124.9 Ų124.982%0.81865%0.646SS**  trans-77.498.3-177-136.61000108.1K30K30-D32 VanDerWaalsContact C-N 3.25Å; K30-D32 PolarHBondContact O-N 2.82Å
33F82.9Confident71.2Confident128 Ų128120.3 Ų120.356%0.56164%0.635SS**  trans-70.4137.9-174.5-67.7-81.5000110.6V31 E35 L37 V38V31-F33 HydrophobicContact CB-CE2 4.29Å; V31-F33 HydrophobicContact CB-CZ 4.28Å; V31-F33 HydrophobicContact CG1-CD1 4.28Å; V31-F33 HydrophobicContact CG1-CE1 3.87Å; V31-F33 HydrophobicContact CG1-CE2 4.14Å; V31-F33 HydrophobicContact CG1-CZ 3.79Å; V31-F33 WeakPolarHBondContact O-CD2 3.42Å; V31-F33 WeakPolarHBondContact O-CE2 3.09Å; V31-F33 PolarHBondContact O-N 2.73Å; V31-F33 VanDerWaalsContact O-N 3.1Å; F33-E35 PolarHBondContact O-N 2.96Å; F33-L37 HydrophobicContact CD1-CD2 4.21Å; F33-V38 HydrophobicContact CB-CG2 3.57Å
34P89.4Confident74Confident81 Ų81112.8 Ų112.853%0.52661%0.606SS.*  trans-52.8129.5177.2-27.834.9000111.9P36 L37 V38P34-P36 VanDerWaalsContact C-N 3.27Å; P34-P36 VanDerWaalsContact O-N 3.14Å; P34-L37 HydrophobicContact CB-CB 4.27Å; P34-L37 WeakPolarHBondContact O-CA 3.17Å; P34-L37 VanDerWaalsContact O-CB 3.31Å; P34-L37 WeakPolarHBondContact O-CB 3.22Å; P34-L37 PolarHBondContact O-N 3.43Å; P34-V38 PolarHBondContact O-N 3.1Å; P34-V38 VanDerWaalsContact O-N 3.12Å
35E87.6Confident76.1Confident123 Ų123111.2 Ų111.258%0.57560%0.596SS**Hα-helixtrans-52.5-37.4-176.8-155.1-154.5-173.700113.7F33 L37 V38 K39F33-E35 PolarHBondContact O-N 2.96Å; E35-L37 PolarHBondContact O-N 3.11Å; E35-V38 PolarHBondContact O-N 2.95Å; E35-K39 HydrophobicContact CG-CD 4.31Å; E35-K39 WeakPolarHBondContact O-CB 3.3Å; E35-K39 VanDerWaalsContact O-CG 3.3Å; E35-K39 WeakPolarHBondContact O-CG 3.37Å; E35-K39 PolarHBondContact O-N 3.27Å; E35-K39 WeakPolarHBondContact OE1-CE 3.4Å; E35-K39 IonicContact OE1-NZ 2.75Å; E35-K39 PolarHBondContact OE1-NZ 2.93Å; E35-K39 IonicContact OE2-NZ 2.73Å; E35-K39 PolarHBondContact OE2-NZ 3.43Å
36P88.6Confident78.4Confident95 Ų95106.7 Ų106.762%0.61758%0.582SS**Hα-helixtrans-63.1-37.3173-23.435.6000113.9P34 K39 A40P34-P36 VanDerWaalsContact C-N 3.27Å; P34-P36 VanDerWaalsContact O-N 3.14Å; P36-K39 PolarHBondContact O-N 3.32Å; P36-A40 WeakPolarHBondContact O-CB 3.42Å; P36-A40 PolarHBondContact O-N 2.86Å
37L89.8Confident80.9Confident72 Ų72105.4 Ų105.438%0.37756%0.563SS.*Hα-helixtrans-66.9-43178-17768.9000110.8F33 P34 E35 A40 H41F33-L37 HydrophobicContact CD1-CD2 4.21Å; P34-L37 HydrophobicContact CB-CB 4.27Å; P34-L37 WeakPolarHBondContact O-CA 3.17Å; P34-L37 VanDerWaalsContact O-CB 3.31Å; P34-L37 WeakPolarHBondContact O-CB 3.22Å; P34-L37 PolarHBondContact O-N 3.43Å; E35-L37 PolarHBondContact O-N 3.11Å; L37-A40 PolarHBondContact O-N 3.38Å; L37-H41 PolarHBondContact O-N 3.49Å; L37-H41 PolarHBondContact O-ND1 2.69Å
38V90.6Very high83.3Confident69 Ų69101.8 Ų101.842%0.41854%0.539SS..Hα-helixtrans-63.8-45.8175.9-178.40000110.6F33 P34 E35 A40 H41 Q42F33-V38 HydrophobicContact CB-CG2 3.57Å; P34-V38 PolarHBondContact O-N 3.1Å; P34-V38 VanDerWaalsContact O-N 3.12Å; E35-V38 PolarHBondContact O-N 2.95Å; V38-A40 PolarHBondContact O-N 2.9Å; V38-H41 PolarHBondContact O-N 2.91Å; V38-Q42 VanDerWaalsContact O-CB 3.29Å; V38-Q42 WeakPolarHBondContact O-CB 3.46Å; V38-Q42 PolarHBondContact O-N 3.48Å
39K91.9Very high85.6Confident109 Ų10998.2 Ų98.247%0.47452%0.519SS..Hα-helixtrans-60.7-42.5175.5-75.9169.2177.5168.40112.3E35 P36 Q42 A43E35-K39 HydrophobicContact CG-CD 4.31Å; E35-K39 WeakPolarHBondContact O-CB 3.3Å; E35-K39 VanDerWaalsContact O-CG 3.3Å; E35-K39 WeakPolarHBondContact O-CG 3.37Å; E35-K39 PolarHBondContact O-N 3.27Å; E35-K39 WeakPolarHBondContact OE1-CE 3.4Å; E35-K39 IonicContact OE1-NZ 2.75Å; E35-K39 PolarHBondContact OE1-NZ 2.93Å; E35-K39 IonicContact OE2-NZ 2.73Å; E35-K39 PolarHBondContact OE2-NZ 3.43Å; P36-K39 PolarHBondContact O-N 3.32Å; K39-Q42 PolarHBondContact O-N 3.41Å; K39-A43 WeakPolarHBondContact O-CB 3.29Å; K39-A43 PolarHBondContact O-N 3.46Å
40A91.1Very high87.9Confident57 Ų5792.9 Ų92.947%0.47150%0.5SS..Hα-helixtrans-64.3-45.517700000112.2P36 L37 V38 A43 A44P36-A40 WeakPolarHBondContact O-CB 3.42Å; P36-A40 PolarHBondContact O-N 2.86Å; L37-A40 PolarHBondContact O-N 3.38Å; V38-A40 PolarHBondContact O-N 2.9Å; A40-A43 PolarHBondContact O-N 3.12Å; A40-A44 WeakPolarHBondContact O-CB 3.32Å; A40-A44 PolarHBondContact O-N 2.95Å
41H91.9Very high89.8Confident95 Ų9585.2 Ų85.244%0.4447%0.468SS..Hα-helixtrans-65.4-39.2175.9-79.570.5000112.2L37 V38 A44 Y45L37-H41 PolarHBondContact O-N 3.49Å; L37-H41 PolarHBondContact O-ND1 2.69Å; V38-H41 PolarHBondContact O-N 2.91Å; H41-A44 PolarHBondContact O-N 2.97Å; H41-Y45 WeakPolarHBondContact O-CB 3.24Å; H41-Y45 PolarHBondContact O-N 2.87Å
42Q94Very high91.3Very high134 Ų13485.1 Ų85.163%0.62646%0.463SS*.Hα-helixtrans-64-40.7175-172.8177.69.400111.7V38 K39 A46V38-Q42 VanDerWaalsContact O-CB 3.29Å; V38-Q42 WeakPolarHBondContact O-CB 3.46Å; V38-Q42 PolarHBondContact O-N 3.48Å; K39-Q42 PolarHBondContact O-N 3.41Å; Q42-A46 WeakPolarHBondContact O-CB 3.36Å; Q42-A46 PolarHBondContact O-N 2.89Å
43A93.2Very high92.1Very high62 Ų6282.7 Ų82.751%0.51245%0.45SS..Hα-helixtrans-66.4-44.2175.500000112.1K39 A40 A46 F47K39-A43 WeakPolarHBondContact O-CB 3.29Å; K39-A43 PolarHBondContact O-N 3.46Å; A40-A43 PolarHBondContact O-N 3.12Å; A43-A46 PolarHBondContact O-N 3.46Å; A43-F47 PolarHBondContact O-N 3.45Å
44A94.4Very high92.7Very high31 Ų3182.9 Ų82.926%0.25645%0.451SS..Hα-helixtrans-60.6-45.517500000111.5A40 H41 F47 L48 I185A40-A44 WeakPolarHBondContact O-CB 3.32Å; A40-A44 PolarHBondContact O-N 2.95Å; H41-A44 PolarHBondContact O-N 2.97Å; A44-F47 PolarHBondContact O-N 2.97Å; A44-L48 WeakPolarHBondContact O-CB 3.15Å; A44-L48 VanDerWaalsContact O-CG 3.29Å; A44-L48 WeakPolarHBondContact O-CG 3.31Å; A44-L48 PolarHBondContact O-N 2.91Å; A44-I185 HydrophobicContact CB-CG2 4.29Å
45Y94.6Very high92.9Very high148 Ų14884.1 Ų84.158%0.5845%0.446SS*.Hα-helixtrans-65.3-39.7176.5-172.6-103.1000112.5H41 F47 L48 N49H41-Y45 WeakPolarHBondContact O-CB 3.24Å; H41-Y45 PolarHBondContact O-N 2.87Å; Y45-F47 VanDerWaalsContact C-N 3.25Å; Y45-F47 PolarHBondContact O-N 3.33Å; Y45-L48 PolarHBondContact O-N 3.04Å; Y45-N49 HydrophobicContact CD1-CB 4.39Å; Y45-N49 HydrophobicContact CD2-CB 4.32Å; Y45-N49 HydrophobicContact CE1-CB 4.04Å; Y45-N49 HydrophobicContact CE2-CB 3.95Å; Y45-N49 VanDerWaalsContact O-CB 3.24Å; Y45-N49 WeakPolarHBondContact O-CB 3.29Å; Y45-N49 PolarHBondContact O-N 3.41Å; Y45-N49 PolarHBondContact OH-OD1 2.86Å
46A95.1Very high93.3Very high65 Ų6582.5 Ų82.554%0.53744%0.441SS..Hα-helixtrans-66.3-24.1175.200000113.5Q42 A43 P50Q42-A46 WeakPolarHBondContact O-CB 3.36Å; Q42-A46 PolarHBondContact O-N 2.89Å; A43-A46 PolarHBondContact O-N 3.46Å; A46-P50 WeakPolarHBondContact O-CD 3.5Å; A46-P50 VanDerWaalsContact O-CG 3.3Å; A46-P50 WeakPolarHBondContact O-CG 3.26Å
47F94.3Very high93.7Very high80 Ų8081 Ų8135%0.35143%0.432SS..Hα-helixtrans-81.7-50.4169.6171.7-105.2000112.2A43 A44 Y45 S51 M178 L181 I185A43-F47 PolarHBondContact O-N 3.45Å; A44-F47 PolarHBondContact O-N 2.97Å; Y45-F47 VanDerWaalsContact C-N 3.25Å; Y45-F47 PolarHBondContact O-N 3.33Å; F47-S51 VanDerWaalsContact O-CB 3.29Å; F47-S51 WeakPolarHBondContact O-CB 3.44Å; F47-S51 PolarHBondContact O-N 2.66Å; F47-S51 PolarHBondContact O-OG 3.44Å; F47-M178 HydrophobicContact CZ-CE 4.34Å; F47-L181 HydrophobicContact CE1-CD2 4.19Å; F47-L181 HydrophobicContact CZ-CD2 3.94Å; F47-I185 HydrophobicContact CD1-CD1 4.08Å; F47-I185 HydrophobicContact CE1-CD1 4.05Å
48L94.8Very high94Very high56 Ų5681.8 Ų81.829%0.29344%0.44SS..Hα-helixtrans-70.3-47.4-172.5-68.9173.2000112.7A44 Y45 S51 I52 L182 I185A44-L48 WeakPolarHBondContact O-CB 3.15Å; A44-L48 VanDerWaalsContact O-CG 3.29Å; A44-L48 WeakPolarHBondContact O-CG 3.31Å; A44-L48 PolarHBondContact O-N 2.91Å; Y45-L48 PolarHBondContact O-N 3.04Å; L48-S51 WeakPolarHBondContact O-CA 3.3Å; L48-S51 WeakPolarHBondContact O-CB 3.29Å; L48-S51 PolarHBondContact O-N 3.36Å; L48-I52 PolarHBondContact O-N 3.23Å; L48-L182 HydrophobicContact CD2-CD2 3.48Å; L48-L182 VanDerWaalsContact CD2-CD2 3.48Å; L48-I185 HydrophobicContact CD1-CG2 4.33Å
49N94.3Very high94.3Very high67 Ų6783.2 Ų83.236%0.35845%0.445SS..Hα-helixtrans-62.9-43.6-171.9-169.387.4000113Y45 S51Y45-N49 HydrophobicContact CD1-CB 4.39Å; Y45-N49 HydrophobicContact CD2-CB 4.32Å; Y45-N49 HydrophobicContact CE1-CB 4.04Å; Y45-N49 HydrophobicContact CE2-CB 3.95Å; Y45-N49 VanDerWaalsContact O-CB 3.24Å; Y45-N49 WeakPolarHBondContact O-CB 3.29Å; Y45-N49 PolarHBondContact O-N 3.41Å; Y45-N49 PolarHBondContact OH-OD1 2.86Å; N49-S51 VanDerWaalsContact C-N 3.27Å; N49-S51 PolarHBondContact O-N 3.41Å
50P94.6Very high94.5Very high60 Ų6084.4 Ų84.439%0.3945%0.452SS..Hα-helixtrans-73.6-15.3171.1-17.133.5000114A46 K54A46-P50 WeakPolarHBondContact O-CD 3.5Å; A46-P50 VanDerWaalsContact O-CG 3.3Å; A46-P50 WeakPolarHBondContact O-CG 3.26Å; P50-K54 WeakPolarHBondContact O-CG 3.46Å
51S93.4Very high94.8Very high10 Ų1086.7 Ų86.77%0.0746%0.456CS..Hα-helixtrans-83.1-25.4178.8-62.30000112.7F47 L48 N49 K54 Y55F47-S51 VanDerWaalsContact O-CB 3.29Å; F47-S51 WeakPolarHBondContact O-CB 3.44Å; F47-S51 PolarHBondContact O-N 2.66Å; F47-S51 PolarHBondContact O-OG 3.44Å; L48-S51 WeakPolarHBondContact O-CA 3.3Å; L48-S51 WeakPolarHBondContact O-CB 3.29Å; L48-S51 PolarHBondContact O-N 3.36Å; N49-S51 VanDerWaalsContact C-N 3.27Å; N49-S51 PolarHBondContact O-N 3.41Å; S51-K54 WeakPolarHBondContact O-CB 3.47Å; S51-K54 PolarHBondContact O-N 2.89Å; S51-Y55 VanDerWaalsContact O-CD2 3.23Å; S51-Y55 WeakPolarHBondContact O-CD2 3.45Å; S51-Y55 PolarHBondContact O-N 3.42Å
52I93.7Very high95Very high93 Ų9386 Ų8648%0.47745%0.454SS..Hα-helixtrans-55.7-54.3167.6-66.6163.6000109.6L48 K54 Y55 D56L48-I52 PolarHBondContact O-N 3.23Å; I52-K54 PolarHBondContact O-N 3.43Å; I52-K54 VanDerWaalsContact O-N 3.09Å; I52-Y55 WeakPolarHBondContact O-CA 3.32Å; I52-Y55 VanDerWaalsContact O-CB 3.32Å; I52-Y55 WeakPolarHBondContact O-CB 3.39Å; I52-Y55 PolarHBondContact O-N 2.99Å; I52-D56 PolarHBondContact O-N 3.32Å
53N94.3Very high95.2Very high101 Ų10186.2 Ų86.254%0.5446%0.455SS..Hα-helixtrans-58.7-28.1177.9-59.126.6000113.5D56 S57N53-D56 WeakPolarHBondContact CA-OD2 3.31Å; N53-S57 PolarHBondContact O-N 3.22Å; N53-S57 PolarHBondContact O-OG 3.29Å
54K95.1Very high95.4Very high133 Ų13389.1 Ų89.158%0.57846%0.458SS*.Hα-helixtrans-74.3-34.9173.5-66.4171.8-168169.90112.1P50 S51 I52 D56 S57 V58P50-K54 WeakPolarHBondContact O-CG 3.46Å; S51-K54 WeakPolarHBondContact O-CB 3.47Å; S51-K54 PolarHBondContact O-N 2.89Å; I52-K54 PolarHBondContact O-N 3.43Å; I52-K54 VanDerWaalsContact O-N 3.09Å; K54-D56 VanDerWaalsContact C-N 3.33Å; K54-S57 PolarHBondContact O-N 3.15Å; K54-V58 VanDerWaalsContact O-CG2 3.31Å; K54-V58 WeakPolarHBondContact O-CG2 3.43Å; K54-V58 PolarHBondContact O-N 2.91Å
55Y94.9Very high95.5Very high107 Ų10790.4 Ų90.442%0.4247%0.469SS..Hα-helixtrans-64.9-38.3171.2-82.7-71.4000111.4S51 I52 S57 V58 L59 M178S51-Y55 VanDerWaalsContact O-CD2 3.23Å; S51-Y55 WeakPolarHBondContact O-CD2 3.45Å; S51-Y55 PolarHBondContact O-N 3.42Å; I52-Y55 WeakPolarHBondContact O-CA 3.32Å; I52-Y55 VanDerWaalsContact O-CB 3.32Å; I52-Y55 WeakPolarHBondContact O-CB 3.39Å; I52-Y55 PolarHBondContact O-N 2.99Å; Y55-S57 PolarHBondContact O-N 3.37Å; Y55-V58 CarbonylContact O-C 3.56Å; Y55-V58 PolarHBondContact O-N 3.1Å; Y55-V58 VanDerWaalsContact O-N 3.16Å; Y55-L59 WeakPolarHBondContact O-CB 3.23Å; Y55-L59 PolarHBondContact O-N 3.48Å; Y55-M178 HydrophobicContact CE2-CE 4.37Å; Y55-M178 WeakPolarHBondContact OH-CG 3.41Å
56D95.7Very high95.6Very high88 Ų8886.4 Ų86.447%0.47146%0.46SS..Hα-helixtrans-60.2-45.2175.5-58.6-38.5000111.1I52 N53 K54 V58 L59 E60I52-D56 PolarHBondContact O-N 3.32Å; N53-D56 WeakPolarHBondContact CA-OD2 3.31Å; K54-D56 VanDerWaalsContact C-N 3.33Å; D56-V58 PolarHBondContact O-N 3.27Å; D56-L59 WeakPolarHBondContact O-CB 3.33Å; D56-L59 PolarHBondContact O-N 3.09Å; D56-E60 PolarHBondContact O-N 2.88Å
57S96.1Very high95.7Very high63 Ų6389.2 Ų89.244%0.44146%0.461SS..Hα-helixtrans-66-32.3173.5-56.40000114N53 K54 Y55 L59 L61N53-S57 PolarHBondContact O-N 3.22Å; N53-S57 PolarHBondContact O-OG 3.29Å; K54-S57 PolarHBondContact O-N 3.15Å; Y55-S57 PolarHBondContact O-N 3.37Å; S57-L59 VanDerWaalsContact C-N 3.34Å; S57-L61 WeakPolarHBondContact O-CG 3.48Å; S57-L61 PolarHBondContact O-N 2.94Å; S57-L61 VanDerWaalsContact O-N 3.14Å
58V96.1Very high95.8Very high89 Ų8989.1 Ų89.154%0.53947%0.468SS..Hα-helixtrans-73.3-28.9174.2168.30000111.5K54 Y55 D56 M62K54-V58 VanDerWaalsContact O-CG2 3.31Å; K54-V58 WeakPolarHBondContact O-CG2 3.43Å; K54-V58 PolarHBondContact O-N 2.91Å; Y55-V58 CarbonylContact O-C 3.56Å; Y55-V58 PolarHBondContact O-N 3.1Å; Y55-V58 VanDerWaalsContact O-N 3.16Å; D56-V58 PolarHBondContact O-N 3.27Å; V58-M62 WeakPolarHBondContact O-CB 3.47Å; V58-M62 PolarHBondContact O-N 3.48Å
59L96.2Very high95.9Very high99 Ų9992.5 Ų92.552%0.51848%0.482SS..Hα-helixtrans-71.3-43.6174.2-178.560.6000111Y55 D56 S57 M62 E63Y55-L59 WeakPolarHBondContact O-CB 3.23Å; Y55-L59 PolarHBondContact O-N 3.48Å; D56-L59 WeakPolarHBondContact O-CB 3.33Å; D56-L59 PolarHBondContact O-N 3.09Å; S57-L59 VanDerWaalsContact C-N 3.34Å; L59-M62 HydrophobicContact CD1-CE 3.65Å; L59-M62 WeakPolarHBondContact O-CB 3.2Å; L59-M62 PolarHBondContact O-N 3.18Å; L59-M62 VanDerWaalsContact O-N 3.14Å; L59-E63 PolarHBondContact O-N 3.06Å
60E97.3Very high96Very high135 Ų13593.4 Ų93.463%0.63149%0.486SS*.Hα-helixtrans-57.8-49.1172.8-176.1176.1-160.300111.7D56 M62 E63 E64D56-E60 PolarHBondContact O-N 2.88Å; E60-M62 VanDerWaalsContact C-N 3.26Å; E60-M62 PolarHBondContact O-N 3.01Å; E60-E63 WeakPolarHBondContact O-CB 3.47Å; E60-E63 PolarHBondContact O-N 3.06Å; E60-E63 VanDerWaalsContact O-N 3.16Å; E60-E64 PolarHBondContact O-N 2.92Å
61L97.1Very high96.1Very high105 Ų10592.7 Ų92.755%0.5549%0.485SS..Hα-helixtrans-63.2-30174.6-71.5169.3000113.1S57 A65S57-L61 WeakPolarHBondContact O-CG 3.48Å; S57-L61 PolarHBondContact O-N 2.94Å; S57-L61 VanDerWaalsContact O-N 3.14Å; L61-A65 WeakPolarHBondContact O-CB 3.38Å; L61-A65 PolarHBondContact O-N 2.93Å
62M96.2Very high96.2Very high79 Ų7995.3 Ų95.339%0.38950%0.501SS..Hα-helixtrans-74.7-35.1175-174.1169.262.600111.8V58 L59 E60 A65 T66 K171V58-M62 WeakPolarHBondContact O-CB 3.47Å; V58-M62 PolarHBondContact O-N 3.48Å; L59-M62 HydrophobicContact CD1-CE 3.65Å; L59-M62 WeakPolarHBondContact O-CB 3.2Å; L59-M62 PolarHBondContact O-N 3.18Å; L59-M62 VanDerWaalsContact O-N 3.14Å; E60-M62 VanDerWaalsContact C-N 3.26Å; E60-M62 PolarHBondContact O-N 3.01Å; M62-A65 PolarHBondContact O-N 3.01Å; M62-T66 WeakPolarHBondContact O-CG2 3.28Å; M62-T66 PolarHBondContact O-N 3Å; M62-T66 PolarHBondContact O-OG1 3.45Å; M62-K171 PolarHBondContact SD-NZ 3Å
63E97.6Very high96.4Very high139 Ų13996.9 Ų96.965%0.6551%0.506SS*.Hα-helixtrans-63.8-48.6172.3-172.2168.5-175.500110.5L59 E60 A65 T66 Q67L59-E63 PolarHBondContact O-N 3.06Å; E60-E63 WeakPolarHBondContact O-CB 3.47Å; E60-E63 PolarHBondContact O-N 3.06Å; E60-E63 VanDerWaalsContact O-N 3.16Å; E63-A65 VanDerWaalsContact C-N 3.32Å; E63-A65 PolarHBondContact O-N 3.1Å; E63-T66 WeakPolarHBondContact CA-OG1 3.37Å; E63-T66 PolarHBondContact O-N 3.46Å; E63-T66 VanDerWaalsContact O-N 3.11Å; E63-T66 PolarHBondContact O-OG1 3.11Å; E63-Q67 PolarHBondContact O-N 3.35Å
64E97.6Very high96.5Very high124 Ų12496.3 Ų96.358%0.57951%0.506SS*.Hα-helixtrans-56.2-43.5173.7-175.7176.9-153.400112.2E60 Q67 T68E60-E64 PolarHBondContact O-N 2.92Å; E64-Q67 PolarHBondContact O-N 2.71Å; E64-T68 WeakPolarHBondContact O-CB 3.32Å; E64-T68 PolarHBondContact O-N 3.41Å; E64-T68 PolarHBondContact O-OG1 3Å
65A96.6Very high96.6Very high58 Ų5896.4 Ų96.448%0.47951%0.51SS..Hα-helixtrans-62.8-42.2175.500000112.5L61 M62 E63 T68 Q69L61-A65 WeakPolarHBondContact O-CB 3.38Å; L61-A65 PolarHBondContact O-N 2.93Å; M62-A65 PolarHBondContact O-N 3.01Å; E63-A65 VanDerWaalsContact C-N 3.32Å; E63-A65 PolarHBondContact O-N 3.1Å; A65-T68 PolarHBondContact O-N 3.28Å; A65-Q69 PolarHBondContact O-N 2.84Å
66T96.3Very high96.7Very high64 Ų6494.2 Ų94.239%0.39351%0.505SS..Hα-helixtrans-68.8-36.8176.155.40000113M62 E63 T68 Q69 I70M62-T66 WeakPolarHBondContact O-CG2 3.28Å; M62-T66 PolarHBondContact O-N 3Å; M62-T66 PolarHBondContact O-OG1 3.45Å; E63-T66 WeakPolarHBondContact CA-OG1 3.37Å; E63-T66 PolarHBondContact O-N 3.46Å; E63-T66 VanDerWaalsContact O-N 3.11Å; E63-T66 PolarHBondContact O-OG1 3.11Å; T66-T68 VanDerWaalsContact C-N 3.32Å; T66-T68 PolarHBondContact O-N 2.91Å; T66-Q69 WeakPolarHBondContact O-CB 3.28Å; T66-Q69 PolarHBondContact O-N 3.01Å; T66-I70 VanDerWaalsContact O-CG1 3.31Å; T66-I70 WeakPolarHBondContact O-CG1 3.29Å; T66-I70 PolarHBondContact O-N 3.44Å
67Q97.6Very high96.8Very high123 Ų12392.5 Ų92.558%0.57550%0.503SS*.Hα-helixtrans-65.9-37.8174.8-176.759.323.300111.2E63 E64 I70 A71E63-Q67 PolarHBondContact O-N 3.35Å; E64-Q67 PolarHBondContact O-N 2.71Å; Q67-I70 PolarHBondContact O-N 2.87Å; Q67-A71 PolarHBondContact O-N 3.44Å
68T96.7Very high96.8Very high78 Ų7895.2 Ų95.248%0.47951%0.507SS..Hα-helixtrans-65.5-43.5173.4-56.30000111.4E64 A65 T66 I70 A71 V72E64-T68 WeakPolarHBondContact O-CB 3.32Å; E64-T68 PolarHBondContact O-N 3.41Å; E64-T68 PolarHBondContact O-OG1 3Å; A65-T68 PolarHBondContact O-N 3.28Å; T66-T68 VanDerWaalsContact C-N 3.32Å; T66-T68 PolarHBondContact O-N 2.91Å; T68-I70 VanDerWaalsContact C-N 3.34Å; T68-I70 PolarHBondContact O-N 3.18Å; T68-A71 PolarHBondContact O-N 2.93Å; T68-V72 HydrophobicContact CG2-CG2 4.48Å; T68-V72 WeakPolarHBondContact O-CG2 3.36Å; T68-V72 PolarHBondContact O-N 3.34Å
69Q96Very high96.9Very high127 Ų12793.8 Ų93.859%0.59350%0.496SS*.Hα-helixtrans-57-45.5174.2-178.1-172-4.900111.6A65 T66 V72 Q73A65-Q69 PolarHBondContact O-N 2.84Å; T66-Q69 WeakPolarHBondContact O-CB 3.28Å; T66-Q69 PolarHBondContact O-N 3.01Å; Q69-V72 PolarHBondContact O-N 3.15Å; Q69-Q73 VanDerWaalsContact O-CB 3.3Å; Q69-Q73 WeakPolarHBondContact O-CB 3.5Å; Q69-Q73 PolarHBondContact O-N 3.18Å
70I96.8Very high96.9Very high87 Ų8791.7 Ų91.745%0.44649%0.492SS..Hα-helixtrans-62.8-44178.5-67.9164.1000110.7T66 Q67 T68 Q73 T74T66-I70 VanDerWaalsContact O-CG1 3.31Å; T66-I70 WeakPolarHBondContact O-CG1 3.29Å; T66-I70 PolarHBondContact O-N 3.44Å; Q67-I70 PolarHBondContact O-N 2.87Å; T68-I70 VanDerWaalsContact C-N 3.34Å; T68-I70 PolarHBondContact O-N 3.18Å; I70-Q73 PolarHBondContact O-N 3.43Å; I70-T74 PolarHBondContact O-N 3.2Å
71A96.5Very high96.9Very high44 Ų4490.1 Ų90.136%0.36449%0.488SS..Hα-helixtrans-60.9-50.5177.200000111.8Q67 T68 Q73 T74 M75Q67-A71 PolarHBondContact O-N 3.44Å; T68-A71 PolarHBondContact O-N 2.93Å; A71-Q73 VanDerWaalsContact C-N 3.33Å; A71-Q73 PolarHBondContact O-N 3.31Å; A71-T74 PolarHBondContact O-N 3.22Å; A71-T74 VanDerWaalsContact O-N 3.15Å; A71-T74 PolarHBondContact O-OG1 3.32Å; A71-M75 PolarHBondContact O-N 3.46Å; A71-M75 VanDerWaalsContact O-N 3.12Å
72V96.8Very high96.9Very high66 Ų6689.8 Ų89.840%0.448%0.479SS..Hα-helixtrans-60-42177172.10000111.2T68 Q69 T74 M75 I76T68-V72 HydrophobicContact CG2-CG2 4.48Å; T68-V72 WeakPolarHBondContact O-CG2 3.36Å; T68-V72 PolarHBondContact O-N 3.34Å; Q69-V72 PolarHBondContact O-N 3.15Å; V72-T74 VanDerWaalsContact C-N 3.31Å; V72-T74 PolarHBondContact O-N 3.14Å; V72-M75 WeakPolarHBondContact O-CB 3.46Å; V72-M75 PolarHBondContact O-N 2.99Å; V72-M75 VanDerWaalsContact O-N 3.08Å; V72-I76 HydrophobicContact CG1-CD1 3.75Å; V72-I76 HydrophobicContact CG1-CG1 4.26Å; V72-I76 WeakPolarHBondContact O-CG1 3.4Å; V72-I76 PolarHBondContact O-N 3.46Å
73Q96.6Very high96.9Very high125 Ų12588 Ų8858%0.58447%0.468SS*.Hα-helixtrans-58.9-40.5176.1-174.1179600112.2Q69 I70 A71 M75 I76 A77Q69-Q73 VanDerWaalsContact O-CB 3.3Å; Q69-Q73 WeakPolarHBondContact O-CB 3.5Å; Q69-Q73 PolarHBondContact O-N 3.18Å; I70-Q73 PolarHBondContact O-N 3.43Å; A71-Q73 VanDerWaalsContact C-N 3.33Å; A71-Q73 PolarHBondContact O-N 3.31Å; Q73-M75 VanDerWaalsContact C-N 3.35Å; Q73-I76 PolarHBondContact O-N 2.98Å; Q73-A77 WeakPolarHBondContact O-CB 3.43Å; Q73-A77 PolarHBondContact O-N 2.8Å
74T96.4Very high96.9Very high90 Ų9087.4 Ų87.455%0.55247%0.465SS*.Hα-helixtrans-68.3-31.6175.259.60000113.3I70 A71 V72 F78I70-T74 PolarHBondContact O-N 3.2Å; A71-T74 PolarHBondContact O-N 3.22Å; A71-T74 VanDerWaalsContact O-N 3.15Å; A71-T74 PolarHBondContact O-OG1 3.32Å; V72-T74 VanDerWaalsContact C-N 3.31Å; V72-T74 PolarHBondContact O-N 3.14Å; T74-F78 WeakPolarHBondContact O-CB 3.35Å; T74-F78 PolarHBondContact O-N 3.16Å
75M97.8Very high96.8Very high134 Ų13486.4 Ų86.466%0.6646%0.461SS*.Hα-helixtrans-70.4-43.7174.5-67.8175.761.600111.9A71 V72 Q73 F78 M79A71-M75 PolarHBondContact O-N 3.46Å; A71-M75 VanDerWaalsContact O-N 3.12Å; V72-M75 WeakPolarHBondContact O-CB 3.46Å; V72-M75 PolarHBondContact O-N 2.99Å; V72-M75 VanDerWaalsContact O-N 3.08Å; Q73-M75 VanDerWaalsContact C-N 3.35Å; M75-F78 PolarHBondContact O-N 3.45Å; M75-M79 PolarHBondContact O-N 3.5Å
76I96.9Very high96.8Very high62 Ų6287.3 Ų87.332%0.31846%0.457SS..Hα-helixtrans-62.3-44.4175.7-64.6169.8000110.4V72 Q73 F78 M79 A80 F157V72-I76 HydrophobicContact CG1-CD1 3.75Å; V72-I76 HydrophobicContact CG1-CG1 4.26Å; V72-I76 WeakPolarHBondContact O-CG1 3.4Å; V72-I76 PolarHBondContact O-N 3.46Å; Q73-I76 PolarHBondContact O-N 2.98Å; I76-F78 VanDerWaalsContact C-N 3.32Å; I76-F78 PolarHBondContact O-N 3.16Å; I76-M79 WeakPolarHBondContact O-CB 3.49Å; I76-M79 PolarHBondContact O-N 3.44Å; I76-A80 PolarHBondContact O-N 3.21Å; I76-F157 HydrophobicContact CD1-CD1 3.99Å; I76-F157 HydrophobicContact CD1-CE1 3.55Å; I76-F157 HydrophobicContact CD1-CZ 3.89Å; I76-F157 HydrophobicContact CG1-CE1 3.8Å; I76-F157 HydrophobicContact CG1-CE2 4.2Å; I76-F157 HydrophobicContact CG1-CZ 3.59Å
77A97.4Very high96.7Very high52 Ų5289.1 Ų89.143%0.4346%0.463SS..Hα-helixtrans-61.8-38.9175.900000112.4Q73 L81Q73-A77 WeakPolarHBondContact O-CB 3.43Å; Q73-A77 PolarHBondContact O-N 2.8Å; A77-L81 VanDerWaalsContact O-CG 3.31Å; A77-L81 WeakPolarHBondContact O-CG 3.33Å; A77-L81 PolarHBondContact O-N 2.88Å; A77-L81 VanDerWaalsContact O-N 3.11Å
78F97.6Very high96.7Very high120 Ų12087.6 Ų87.653%0.52646%0.456SS..Hα-helixtrans-66.7-38.8173.8-178.2-92.4000112.4T74 M75 I76 L81 R82T74-F78 WeakPolarHBondContact O-CB 3.35Å; T74-F78 PolarHBondContact O-N 3.16Å; M75-F78 PolarHBondContact O-N 3.45Å; I76-F78 VanDerWaalsContact C-N 3.32Å; I76-F78 PolarHBondContact O-N 3.16Å; F78-L81 PolarHBondContact O-N 3.04Å; F78-R82 HydrophobicContact CD1-CG 4.27Å; F78-R82 HydrophobicContact CE1-CG 3.89Å; F78-R82 HydrophobicContact CZ-CG 4.29Å; F78-R82 WeakPolarHBondContact O-CG 3.23Å; F78-R82 PolarHBondContact O-N 3Å; F78-R82 VanDerWaalsContact O-N 3.15Å
79M96.7Very high96.7Very high59 Ų5985.1 Ų85.129%0.29145%0.446SS..Hα-helixtrans-62.2-48.5175.8-169.8-170.982.700111.1M75 I76 L81 R82 Y83 A153 F157M75-M79 PolarHBondContact O-N 3.5Å; I76-M79 WeakPolarHBondContact O-CB 3.49Å; I76-M79 PolarHBondContact O-N 3.44Å; M79-L81 VanDerWaalsContact C-N 3.31Å; M79-L81 PolarHBondContact O-N 3.2Å; M79-R82 WeakPolarHBondContact O-CB 3.32Å; M79-R82 PolarHBondContact O-N 3.28Å; M79-Y83 HydrophobicContact CG-CD2 4.19Å; M79-Y83 HydrophobicContact CG-CE2 4.02Å; M79-Y83 WeakPolarHBondContact O-CD2 3.4Å; M79-Y83 PolarHBondContact O-N 3.26Å; M79-Y83 VanDerWaalsContact O-N 3.15Å; M79-A153 HydrophobicContact CE-CB 3.96Å; M79-A153 HydrophobicContact SD-CB 4.1Å; M79-F157 HydrophobicContact CE-CE2 3.97Å; M79-F157 HydrophobicContact SD-CE2 4.39Å
80A97.2Very high96.6Very high54 Ų5482.2 Ų82.245%0.44643%0.434SS..Hα-helixtrans-56.8-43.3175.600000111.9I76 R82 Y83 E84I76-A80 PolarHBondContact O-N 3.21Å; A80-R82 VanDerWaalsContact C-N 3.27Å; A80-R82 PolarHBondContact O-N 2.95Å; A80-Y83 PolarHBondContact O-N 3.16Å; A80-Y83 VanDerWaalsContact O-N 3.16Å; A80-E84 PolarHBondContact O-N 2.95Å
81L97.5Very high96.6Very high102 Ų10283 Ų8353%0.53444%0.436SS..Hα-helixtrans-62.4-28.3175-72.9168.8000113.8A77 F78 M79 E85A77-L81 VanDerWaalsContact O-CG 3.31Å; A77-L81 WeakPolarHBondContact O-CG 3.33Å; A77-L81 PolarHBondContact O-N 2.88Å; A77-L81 VanDerWaalsContact O-N 3.11Å; F78-L81 PolarHBondContact O-N 3.04Å; M79-L81 VanDerWaalsContact C-N 3.31Å; M79-L81 PolarHBondContact O-N 3.2Å; L81-E85 WeakPolarHBondContact O-CG 3.45Å; L81-E85 PolarHBondContact O-N 3.39Å; L81-E85 VanDerWaalsContact O-N 3.13Å
82R96.2Very high96.7Very high98 Ų9886.4 Ų86.437%0.3744%0.444SS..Hα-helixtrans-75.1-36.5174.1-63.8-67.5140-148.1-33.3111.7F78 M79 A80 E85 I86F78-R82 HydrophobicContact CD1-CG 4.27Å; F78-R82 HydrophobicContact CE1-CG 3.89Å; F78-R82 HydrophobicContact CZ-CG 4.29Å; F78-R82 WeakPolarHBondContact O-CG 3.23Å; F78-R82 PolarHBondContact O-N 3Å; F78-R82 VanDerWaalsContact O-N 3.15Å; M79-R82 WeakPolarHBondContact O-CB 3.32Å; M79-R82 PolarHBondContact O-N 3.28Å; A80-R82 VanDerWaalsContact C-N 3.27Å; A80-R82 PolarHBondContact O-N 2.95Å; R82-E85 IonicContact CZ-OE1 2.82Å; R82-E85 IonicContact CZ-OE2 3.86Å; R82-E85 VanDerWaalsContact CZ-OE2 3.27Å; R82-E85 IonicContact NE-OE2 2.81Å; R82-E85 IonicContact NH1-OE1 2.61Å; R82-E85 PolarHBondContact NH1-OE1 3.22Å; R82-E85 IonicContact NH1-OE2 3.05Å; R82-E85 PolarHBondContact NH1-OE2 3Å; R82-E85 IonicContact NH2-OE1 2.83Å; R82-E85 PolarHBondContact NH2-OE1 3.5Å; R82-E85 IonicContact NH2-OE2 2.61Å; R82-E85 PolarHBondContact O-N 2.96Å; R82-I86 WeakPolarHBondContact O-CD1 3.41Å; R82-I86 VanDerWaalsContact O-CG1 3.25Å; R82-I86 WeakPolarHBondContact O-CG1 3.04Å; R82-I86 PolarHBondContact O-N 2.97Å
83Y96.3Very high96.6Very high41 Ų4187.9 Ų87.916%0.16145%0.448CS..Hα-helixtrans-68.6-37.6172.8-78.9-76.4000112M79 A80 I86 I87 G146 A149 L150M79-Y83 HydrophobicContact CG-CD2 4.19Å; M79-Y83 HydrophobicContact CG-CE2 4.02Å; M79-Y83 WeakPolarHBondContact O-CD2 3.4Å; M79-Y83 PolarHBondContact O-N 3.26Å; M79-Y83 VanDerWaalsContact O-N 3.15Å; A80-Y83 PolarHBondContact O-N 3.16Å; A80-Y83 VanDerWaalsContact O-N 3.16Å; Y83-I86 HydrophobicContact CD1-CD1 4.47Å; Y83-I86 PolarHBondContact O-N 3.45Å; Y83-I87 VanDerWaalsContact O-CG1 3.26Å; Y83-I87 WeakPolarHBondContact O-CG1 3.43Å; Y83-I87 PolarHBondContact O-N 3.12Å; Y83-G146 WeakPolarHBondContact CE1-O 3.36Å; Y83-G146 PolarHBondContact OH-O 2.94Å; Y83-A149 VanDerWaalsContact OH-C 3.31Å; Y83-A149 WeakPolarHBondContact OH-CB 3.39Å; Y83-L150 HydrophobicContact CD1-CB 4.47Å; Y83-L150 HydrophobicContact CD1-CD1 4.38Å; Y83-L150 HydrophobicContact CD1-CD2 4.09Å; Y83-L150 HydrophobicContact CD2-CD1 3.99Å; Y83-L150 HydrophobicContact CE1-CB 3.78Å; Y83-L150 HydrophobicContact CE1-CD1 4.3Å; Y83-L150 HydrophobicContact CE1-CD2 4.22Å; Y83-L150 HydrophobicContact CE1-CG 4.32Å; Y83-L150 HydrophobicContact CE2-CB 4.47Å; Y83-L150 HydrophobicContact CE2-CD1 3.9Å; Y83-L150 HydrophobicContact CG-CD1 4.23Å; Y83-L150 PolarHBondContact OH-N 2.9Å
84E97.2Very high96.6Very high127 Ų12786 Ų8659%0.59345%0.445SS*.Hα-helixtrans-58.6-47.1171.4-162.576.9-175.200111.7A80 I86 I87 Q88A80-E84 PolarHBondContact O-N 2.95Å; E84-I86 VanDerWaalsContact C-N 3.31Å; E84-I86 PolarHBondContact O-N 3.36Å; E84-I87 PolarHBondContact O-N 3.06Å; E84-Q88 WeakPolarHBondContact O-CB 3.4Å; E84-Q88 PolarHBondContact O-N 2.92Å
85E96.9Very high96.7Very high103 Ų10388.1 Ų88.148%0.48145%0.449SS..Hα-helixtrans-60.4-37174.7-75.5173.7-171.600112.8L81 R82 G89L81-E85 WeakPolarHBondContact O-CG 3.45Å; L81-E85 PolarHBondContact O-N 3.39Å; L81-E85 VanDerWaalsContact O-N 3.13Å; R82-E85 IonicContact CZ-OE1 2.82Å; R82-E85 IonicContact CZ-OE2 3.86Å; R82-E85 VanDerWaalsContact CZ-OE2 3.27Å; R82-E85 IonicContact NE-OE2 2.81Å; R82-E85 IonicContact NH1-OE1 2.61Å; R82-E85 PolarHBondContact NH1-OE1 3.22Å; R82-E85 IonicContact NH1-OE2 3.05Å; R82-E85 PolarHBondContact NH1-OE2 3Å; R82-E85 IonicContact NH2-OE1 2.83Å; R82-E85 PolarHBondContact NH2-OE1 3.5Å; R82-E85 IonicContact NH2-OE2 2.61Å; R82-E85 PolarHBondContact O-N 2.96Å; E85-G89 PolarHBondContact O-N 3.46Å; E85-G89 VanDerWaalsContact O-N 3.09Å
86I95.2Very high96.6Very high78 Ų7888.1 Ų88.140%0.445%0.447SS..Hα-helixtrans-69.4-45.7177-70.7162.8000110.8R82 Y83 E84 G89 L90R82-I86 WeakPolarHBondContact O-CD1 3.41Å; R82-I86 VanDerWaalsContact O-CG1 3.25Å; R82-I86 WeakPolarHBondContact O-CG1 3.04Å; R82-I86 PolarHBondContact O-N 2.97Å; Y83-I86 HydrophobicContact CD1-CD1 4.47Å; Y83-I86 PolarHBondContact O-N 3.45Å; E84-I86 VanDerWaalsContact C-N 3.31Å; E84-I86 PolarHBondContact O-N 3.36Å; I86-G89 PolarHBondContact O-N 3.36Å; I86-L90 HydrophobicContact CG2-CD1 4.03Å; I86-L90 WeakPolarHBondContact O-CG 3.28Å; I86-L90 PolarHBondContact O-N 3.47Å
87I95.5Very high96.4Very high102 Ų10287.2 Ų87.252%0.52345%0.453SS..Hα-helixtrans-60.7-47177.3-69.2163.1000109.8Y83 E84 G89 L90 E91Y83-I87 VanDerWaalsContact O-CG1 3.26Å; Y83-I87 WeakPolarHBondContact O-CG1 3.43Å; Y83-I87 PolarHBondContact O-N 3.12Å; E84-I87 PolarHBondContact O-N 3.06Å; I87-G89 VanDerWaalsContact C-N 3.35Å; I87-G89 PolarHBondContact O-N 3.24Å; I87-L90 PolarHBondContact O-N 3.18Å; I87-E91 PolarHBondContact O-N 2.76Å
88Q97.2Very high96.4Very high90 Ų9089.3 Ų89.342%0.42145%0.454SS..Hα-helixtrans-61.1-41.6178.7-171.36690.600112.2E84 L90 E91 E92E84-Q88 WeakPolarHBondContact O-CB 3.4Å; E84-Q88 PolarHBondContact O-N 2.92Å; Q88-L90 PolarHBondContact O-N 2.93Å; Q88-E91 PolarHBondContact NE2-OE2 3.2Å; Q88-E91 PolarHBondContact O-N 3.23Å; Q88-E92 WeakPolarHBondContact O-CB 3.36Å; Q88-E92 WeakPolarHBondContact O-CG 3.24Å; Q88-E92 PolarHBondContact O-N 2.74Å
89G95.9Very high96.3Very high26 Ų2690.3 Ų90.327%0.26846%0.46SS..Hα-helixtrans-67.4-32.1176.400000113.8E85 I86 I87 M93E85-G89 PolarHBondContact O-N 3.46Å; E85-G89 VanDerWaalsContact O-N 3.09Å; I86-G89 PolarHBondContact O-N 3.36Å; I87-G89 VanDerWaalsContact C-N 3.35Å; I87-G89 PolarHBondContact O-N 3.24Å; G89-M93 WeakPolarHBondContact O-CB 3.48Å; G89-M93 VanDerWaalsContact O-CG 3.28Å; G89-M93 WeakPolarHBondContact O-CG 3.45Å; G89-M93 PolarHBondContact O-N 3.29Å; G89-M93 VanDerWaalsContact O-N 3.1Å
90L94.8Very high96.2Very high66 Ų6691.4 Ų91.435%0.34647%0.47SS..Hα-helixtrans-73.1-35.1172.9-70.3171000111.9I86 I87 Q88 T94 V142I86-L90 HydrophobicContact CG2-CD1 4.03Å; I86-L90 WeakPolarHBondContact O-CG 3.28Å; I86-L90 PolarHBondContact O-N 3.47Å; I87-L90 PolarHBondContact O-N 3.18Å; Q88-L90 PolarHBondContact O-N 2.93Å; L90-T94 WeakPolarHBondContact O-CB 3.22Å; L90-T94 PolarHBondContact O-N 3.28Å; L90-T94 VanDerWaalsContact O-N 3.12Å; L90-T94 PolarHBondContact O-OG1 3.46Å; L90-V142 HydrophobicContact CD2-CG1 4.49Å
91E96.9Very high96Very high105 Ų10594 Ų9449%0.49148%0.476SS..Hα-helixtrans-65-51.9171.8-174.1173.4-120.700110.8I87 Q88 M93 T94 E95I87-E91 PolarHBondContact O-N 2.76Å; Q88-E91 PolarHBondContact NE2-OE2 3.2Å; Q88-E91 PolarHBondContact O-N 3.23Å; E91-M93 VanDerWaalsContact C-N 3.35Å; E91-M93 PolarHBondContact O-N 3.01Å; E91-T94 CarbonylContact O-C 3.59Å; E91-T94 WeakPolarHBondContact O-CA 3.48Å; E91-T94 WeakPolarHBondContact O-CB 3.36Å; E91-T94 PolarHBondContact O-N 2.69Å; E91-E95 PolarHBondContact O-N 2.81Å
92E97.1Very high95.8Very high114 Ų11496.6 Ų96.653%0.53348%0.483SS..Hα-helixtrans-53.3-48.3175.9-75.8177-176.400111.8Q88 T94 E95 E96Q88-E92 WeakPolarHBondContact O-CB 3.36Å; Q88-E92 WeakPolarHBondContact O-CG 3.24Å; Q88-E92 PolarHBondContact O-N 2.74Å; E92-T94 PolarHBondContact O-N 3.46Å; E92-E95 PolarHBondContact O-N 2.77Å; E92-E96 WeakPolarHBondContact O-CB 3.19Å; E92-E96 WeakPolarHBondContact O-CG 3.41Å; E92-E96 PolarHBondContact O-N 2.93Å
93M95.5Very high95.7Very high98 Ų9895.3 Ų95.348%0.48349%0.493SS..Hα-helixtrans-61.5-31175.7-78177.452.700113.5G89 E91 G97 M135G89-M93 WeakPolarHBondContact O-CB 3.48Å; G89-M93 VanDerWaalsContact O-CG 3.28Å; G89-M93 WeakPolarHBondContact O-CG 3.45Å; G89-M93 PolarHBondContact O-N 3.29Å; G89-M93 VanDerWaalsContact O-N 3.1Å; E91-M93 VanDerWaalsContact C-N 3.35Å; E91-M93 PolarHBondContact O-N 3.01Å; M93-G97 PolarHBondContact O-N 2.9Å; M93-G97 VanDerWaalsContact O-N 3.08Å; M93-M135 HydrophobicContact CE-CE 3.62Å; M93-M135 HydrophobicContact CE-SD 4.22Å
94T96.3Very high95.4Very high86 Ų8696.7 Ų96.753%0.52850%0.503SS..Hα-helixtrans-78.2-42.2178.5-58.10000110.8L90 E91 E92 G97 E98L90-T94 WeakPolarHBondContact O-CB 3.22Å; L90-T94 PolarHBondContact O-N 3.28Å; L90-T94 VanDerWaalsContact O-N 3.12Å; L90-T94 PolarHBondContact O-OG1 3.46Å; E91-T94 CarbonylContact O-C 3.59Å; E91-T94 WeakPolarHBondContact O-CA 3.48Å; E91-T94 WeakPolarHBondContact O-CB 3.36Å; E91-T94 PolarHBondContact O-N 2.69Å; E92-T94 PolarHBondContact O-N 3.46Å; T94-G97 PolarHBondContact O-N 2.94Å; T94-E98 WeakPolarHBondContact O-CB 3.32Å; T94-E98 PolarHBondContact O-N 3.42Å
95E97.7Very high94.9Very high134 Ų13491.7 Ų91.763%0.62649%0.486SS*.Hα-helixtrans-63.2-44.7173.9-68.5-156.7140.700112.2E91 E92 E98 Q99E91-E95 PolarHBondContact O-N 2.81Å; E92-E95 PolarHBondContact O-N 2.77Å; E95-E98 PolarHBondContact O-N 2.75Å; E95-Q99 VanDerWaalsContact O-CB 3.32Å; E95-Q99 WeakPolarHBondContact O-CB 3.38Å; E95-Q99 PolarHBondContact O-N 2.62Å
96E95.9Very high94.3Very high134 Ų13495.1 Ų95.163%0.62650%0.502SS*.Hα-helixtrans-60.4-46173.3-75.8-167165.100111.2E92 E98 Q99 V100E92-E96 WeakPolarHBondContact O-CB 3.19Å; E92-E96 WeakPolarHBondContact O-CG 3.41Å; E92-E96 PolarHBondContact O-N 2.93Å; E96-E98 PolarHBondContact O-N 3.16Å; E96-Q99 PolarHBondContact O-N 3.38Å; E96-V100 WeakPolarHBondContact O-CG2 3.35Å; E96-V100 PolarHBondContact O-N 2.82Å
97G94.3Very high93.7Very high42 Ų4298.8 Ų98.843%0.43352%0.517SS..Hα-helixtrans-60.4-44.6177.300000112.7M93 T94 L101M93-G97 PolarHBondContact O-N 2.9Å; M93-G97 VanDerWaalsContact O-N 3.08Å; T94-G97 PolarHBondContact O-N 2.94Å; G97-L101 WeakPolarHBondContact O-CB 3.48Å; G97-L101 PolarHBondContact O-N 3.48Å
98E95.9Very high93Very high97 Ų9798.5 Ų98.545%0.45352%0.516SS..Hα-helixtrans-64.7-39.4172.9-80.6-159.2-170.900112.4T94 E95 E96 L101 K102T94-E98 WeakPolarHBondContact O-CB 3.32Å; T94-E98 PolarHBondContact O-N 3.42Å; E95-E98 PolarHBondContact O-N 2.75Å; E96-E98 PolarHBondContact O-N 3.16Å; E98-L101 PolarHBondContact O-N 2.67Å; E98-K102 WeakPolarHBondContact O-CB 3.31Å; E98-K102 WeakPolarHBondContact O-CD 3.29Å; E98-K102 WeakPolarHBondContact O-CG 3.26Å; E98-K102 PolarHBondContact O-N 3.37Å; E98-K102 VanDerWaalsContact OE2-CE 3.27Å; E98-K102 WeakPolarHBondContact OE2-CE 3.39Å; E98-K102 IonicContact OE2-NZ 2.61Å; E98-K102 PolarHBondContact OE2-NZ 2.86Å
99Q96.5Very high91.7Very high140 Ų14097.1 Ų97.165%0.65452%0.52SS*.Hα-helixtrans-66.1-43178.6-172.9178.477.200111.2E95 E96 L101 K102 A103E95-Q99 VanDerWaalsContact O-CB 3.32Å; E95-Q99 WeakPolarHBondContact O-CB 3.38Å; E95-Q99 PolarHBondContact O-N 2.62Å; E96-Q99 PolarHBondContact O-N 3.38Å; Q99-L101 VanDerWaalsContact C-N 3.32Å; Q99-L101 PolarHBondContact O-N 3.15Å; Q99-K102 PolarHBondContact O-N 3.1Å; Q99-A103 VanDerWaalsContact O-CB 3.31Å; Q99-A103 WeakPolarHBondContact O-CB 3.48Å; Q99-A103 PolarHBondContact O-N 3.26Å
100V93.3Very high90.1Very high83 Ų83104 Ų10450%0.50354%0.538SS..Hα-helixtrans-60.7-42173.2170.20000110.8E96 A103 N104E96-V100 WeakPolarHBondContact O-CG2 3.35Å; E96-V100 PolarHBondContact O-N 2.82Å; V100-A103 PolarHBondContact O-N 3.38Å; V100-N104 WeakPolarHBondContact O-CB 3.37Å; V100-N104 PolarHBondContact O-N 3.24Å; V100-N104 PolarHBondContact O-ND2 3.26Å
101L92.9Very high88.5Confident109 Ų109106.4 Ų106.457%0.57156%0.557SS**Hα-helixtrans-68.3-40.6177.4-174.363000112.6G97 E98 Q99 A103 G105G97-L101 WeakPolarHBondContact O-CB 3.48Å; G97-L101 PolarHBondContact O-N 3.48Å; E98-L101 PolarHBondContact O-N 2.67Å; Q99-L101 VanDerWaalsContact C-N 3.32Å; Q99-L101 PolarHBondContact O-N 3.15Å; L101-A103 VanDerWaalsContact C-N 3.34Å; L101-G105 WeakPolarHBondContact O-CA 3.31Å; L101-G105 PolarHBondContact O-N 3.48Å
102K94.4Very high86.6Confident156 Ų156107.3 Ų107.368%0.67858%0.576SS**Hα-helixtrans-65.2-35.9175.4-72.5159.4-170.1165.40112.1E98 Q99E98-K102 WeakPolarHBondContact O-CB 3.31Å; E98-K102 WeakPolarHBondContact O-CD 3.29Å; E98-K102 WeakPolarHBondContact O-CG 3.26Å; E98-K102 PolarHBondContact O-N 3.37Å; E98-K102 VanDerWaalsContact OE2-CE 3.27Å; E98-K102 WeakPolarHBondContact OE2-CE 3.39Å; E98-K102 IonicContact OE2-NZ 2.61Å; E98-K102 PolarHBondContact OE2-NZ 2.86Å; Q99-K102 PolarHBondContact O-N 3.1Å
103A93.9Very high84.4Confident70 Ų70108.8 Ų108.858%0.57958%0.582SS**Hα-helixtrans-84.2-29.8-179.200000114.2Q99 V100 L101Q99-A103 VanDerWaalsContact O-CB 3.31Å; Q99-A103 WeakPolarHBondContact O-CB 3.48Å; Q99-A103 PolarHBondContact O-N 3.26Å; V100-A103 PolarHBondContact O-N 3.38Å; L101-A103 VanDerWaalsContact C-N 3.34Å
104N89.7Confident82Confident70 Ų70112.2 Ų112.237%0.37459%0.594SS.*Hα-helixtrans-126.4-3.9-170.4-53.6-88.1000114.5V100 E106 H107 L108V100-N104 WeakPolarHBondContact O-CB 3.37Å; V100-N104 PolarHBondContact O-N 3.24Å; V100-N104 PolarHBondContact O-ND2 3.26Å; N104-E106 VanDerWaalsContact C-N 3.29Å; N104-E106 PolarHBondContact O-N 3.22Å; N104-H107 CarbonylContact O-C 3.42Å; N104-H107 WeakPolarHBondContact O-CA 3.4Å; N104-H107 WeakPolarHBondContact O-CB 3.5Å; N104-H107 PolarHBondContact O-N 2.86Å; N104-L108 HydrophobicContact CB-CD1 4.47Å; N104-L108 HydrophobicContact CB-CG 4.45Å; N104-L108 WeakPolarHBondContact O-CG 3.43Å; N104-L108 PolarHBondContact O-N 3.42Å
105G86.3Confident79.9Confident23 Ų23117.7 Ų117.724%0.23761%0.611CS.*Hα-helixtrans-56.6-38.5-172.200000114.2L101 H107 L108 A109L101-G105 WeakPolarHBondContact O-CA 3.31Å; L101-G105 PolarHBondContact O-N 3.48Å; G105-H107 VanDerWaalsContact C-N 3.26Å; G105-H107 PolarHBondContact O-N 2.9Å; G105-L108 PolarHBondContact O-N 3.44Å; G105-A109 PolarHBondContact O-N 2.86Å
106E84.4Confident77.2Confident174 Ų174119 Ų11981%0.81362%0.622SS**Hα-helixtrans-67.1-25.5174.7-60.9-172.1176.100113.2N104N104-E106 VanDerWaalsContact C-N 3.29Å; N104-E106 PolarHBondContact O-N 3.22Å
107H82.5Confident75.2Confident155 Ų155119.4 Ų119.472%0.71863%0.628SS**Hα-helixtrans-91-19.7177.2-55.8-27.2000112.8N104 G105N104-H107 CarbonylContact O-C 3.42Å; N104-H107 WeakPolarHBondContact O-CA 3.4Å; N104-H107 WeakPolarHBondContact O-CB 3.5Å; N104-H107 PolarHBondContact O-N 2.86Å; G105-H107 VanDerWaalsContact C-N 3.26Å; G105-H107 PolarHBondContact O-N 2.9Å
108L80.9Confident73.3Confident96 Ų96127.8 Ų127.850%0.50365%0.648SS.*Hα-helixtrans-79.7-19.2169.9-66.2173000112.3N104 G105 L128N104-L108 HydrophobicContact CB-CD1 4.47Å; N104-L108 HydrophobicContact CB-CG 4.45Å; N104-L108 WeakPolarHBondContact O-CG 3.43Å; N104-L108 PolarHBondContact O-N 3.42Å; G105-L108 PolarHBondContact O-N 3.44Å; L108-L128 HydrophobicContact CD2-CD2 4Å
109A70.3Confident71.4Confident61 Ų61128.3 Ų128.350%0.50466%0.663SS.*SBendtrans-81.4127.717100000111.1G105G105-A109 PolarHBondContact O-N 2.86Å
110W63.6Low69.6Low172 Ų172126.9 Ų126.965%0.65267%0.665SS**  trans-61.5133.9174.6-85.597000111.5S112 D122W110-S112 PolarHBondContact O-N 3.42Å; W110-S112 VanDerWaalsContact O-N 3.09Å; W110-D122 HydrophobicContact CH2-CB 4.47Å; W110-D122 HydrophobicContact CZ2-CB 3.96Å
111P60.1Low68.2Low115 Ų115126.9 Ų126.975%0.74767%0.667SS**  trans-55115.6175-28.336000112.1Q113P111-Q113 PolarHBondContact O-N 2.82Å
112S56.9Low67.4Low125 Ų125125.4 Ų125.487%0.87466%0.66SS**  trans-79.142.6-166.753.90000114.6W110W110-S112 PolarHBondContact O-N 3.42Å; W110-S112 VanDerWaalsContact O-N 3.09Å
113Q50.3Low67Low144 Ų144124.2 Ų124.267%0.67366%0.66SS**  trans-121.2114.7-178.7-70.2-149.9900115.7P111P111-Q113 PolarHBondContact O-N 2.82Å
114K46.4Very low66.6Low170 Ų170126.7 Ų126.774%0.73966%0.663SS**  trans79.199.9146.3-63.3158.6179.7151.90117.9N116K114-N116 PolarHBondContact O-N 2.83Å
115K50.9Low66.3Low201 Ų201127.2 Ų127.287%0.87466%0.663SS**  trans45.773131.3-62.7-174.4176.9-175.60116.2
116N42.6Very low66.5Low161 Ų161131.8 Ų131.886%0.86168%0.678SS**  trans-145.4139.2130.2-89-45.9000108.5K114K114-N116 PolarHBondContact O-N 2.83Å
117L54.1Low66.8Low144 Ų144128.2 Ų128.275%0.75466%0.664SS**SBendtrans-79145.5171.1-65.5164.2000108.1
118Y54.3Low67.2Low217 Ų217124.6 Ų124.685%0.85165%0.65SS**  trans66.560.4173.4-41.7-74000116.8
119S54.9Low67.6Low108 Ų108126.1 Ų126.176%0.75566%0.655SS**PPolyproline II helixtrans-80132.114855.20000109.5
120P58.2Low68.8Low110 Ų110130.1 Ų130.171%0.71466%0.658SS**PPolyproline II helixtrans-58.3153.4168.7-22.333.8000111.4D122P120-D122 PolarHBondContact O-N 3.09Å
121P65.2Low70.2Confident84 Ų84125 Ų12555%0.54565%0.646SS.*PPolyproline II helixtrans-61.3132.3168.427.8-33.7000109.4
122D75.4Confident71.8Confident77 Ų77122 Ų12241%0.41263%0.625SS.*PPolyproline II helixtrans-64149.5176.818027.7000110.8W110 P120 L124 Q125 Q126W110-D122 HydrophobicContact CH2-CB 4.47Å; W110-D122 HydrophobicContact CZ2-CB 3.96Å; P120-D122 PolarHBondContact O-N 3.09Å; D122-L124 PolarHBondContact O-N 2.83Å; D122-L124 WeakPolarHBondContact OD2-CB 3.48Å; D122-Q125 HydrophobicContact CB-CB 4.43Å; D122-Q125 CarbonylContact O-C 3.52Å; D122-Q125 WeakPolarHBondContact O-CA 3.5Å; D122-Q125 WeakPolarHBondContact O-CB 3.28Å; D122-Q125 PolarHBondContact O-N 3.38Å; D122-Q126 PolarHBondContact O-N 2.92Å
123L86.3Confident73.7Confident132 Ų132119.2 Ų119.269%0.69160%0.598SS**Hα-helixtrans-57.3-35.7178.2178.761.5000111.5Q126 L127L123-Q126 PolarHBondContact O-N 2.78Å; L123-L127 VanDerWaalsContact O-CB 3.29Å; L123-L127 WeakPolarHBondContact O-CB 3.29Å; L123-L127 PolarHBondContact O-N 2.94Å
124L85.6Confident75.9Confident122 Ų122120 Ų12064%0.63960%0.595SS**Hα-helixtrans-64.6-40.9174.3-175.262.2000111.8D122 L127 L128D122-L124 PolarHBondContact O-N 2.83Å; D122-L124 WeakPolarHBondContact OD2-CB 3.48Å; L124-L127 PolarHBondContact O-N 3.23Å; L124-L128 WeakPolarHBondContact O-CB 3.35Å; L124-L128 PolarHBondContact O-N 3.38Å
125Q84.2Confident78.2Confident80 Ų80115.6 Ų115.637%0.37458%0.578SS.*Hα-helixtrans-71.3-39.5177.6-170.9175.79.400111.8D122 L127 L128 Q129D122-Q125 HydrophobicContact CB-CB 4.43Å; D122-Q125 CarbonylContact O-C 3.52Å; D122-Q125 WeakPolarHBondContact O-CA 3.5Å; D122-Q125 WeakPolarHBondContact O-CB 3.28Å; D122-Q125 PolarHBondContact O-N 3.38Å; Q125-L127 VanDerWaalsContact C-N 3.33Å; Q125-L128 PolarHBondContact O-N 2.8Å; Q125-Q129 WeakPolarHBondContact O-CB 3.1Å; Q125-Q129 PolarHBondContact O-N 2.87Å
126Q88.5Confident80.4Confident119 Ų119112.3 Ų112.356%0.55656%0.56SS**Hα-helixtrans-63.3-40.3173.4-175177-7.400111.2D122 L123 Q129 Y130D122-Q126 PolarHBondContact O-N 2.92Å; L123-Q126 PolarHBondContact O-N 2.78Å; Q126-Q129 PolarHBondContact O-N 2.84Å; Q126-Y130 WeakPolarHBondContact O-CB 3.42Å; Q126-Y130 PolarHBondContact O-N 3.17Å
127L91.7Very high82.9Confident99 Ų99108.4 Ų108.452%0.51854%0.539SS..Hα-helixtrans-64.2-46.5174.5-179.660.9000111.6L123 L124 Q125 Q129 Y130 T131L123-L127 VanDerWaalsContact O-CB 3.29Å; L123-L127 WeakPolarHBondContact O-CB 3.29Å; L123-L127 PolarHBondContact O-N 2.94Å; L124-L127 PolarHBondContact O-N 3.23Å; Q125-L127 VanDerWaalsContact C-N 3.33Å; L127-Q129 PolarHBondContact O-N 2.81Å; L127-Y130 PolarHBondContact O-N 2.91Å; L127-T131 HydrophobicContact CD1-CG2 4.25Å; L127-T131 WeakPolarHBondContact O-CG2 3.32Å; L127-T131 PolarHBondContact O-N 2.81Å; L127-T131 PolarHBondContact O-OG1 2.97Å
128L90.4Very high84.9Confident79 Ų79104.8 Ų104.841%0.41452%0.523SS..Hα-helixtrans-62.5-40.3177-179.461.4000112.1L108 L124 Q125 T131 T132L108-L128 HydrophobicContact CD2-CD2 4Å; L124-L128 WeakPolarHBondContact O-CB 3.35Å; L124-L128 PolarHBondContact O-N 3.38Å; Q125-L128 PolarHBondContact O-N 2.8Å; L128-T131 WeakPolarHBondContact CA-OG1 3.31Å; L128-T131 PolarHBondContact O-OG1 3.44Å; L128-T131 VanDerWaalsContact O-OG1 3.11Å; L128-T132 VanDerWaalsContact O-CB 3.25Å; L128-T132 WeakPolarHBondContact O-CB 3.42Å; L128-T132 PolarHBondContact O-N 3.14Å; L128-T132 PolarHBondContact O-OG1 3.18Å
129Q89.8Confident86.8Confident128 Ų12896.5 Ų96.560%0.59850%0.497SS*.Hα-helixtrans-65.5-41.4175.3-172.7176.25.500111.3Q125 Q126 L127 Q133Q125-Q129 WeakPolarHBondContact O-CB 3.1Å; Q125-Q129 PolarHBondContact O-N 2.87Å; Q126-Q129 PolarHBondContact O-N 2.84Å; L127-Q129 PolarHBondContact O-N 2.81Å; Q129-Q133 VanDerWaalsContact O-CB 3.32Å; Q129-Q133 WeakPolarHBondContact O-CB 3.41Å; Q129-Q133 PolarHBondContact O-N 3.23Å
130Y95.1Very high88.7Confident146 Ų14698.8 Ų98.857%0.57349%0.489SS*.Hα-helixtrans-64.6-47.1175.5172.6-98.4000112.5Q126 L127 Q133 R134Q126-Y130 WeakPolarHBondContact O-CB 3.42Å; Q126-Y130 PolarHBondContact O-N 3.17Å; L127-Y130 PolarHBondContact O-N 2.91Å; Y130-Q133 PolarHBondContact O-N 3.11Å; Y130-R134 WeakPolarHBondContact O-CB 3.5Å; Y130-R134 PolarHBondContact O-N 3.36Å
131T94.1Very high90.5Very high65 Ų6597.5 Ų97.540%0.39948%0.479SS..Hα-helixtrans-65.8-41.8178.354.40000111.6L127 L128 Q133 R134 M135L127-T131 HydrophobicContact CD1-CG2 4.25Å; L127-T131 WeakPolarHBondContact O-CG2 3.32Å; L127-T131 PolarHBondContact O-N 2.81Å; L127-T131 PolarHBondContact O-OG1 2.97Å; L128-T131 WeakPolarHBondContact CA-OG1 3.31Å; L128-T131 PolarHBondContact O-OG1 3.44Å; L128-T131 VanDerWaalsContact O-OG1 3.11Å; T131-Q133 VanDerWaalsContact C-N 3.35Å; T131-Q133 PolarHBondContact O-N 2.89Å; T131-R134 PolarHBondContact O-N 3.29Å; T131-M135 WeakPolarHBondContact O-CB 3.24Å; T131-M135 PolarHBondContact O-N 2.9Å
132T93.9Very high91.8Very high51 Ų5196.6 Ų96.631%0.31347%0.472SS..Hα-helixtrans-61-43.1174.4-54.50000111.3L128 M135 R136L128-T132 VanDerWaalsContact O-CB 3.25Å; L128-T132 WeakPolarHBondContact O-CB 3.42Å; L128-T132 PolarHBondContact O-N 3.14Å; L128-T132 PolarHBondContact O-OG1 3.18Å; T132-M135 PolarHBondContact O-N 3.19Å; T132-R136 WeakPolarHBondContact O-CG 3.45Å; T132-R136 PolarHBondContact O-N 3.04Å
133Q96.2Very high92.7Very high67 Ų6795.4 Ų95.431%0.31347%0.469SS..Hα-helixtrans-71.2-35.1178.8-168.652.946.400112.7Q129 Y130 T131 R136 N137Q129-Q133 VanDerWaalsContact O-CB 3.32Å; Q129-Q133 WeakPolarHBondContact O-CB 3.41Å; Q129-Q133 PolarHBondContact O-N 3.23Å; Y130-Q133 PolarHBondContact O-N 3.11Å; T131-Q133 VanDerWaalsContact C-N 3.35Å; T131-Q133 PolarHBondContact O-N 2.89Å; Q133-R136 PolarHBondContact O-N 3.37Å; Q133-R136 VanDerWaalsContact OE1-NH1 3.11Å; Q133-N137 PolarHBondContact NE2-OD1 3.09Å; Q133-N137 VanDerWaalsContact O-CG 3.29Å; Q133-N137 PolarHBondContact O-N 3.19Å; Q133-N137 PolarHBondContact O-OD1 2.9Å
134R96.3Very high93Very high159 Ų15991.1 Ų91.160%0.646%0.457SS*.Hα-helixtrans-62-43.8170.6-177.2177.6176.1-173.7-2.6111Y130 T131 N137 V138Y130-R134 WeakPolarHBondContact O-CB 3.5Å; Y130-R134 PolarHBondContact O-N 3.36Å; T131-R134 PolarHBondContact O-N 3.29Å; R134-N137 PolarHBondContact O-N 3.37Å; R134-V138 WeakPolarHBondContact O-CG2 3.27Å; R134-V138 PolarHBondContact O-N 3.27Å
135M95.4Very high93.5Very high78 Ų7890.7 Ų90.738%0.38445%0.454SS..Hα-helixtrans-61.6-49.6176.7-169.461.9-121.800111M93 T131 T132 N137 V138 S139M93-M135 HydrophobicContact CE-CE 3.62Å; M93-M135 HydrophobicContact CE-SD 4.22Å; T131-M135 WeakPolarHBondContact O-CB 3.24Å; T131-M135 PolarHBondContact O-N 2.9Å; T132-M135 PolarHBondContact O-N 3.19Å; M135-N137 VanDerWaalsContact C-N 3.26Å; M135-N137 PolarHBondContact O-N 2.88Å; M135-V138 HydrophobicContact CE-CB 4.21Å; M135-V138 HydrophobicContact CE-CG1 4.1Å; M135-V138 CarbonylContact O-C 3.16Å; M135-V138 PolarHBondContact O-N 3.4Å; M135-S139 WeakPolarHBondContact CE-OG 3.46Å; M135-S139 PolarHBondContact O-N 3.11Å; M135-S139 PolarHBondContact O-OG 2.88Å
136R95.3Very high93.9Very high133 Ų13387.8 Ų87.850%0.50245%0.445SS..Hα-helixtrans-54.8-39.9174.7-71.4176.2-171.3139.41.2113.2T132 Q133 R140T132-R136 WeakPolarHBondContact O-CG 3.45Å; T132-R136 PolarHBondContact O-N 3.04Å; Q133-R136 PolarHBondContact O-N 3.37Å; Q133-R136 VanDerWaalsContact OE1-NH1 3.11Å; R136-R140 WeakPolarHBondContact O-CG 3.46Å; R136-R140 PolarHBondContact O-N 3.49Å
137N96.1Very high94.2Very high78 Ų7886.8 Ų86.842%0.41744%0.444SS..Hα-helixtrans-66-45.1176.9-71.44000111.2Q133 R134 M135 R140 T141Q133-N137 PolarHBondContact NE2-OD1 3.09Å; Q133-N137 VanDerWaalsContact O-CG 3.29Å; Q133-N137 PolarHBondContact O-N 3.19Å; Q133-N137 PolarHBondContact O-OD1 2.9Å; R134-N137 PolarHBondContact O-N 3.37Å; M135-N137 VanDerWaalsContact C-N 3.26Å; M135-N137 PolarHBondContact O-N 2.88Å; N137-R140 PolarHBondContact O-N 3.22Å; N137-R140 PolarHBondContact OD1-NH1 3.27Å; N137-T141 PolarHBondContact O-N 2.96Å; N137-T141 PolarHBondContact O-OG1 2.92Å
138V95.9Very high94.4Very high68 Ų6884.5 Ų84.541%0.41244%0.436SS..Hα-helixtrans-61.3-44.9174.5172.50000111.4R134 M135 R140 T141 V142R134-V138 WeakPolarHBondContact O-CG2 3.27Å; R134-V138 PolarHBondContact O-N 3.27Å; M135-V138 HydrophobicContact CE-CB 4.21Å; M135-V138 HydrophobicContact CE-CG1 4.1Å; M135-V138 CarbonylContact O-C 3.16Å; M135-V138 PolarHBondContact O-N 3.4Å; V138-R140 PolarHBondContact O-N 2.97Å; V138-T141 PolarHBondContact O-N 3.43Å; V138-T141 VanDerWaalsContact O-N 3.09Å; V138-V142 HydrophobicContact CG1-CG2 4.21Å; V138-V142 WeakPolarHBondContact O-CG2 3.43Å; V138-V142 PolarHBondContact O-N 2.87Å
139S94.2Very high94.7Very high43 Ų4382.7 Ų82.730%0.30143%0.432SS..Hα-helixtrans-57.1-45.2176.2-61.10000112M135 T141 V142 C143M135-S139 WeakPolarHBondContact CE-OG 3.46Å; M135-S139 PolarHBondContact O-N 3.11Å; M135-S139 PolarHBondContact O-OG 2.88Å; S139-T141 VanDerWaalsContact C-N 3.3Å; S139-T141 PolarHBondContact O-N 3.26Å; S139-V142 PolarHBondContact O-N 2.99Å; S139-C143 WeakPolarHBondContact O-CB 3.26Å; S139-C143 PolarHBondContact O-N 3.07Å; S139-C143 PolarHBondContact O-SG 3.25Å
140R95.2Very high95Very high156 Ų15679.6 Ų79.659%0.58942%0.42SS*.Hα-helixtrans-61-37.1175.5-70.5-165.1-141.694.5-6.3112.8R136 N137 V138 G144R136-R140 WeakPolarHBondContact O-CG 3.46Å; R136-R140 PolarHBondContact O-N 3.49Å; N137-R140 PolarHBondContact O-N 3.22Å; N137-R140 PolarHBondContact OD1-NH1 3.27Å; V138-R140 PolarHBondContact O-N 2.97Å; R140-G144 PolarHBondContact O-N 3.42Å
141T95.1Very high95.1Very high84 Ų8478.9 Ų78.952%0.51542%0.422SS..Hα-helixtrans-70.3-38.1175.7-55.20000112.1N137 V138 S139 I145N137-T141 PolarHBondContact O-N 2.96Å; N137-T141 PolarHBondContact O-OG1 2.92Å; V138-T141 PolarHBondContact O-N 3.43Å; V138-T141 VanDerWaalsContact O-N 3.09Å; S139-T141 VanDerWaalsContact C-N 3.3Å; S139-T141 PolarHBondContact O-N 3.26Å; T141-I145 HydrophobicContact CG2-CD1 3.72Å; T141-I145 HydrophobicContact CG2-CG1 4.47Å; T141-I145 WeakPolarHBondContact O-CB 3.36Å; T141-I145 VanDerWaalsContact O-CG1 3.29Å; T141-I145 WeakPolarHBondContact O-CG1 3.45Å; T141-I145 PolarHBondContact O-N 3.49Å; T141-I145 VanDerWaalsContact O-N 3.09Å
142V94.1Very high95.2Very high64 Ų6482.4 Ų82.439%0.38843%0.434SS..Hα-helixtrans-67.8-47.6177.2171.40000111.2L90 V138 S139 G146L90-V142 HydrophobicContact CD2-CG1 4.49Å; V138-V142 HydrophobicContact CG1-CG2 4.21Å; V138-V142 WeakPolarHBondContact O-CG2 3.43Å; V138-V142 PolarHBondContact O-N 2.87Å; S139-V142 PolarHBondContact O-N 2.99Å; V142-G146 PolarHBondContact O-N 3.11Å
143C92.9Very high95.3Very high52 Ų5280.8 Ų80.835%0.35143%0.425SS..Hα-helixtrans-59.1-58172.2-63.80000110.2S139 I145 G146 D147S139-C143 WeakPolarHBondContact O-CB 3.26Å; S139-C143 PolarHBondContact O-N 3.07Å; S139-C143 PolarHBondContact O-SG 3.25Å; C143-I145 VanDerWaalsContact C-N 3.26Å; C143-I145 PolarHBondContact O-N 3.39Å; C143-I145 VanDerWaalsContact O-N 3.07Å; C143-G146 PolarHBondContact O-N 3.31Å; C143-D147 VanDerWaalsContact C-OD2 3.27Å; C143-D147 WeakPolarHBondContact CB-OD2 3.49Å; C143-D147 VanDerWaalsContact O-CB 3.24Å; C143-D147 WeakPolarHBondContact O-CB 3.47Å; C143-D147 PolarHBondContact O-N 3.39Å; C143-D147 VanDerWaalsContact O-OD2 3.09Å
144G93.6Very high95.4Very high43 Ų4381.6 Ų81.644%0.44344%0.435SS..Hα-helixtrans-55.7-34.3-175.800000115.3R140 S148R140-G144 PolarHBondContact O-N 3.42Å; G144-S148 WeakPolarHBondContact O-CB 3.3Å; G144-S148 PolarHBondContact O-OG 3.08Å
145I95Very high95.4Very high113 Ų11379.1 Ų79.158%0.57943%0.433SS*.Hα-helixtrans-82.4-39.3175-64.9171.8000111.8T141 C143 A149T141-I145 HydrophobicContact CG2-CD1 3.72Å; T141-I145 HydrophobicContact CG2-CG1 4.47Å; T141-I145 WeakPolarHBondContact O-CB 3.36Å; T141-I145 VanDerWaalsContact O-CG1 3.29Å; T141-I145 WeakPolarHBondContact O-CG1 3.45Å; T141-I145 PolarHBondContact O-N 3.49Å; T141-I145 VanDerWaalsContact O-N 3.09Å; C143-I145 VanDerWaalsContact C-N 3.26Å; C143-I145 PolarHBondContact O-N 3.39Å; C143-I145 VanDerWaalsContact O-N 3.07Å; I145-A149 WeakPolarHBondContact O-CB 3.19Å; I145-A149 PolarHBondContact O-N 3Å
146G93.8Very high95.5Very high18 Ų1882.5 Ų82.519%0.18644%0.443CS..Hα-helixtrans-69.6-47.2-178.700000112.4Y83 V142 C143 L150Y83-G146 WeakPolarHBondContact CE1-O 3.36Å; Y83-G146 PolarHBondContact OH-O 2.94Å; V142-G146 PolarHBondContact O-N 3.11Å; C143-G146 PolarHBondContact O-N 3.31Å; G146-L150 VanDerWaalsContact O-CB 3.3Å; G146-L150 WeakPolarHBondContact O-CB 3.45Å; G146-L150 PolarHBondContact O-N 2.91Å
147D94.5Very high95.5Very high99 Ų9979.3 Ų79.353%0.52943%0.433SS..Hα-helixtrans-64-51.1-179.4-56.9-25.1000110.1C143 A149 L150 E151C143-D147 VanDerWaalsContact C-OD2 3.27Å; C143-D147 WeakPolarHBondContact CB-OD2 3.49Å; C143-D147 VanDerWaalsContact O-CB 3.24Å; C143-D147 WeakPolarHBondContact O-CB 3.47Å; C143-D147 PolarHBondContact O-N 3.39Å; C143-D147 VanDerWaalsContact O-OD2 3.09Å; D147-A149 PolarHBondContact O-N 3.44Å; D147-L150 PolarHBondContact O-N 3.31Å; D147-L150 VanDerWaalsContact O-N 3.17Å; D147-E151 WeakPolarHBondContact O-CB 3.28Å; D147-E151 PolarHBondContact O-N 2.98Å
148S96.1Very high95.6Very high50 Ų5078.2 Ų78.235%0.3544%0.435SS..Hα-helixtrans-65.3-41.2-17979.80000112.5G144 L150 E151 E152G144-S148 WeakPolarHBondContact O-CB 3.3Å; G144-S148 PolarHBondContact O-OG 3.08Å; S148-L150 PolarHBondContact O-N 3.4Å; S148-E151 PolarHBondContact O-N 3.38Å; S148-E152 WeakPolarHBondContact O-CB 3.32Å; S148-E152 WeakPolarHBondContact O-CG 3.46Å; S148-E152 PolarHBondContact O-N 3.47Å
149A96Very high95.7Very high41 Ų4178.5 Ų78.534%0.33944%0.44SS..Hα-helixtrans-69.8-22.5177.400000112.9Y83 I145 D147 A153Y83-A149 VanDerWaalsContact OH-C 3.31Å; Y83-A149 WeakPolarHBondContact OH-CB 3.39Å; I145-A149 WeakPolarHBondContact O-CB 3.19Å; I145-A149 PolarHBondContact O-N 3Å; D147-A149 PolarHBondContact O-N 3.44Å; A149-A153 WeakPolarHBondContact O-CB 3.48Å; A149-A153 PolarHBondContact O-N 3.05Å
150L96.3Very high95.9Very high63 Ų6378.4 Ų78.433%0.3344%0.437SS..Hα-helixtrans-81.3-42173-175.156000111.2Y83 G146 D147 S148 A153 V154Y83-L150 HydrophobicContact CD1-CB 4.47Å; Y83-L150 HydrophobicContact CD1-CD1 4.38Å; Y83-L150 HydrophobicContact CD1-CD2 4.09Å; Y83-L150 HydrophobicContact CD2-CD1 3.99Å; Y83-L150 HydrophobicContact CE1-CB 3.78Å; Y83-L150 HydrophobicContact CE1-CD1 4.3Å; Y83-L150 HydrophobicContact CE1-CD2 4.22Å; Y83-L150 HydrophobicContact CE1-CG 4.32Å; Y83-L150 HydrophobicContact CE2-CB 4.47Å; Y83-L150 HydrophobicContact CE2-CD1 3.9Å; Y83-L150 HydrophobicContact CG-CD1 4.23Å; Y83-L150 PolarHBondContact OH-N 2.9Å; G146-L150 VanDerWaalsContact O-CB 3.3Å; G146-L150 WeakPolarHBondContact O-CB 3.45Å; G146-L150 PolarHBondContact O-N 2.91Å; D147-L150 PolarHBondContact O-N 3.31Å; D147-L150 VanDerWaalsContact O-N 3.17Å; S148-L150 PolarHBondContact O-N 3.4Å; L150-A153 PolarHBondContact O-N 3.42Å; L150-V154 WeakPolarHBondContact O-CG2 3.27Å; L150-V154 PolarHBondContact O-N 2.87Å
151E96.9Very high95.9Very high131 Ų13174.6 Ų74.661%0.61244%0.435SS*.Hα-helixtrans-61.6-51176.3-170.6167.9-141.900111.2D147 S148 A153 V154 D155D147-E151 WeakPolarHBondContact O-CB 3.28Å; D147-E151 PolarHBondContact O-N 2.98Å; S148-E151 PolarHBondContact O-N 3.38Å; E151-A153 PolarHBondContact O-N 2.99Å; E151-V154 PolarHBondContact O-N 3.37Å; E151-V154 VanDerWaalsContact O-N 3.11Å; E151-D155 PolarHBondContact O-N 3.12Å
152E96.6Very high96.1Very high140 Ų14077.4 Ų77.465%0.65444%0.442SS*.Hα-helixtrans-54.9-38.9173.1-76.1178.7-160.100112.4S148 Y156S148-E152 WeakPolarHBondContact O-CB 3.32Å; S148-E152 WeakPolarHBondContact O-CG 3.46Å; S148-E152 PolarHBondContact O-N 3.47Å; E152-Y156 VanDerWaalsContact O-CB 3.28Å; E152-Y156 WeakPolarHBondContact O-CB 3.48Å; E152-Y156 PolarHBondContact O-N 3.18Å
153A96.3Very high96.3Very high16 Ų1678.5 Ų78.513%0.13245%0.445CS..Hα-helixtrans-71.2-40.917800000112.2M79 A149 L150 E151 Y156 F157M79-A153 HydrophobicContact CE-CB 3.96Å; M79-A153 HydrophobicContact SD-CB 4.1Å; A149-A153 WeakPolarHBondContact O-CB 3.48Å; A149-A153 PolarHBondContact O-N 3.05Å; L150-A153 PolarHBondContact O-N 3.42Å; E151-A153 PolarHBondContact O-N 2.99Å; A153-Y156 PolarHBondContact O-N 3.23Å; A153-F157 HydrophobicContact CB-CE2 4.32Å; A153-F157 WeakPolarHBondContact O-CD2 3.45Å; A153-F157 WeakPolarHBondContact O-CG 3.39Å; A153-F157 PolarHBondContact O-N 3.43Å
154V97.2Very high96.4Very high85 Ų8581.2 Ų81.252%0.51546%0.456SS..Hα-helixtrans-62.4-47.9176.4166.80000110.7L150 E151 Y156 F157 A158L150-V154 WeakPolarHBondContact O-CG2 3.27Å; L150-V154 PolarHBondContact O-N 2.87Å; E151-V154 PolarHBondContact O-N 3.37Å; E151-V154 VanDerWaalsContact O-N 3.11Å; V154-Y156 PolarHBondContact O-N 3.32Å; V154-F157 PolarHBondContact O-N 2.73Å; V154-A158 PolarHBondContact O-N 3.4Å
155D97.6Very high96.6Very high107 Ų10783.7 Ų83.757%0.57246%0.456SS*.Hα-helixtrans-62.7-41.6177.7-83-5.9000112.1E151 F157 A158 S159E151-D155 PolarHBondContact O-N 3.12Å; D155-F157 PolarHBondContact O-N 3.12Å; D155-A158 PolarHBondContact O-N 3.15Å; D155-S159 PolarHBondContact O-N 3.07Å
156Y97.1Very high96.8Very high149 Ų14982.1 Ų82.158%0.58445%0.446SS*.Hα-helixtrans-59.1-45.9173.6178-101.1000111.9E152 A153 V154 S159 V160E152-Y156 VanDerWaalsContact O-CB 3.28Å; E152-Y156 WeakPolarHBondContact O-CB 3.48Å; E152-Y156 PolarHBondContact O-N 3.18Å; A153-Y156 PolarHBondContact O-N 3.23Å; V154-Y156 PolarHBondContact O-N 3.32Å; Y156-S159 PolarHBondContact O-N 3.46Å; Y156-V160 HydrophobicContact CD1-CG2 4.28Å; Y156-V160 HydrophobicContact CD2-CG2 4.4Å; Y156-V160 HydrophobicContact CE1-CG2 3.82Å; Y156-V160 HydrophobicContact CE2-CG2 3.94Å; Y156-V160 WeakPolarHBondContact O-CB 3.37Å; Y156-V160 VanDerWaalsContact O-CG2 3.32Å; Y156-V160 WeakPolarHBondContact O-CG2 3.45Å; Y156-V160 PolarHBondContact O-N 3.35Å
157F96.1Very high96.9Very high65 Ų6586.1 Ų86.129%0.28546%0.458SS..Hα-helixtrans-71-29.6178.5-67.6-52.7000113.2I76 M79 A153 V154 D155 S161I76-F157 HydrophobicContact CD1-CD1 3.99Å; I76-F157 HydrophobicContact CD1-CE1 3.55Å; I76-F157 HydrophobicContact CD1-CZ 3.89Å; I76-F157 HydrophobicContact CG1-CE1 3.8Å; I76-F157 HydrophobicContact CG1-CE2 4.2Å; I76-F157 HydrophobicContact CG1-CZ 3.59Å; M79-F157 HydrophobicContact CE-CE2 3.97Å; M79-F157 HydrophobicContact SD-CE2 4.39Å; A153-F157 HydrophobicContact CB-CE2 4.32Å; A153-F157 WeakPolarHBondContact O-CD2 3.45Å; A153-F157 WeakPolarHBondContact O-CG 3.39Å; A153-F157 PolarHBondContact O-N 3.43Å; V154-F157 PolarHBondContact O-N 2.73Å; D155-F157 PolarHBondContact O-N 3.12Å; F157-S161 VanDerWaalsContact O-CB 3.26Å; F157-S161 WeakPolarHBondContact O-CB 3.28Å; F157-S161 PolarHBondContact O-N 3.42Å
158A98Very high97.1Very high56 Ų5684.6 Ų84.646%0.46345%0.45SS..Hα-helixtrans-63.2-49.8170.300000111.3V154 D155 V160 S161 E162V154-A158 PolarHBondContact O-N 3.4Å; D155-A158 PolarHBondContact O-N 3.15Å; A158-V160 PolarHBondContact O-N 3.37Å; A158-S161 WeakPolarHBondContact O-CB 3.18Å; A158-S161 PolarHBondContact O-N 3.08Å; A158-S161 VanDerWaalsContact O-N 3.15Å; A158-E162 PolarHBondContact O-N 3.45Å
159S98.2Very high97.2Very high74 Ų7487.2 Ų87.252%0.51746%0.455SS..Hα-helixtrans-61.7-42.8177.4-174.80000112.7D155 Y156 S161 E162 L163D155-S159 PolarHBondContact O-N 3.07Å; Y156-S159 PolarHBondContact O-N 3.46Å; S159-S161 VanDerWaalsContact C-N 3.32Å; S159-S161 PolarHBondContact O-N 2.87Å; S159-E162 PolarHBondContact O-N 2.94Å; S159-L163 WeakPolarHBondContact O-CB 3.49Å; S159-L163 PolarHBondContact O-N 3.47Å; S159-L163 VanDerWaalsContact O-N 3.08Å
160V96.8Very high97.2Very high40 Ų4089.1 Ų89.124%0.24246%0.458CS..Hα-helixtrans-64.6-36.3174.7169.70000111.7Y156 A158 L164Y156-V160 HydrophobicContact CD1-CG2 4.28Å; Y156-V160 HydrophobicContact CD2-CG2 4.4Å; Y156-V160 HydrophobicContact CE1-CG2 3.82Å; Y156-V160 HydrophobicContact CE2-CG2 3.94Å; Y156-V160 WeakPolarHBondContact O-CB 3.37Å; Y156-V160 VanDerWaalsContact O-CG2 3.32Å; Y156-V160 WeakPolarHBondContact O-CG2 3.45Å; Y156-V160 PolarHBondContact O-N 3.35Å; A158-V160 PolarHBondContact O-N 3.37Å; V160-L164 HydrophobicContact CG1-CD1 3.83Å; V160-L164 HydrophobicContact CG1-CG 4.3Å; V160-L164 WeakPolarHBondContact O-CB 3.45Å; V160-L164 VanDerWaalsContact O-CG 3.24Å; V160-L164 WeakPolarHBondContact O-CG 3.37Å; V160-L164 PolarHBondContact O-N 3.47Å
161S96.9Very high97.3Very high77 Ų7791 Ų9154%0.53846%0.464SS..Hα-helixtrans-63.4-47.7176.2-171.20000111.9F157 A158 S159 L163 L164 E165F157-S161 VanDerWaalsContact O-CB 3.26Å; F157-S161 WeakPolarHBondContact O-CB 3.28Å; F157-S161 PolarHBondContact O-N 3.42Å; A158-S161 WeakPolarHBondContact O-CB 3.18Å; A158-S161 PolarHBondContact O-N 3.08Å; A158-S161 VanDerWaalsContact O-N 3.15Å; S159-S161 VanDerWaalsContact C-N 3.32Å; S159-S161 PolarHBondContact O-N 2.87Å; S161-L163 PolarHBondContact O-N 2.92Å; S161-L164 PolarHBondContact O-N 2.99Å; S161-E165 PolarHBondContact O-N 3.05Å
162E98.2Very high97.3Very high143 Ų14391.9 Ų91.967%0.66846%0.461SS*.Hα-helixtrans-59.2-48176.4-174.8-177.9-17100111.5A158 S159 L164 E165 E166A158-E162 PolarHBondContact O-N 3.45Å; S159-E162 PolarHBondContact O-N 2.94Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-L164 PolarHBondContact O-N 3.4Å; E162-E165 PolarHBondContact O-N 3.46Å; E162-E165 VanDerWaalsContact O-N 3.13Å; E162-E166 PolarHBondContact O-N 2.93Å
163L97.6Very high97.4Very high87 Ų8789.5 Ų89.546%0.45546%0.457SS..Hα-helixtrans-59-42.9178178.662.8000112.3S159 S161 E166 K167S159-L163 WeakPolarHBondContact O-CB 3.49Å; S159-L163 PolarHBondContact O-N 3.47Å; S159-L163 VanDerWaalsContact O-N 3.08Å; S161-L163 PolarHBondContact O-N 2.92Å; L163-E166 PolarHBondContact O-N 3.22Å; L163-K167 HydrophobicContact CD1-CD 4.39Å; L163-K167 WeakPolarHBondContact O-CG 3.36Å; L163-K167 PolarHBondContact O-N 2.92Å
164L96.5Very high97.4Very high109 Ų10992.9 Ų92.957%0.57147%0.472SS*.Hα-helixtrans-68.1-35.6176.5-72.8173.4000111.8V160 S161 E162 K167 L168V160-L164 HydrophobicContact CG1-CD1 3.83Å; V160-L164 HydrophobicContact CG1-CG 4.3Å; V160-L164 WeakPolarHBondContact O-CB 3.45Å; V160-L164 VanDerWaalsContact O-CG 3.24Å; V160-L164 WeakPolarHBondContact O-CG 3.37Å; V160-L164 PolarHBondContact O-N 3.47Å; S161-L164 PolarHBondContact O-N 2.99Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-L164 PolarHBondContact O-N 3.4Å; L164-K167 PolarHBondContact O-N 2.92Å; L164-L168 WeakPolarHBondContact O-CB 2.89Å; L164-L168 PolarHBondContact O-N 3.43Å
165E98Very high97.3Very high95 Ų9594.1 Ų94.144%0.44447%0.472SS..Hα-helixtrans-66.9-40.9175.2-149.3-150.3151.800111.8S161 E162 L168 K169S161-E165 PolarHBondContact O-N 3.05Å; E162-E165 PolarHBondContact O-N 3.46Å; E162-E165 VanDerWaalsContact O-N 3.13Å; E165-L168 PolarHBondContact O-N 3.13Å; E165-K169 VanDerWaalsContact CD-CE 3.42Å; E165-K169 WeakPolarHBondContact O-CD 2.94Å; E165-K169 VanDerWaalsContact O-CG 3.27Å; E165-K169 WeakPolarHBondContact O-CG 3.38Å; E165-K169 PolarHBondContact O-N 3.2Å; E165-K169 WeakPolarHBondContact OE1-CE 3.46Å; E165-K169 IonicContact OE1-NZ 3.27Å; E165-K169 PolarHBondContact OE1-NZ 3.15Å; E165-K169 IonicContact OE2-NZ 2.69Å; E165-K169 PolarHBondContact OE2-NZ 2.96Å
166E98.1Very high97.3Very high79 Ų7990.8 Ų90.837%0.36946%0.46SS..Hα-helixtrans-59-49172.6-172.6-124.9118.100111.2E162 L163 L168 K169 I170E162-E166 PolarHBondContact O-N 2.93Å; L163-E166 PolarHBondContact O-N 3.22Å; E166-L168 VanDerWaalsContact C-N 3.29Å; E166-L168 PolarHBondContact O-N 3.48Å; E166-K169 WeakPolarHBondContact O-CB 3.29Å; E166-K169 PolarHBondContact O-N 3.03Å; E166-I170 HydrophobicContact CG-CD1 4.43Å; E166-I170 WeakPolarHBondContact O-CG1 3.26Å; E166-I170 PolarHBondContact O-N 3.08Å; E166-I170 WeakPolarHBondContact OE1-CD1 3.37Å
167K96.7Very high97.3Very high102 Ų10292 Ų9244%0.44346%0.463SS..Hα-helixtrans-66.4-33.5178.9-61.2-19.2-177.3-155.40111.6L163 L164 I170 K171L163-K167 HydrophobicContact CD1-CD 4.39Å; L163-K167 WeakPolarHBondContact O-CG 3.36Å; L163-K167 PolarHBondContact O-N 2.92Å; L164-K167 PolarHBondContact O-N 2.92Å; K167-I170 PolarHBondContact O-N 2.86Å; K167-K171 WeakPolarHBondContact O-CB 3.4Å; K167-K171 PolarHBondContact O-N 3.04Å
168L97Very high97.3Very high68 Ų6891.5 Ų91.536%0.35646%0.462SS..Hα-helixtrans-67.7-39.9174.6-179.159.6000112.4L164 E165 E166 R172L164-L168 WeakPolarHBondContact O-CB 2.89Å; L164-L168 PolarHBondContact O-N 3.43Å; E165-L168 PolarHBondContact O-N 3.13Å; E166-L168 VanDerWaalsContact C-N 3.29Å; E166-L168 PolarHBondContact O-N 3.48Å; L168-R172 HydrophobicContact CD1-CG 4.45Å; L168-R172 WeakPolarHBondContact O-CB 3.25Å; L168-R172 WeakPolarHBondContact O-CD 3.18Å; L168-R172 VanDerWaalsContact O-CG 3.27Å; L168-R172 WeakPolarHBondContact O-CG 3.49Å; L168-R172 PolarHBondContact O-N 3.15Å; L168-R172 VanDerWaalsContact O-N 3.08Å
169K98.3Very high97.2Very high105 Ų10594.1 Ų94.146%0.45747%0.467SS..Hα-helixtrans-59.3-49.3170.8-72.6159-178.5157.20110.4E165 E166 R172 T173E165-K169 VanDerWaalsContact CD-CE 3.42Å; E165-K169 WeakPolarHBondContact O-CD 2.94Å; E165-K169 VanDerWaalsContact O-CG 3.27Å; E165-K169 WeakPolarHBondContact O-CG 3.38Å; E165-K169 PolarHBondContact O-N 3.2Å; E165-K169 WeakPolarHBondContact OE1-CE 3.46Å; E165-K169 IonicContact OE1-NZ 3.27Å; E165-K169 PolarHBondContact OE1-NZ 3.15Å; E165-K169 IonicContact OE2-NZ 2.69Å; E165-K169 PolarHBondContact OE2-NZ 2.96Å; E166-K169 WeakPolarHBondContact O-CB 3.29Å; E166-K169 PolarHBondContact O-N 3.03Å; K169-R172 PolarHBondContact O-N 3.37Å; K169-T173 WeakPolarHBondContact O-CG2 3.28Å; K169-T173 PolarHBondContact O-N 3.25Å; K169-T173 VanDerWaalsContact O-N 3.12Å; K169-T173 PolarHBondContact O-OG1 2.99Å
170I98.1Very high97.2Very high81 Ų8198.2 Ų98.242%0.41547%0.471SS..Hα-helixtrans-61.7-48.1178.5-66.7172.7000111.5E166 K167 R172 T173 L174E166-I170 HydrophobicContact CG-CD1 4.43Å; E166-I170 WeakPolarHBondContact O-CG1 3.26Å; E166-I170 PolarHBondContact O-N 3.08Å; E166-I170 WeakPolarHBondContact OE1-CD1 3.37Å; K167-I170 PolarHBondContact O-N 2.86Å; I170-R172 PolarHBondContact O-N 3.42Å; I170-T173 PolarHBondContact O-N 2.83Å; I170-T173 PolarHBondContact O-OG1 2.94Å; I170-L174 HydrophobicContact CG2-CD1 3.93Å; I170-L174 PolarHBondContact O-N 3.5Å; I170-L174 VanDerWaalsContact O-N 3.11Å
171K97.1Very high97.1Very high102 Ų10299.4 Ų99.444%0.44348%0.475SS..Hα-helixtrans-53-52.6176.5-179.3-178.4175.61790111.3M62 K167 T173 L174 E175M62-K171 PolarHBondContact SD-NZ 3Å; K167-K171 WeakPolarHBondContact O-CB 3.4Å; K167-K171 PolarHBondContact O-N 3.04Å; K171-T173 VanDerWaalsContact C-N 3.35Å; K171-T173 PolarHBondContact O-N 3.19Å; K171-L174 PolarHBondContact O-N 2.9Å; K171-E175 VanDerWaalsContact O-CB 3.28Å; K171-E175 WeakPolarHBondContact O-CB 3.29Å; K171-E175 PolarHBondContact O-N 3.48Å
172R97.4Very high97Very high149 Ų14998.3 Ų98.356%0.56246%0.463SS*.Hα-helixtrans-59.1-40.7-178.6-73.9168.1173.2163-2.7112.8L168 K169 I170 A176L168-R172 HydrophobicContact CD1-CG 4.45Å; L168-R172 WeakPolarHBondContact O-CB 3.25Å; L168-R172 WeakPolarHBondContact O-CD 3.18Å; L168-R172 VanDerWaalsContact O-CG 3.27Å; L168-R172 WeakPolarHBondContact O-CG 3.49Å; L168-R172 PolarHBondContact O-N 3.15Å; L168-R172 VanDerWaalsContact O-N 3.08Å; K169-R172 PolarHBondContact O-N 3.37Å; I170-R172 PolarHBondContact O-N 3.42Å; R172-A176 VanDerWaalsContact O-CB 3.26Å; R172-A176 WeakPolarHBondContact O-CB 3.32Å; R172-A176 PolarHBondContact O-N 2.89Å
173T98.3Very high96.9Very high90 Ų9094.9 Ų94.955%0.55245%0.452SS*.Hα-helixtrans-68.7-40.5178.9590000112.6K169 I170 K171 R177K169-T173 WeakPolarHBondContact O-CG2 3.28Å; K169-T173 PolarHBondContact O-N 3.25Å; K169-T173 VanDerWaalsContact O-N 3.12Å; K169-T173 PolarHBondContact O-OG1 2.99Å; I170-T173 PolarHBondContact O-N 2.83Å; I170-T173 PolarHBondContact O-OG1 2.94Å; K171-T173 VanDerWaalsContact C-N 3.35Å; K171-T173 PolarHBondContact O-N 3.19Å; T173-R177 WeakPolarHBondContact O-CB 3.21Å; T173-R177 PolarHBondContact O-N 3.27Å
174L96.9Very high96.8Very high88 Ų8897 Ų9746%0.46146%0.459SS..Hα-helixtrans-67.5-43.6176.2-70.3173.4000112I170 K171 R177 M178I170-L174 HydrophobicContact CG2-CD1 3.93Å; I170-L174 PolarHBondContact O-N 3.5Å; I170-L174 VanDerWaalsContact O-N 3.11Å; K171-L174 PolarHBondContact O-N 2.9Å; L174-R177 PolarHBondContact O-N 3.23Å; L174-M178 WeakPolarHBondContact O-CB 3.22Å; L174-M178 PolarHBondContact O-N 3.3Å
175E95.3Very high96.6Very high110 Ų11093.8 Ų93.851%0.51444%0.443SS..Hα-helixtrans-60-48.1175.8-173.1173.2173.300111.2K171 R177 M178 M179K171-E175 VanDerWaalsContact O-CB 3.28Å; K171-E175 WeakPolarHBondContact O-CB 3.29Å; K171-E175 PolarHBondContact O-N 3.48Å; E175-R177 VanDerWaalsContact C-N 3.34Å; E175-R177 PolarHBondContact O-N 2.88Å; E175-M178 PolarHBondContact O-N 3.48Å; E175-M179 WeakPolarHBondContact O-CG 3.2Å; E175-M179 PolarHBondContact O-N 3.46Å
176A97.8Very high96.4Very high38 Ų3894.7 Ų94.731%0.31445%0.447SS..Hα-helixtrans-64.6-33.1174.800000113.2R172 R180R172-A176 VanDerWaalsContact O-CB 3.26Å; R172-A176 WeakPolarHBondContact O-CB 3.32Å; R172-A176 PolarHBondContact O-N 2.89Å; A176-R180 VanDerWaalsContact C-NH1 3.28Å; A176-R180 VanDerWaalsContact O-CG 3.29Å; A176-R180 WeakPolarHBondContact O-CG 3.47Å; A176-R180 PolarHBondContact O-N 3.11Å; A176-R180 PolarHBondContact O-NH1 3.46Å; A176-R180 VanDerWaalsContact O-NH1 3.09Å
177R97.3Very high96Very high173 Ų17397 Ų9765%0.65346%0.459SS*.Hα-helixtrans-68.6-40.1173.2-171.6178.270.7161.40.3111.3T173 L174 E175 R180 L181T173-R177 WeakPolarHBondContact O-CB 3.21Å; T173-R177 PolarHBondContact O-N 3.27Å; L174-R177 PolarHBondContact O-N 3.23Å; E175-R177 VanDerWaalsContact C-N 3.34Å; E175-R177 PolarHBondContact O-N 2.88Å; R177-R180 PolarHBondContact O-N 2.94Å; R177-L181 PolarHBondContact O-N 2.89Å
178M95.6Very high95.6Very high55 Ų5595.3 Ų95.327%0.27147%0.465SS..Hα-helixtrans-69.5-41.9-179.7-166.561.9141.600111.9F47 Y55 L174 E175 R180 L181 L182F47-M178 HydrophobicContact CZ-CE 4.34Å; Y55-M178 HydrophobicContact CE2-CE 4.37Å; Y55-M178 WeakPolarHBondContact OH-CG 3.41Å; L174-M178 WeakPolarHBondContact O-CB 3.22Å; L174-M178 PolarHBondContact O-N 3.3Å; E175-M178 PolarHBondContact O-N 3.48Å; M178-R180 PolarHBondContact O-N 2.81Å; M178-L181 WeakPolarHBondContact O-CB 3.39Å; M178-L181 PolarHBondContact O-N 3.22Å; M178-L181 VanDerWaalsContact O-N 3.16Å; M178-L181 HydrophobicContact SD-CD2 4.11Å; M178-L182 WeakPolarHBondContact O-CG 3.5Å; M178-L182 PolarHBondContact O-N 3.45Å
179M95.8Very high95.1Very high112 Ų11295.1 Ų95.155%0.55247%0.469SS*.Hα-helixtrans-57-47.1171.6-76.2-65.8-69.700111.9E175 L181 L182 T183E175-M179 WeakPolarHBondContact O-CG 3.2Å; E175-M179 PolarHBondContact O-N 3.46Å; M179-L181 VanDerWaalsContact C-N 3.31Å; M179-L181 PolarHBondContact O-N 3.15Å; M179-L182 PolarHBondContact O-N 2.91Å; M179-T183 PolarHBondContact O-N 3.4Å; M179-T183 PolarHBondContact O-OG1 3.37Å
180R97Very high94.4Very high159 Ų15995.8 Ų95.860%0.648%0.477SS*.Hα-helixtrans-59.1-40.2175.2-70.1175.7-165.9109.8-12.2112.4A176 R177 M178 T183 Q184A176-R180 VanDerWaalsContact C-NH1 3.28Å; A176-R180 VanDerWaalsContact O-CG 3.29Å; A176-R180 WeakPolarHBondContact O-CG 3.47Å; A176-R180 PolarHBondContact O-N 3.11Å; A176-R180 PolarHBondContact O-NH1 3.46Å; A176-R180 VanDerWaalsContact O-NH1 3.09Å; R177-R180 PolarHBondContact O-N 2.94Å; M178-R180 PolarHBondContact O-N 2.81Å; R180-T183 PolarHBondContact O-N 3.41Å; R180-Q184 WeakPolarHBondContact O-CB 3.21Å; R180-Q184 VanDerWaalsContact O-CG 3.28Å; R180-Q184 WeakPolarHBondContact O-CG 3.15Å; R180-Q184 PolarHBondContact O-N 3.11Å
181L96.1Very high93.4Very high66 Ų66102 Ų10235%0.34650%0.495SS..Hα-helixtrans-64-43.4176.8178.363.1000111.8F47 R177 M178 M179 Q184 I185F47-L181 HydrophobicContact CE1-CD2 4.19Å; F47-L181 HydrophobicContact CZ-CD2 3.94Å; R177-L181 PolarHBondContact O-N 2.89Å; M178-L181 WeakPolarHBondContact O-CB 3.39Å; M178-L181 PolarHBondContact O-N 3.22Å; M178-L181 VanDerWaalsContact O-N 3.16Å; M178-L181 HydrophobicContact SD-CD2 4.11Å; M179-L181 VanDerWaalsContact C-N 3.31Å; M179-L181 PolarHBondContact O-N 3.15Å; L181-Q184 PolarHBondContact O-N 3.22Å; L181-I185 HydrophobicContact CD1-CD1 4.21Å; L181-I185 HydrophobicContact CD1-CG1 4.46Å; L181-I185 HydrophobicContact CG-CD1 4.06Å; L181-I185 WeakPolarHBondContact O-CG1 3.31Å; L181-I185 PolarHBondContact O-N 2.91Å
182L94.9Very high92.1Very high53 Ų53105.8 Ų105.828%0.27751%0.511SS..Hα-helixtrans-62.2-46.8176.8-67.2172.8000111.3L48 M178 M179 Q184 I185 E186L48-L182 HydrophobicContact CD2-CD2 3.48Å; L48-L182 VanDerWaalsContact CD2-CD2 3.48Å; M178-L182 WeakPolarHBondContact O-CG 3.5Å; M178-L182 PolarHBondContact O-N 3.45Å; M179-L182 PolarHBondContact O-N 2.91Å; L182-Q184 VanDerWaalsContact C-N 3.31Å; L182-Q184 PolarHBondContact O-N 2.82Å; L182-I185 PolarHBondContact O-N 2.92Å; L182-E186 PolarHBondContact O-N 3.49Å
183T95.7Very high90.3Very high71 Ų71104.2 Ų104.244%0.43652%0.521SS..Hα-helixtrans-61.8-36.5174.4-54.10000112.3M179 R180 E186 M187M179-T183 PolarHBondContact O-N 3.4Å; M179-T183 PolarHBondContact O-OG1 3.37Å; R180-T183 PolarHBondContact O-N 3.41Å; T183-E186 PolarHBondContact O-N 2.76Å; T183-M187 HydrophobicContact CG2-CG 4.25Å; T183-M187 WeakPolarHBondContact O-CB 3.34Å; T183-M187 VanDerWaalsContact O-CG 3.23Å; T183-M187 WeakPolarHBondContact O-CG 3.35Å; T183-M187 PolarHBondContact O-N 3.31Å
184Q94.3Very high87.9Confident131 Ų131102 Ų10261%0.61252%0.516SS*.Hα-helixtrans-66.5-39174.9-77.8174.6-5.100112.5R180 L181 L182 A188R180-Q184 WeakPolarHBondContact O-CB 3.21Å; R180-Q184 VanDerWaalsContact O-CG 3.28Å; R180-Q184 WeakPolarHBondContact O-CG 3.15Å; R180-Q184 PolarHBondContact O-N 3.11Å; L181-Q184 PolarHBondContact O-N 3.22Å; L182-Q184 VanDerWaalsContact C-N 3.31Å; L182-Q184 PolarHBondContact O-N 2.82Å; Q184-A188 WeakPolarHBondContact O-CB 3.43Å; Q184-A188 PolarHBondContact O-N 3.33Å
185I93.3Very high85.8Confident42 Ų42100.5 Ų100.522%0.21552%0.522CS..Hα-helixtrans-66.1-41.5175.1-67.7164.6000110.7A44 F47 L48 L181 L182 A188 S189A44-I185 HydrophobicContact CB-CG2 4.29Å; F47-I185 HydrophobicContact CD1-CD1 4.08Å; F47-I185 HydrophobicContact CE1-CD1 4.05Å; L48-I185 HydrophobicContact CD1-CG2 4.33Å; L181-I185 HydrophobicContact CD1-CD1 4.21Å; L181-I185 HydrophobicContact CD1-CG1 4.46Å; L181-I185 HydrophobicContact CG-CD1 4.06Å; L181-I185 WeakPolarHBondContact O-CG1 3.31Å; L181-I185 PolarHBondContact O-N 2.91Å; L182-I185 PolarHBondContact O-N 2.92Å; I185-A188 PolarHBondContact O-N 2.82Å; I185-S189 PolarHBondContact O-N 2.81Å
186E92.7Very high83.7Confident115 Ų115103.1 Ų103.154%0.53753%0.534SS..Hα-helixtrans-62.5-52.1175-177.7174.7-153.300111.8L182 T183 A188 S189 L190L182-E186 PolarHBondContact O-N 3.49Å; T183-E186 PolarHBondContact O-N 2.76Å; E186-A188 VanDerWaalsContact C-N 3.26Å; E186-A188 PolarHBondContact O-N 2.71Å; E186-S189 PolarHBondContact O-N 3.3Å; E186-S189 VanDerWaalsContact O-N 3.1Å; E186-S189 PolarHBondContact O-OG 3.5Å; E186-L190 HydrophobicContact CG-CD1 4.2Å; E186-L190 WeakPolarHBondContact O-CG 3.25Å; E186-L190 PolarHBondContact O-N 2.85Å
187M91.5Very high81.4Confident126 Ų126107.8 Ų107.862%0.62155%0.553SS**Hα-helixtrans-62.1-32.5177.7-69.7-65.4-68.800112.7T183 R191T183-M187 HydrophobicContact CG2-CG 4.25Å; T183-M187 WeakPolarHBondContact O-CB 3.34Å; T183-M187 VanDerWaalsContact O-CG 3.23Å; T183-M187 WeakPolarHBondContact O-CG 3.35Å; T183-M187 PolarHBondContact O-N 3.31Å; M187-R191 PolarHBondContact O-N 3.46Å
188A88.3Confident79.3Confident68 Ų68103.9 Ų103.956%0.56255%0.553SS**Hα-helixtrans-71.4-34.7174.200000113Q184 I185 E186 R191Q184-A188 WeakPolarHBondContact O-CB 3.43Å; Q184-A188 PolarHBondContact O-N 3.33Å; I185-A188 PolarHBondContact O-N 2.82Å; E186-A188 VanDerWaalsContact C-N 3.26Å; E186-A188 PolarHBondContact O-N 2.71Å; A188-R191 PolarHBondContact O-N 2.88Å
189S85.9Confident77.2Confident63 Ų63104.7 Ų104.744%0.44157%0.568SS.*Hα-helixtrans-74.1-29.5177.176.20000112.8I185 E186 R191I185-S189 PolarHBondContact O-N 2.81Å; E186-S189 PolarHBondContact O-N 3.3Å; E186-S189 VanDerWaalsContact O-N 3.1Å; E186-S189 PolarHBondContact O-OG 3.5Å; S189-R191 VanDerWaalsContact C-N 3.33Å
190L83.3Confident75.2Confident120 Ų120106.2 Ų106.263%0.62858%0.578SS**SBendtrans-78.2-13.3174.9-65.6173.5000113.8E186 K192E186-L190 HydrophobicContact CG-CD1 4.2Å; E186-L190 WeakPolarHBondContact O-CG 3.25Å; E186-L190 PolarHBondContact O-N 2.85Å; L190-K192 PolarHBondContact O-N 2.83Å; L190-K192 VanDerWaalsContact O-N 3.11Å
191R77.1Confident73Confident211 Ų211107.2 Ų107.280%0.79659%0.587SS**  trans-70.8105.6-179.6-173.5173-175.91542.2110.7M187 A188 S189M187-R191 PolarHBondContact O-N 3.46Å; A188-R191 PolarHBondContact O-N 2.88Å; S189-R191 VanDerWaalsContact C-N 3.33Å
192K69.2Low71Confident181 Ų181109.3 Ų109.379%0.78761%0.607SS**PPolyproline II helixtrans-60.1145.6168.3-66.6-170.5177.5-176.30110.5L190L190-K192 PolarHBondContact O-N 2.83Å; L190-K192 VanDerWaalsContact O-N 3.11Å
193P60.3Low69.3Low117 Ų117115.8 Ų115.876%0.7664%0.636SS**PPolyproline II helixtrans-53.2139.6163.2-22.733.7000110
194G47.4Very low67.7Low43 Ų43119.2 Ų119.244%0.44365%0.651SS.*PPolyproline II helixtrans-64.4144.6176.500000110.7E196G194-E196 PolarHBondContact O-N 2.89Å; G194-E196 VanDerWaalsContact O-N 3.1Å
195G52.6Low66.4Low57 Ų57118.7 Ų118.759%0.58866%0.662SS**G310 helixtrans-71.33.617600000114.1S198G195-S198 VanDerWaalsContact O-CB 3.26Å; G195-S198 WeakPolarHBondContact O-CB 3.5Å; G195-S198 PolarHBondContact O-N 3.16Å; G195-S198 VanDerWaalsContact O-N 3.15Å
196E51.2Low64.9Low164 Ų164119.6 Ų119.677%0.76668%0.682SS**G310 helixtrans-73.3-35.1-170.9-64.5164.5-104.500111.5G194 S198 A199G194-E196 PolarHBondContact O-N 2.89Å; G194-E196 VanDerWaalsContact O-N 3.1Å; E196-S198 PolarHBondContact O-N 3.07Å; E196-A199 WeakPolarHBondContact O-CB 3.43Å; E196-A199 PolarHBondContact O-N 3.18Å
197D50.6Low62.9Low136 Ų136122.4 Ų122.473%0.72770%0.699SS**G310 helixtrans-67.9-12170.6-71.4-31.7000113.2
198S51.8Low61.1Low92 Ų92119.8 Ų119.864%0.64370%0.704SS**G310 helixtrans-85.7-9.1177.1-53.90000113.5G195 E196 L200G195-S198 VanDerWaalsContact O-CB 3.26Å; G195-S198 WeakPolarHBondContact O-CB 3.5Å; G195-S198 PolarHBondContact O-N 3.16Å; G195-S198 VanDerWaalsContact O-N 3.15Å; E196-S198 PolarHBondContact O-N 3.07Å; S198-L200 VanDerWaalsContact C-N 3.3Å; S198-L200 PolarHBondContact O-N 3.45Å
199A53.3Low59Low71 Ų71120.7 Ų120.759%0.58771%0.712SS**THydrogen-bonded Turntrans-79.1-7.9-17500000114.4E196E196-A199 WeakPolarHBondContact O-CB 3.43Å; E196-A199 PolarHBondContact O-N 3.18Å
200L53.7Low57.8Low145 Ų145125.3 Ų125.376%0.75973%0.726SS**THydrogen-bonded Turntrans-95.412.8-171.4-59.3179.8000114.8S198S198-L200 VanDerWaalsContact C-N 3.3Å; S198-L200 PolarHBondContact O-N 3.45Å
201F50.5Low56.2Low180 Ų180126.4 Ų126.479%0.78973%0.733SS**  trans-127.527.6-176.2-68.5-73.8000114.4E203F201-E203 PolarHBondContact O-N 3.25Å
202S53.3Low54.6Low110 Ų110124.8 Ų124.877%0.76973%0.734SS**  trans-79.7100.8161.856.50000109.3
203E60.4Low53.5Low188 Ų188120.2 Ų120.288%0.87973%0.725SS**  trans-66.3150.7-174.3-14216613000112.9F201F201-E203 PolarHBondContact O-N 3.25Å
204D61Low52.7Low144 Ų144121.6 Ų121.677%0.7772%0.724SS**  trans-55.5140.4178.2179.513.6000112.2G206D204-G206 PolarHBondContact OD1-N 3.07Å
205S66.9Low52.5Low119 Ų119126.8 Ų126.883%0.83274%0.742SS**  trans-15160.8172-74.60000109.8I207S205-I207 PolarHBondContact O-N 2.61Å
206G63Low51.8Low62 Ų62127 Ų12764%0.63974%0.744SS**  trans-61.9127.8-179.600000114.9D204D204-G206 PolarHBondContact OD1-N 3.07Å
207I50.7Low51.4Low174 Ų174125 Ų12589%0.89275%0.747SS**  trans-148.9139.2151.1-99.5157.5000105.3S205S205-I207 PolarHBondContact O-N 2.61Å
208G53.3Low50.9Low70 Ų70125.8 Ų125.872%0.72275%0.746SS**  cis124.841.86.800000112.6
209A42.8Very low50.6Low88 Ų88129 Ų12973%0.72775%0.749SS**  trans-154.2125.7169.300000110.2
210E60.9Low50Low160 Ų160133.4 Ų133.475%0.74876%0.757SS**  trans-74.5-161.9174.546.9-81.4174.800113.6
211N49.9Very low49.2Very low142 Ų142133.1 Ų133.176%0.75975%0.751SS**  trans86.398.8-173.8-42.7-38.3000113.1
212E44.6Very low48.4Very low177 Ų177133.8 Ų133.883%0.82775%0.748SS**  63130.568.4-62.7-162.8-16000113.6
213S44.8Very low47.8Very low85 Ų85137.2 Ų137.259%0.59474%0.744SS**  cis-167.9163.13.1-108.60000111.6
214I44.5Very low46.5Very low146 Ų146135 Ų13575%0.74973%0.734SS**  trans66.2138159.2-93.775.3000116.1
215N42Very low45.2Very low153 Ų153133.1 Ų133.182%0.81873%0.732SS**  cis-140.7165.3-4.3-92.5-25.8000106.7
216G39.4Very low43.8Very low60 Ų60133.6 Ų133.662%0.61973%0.734SS**  cis171.9173.62.500000109.4
217C41.7Very low42.3Very low124 Ų124134.4 Ų134.484%0.83874%0.743SS**  trans63.6104.4-174.4-60.50000114.7
218E40.5Very low41.5Very low152 Ų152131.4 Ų131.471%0.7174%0.737SS**  cis71.1127.841.1-151.8-179.1-162.100112
219K45.9Very low40.4Very low160 Ų160133.8 Ų133.870%0.69674%0.743SS**  cis-141.6175.714-137.8151.3-168.5149.80112.5
220H39.7Very low39.9Very low163 Ų163133 Ų13376%0.75574%0.743SS**  trans-48.4161.7178.8-37.9-62.3000114.7
221H36.6Very low38.3Very low138 Ų138131.3 Ų131.364%0.63974%0.744SS**  cis-164.2-173.323.4-145.26.2000108
222R35.3Very low37.4Very low194 Ų194131.2 Ų131.273%0.73274%0.743SS**  cis-158.9123.71.9177.3168.5-86.9-156.4-4.6106.6
223R40.2Very low36.7Very low182 Ų182134.5 Ų134.569%0.68775%0.748SS**  55.5129.391.8-140.8-170.7-169.5-129.25.3116.7
224E32.6Very low35.9Very low142 Ų142136.6 Ų136.666%0.66476%0.757SS**  trans65.5158.8154.3-82.9151.3-172.800118.3
225S34.3Very low35.7Very low105 Ų105134.7 Ų134.773%0.73476%0.755SS**  cis-159.6164.4-12.1172.70000108.7
226C36.2Very low35.1Very low129 Ų129135 Ų13587%0.87276%0.755SS**  trans-57142.3156.5-59.10000110.7
227G33Very low34.8Very low79 Ų79137 Ų13781%0.81476%0.76SS**  trans-148.5131.517500000110.3
228S34.1Very low34.6Very low111 Ų111136.7 Ų136.778%0.77676%0.757SS**  trans-99.5151.5-169-160.10000113.2
229S30.3Very low33.9Very low120 Ų120133.6 Ų133.684%0.83975%0.748SS**  trans39.5118.2153.4-55.70000120.1
230G30.4Very low32.9Very low72 Ų72134 Ų13474%0.74275%0.753SS**  trans-177.6100.2161.400000117.7
231T28.5Very low32.4Very low123 Ų123135.7 Ų135.776%0.75575%0.754SS**  trans39.1111134.2-62.10000120.3
232N31Very low32Very low140 Ų140135.3 Ų135.375%0.74976%0.761SS**  trans37.1112.8135.6-50.1-32.6000119.6
233R29.4Very low31.6Very low246 Ų246129.8 Ų129.893%0.92876%0.757SS**  176.5125.2103.6-97.1173.9-174.9-151.60.4114
234T28.6Very low31.1Very low129 Ų129126.9 Ų126.979%0.79176%0.76SS**  trans-52.6151.7144.4-8.60000108.7
235P40.1Very low30.9Very low106 Ų106126.5 Ų126.569%0.68876%0.762SS**  cis-157.4-172.247.644.9-23000119.2
236L28.8Very low30.6Very low159 Ų159127.9 Ų127.983%0.83276%0.76SS**  trans72.3114.7158.7-59.2-177.9000119.6
237S34Very low30.2Very low103 Ų103128.4 Ų128.472%0.7276%0.759SS**  trans-66.3158144.851.40000111.2
238P36.4Very low29.8Very low118 Ų118127.6 Ų127.677%0.76675%0.751SS**  -135.1172.6103.51210.1000112.3
239T26.7Very low29.4Very low87 Ų87127.2 Ų127.253%0.53476%0.755SS.*  cis179.7129.2-23.6-90.80000106.2
240E24.6Very low29.4Very low168 Ų168126.4 Ų126.479%0.78575%0.749SS**  trans56.8175.8171.7-74134.9-137.900114.4
241Y30.2Very low29.3Very low199 Ų199130 Ų13078%0.7875%0.75SS**  cis-142.513114.616.8-94.4000107.9
242T27.8Very low29.3Very low130 Ų130130.1 Ų130.180%0.79874%0.741SS**  79.9146.885.2-53.10000113
243A27.1Very low29.4Very low77 Ų77130.5 Ų130.564%0.63674%0.736SS**  trans73.7117.8-174.800000114.1
244T29.2Very low29.3Very low122 Ų122128.9 Ų128.975%0.74873%0.732SS**  65.1133.953.6780000112.2
245N27.6Very low29.2Very low134 Ų134126.5 Ų126.572%0.71773%0.733SS**  cis-170.5179.48.5-129-14000111.5
246I28.8Very low28.7Very low134 Ų134127.4 Ų127.469%0.68774%0.737SS**  trans70.7108140.3-75.3166.3000119.8
247T27.3Very low28.6Very low140 Ų140128.1 Ų128.186%0.85974%0.736SS**  83.3144.1127.4-61.20000122.1
248G25.9Very low28.2Very low62 Ų62131.8 Ų131.864%0.63974%0.744SS**  trans109.3109.3178.900000110.5
249A25.5Very low27.9Very low103 Ų103131.1 Ų131.185%0.85174%0.742SS**  cis54.6126.635.600000111.9
250S28.9Very low28.5Very low103 Ų103132.2 Ų132.272%0.7275%0.75SS**  cis-161.6-178.412.9-161.20000111
251I30.2Very low28.6Very low148 Ų148128.1 Ų128.176%0.75974%0.74SS**  trans70.6153.1154.4-75.8156.3000117.3
252E27.3Very low28.4Very low124 Ų124127.4 Ų127.458%0.57974%0.742SS**  cis-174.7170.7-35.3-154.7-163.8143.600108.3
253K32.8Very low28.5Very low148 Ų148125.7 Ų125.764%0.64374%0.735SS**  trans77.8109.5156-58.8-173.6-169.3177.40121.9
254Y27.9Very low28.5Very low212 Ų212129.3 Ų129.383%0.83174%0.743SS**  46.1126.4124.3-49.3-62.3000121.6
255G27.1Very low28.6Very low80 Ų80130.1 Ų130.183%0.82575%0.748SS**  trans-159.280.8173.100000114.2
256T28.6Very low28.8Very low124 Ų124128.1 Ų128.176%0.76175%0.745SS**  trans-28141.4175.8-57.70000119.7
257Q26.8Very low29Very low175 Ų175127.6 Ų127.682%0.81874%0.742SS**  trans-0.3141.3154.3-51.9-179.758.100120.1
258M25.3Very low29.3Very low180 Ų180127.7 Ų127.789%0.88774%0.738SS**  -163.5142.2107.5-82.1-134.772.300111.7
259S30.6Very low29.5Very low103 Ų103128.5 Ų128.572%0.7273%0.734SS**  trans-93.8167.7163.4-38.90000109.3
260P38.8Very low30.1Very low110 Ų110130.5 Ų130.571%0.71473%0.729SS**  -159166.271.941.1-20.2000118.9
261S27.3Very low30Very low82 Ų82132.3 Ų132.357%0.57373%0.731SS**  trans64.3156.214360.90000119.8
262F26.6Very low30.1Very low184 Ų184129.9 Ų129.981%0.80773%0.727SS**  cis-140.3153.424.2-80.4-86000115.7
263S28.9Very low30.1Very low94 Ų94130.9 Ų130.966%0.65774%0.742SS**  trans43.2118.9140.2-56.40000121.3
264L28.1Very low30Very low154 Ų154129.1 Ų129.181%0.80675%0.747SS**  cis95.1111.749-80.5168.9000114.7
265T30.6Very low30.2Very low139 Ų139126.1 Ų126.185%0.85375%0.75SS**  -172.1123.4129.3160000107.6
266S30.9Very low30.2Very low92 Ų92130.7 Ų130.764%0.64375%0.753SS**  cis77.7126.738.1-169.20000112.5
267L34.3Very low30.5Very low123 Ų123131.6 Ų131.664%0.64476%0.758SS**  cis-151.2162.6-3.4-114.2168.6000108.4
268N33.9Very low31.4Very low142 Ų142128.3 Ų128.376%0.75975%0.752SS**  -163161.976.2-83.6-86.7000109.1
269S28.9Very low31.6Very low79 Ų79126 Ų12655%0.55274%0.743SS**  cis70.5139.738.8-66.90000114
270L38.4Very low31.7Very low145 Ų145126.8 Ų126.876%0.75974%0.739SS**  cis-144.7175.7-10.9-101.8167.7000106.6
271D27.2Very low31.2Very low141 Ų141127.9 Ų127.975%0.75473%0.734SS**  cis-157170.334.1-146.7-14.6000114
272S31.6Very low31.5Very low96 Ų96133.3 Ų133.367%0.67174%0.742SS**  trans-137161.9-173.8-79.90000113.6
273T28.2Very low31.6Very low146 Ų146130.8 Ų130.890%0.89674%0.737SS**  trans-151141.1161.6-67.50000110.1
274C30.6Very low31.6Very low111 Ų111131.4 Ų131.475%0.7574%0.741SS**  trans-125.2159.6-170.6-57.30000112.3
275T30.9Very low31.8Very low148 Ų148131.3 Ų131.391%0.90874%0.741SS**  trans-142.8140.9157.330.40000109.5
276M27.1Very low31.9Very low177 Ų177132.6 Ų132.687%0.87274%0.742SS**  trans-102.8154.5-176.8-44-172.1-51.100112.2
277V34.9Very low31.8Very low143 Ų143131.8 Ų131.887%0.86775%0.748SS**  -159.8161.9119.8-98.70000110
278P46.4Very low31.6Very low106 Ų106132.1 Ų132.169%0.68876%0.761SS**  trans-108.7-159.9-162.341.3-33.6000114.9
279N30.5Very low31.4Very low131 Ų131130.2 Ų130.270%0.70177%0.765SS**  trans77.9143.5177.6-6645.5000114.9
280D30.7Very low31.4Very low120 Ų120131.3 Ų131.364%0.64277%0.773SS**  cis-154.5139.6-4.4-122.2-25.6000113.8
281Q28.4Very low31.2Very low132 Ų132131.6 Ų131.662%0.61777%0.774SS**  56.5130.1126.9-176.9166.3120.300122.7
282R33.9Very low31.3Very low197 Ų197132 Ų13274%0.74378%0.776SS**  trans74.7153.8167.3-65.4177.7-125.2-1660.5117.4
283D28.2Very low31.5Very low130 Ų130135 Ų13570%0.69579%0.785SS**  cis-164.3152.5-22.7-100.1-18.6000107.9
284S30.8Very low31.9Very low107 Ų107130.7 Ų130.775%0.74877%0.769SS**  trans64.6159.6160.7-63.10000117.1
285L31.6Very low32Very low152 Ų152134.7 Ų134.780%0.79678%0.776SS**  cis-149.3178.6-18.9-117.2168.6000109.6
286L32.8Very low32.4Very low166 Ų166135 Ų13587%0.86977%0.773SS**  trans-57.8154.7179.8-61.5159.3000114.2
287G27.9Very low33.3Very low76 Ų76132.7 Ų132.778%0.78476%0.764SS**  trans173.375.1167.800000116.4
288S31.8Very low33.5Very low130 Ų130130.9 Ų130.991%0.90975%0.749SS**  trans-123.2101.1173.6-64.40000112
289A29.6Very low33.1Very low102 Ų102133.8 Ų133.884%0.84376%0.759SS**  trans-179.1169.7169.600000107.8
290S28.5Very low33.7Very low102 Ų102133.8 Ų133.871%0.71376%0.759SS**  cis179.4168.4-32.7-1740000105.7
291L33.8Very low34.2Very low151 Ų151137.7 Ų137.779%0.79177%0.774SS**  trans-20.9150164.2-60.6153.8000115.7
292D30.1Very low34.9Very low150 Ų150140.3 Ų140.380%0.80279%0.786SS**  cis-173.6-164.749.1-147.9-10.4000113.1
293D35.4Very low35Very low159 Ų159140.2 Ų140.285%0.8579%0.794SS**  trans-39.1167171.6-16220.7000120.1
294G35.7Very low35.1Very low54 Ų54137.2 Ų137.256%0.55779%0.794SS**  trans129.397.1153.400000120.6
295E34Very low35.2Very low195 Ų195137.6 Ų137.691%0.91179%0.788SS**  trans48.6167137.467.3-166.8176.900125.2
296D38.4Very low35.4Very low155 Ų155140.6 Ų140.683%0.82979%0.788SS**  trans-67.7170.8177.3-65.2-66.2000111.7
297D45.6Very low35.3Very low129 Ų129135.9 Ų135.969%0.6978%0.779SS**  cis-175.2171.845-1658.3000112.4
298N40.2Very low35.5Very low104 Ų104139 Ų13956%0.55678%0.783SS**  trans62.8128.5165.2-61.4-71.7000120.5
299N38Very low35.4Very low167 Ų167142.2 Ų142.289%0.89378%0.781SS**  -155.7130.7108.4-104.2-95.6000108.7
300D41.7Very low35.3Very low132 Ų132146 Ų14671%0.70678%0.781SS**  trans-75.1163.2176.9-49.7-84.8000112.7
301E42.8Very low35.2Very low202 Ų202144.6 Ų144.694%0.94478%0.783SS**  -144.1137.9113.3-75.7-155.516100109.2
302E42.6Very low34.7Very low187 Ų187146.3 Ų146.387%0.87478%0.784SS**  trans-100.8158.6178.7177.4177-158.100111.2
303E35.9Very low34.5Very low194 Ų194145.8 Ų145.891%0.90779%0.785SS**  trans128.6152.5144.2-166.4165.5-144.600115.1
304G30.3Very low34Very low68 Ų68141.9 Ų141.970%0.70177%0.771SS**  trans126.929.1147.200000120.1
305D33Very low33.4Very low115 Ų115148.5 Ų148.562%0.61579%0.785SS**  trans-35.3159.4171-176.633.7000118.8
306R35.2Very low33.1Very low215 Ų215144.5 Ų144.581%0.81178%0.776SS**  trans74.9152.1169.9-72.4160.4-59-116.812.2117.8
307G31.7Very low32.5Very low66 Ų66147.5 Ų147.568%0.6878%0.775SS**  cis158.9-159.52.100000110.9
308V31.4Very low31.6Very low143 Ų143151.4 Ų151.487%0.86778%0.78SS**  trans-143.3119.2174.6-177.90000112.3
309K30Very low31Very low197 Ų197150.8 Ų150.886%0.85778%0.784SS**  trans-174.389.5132.9-104.3171.3-177.2179.20114.1
310E27.1Very low30.4Very low181 Ų181149.4 Ų149.485%0.84678%0.777SS**  trans50.4121.1133.1-162.7166.5-166.800122.2
311G25.5Very low29.6Very low73 Ų73148.5 Ų148.575%0.75378%0.781SS**  trans-167131.416300000112.2
312K24.8Very low28.7Very low187 Ų187144.3 Ų144.381%0.81377%0.774SS**  trans-81.5160.1-179.5-66.4171.7-176.4169.50110.5
313V25Very low29Very low138 Ų138140.7 Ų140.784%0.83677%0.766SS**  cis-133.3-150.930.4-149.40000112.6
314S24.6Very low28.4Very low78 Ų78139.9 Ų139.955%0.54577%0.765SS.*  trans-164.7174.1-16055.90000115.2
315F23.3Very low28.1Very low193 Ų193141.5 Ų141.585%0.84677%0.765SS**  trans92.4147.9167.6-51.9-53.4000117.6
316P28.3Very low27.7Very low111 Ų111141.6 Ų141.672%0.72178%0.775SS**  cis-134.6153.116.540.4-23.6000119.2
317R26.5Very low27.4Very low217 Ų217135.9 Ų135.982%0.81977%0.774SS**  trans57.9152151.3-80.8-177.9167-169.1-2.2119.2
318R24.9Very low27.3Very low211 Ų211139.3 Ų139.380%0.79678%0.782SS**  cis-153.8163.311.5-151.2176.3178.3173.7-2.5112.6
319S28.3Very low27.4Very low91 Ų91138.3 Ų138.364%0.63678%0.778SS**  trans-46.8170172.8-410000117.3
320N25.8Very low27.7Very low139 Ų139134.8 Ų134.874%0.74378%0.776SS**  cis-153.7142.534.6-43.4-88000112
321S25.9Very low27.9Very low113 Ų113135 Ų13579%0.7978%0.781SS**  96.7131.692.565.80000117.9
322S23.8Very low28.1Very low114 Ų114143 Ų14380%0.79779%0.789SS**  trans-99.6-158.5175-17.30000111.6
323P46.9Very low28.6Very low110 Ų110141.7 Ų141.771%0.71479%0.789SS**  -129.2174.2-54.538.4-24.2000112.9
324M23.5Very low28.9Very low178 Ų178140.6 Ų140.688%0.87779%0.785SS**  trans-169.8139.6145.3-148.256.778.100116.8
325S23.7Very low29.4Very low101 Ų101148.7 Ų148.771%0.70680%0.803SS**  trans12.6134148.1-166.90000122.8
326S25.3Very low30.4Very low117 Ų117149.8 Ų149.882%0.81881%0.808SS**  176.5164.2100.1480000113.8
327A28.6Very low31.3Very low96 Ų96155.4 Ų155.479%0.79382%0.815SS**  trans-102.2153.5-174.300000113.8
328T30.8Very low32.4Very low138 Ų138153.3 Ų153.385%0.84782%0.818SS**  trans-136.7144.3173.731.90000113.3
329P32.9Very low34Very low121 Ų121149.9 Ų149.979%0.78681%0.811SS**  trans-98-177.5-174.443.4-39.9000112.6
330P35.8Very low35.7Very low124 Ų124149 Ų14981%0.80580%0.799SS**  trans-82.1159.8-150.232.5-36.8000116.9
331L30.9Very low38Very low184 Ų184146.8 Ų146.896%0.96379%0.792SS**  trans-56.3140.3177.9-70.7158.7000113.3
332R31Very low40Very low242 Ų242147.9 Ų147.991%0.91379%0.785SS**  trans-114.3136.5170.8-94.4-175.2171.7142.10.4111.9
333I34.1Very low42.4Very low159 Ų159146.6 Ų146.682%0.81577%0.769SS**  trans-58.5134.7174.9-61.1167.2000110.3
334P32.3Very low43.9Very low116 Ų116144.2 Ų144.275%0.75375%0.753SS**  trans-69.7133.1-176.727.6-35.4000112.6
335R35.3Very low46.6Very low247 Ų247140.3 Ų140.393%0.93273%0.732SS**  trans-98.393.3171.5-75.5-173.7171.7-171.3-1.7111.2R337R335-R337 PolarHBondContact O-N 2.82Å
336K44.9Very low49.4Very low217 Ų217140.8 Ų140.894%0.94372%0.724SS**  trans-72.4104.7157-72.8-174.3178-179.10108.5
337R47.2Very low52.1Low229 Ų229139.4 Ų139.486%0.86471%0.711SS**  trans-144.5127.1163.5-155.6172.5-157.7145.28.6108.9R335 E339R335-R337 PolarHBondContact O-N 2.82Å; R337-E339 PolarHBondContact O-N 2.83Å
338I49.6Very low54.7Low173 Ų173138.6 Ų138.689%0.88769%0.693SS**  trans-62.3117.2-177.9-61.3164.5000108.2N340I338-N340 PolarHBondContact O-N 3.27Å
339E58.6Low57.4Low138 Ų138138.2 Ų138.265%0.64568%0.68SS**  trans-89.7105.7-175.4-152.9173.8-174.600109.6R337 V344R337-E339 PolarHBondContact O-N 2.83Å; E339-V344 HydrophobicContact CB-CG2 4.35Å; E339-V344 HydrophobicContact CG-CG2 3.62Å
340N63.1Low59.9Low73 Ų73138.3 Ų138.339%0.3967%0.671SS.*  trans-61.5127.6175.2175.7-24.7000108.9I338 Q342 N343 V344I338-N340 PolarHBondContact O-N 3.27Å; N340-Q342 PolarHBondContact O-N 3.47Å; N340-Q342 VanDerWaalsContact O-N 3.16Å; N340-Q342 WeakPolarHBondContact OD1-CB 3.41Å; N340-Q342 PolarHBondContact OD1-N 3.16Å; N340-N343 HydrophobicContact CB-CB 4.3Å; N340-N343 WeakPolarHBondContact O-CA 3.3Å; N340-N343 WeakPolarHBondContact O-CB 3.33Å; N340-N343 PolarHBondContact O-N 3.15Å; N340-V344 PolarHBondContact O-N 3.01Å; N340-V344 VanDerWaalsContact O-N 3.07Å
341P73.6Confident62.1Low92 Ų92138.3 Ų138.360%0.59766%0.659SS**Hα-helixtrans-57.9-31.3-177.822.6-34000113.3N343 V344 E345P341-N343 VanDerWaalsContact C-N 3.31Å; P341-N343 PolarHBondContact O-N 3.3Å; P341-V344 WeakPolarHBondContact O-CB 3.44Å; P341-V344 PolarHBondContact O-N 3.06Å; P341-E345 PolarHBondContact O-N 3.13Å
342Q69.4Low64.2Low137 Ų137133 Ų13364%0.6463%0.631SS**Hα-helixtrans-71.5-24.3174-71.1178.2-29.600113N340 M346N340-Q342 PolarHBondContact O-N 3.47Å; N340-Q342 VanDerWaalsContact O-N 3.16Å; N340-Q342 WeakPolarHBondContact OD1-CB 3.41Å; N340-Q342 PolarHBondContact OD1-N 3.16Å; Q342-M346 WeakPolarHBondContact O-CB 3.38Å; Q342-M346 PolarHBondContact O-N 2.9Å
343N73.9Confident66.5Low87 Ų87124.3 Ų124.347%0.46561%0.611SS.*Hα-helixtrans-76.4-34.6168.4-72.6-8.5000111.6N340 P341 T347N340-N343 HydrophobicContact CB-CB 4.3Å; N340-N343 WeakPolarHBondContact O-CA 3.3Å; N340-N343 WeakPolarHBondContact O-CB 3.33Å; N340-N343 PolarHBondContact O-N 3.15Å; P341-N343 VanDerWaalsContact C-N 3.31Å; P341-N343 PolarHBondContact O-N 3.3Å; N343-T347 WeakPolarHBondContact O-CB 3.46Å; N343-T347 PolarHBondContact O-N 2.76Å; N343-T347 PolarHBondContact O-OG1 3.37Å
344V77.8Confident68.1Low60 Ų60120.4 Ų120.436%0.36459%0.594SS.*Hα-helixtrans-61.2-51.5170.5-1740000109.5E339 N340 P341 T347 L348E339-V344 HydrophobicContact CB-CG2 4.35Å; E339-V344 HydrophobicContact CG-CG2 3.62Å; N340-V344 PolarHBondContact O-N 3.01Å; N340-V344 VanDerWaalsContact O-N 3.07Å; P341-V344 WeakPolarHBondContact O-CB 3.44Å; P341-V344 PolarHBondContact O-N 3.06Å; V344-T347 PolarHBondContact O-N 3.05Å; V344-L348 VanDerWaalsContact O-CB 3.29Å; V344-L348 WeakPolarHBondContact O-CB 3.29Å; V344-L348 PolarHBondContact O-N 3Å
345E80.7Confident69.8Low96 Ų96118.1 Ų118.145%0.44958%0.581SS.*Hα-helixtrans-61.8-43.3177-83.6-165.6-139.200112.9P341 T347 L348 K349P341-E345 PolarHBondContact O-N 3.13Å; E345-T347 VanDerWaalsContact C-N 3.34Å; E345-L348 PolarHBondContact O-N 3.36Å; E345-K349 WeakPolarHBondContact O-CB 3.42Å; E345-K349 WeakPolarHBondContact O-CD 3.41Å; E345-K349 VanDerWaalsContact O-CG 3.22Å; E345-K349 WeakPolarHBondContact O-CG 3.24Å; E345-K349 PolarHBondContact O-N 3.11Å; E345-K349 IonicContact OE2-NZ 3.22Å; E345-K349 PolarHBondContact OE2-NZ 3.17Å
346M82Confident71.1Confident110 Ų110112.2 Ų112.254%0.54257%0.568SS.*Hα-helixtrans-63.9-42.5176.9-173-174.3-57.600110.7Q342 L348 K349 M350Q342-M346 WeakPolarHBondContact O-CB 3.38Å; Q342-M346 PolarHBondContact O-N 2.9Å; M346-L348 VanDerWaalsContact C-N 3.35Å; M346-L348 PolarHBondContact O-N 2.92Å; M346-K349 PolarHBondContact O-N 3.23Å; M346-M350 HydrophobicContact CG-SD 4.34Å; M346-M350 VanDerWaalsContact O-CB 3.29Å; M346-M350 WeakPolarHBondContact O-CB 3.35Å; M346-M350 VanDerWaalsContact O-CG 3.28Å; M346-M350 WeakPolarHBondContact O-CG 3.26Å; M346-M350 PolarHBondContact O-N 3.37Å
347T81.1Confident71.7Confident89 Ų89112.6 Ų112.655%0.54656%0.563SS.*Hα-helixtrans-64.9-39.3176.3-57.60000111.2N343 V344 E345 K351N343-T347 WeakPolarHBondContact O-CB 3.46Å; N343-T347 PolarHBondContact O-N 2.76Å; N343-T347 PolarHBondContact O-OG1 3.37Å; V344-T347 PolarHBondContact O-N 3.05Å; E345-T347 VanDerWaalsContact C-N 3.34Å; T347-K351 WeakPolarHBondContact O-CB 3.36Å; T347-K351 PolarHBondContact O-N 3.09Å
348L84.4Confident72.3Confident79 Ų79104.4 Ų104.441%0.41454%0.536SS..Hα-helixtrans-70.4-42.8177-173.558.8000111.9V344 E345 M346 K351 N352V344-L348 VanDerWaalsContact O-CB 3.29Å; V344-L348 WeakPolarHBondContact O-CB 3.29Å; V344-L348 PolarHBondContact O-N 3Å; E345-L348 PolarHBondContact O-N 3.36Å; M346-L348 VanDerWaalsContact C-N 3.35Å; M346-L348 PolarHBondContact O-N 2.92Å; L348-K351 PolarHBondContact O-N 3.07Å; L348-N352 WeakPolarHBondContact O-CB 3.44Å; L348-N352 PolarHBondContact O-N 2.88Å; L348-N352 PolarHBondContact O-OD1 3.11Å
349K86.6Confident72Confident130 Ų130106.7 Ų106.757%0.56553%0.534SS*.Hα-helixtrans-64.2-42.2174.6-75.5163.7174.6164.70111.4E345 M346 N352 A353E345-K349 WeakPolarHBondContact O-CB 3.42Å; E345-K349 WeakPolarHBondContact O-CD 3.41Å; E345-K349 VanDerWaalsContact O-CG 3.22Å; E345-K349 WeakPolarHBondContact O-CG 3.24Å; E345-K349 PolarHBondContact O-N 3.11Å; E345-K349 IonicContact OE2-NZ 3.22Å; E345-K349 PolarHBondContact OE2-NZ 3.17Å; M346-K349 PolarHBondContact O-N 3.23Å; K349-N352 PolarHBondContact O-N 3.22Å; K349-A353 VanDerWaalsContact O-CB 3.25Å; K349-A353 WeakPolarHBondContact O-CB 3.42Å; K349-A353 PolarHBondContact O-N 3.02Å
350M86.4Confident71.2Confident123 Ų123105.8 Ų105.861%0.60653%0.528SS*.Hα-helixtrans-64-46.1171.4-75.5-175.570.500111.6M346 N352 A353 V354M346-M350 HydrophobicContact CG-SD 4.34Å; M346-M350 VanDerWaalsContact O-CB 3.29Å; M346-M350 WeakPolarHBondContact O-CB 3.35Å; M346-M350 VanDerWaalsContact O-CG 3.28Å; M346-M350 WeakPolarHBondContact O-CG 3.26Å; M346-M350 PolarHBondContact O-N 3.37Å; M350-N352 VanDerWaalsContact C-N 3.32Å; M350-N352 PolarHBondContact O-N 3.24Å; M350-A353 PolarHBondContact O-N 2.92Å; M350-V354 VanDerWaalsContact O-CB 3.28Å; M350-V354 WeakPolarHBondContact O-CB 3.45Å; M350-V354 WeakPolarHBondContact O-CG2 3.48Å; M350-V354 PolarHBondContact O-N 2.87Å
351K80.7Confident70Confident124 Ų124108.5 Ų108.554%0.53955%0.547SS..Hα-helixtrans-59.3-43.2177.3-170.4-176.170.5177.90111.2T347 L348 V354 S355T347-K351 WeakPolarHBondContact O-CB 3.36Å; T347-K351 PolarHBondContact O-N 3.09Å; L348-K351 PolarHBondContact O-N 3.07Å; K351-V354 PolarHBondContact O-N 3.46Å; K351-S355 WeakPolarHBondContact O-CB 3.38Å; K351-S355 PolarHBondContact O-N 3.05Å; K351-S355 PolarHBondContact O-OG 3.15Å; K351-S355 VanDerWaalsContact O-OG 3.05Å
352N75.8Confident68.3Low73 Ų73111.9 Ų111.939%0.3956%0.555SS.*Hα-helixtrans-69.9-47.7179.8-65.1-0.1000111.3L348 K349 M350 V354 S355 D356L348-N352 WeakPolarHBondContact O-CB 3.44Å; L348-N352 PolarHBondContact O-N 2.88Å; L348-N352 PolarHBondContact O-OD1 3.11Å; K349-N352 PolarHBondContact O-N 3.22Å; M350-N352 VanDerWaalsContact C-N 3.32Å; M350-N352 PolarHBondContact O-N 3.24Å; N352-V354 PolarHBondContact O-N 2.86Å; N352-V354 VanDerWaalsContact O-N 3.15Å; N352-S355 PolarHBondContact O-N 2.98Å; N352-D356 PolarHBondContact O-N 3.05Å
353A79.3Confident66.6Low58 Ų58112.3 Ų112.348%0.47955%0.554SS.*Hα-helixtrans-61.9-23.3175.300000113.7K349 M350K349-A353 VanDerWaalsContact O-CB 3.25Å; K349-A353 WeakPolarHBondContact O-CB 3.42Å; K349-A353 PolarHBondContact O-N 3.02Å; M350-A353 PolarHBondContact O-N 2.92Å
354V68.3Low64.8Low77 Ų77114.6 Ų114.647%0.46756%0.562SS.*Hα-helixtrans-81-46170.1169.10000111.2M350 K351 N352 D356 R357 I358M350-V354 VanDerWaalsContact O-CB 3.28Å; M350-V354 WeakPolarHBondContact O-CB 3.45Å; M350-V354 WeakPolarHBondContact O-CG2 3.48Å; M350-V354 PolarHBondContact O-N 2.87Å; K351-V354 PolarHBondContact O-N 3.46Å; N352-V354 PolarHBondContact O-N 2.86Å; N352-V354 VanDerWaalsContact O-N 3.15Å; V354-D356 PolarHBondContact O-N 3.19Å; V354-R357 CarbonylContact O-C 3.59Å; V354-R357 PolarHBondContact O-N 2.83Å; V354-I358 HydrophobicContact CG1-CD1 3.57Å; V354-I358 HydrophobicContact CG1-CG1 4.29Å; V354-I358 WeakPolarHBondContact O-CB 3.38Å; V354-I358 WeakPolarHBondContact O-CG1 3.36Å; V354-I358 PolarHBondContact O-N 2.61Å
355S68.1Low62.3Low68 Ų68115.7 Ų115.748%0.47657%0.566SS.*Hα-helixtrans-56.9-47175.4-68.60000112.7K351 N352 R357 I358K351-S355 WeakPolarHBondContact O-CB 3.38Å; K351-S355 PolarHBondContact O-N 3.05Å; K351-S355 PolarHBondContact O-OG 3.15Å; K351-S355 VanDerWaalsContact O-OG 3.05Å; N352-S355 PolarHBondContact O-N 2.98Å; S355-R357 PolarHBondContact O-N 3.45Å; S355-I358 CarbonylContact O-C 3.55Å; S355-I358 PolarHBondContact O-N 2.81Å; S355-I358 VanDerWaalsContact O-N 3.11Å
356D61Low60Low123 Ų123116.9 Ų116.966%0.65858%0.58SS**THydrogen-bonded Turntrans-64.3-27.2-178.8-65-26.8000112.5N352 V354N352-D356 PolarHBondContact O-N 3.05Å; V354-D356 PolarHBondContact O-N 3.19Å
357R59.1Low57.4Low225 Ų225115.3 Ų115.385%0.84959%0.592SS**THydrogen-bonded Turntrans-89.3-20.6175.5-80.4-175.8154.5-162-6114.2V354 S355V354-R357 CarbonylContact O-C 3.59Å; V354-R357 PolarHBondContact O-N 2.83Å; S355-R357 PolarHBondContact O-N 3.45Å
358I59.1Low55Low58 Ų58115.8 Ų115.830%0.29761%0.605SS.*  trans-11274.3-179.9-53.2178.4000109.6V354 S355 F360 F954V354-I358 HydrophobicContact CG1-CD1 3.57Å; V354-I358 HydrophobicContact CG1-CG1 4.29Å; V354-I358 WeakPolarHBondContact O-CB 3.38Å; V354-I358 WeakPolarHBondContact O-CG1 3.36Å; V354-I358 PolarHBondContact O-N 2.61Å; S355-I358 CarbonylContact O-C 3.55Å; S355-I358 PolarHBondContact O-N 2.81Å; S355-I358 VanDerWaalsContact O-N 3.11Å; I358-F360 VanDerWaalsContact C-N 3.3Å; I358-F360 HydrophobicContact CG2-CD2 3.48Å; I358-F360 VanDerWaalsContact CG2-CD2 3.48Å; I358-F360 HydrophobicContact CG2-CE1 4.5Å; I358-F360 HydrophobicContact CG2-CE2 3.31Å; I358-F360 HydrophobicContact CG2-CG 4.18Å; I358-F360 HydrophobicContact CG2-CZ 3.86Å; I358-F360 PolarHBondContact O-N 2.84Å; I358-F954 HydrophobicContact CD1-CE2 4.09Å; I358-F954 HydrophobicContact CD1-CZ 3.88Å; I358-F954 HydrophobicContact CG2-CE2 4.3Å; I358-F954 HydrophobicContact CG2-CZ 4.36Å
359R43.8Very low52.3Low220 Ų220122.1 Ų122.183%0.8363%0.629SS**  trans-72.780.8171.4-60.3-173.2-168.1-178.83.4110.9V361R359-V361 PolarHBondContact O-N 3.29Å; R359-V361 VanDerWaalsContact O-N 3.11Å
360F41.1Very low49.6Very low119 Ų119120.8 Ų120.852%0.52264%0.643SS.*  trans-70.1102.2167.9-80.9-59.1000110.6I358 Q362 F954 Q955I358-F360 VanDerWaalsContact C-N 3.3Å; I358-F360 HydrophobicContact CG2-CD2 3.48Å; I358-F360 VanDerWaalsContact CG2-CD2 3.48Å; I358-F360 HydrophobicContact CG2-CE1 4.5Å; I358-F360 HydrophobicContact CG2-CE2 3.31Å; I358-F360 HydrophobicContact CG2-CG 4.18Å; I358-F360 HydrophobicContact CG2-CZ 3.86Å; I358-F360 PolarHBondContact O-N 2.84Å; F360-Q362 PolarHBondContact O-N 3.21Å; F360-F954 HydrophobicContact CE1-CD1 4.39Å; F360-F954 HydrophobicContact CE1-CG 4.49Å; F360-F954 HydrophobicContact CE2-CE1 4.32Å; F360-F954 AromaticContact CZ-CD1 3.69Å; F360-F954 HydrophobicContact CZ-CD1 3.69Å; F360-F954 HydrophobicContact CZ-CD2 4.49Å; F360-F954 AromaticContact CZ-CE1 3.72Å; F360-F954 HydrophobicContact CZ-CE1 3.72Å; F360-F954 HydrophobicContact CZ-CG 4.12Å; F360-F954 HydrophobicContact CZ-CZ 4.17Å; F360-Q955 HydrophobicContact CE1-CB 4.33Å
361V38.6Very low46.9Very low130 Ų130124.4 Ų124.479%0.78866%0.655SS**  trans-74.991.2170.6-179.40000108.7R359 K363R359-V361 PolarHBondContact O-N 3.29Å; R359-V361 VanDerWaalsContact O-N 3.11Å; V361-K363 PolarHBondContact O-N 3.24Å
362Q38.3Very low44.5Very low164 Ų164124.7 Ų124.777%0.76667%0.667SS**  trans-68.695.2171.6-177.1174-5.800109.5F360 Q364F360-Q362 PolarHBondContact O-N 3.21Å; Q362-Q364 PolarHBondContact O-N 3.19Å
363K32.7Very low42.3Very low145 Ų145126 Ų12663%0.6369%0.687SS**  trans-81.182.5-177.4-157.7-179.7-173.5-172.30110.8V361 S958V361-K363 PolarHBondContact O-N 3.24Å; K363-S958 WeakPolarHBondContact O-CB 3.21Å; K363-S958 PolarHBondContact O-OG 3.47Å
364Q35.9Very low40Very low136 Ų136127 Ų12764%0.63670%0.703SS**  trans-65.9135162.3-74.3-172.8-15.700109.6Q362Q362-Q364 PolarHBondContact O-N 3.19Å
365N26.6Very low38.3Very low83 Ų83129.7 Ų129.744%0.44472%0.721SS.*  trans-91.8122.5157.4-71-37.9000106.8V959 A960N365-V959 PolarHBondContact ND2-O 2.79Å; N365-A960 HydrophobicContact CB-CB 3.94Å
366T31.9Very low37.4Very low120 Ų120131 Ų13174%0.73673%0.727SS**  trans-136129.7165.749.70000108.7
367G27.4Very low35.9Very low77 Ų77134.1 Ų134.179%0.79474%0.735SS**  trans-117.719.5-159.900000116.9
368A30.1Very low34.5Very low100 Ų100129.1 Ų129.183%0.82673%0.73SS**  trans-12984-168.900000114.9
369K27.6Very low32.9Very low211 Ų211132.1 Ų132.192%0.91775%0.751SS**  trans23.3113.6148-60.9172-176.91690119.2
370A29.5Very low32.1Very low102 Ų102130.4 Ų130.484%0.84374%0.744SS**  trans-134.2141.7137.900000109.9
371K30.5Very low31.5Very low199 Ų199132.3 Ų132.387%0.86576%0.755SS**  trans-85.5150.1165.6-61.9175.1-178.9176.50107.1
372V29.9Very low31Very low131 Ų131130.3 Ų130.379%0.79474%0.74SS**  -174.6125.279153.70000104.6
373A28.9Very low30.5Very low99 Ų99132.4 Ų132.482%0.81874%0.741SS**  67.574.764.500000114.2
374G30.9Very low30.3Very low79 Ų79130.2 Ų130.281%0.81474%0.739SS**  trans-17272.9-179.900000115.2
375T33.3Very low30.4Very low135 Ų135131.4 Ų131.483%0.82875%0.75SS**  trans-82.7172.5168.659.30000110.7
376P49.3Very low30.9Very low95 Ų95134.8 Ų134.862%0.61776%0.764SS**  cis-153.1-166.920.846.3-25.3000118
377K29.1Very low31.3Very low188 Ų188137 Ų13782%0.81777%0.765SS**  trans71.8146.3157.2-65.2166.6-166.6175.60117
378T29.4Very low31.7Very low120 Ų120138.6 Ų138.674%0.73676%0.759SS**  cis-153.9158.1-1.94.70000112.9
379T25.9Very low31.7Very low121 Ų121142.2 Ų142.274%0.74276%0.759SS**  trans5.9127.6141.1-44.80000117.9
380R27.6Very low32.6Very low184 Ų184136.8 Ų136.869%0.69475%0.748SS**  cis87.495.631-165.3-155.5-179-68.6-15.8116.1D382R380-D382 IonicContact CZ-OD1 3.31Å; R380-D382 VanDerWaalsContact CZ-OD1 3.31Å; R380-D382 IonicContact CZ-OD2 3.93Å; R380-D382 IonicContact NH1-OD1 2.79Å; R380-D382 PolarHBondContact NH1-OD1 3.39Å; R380-D382 IonicContact NH1-OD2 2.77Å; R380-D382 PolarHBondContact NH1-OD2 2.89Å; R380-D382 IonicContact NH2-OD1 3.07Å; R380-D382 PolarHBondContact NH2-OD1 3.09Å; R380-D382 VanDerWaalsContact NH2-OD1 3.07Å
381Q28.3Very low33.9Very low160 Ų160137.2 Ų137.275%0.74874%0.742SS**  trans-160.7120.5160.3-148.7155.8-23.500106
382D28.4Very low34.1Very low87 Ų87138.3 Ų138.347%0.46574%0.741SS.*  94.316051.7-67.1-37.7000112.8R380R380-D382 IonicContact CZ-OD1 3.31Å; R380-D382 VanDerWaalsContact CZ-OD1 3.31Å; R380-D382 IonicContact CZ-OD2 3.93Å; R380-D382 IonicContact NH1-OD1 2.79Å; R380-D382 PolarHBondContact NH1-OD1 3.39Å; R380-D382 IonicContact NH1-OD2 2.77Å; R380-D382 PolarHBondContact NH1-OD2 2.89Å; R380-D382 IonicContact NH2-OD1 3.07Å; R380-D382 PolarHBondContact NH2-OD1 3.09Å; R380-D382 VanDerWaalsContact NH2-OD1 3.07Å
383W27.2Very low33.9Very low209 Ų209140.6 Ų140.679%0.79274%0.735SS**  trans75.8134168.1-50.9110.3000117
384T29.3Very low35.1Very low98 Ų98140.9 Ų140.960%0.60173%0.729SS**  cis-155.2171.7-15.9-390000109E386T384-E386 HydrophobicContact CG2-CG 4.08Å
385D38.3Very low35.6Very low162 Ų162143 Ų14387%0.86672%0.718SS**  trans-134132.8153.6-170.824.1000107.5
386E36.4Very low35.5Very low154 Ų154142.6 Ų142.672%0.7272%0.715SS**  trans-128.7121.4-171-89.1-171.4173.700110.6T384T384-E386 HydrophobicContact CG2-CG 4.08Å
387E39.3Very low34.7Very low165 Ų165142.1 Ų142.177%0.77172%0.719SS**  77.214392.9-107.5-150.9175.700115.1
388V37.4Very low35.1Very low111 Ų111139.7 Ų139.767%0.67372%0.72SS**  cis-109.8-121-1.5-151.10000110.2
389Q29.2Very low35.2Very low176 Ų176138.5 Ų138.582%0.82272%0.723SS**  cis-152.1169.6-11.4-150.3175.4100.600109.6
390S47Very low35.3Very low98 Ų98138.3 Ų138.369%0.68572%0.721SS**  trans-156.5176.8171.764.50000110.5
391P55.6Low35.5Very low111 Ų111138.9 Ų138.972%0.72172%0.723SS**  -154.5142.6110.136.5-18.4000118.3
392R34.4Very low35.6Very low222 Ų222141.5 Ų141.584%0.83873%0.726SS**  trans57.5152.2135.1-71.7-177.8176.9-165.10.6120.6
393R27.4Very low35.8Very low178 Ų178143 Ų14367%0.67274%0.738SS**  cis-173.5-179.6-15.8-126.1-166.9137.7104.3-5.9105.4Q395R393-Q395 VanDerWaalsContact CZ-OE1 3.29Å
394P53.3Low35.8Very low105 Ų105140.9 Ų140.968%0.68274%0.737SS**  cis-127.5-168.2-2.844.8-27.2000113.1
395Q41.6Very low35.9Very low125 Ų125143.1 Ų143.158%0.58474%0.744SS**  cis-121.4-101.9-4-164.769.8-84.900112.7R393R393-Q395 VanDerWaalsContact CZ-OE1 3.29Å
396T30.7Very low35.6Very low126 Ų126144 Ų14477%0.77374%0.74SS**  cis-150.1170.9-9-390000108.5
397A33.7Very low35.6Very low84 Ų84146 Ų14669%0.69475%0.747SS**  trans-130.3148.4-167.300000113.3
398T36.3Very low35.1Very low137 Ų137145.2 Ų145.284%0.8475%0.748SS**  cis93.9123.914.4750000118.8
399A31.6Very low35.4Very low96 Ų96145.7 Ų145.779%0.79375%0.753SS**  trans-172.9154164.100000109.9
400V28.3Very low35.5Very low116 Ų116143.7 Ų143.770%0.70375%0.752SS**  cis-159.2131.2-15.7126.60000111.1
401R32.1Very low34.7Very low197 Ų197142.8 Ų142.874%0.74375%0.751SS**  trans33.4150.4144.1-51.7172.8172142.1-3.2124.9
402R31.1Very low33.7Very low215 Ų215149.7 Ų149.781%0.81176%0.763SS**  trans75.3149.3141.2-82.4165.3-174.5-178.7-0.7119
403T30.7Very low33.6Very low117 Ų117142.5 Ų142.572%0.71876%0.758SS**  cis-158.5158.2-21.260000112.2
404E28.5Very low33.9Very low165 Ų165142.4 Ų142.477%0.77177%0.765SS**  trans-20.7154.1163.5-56163.8-167.200121.4
405I32Very low33Very low146 Ų146148.5 Ų148.575%0.74977%0.774SS**  178.9126.7107.4-91.7166.8000115
406K30.4Very low32.8Very low180 Ų180148 Ų14878%0.78378%0.784SS**  trans56.5131.2150.6-75174.1-179.3165.60125.3
407K37.3Very low33.3Very low196 Ų196153.9 Ų153.985%0.85279%0.792SS**  trans93.8109.4138.6-77.8175177.3-173.20121.9
408N28.8Very low33.3Very low149 Ų149155.7 Ų155.780%0.79780%0.8SS**  trans-62.8155.5143.7-96.5-14.1000110.7
409P44.4Very low33.5Very low121 Ų121154.3 Ų154.379%0.78680%0.802SS**  -146148.968.139.5-20.8000119.5
410V29.9Very low34.4Very low133 Ų133158.5 Ų158.581%0.80681%0.805SS**  trans7.6121.9139.4-175.20000118.8
411A31.2Very low34.9Very low79 Ų79158.3 Ų158.365%0.65381%0.809SS**  -178.9134.7122.300000113.4
412R34.3Very low35.2Very low256 Ų256156.9 Ų156.997%0.96682%0.815SS**  trans45135148.3-52.3172.8-172.3-167.61.8119.1
413G32.3Very low35.7Very low71 Ų71158.4 Ų158.473%0.73282%0.821SS**  cis158.5159.1-1.400000111.6
414Q32.9Very low36.3Very low177 Ų177157.7 Ų157.783%0.82782%0.821SS**  trans29.696.3155.2-78.4-77.8-10.400119.3
415R35.3Very low37.1Very low233 Ų233157.8 Ų157.888%0.87982%0.819SS**  176.5160.2105.9-97.5176.6177.8-176.4-0.9114
416S38.1Very low37.8Very low113 Ų113154 Ų15479%0.7982%0.815SS**  trans-83.9137.6-179.641.10000113.6
417R39.5Very low39Very low251 Ų251151.7 Ų151.795%0.94781%0.808SS**  trans-152.4106.3160.1-86.2-161.9171.1-156.1-2.2110.9
418S34.2Very low40.2Very low122 Ų122146.2 Ų146.285%0.85379%0.788SS**  trans-168.683.9164.155.10000110.2
419A39.9Very low42.1Very low107 Ų107143.9 Ų143.988%0.88478%0.781SS**  trans-120.353173.200000109.6
420E50.5Low43.6Very low184 Ų184142.1 Ų142.186%0.8677%0.768SS**  trans-152.659-167.8-168.478.2-107.300110.3
421S40Very low45.7Very low112 Ų112141.1 Ų141.178%0.78376%0.757SS**  trans-162.262.8172.4-173.20000114.2
422L37.9Very low47.9Very low167 Ų167142.8 Ų142.887%0.87475%0.75SS**  trans-134.875.4157.9-78.5-178.1000110.5
423R41.1Very low50.3Low247 Ų247135.8 Ų135.893%0.93273%0.728SS**  trans-116.457.1167.6-87.1-172.8157.4-139-3.3110.9
424S43Very low52.9Low102 Ų102137.3 Ų137.371%0.71372%0.719SS**  trans-84.2109.7166.550.50000109.5G426S424-G426 PolarHBondContact O-N 3.34Å
425K45.9Very low55.4Low167 Ų167134.1 Ų134.173%0.72670%0.704SS**  trans-73.982.4-179.1-93.8-72-161.9168.40112.1E427K425-E427 WeakPolarHBondContact CD-OE2 3.42Å; K425-E427 IonicContact NZ-OE1 2.81Å; K425-E427 PolarHBondContact NZ-OE1 2.86Å; K425-E427 IonicContact NZ-OE2 3.69Å; K425-E427 PolarHBondContact NZ-OE2 3.01Å
426G47.2Very low58Low66 Ų66129.5 Ų129.568%0.6869%0.687SS**  trans-112.1101.9153.300000108.1S424 D428S424-G426 PolarHBondContact O-N 3.34Å; G426-D428 PolarHBondContact O-N 2.8Å; G426-D428 VanDerWaalsContact O-N 3.16Å
427E54.5Low60.5Low133 Ų133127.6 Ų127.662%0.62167%0.67SS**  trans-66.8109.3170.1-111.776-11500108.2K425 P429K425-E427 WeakPolarHBondContact CD-OE2 3.42Å; K425-E427 IonicContact NZ-OE1 2.81Å; K425-E427 PolarHBondContact NZ-OE1 2.86Å; K425-E427 IonicContact NZ-OE2 3.69Å; K425-E427 PolarHBondContact NZ-OE2 3.01Å; E427-P429 WeakPolarHBondContact O-CD 3.49Å
428D62.6Low62.9Low81 Ų81121.8 Ų121.843%0.43365%0.654SS.*  trans-64.6119.8174.3-180-24.3000109G426 T430 L431 F432G426-D428 PolarHBondContact O-N 2.8Å; G426-D428 VanDerWaalsContact O-N 3.16Å; D428-T430 VanDerWaalsContact CG-OG1 3.29Å; D428-T430 PolarHBondContact O-N 2.87Å; D428-T430 WeakPolarHBondContact OD1-CB 3.28Å; D428-T430 PolarHBondContact OD1-N 2.88Å; D428-T430 PolarHBondContact OD1-OG1 3.09Å; D428-T430 PolarHBondContact OD2-OG1 3.41Å; D428-L431 HydrophobicContact CB-CB 3.96Å; D428-L431 PolarHBondContact O-N 3.2Å; D428-L431 VanDerWaalsContact O-N 3.1Å; D428-F432 PolarHBondContact O-N 2.99Å; D428-F432 VanDerWaalsContact O-N 3.15Å
429P69.6Low65.4Low100 Ų100120.2 Ų120.265%0.64964%0.636SS**Hα-helixtrans-63.3-29-176.526.2-34.5000112.4E427 E433E427-P429 WeakPolarHBondContact O-CD 3.49Å; P429-E433 WeakPolarHBondContact O-CB 3.4Å; P429-E433 PolarHBondContact O-N 3.35Å
430T75.1Confident67.8Low84 Ų84118 Ų11852%0.51562%0.618SS.*Hα-helixtrans-70.2-34.5176.871.30000111.5D428 E433 L434D428-T430 VanDerWaalsContact CG-OG1 3.29Å; D428-T430 PolarHBondContact O-N 2.87Å; D428-T430 WeakPolarHBondContact OD1-CB 3.28Å; D428-T430 PolarHBondContact OD1-N 2.88Å; D428-T430 PolarHBondContact OD1-OG1 3.09Å; D428-T430 PolarHBondContact OD2-OG1 3.41Å; T430-E433 PolarHBondContact O-N 3.31Å; T430-L434 WeakPolarHBondContact O-CB 3.33Å; T430-L434 PolarHBondContact O-N 3.36Å
431L74.7Confident69.6Low111 Ų111114.5 Ų114.558%0.58161%0.605SS**Hα-helixtrans-72-40.1178.6-142.6176.5000110.8D428 E433 L434 E435D428-L431 HydrophobicContact CB-CB 3.96Å; D428-L431 PolarHBondContact O-N 3.2Å; D428-L431 VanDerWaalsContact O-N 3.1Å; L431-E433 VanDerWaalsContact C-N 3.35Å; L431-L434 PolarHBondContact O-N 3.27Å; L431-E435 WeakPolarHBondContact O-CB 3.35Å; L431-E435 PolarHBondContact O-N 3.05Å
432F77.9Confident71.8Confident114 Ų114113.3 Ų113.350%0.559%0.589SS.*Hα-helixtrans-68.1-32.6173-172-121.3000112.7D428 R436D428-F432 PolarHBondContact O-N 2.99Å; D428-F432 VanDerWaalsContact O-N 3.15Å; F432-R436 VanDerWaalsContact O-CB 3.28Å; F432-R436 WeakPolarHBondContact O-CB 3.47Å; F432-R436 PolarHBondContact O-N 3.18Å
433E83.5Confident74.2Confident109 Ų109110.5 Ų110.551%0.50957%0.572SS.*Hα-helixtrans-73.6-36.3172.9-173.3139.8-115.400112.6P429 T430 L431 R436 T437P429-E433 WeakPolarHBondContact O-CB 3.4Å; P429-E433 PolarHBondContact O-N 3.35Å; T430-E433 PolarHBondContact O-N 3.31Å; L431-E433 VanDerWaalsContact C-N 3.35Å; E433-R436 PolarHBondContact O-N 2.85Å; E433-R436 IonicContact OE1-NH1 2.69Å; E433-T437 HydrophobicContact CG-CG2 4.48Å; E433-T437 WeakPolarHBondContact O-CB 3.33Å; E433-T437 VanDerWaalsContact O-CG2 3.31Å; E433-T437 WeakPolarHBondContact O-CG2 3.47Å; E433-T437 PolarHBondContact O-N 2.79Å; E433-T437 PolarHBondContact O-OG1 2.85Å
434L86.5Confident76.5Confident104 Ų104106.9 Ų106.955%0.54556%0.558SS.*Hα-helixtrans-62.3-46.1169-89.8160.8000111.7T430 L431 R436 T437 Q438T430-L434 WeakPolarHBondContact O-CB 3.33Å; T430-L434 PolarHBondContact O-N 3.36Å; L431-L434 PolarHBondContact O-N 3.27Å; L434-R436 PolarHBondContact O-N 2.77Å; L434-T437 WeakPolarHBondContact CA-OG1 3.41Å; L434-T437 PolarHBondContact O-N 3.07Å; L434-T437 PolarHBondContact O-OG1 2.69Å; L434-T437 VanDerWaalsContact O-OG1 3.09Å; L434-Q438 VanDerWaalsContact O-CB 3.26Å; L434-Q438 WeakPolarHBondContact O-CB 3.46Å; L434-Q438 PolarHBondContact O-N 3.01Å
435E85.4Confident78.5Confident110 Ų110106.7 Ų106.751%0.51455%0.548SS..Hα-helixtrans-62.5-43.3175.3-178.4172.6-159.200111.3L431 N439L431-E435 WeakPolarHBondContact O-CB 3.35Å; L431-E435 PolarHBondContact O-N 3.05Å; E435-N439 WeakPolarHBondContact CG-ND2 3.41Å; E435-N439 VanDerWaalsContact O-CB 3.24Å; E435-N439 WeakPolarHBondContact O-CB 3.47Å; E435-N439 PolarHBondContact O-N 2.93Å; E435-N439 PolarHBondContact O-ND2 3.1Å
436R91.3Very high80.1Confident136 Ų136103.8 Ų103.851%0.51354%0.538SS..Hα-helixtrans-60.4-46.9175-177.9-170.7-68147.1-3.8111.9F432 E433 L434 A440F432-R436 VanDerWaalsContact O-CB 3.28Å; F432-R436 WeakPolarHBondContact O-CB 3.47Å; F432-R436 PolarHBondContact O-N 3.18Å; E433-R436 PolarHBondContact O-N 2.85Å; E433-R436 IonicContact OE1-NH1 2.69Å; L434-R436 PolarHBondContact O-N 2.77Å; R436-A440 WeakPolarHBondContact O-CB 3.41Å; R436-A440 PolarHBondContact O-N 3.4Å
437T91.1Very high81.6Confident72 Ų72108.2 Ų108.244%0.44253%0.534SS..Hα-helixtrans-71.9-39.7-177.350.10000111.9E433 L434 A440 L441E433-T437 HydrophobicContact CG-CG2 4.48Å; E433-T437 WeakPolarHBondContact O-CB 3.33Å; E433-T437 VanDerWaalsContact O-CG2 3.31Å; E433-T437 WeakPolarHBondContact O-CG2 3.47Å; E433-T437 PolarHBondContact O-N 2.79Å; E433-T437 PolarHBondContact O-OG1 2.85Å; L434-T437 WeakPolarHBondContact CA-OG1 3.41Å; L434-T437 PolarHBondContact O-N 3.07Å; L434-T437 PolarHBondContact O-OG1 2.69Å; L434-T437 VanDerWaalsContact O-OG1 3.09Å; T437-A440 PolarHBondContact O-N 3.34Å; T437-L441 VanDerWaalsContact O-CB 3.29Å; T437-L441 WeakPolarHBondContact O-CB 3.32Å; T437-L441 PolarHBondContact O-N 2.86Å
438Q88.1Confident82.3Confident129 Ų129106.4 Ų106.460%0.60353%0.527SS*.Hα-helixtrans-66.2-38.3174.2-174.4159.3-15.400111.9L434 L441 N442L434-Q438 VanDerWaalsContact O-CB 3.26Å; L434-Q438 WeakPolarHBondContact O-CB 3.46Å; L434-Q438 PolarHBondContact O-N 3.01Å; Q438-L441 PolarHBondContact O-N 3.5Å; Q438-N442 WeakPolarHBondContact O-CB 3.5Å; Q438-N442 PolarHBondContact O-N 2.72Å
439N87.1Confident82.2Confident90 Ų90106.1 Ų106.148%0.48153%0.531SS..Hα-helixtrans-65.8-41.2171.6-80.9-53.1000112.4E435 Q443E435-N439 WeakPolarHBondContact CG-ND2 3.41Å; E435-N439 VanDerWaalsContact O-CB 3.24Å; E435-N439 WeakPolarHBondContact O-CB 3.47Å; E435-N439 PolarHBondContact O-N 2.93Å; E435-N439 PolarHBondContact O-ND2 3.1Å; N439-Q443 VanDerWaalsContact O-CB 3.29Å; N439-Q443 WeakPolarHBondContact O-CB 3.25Å; N439-Q443 PolarHBondContact O-N 2.88Å
440A90.6Very high81.9Confident61 Ų61107.9 Ų107.950%0.50453%0.528SS..Hα-helixtrans-64-39.3174.500000112.3R436 T437 Q443 R444R436-A440 WeakPolarHBondContact O-CB 3.41Å; R436-A440 PolarHBondContact O-N 3.4Å; T437-A440 PolarHBondContact O-N 3.34Å; A440-Q443 PolarHBondContact O-N 2.77Å; A440-R444 WeakPolarHBondContact O-CB 3.29Å; A440-R444 PolarHBondContact O-N 3.31Å
441L88.3Confident81Confident110 Ų110109.4 Ų109.458%0.57654%0.538SS*.Hα-helixtrans-70.8-44.6178.7-162.7156000111.1T437 Q438 Q443 R444 L445T437-L441 VanDerWaalsContact O-CB 3.29Å; T437-L441 WeakPolarHBondContact O-CB 3.32Å; T437-L441 PolarHBondContact O-N 2.86Å; Q438-L441 PolarHBondContact O-N 3.5Å; L441-Q443 VanDerWaalsContact C-N 3.33Å; L441-Q443 PolarHBondContact O-N 2.86Å; L441-R444 WeakPolarHBondContact O-CB 3.37Å; L441-R444 PolarHBondContact O-N 3.34Å; L441-L445 HydrophobicContact CD2-CD1 4.47Å; L441-L445 WeakPolarHBondContact O-CB 3.38Å; L441-L445 PolarHBondContact O-N 3.32Å
442N86.8Confident79.9Confident87 Ų87113.2 Ų113.247%0.46555%0.55SS..Hα-helixtrans-57.7-44.1170.5-88.5-32.1000111.9Q438 R444 L445 Q446Q438-N442 WeakPolarHBondContact O-CB 3.5Å; Q438-N442 PolarHBondContact O-N 2.72Å; N442-R444 VanDerWaalsContact C-N 3.34Å; N442-R444 PolarHBondContact O-N 3.12Å; N442-L445 WeakPolarHBondContact O-CB 3.33Å; N442-L445 PolarHBondContact O-N 3.18Å; N442-Q446 WeakPolarHBondContact O-CB 3.27Å; N442-Q446 PolarHBondContact O-N 3.46Å
443Q88.6Confident78.4Confident108 Ų108113 Ų11351%0.50556%0.557SS.*Hα-helixtrans-67.8-34.6178.4-157.5-175.8103.100111.8N439 A440 L441 R447N439-Q443 VanDerWaalsContact O-CB 3.29Å; N439-Q443 WeakPolarHBondContact O-CB 3.25Å; N439-Q443 PolarHBondContact O-N 2.88Å; A440-Q443 PolarHBondContact O-N 2.77Å; L441-Q443 VanDerWaalsContact C-N 3.33Å; L441-Q443 PolarHBondContact O-N 2.86Å; Q443-R447 VanDerWaalsContact O-CG 3.28Å; Q443-R447 WeakPolarHBondContact O-CG 3.49Å; Q443-R447 PolarHBondContact O-N 2.85Å
444R89.2Confident76.4Confident170 Ų170112.1 Ų112.164%0.64258%0.578SS**Hα-helixtrans-64.1-46.1169.7-179.3178.3176175.3-1.3111.4A440 L441 N442 Q446 R447 M448A440-R444 WeakPolarHBondContact O-CB 3.29Å; A440-R444 PolarHBondContact O-N 3.31Å; L441-R444 WeakPolarHBondContact O-CB 3.37Å; L441-R444 PolarHBondContact O-N 3.34Å; N442-R444 VanDerWaalsContact C-N 3.34Å; N442-R444 PolarHBondContact O-N 3.12Å; R444-Q446 VanDerWaalsContact C-N 3.31Å; R444-Q446 PolarHBondContact O-N 3.17Å; R444-R447 WeakPolarHBondContact O-CB 3.44Å; R444-R447 PolarHBondContact O-N 2.84Å; R444-M448 HydrophobicContact CG-SD 4.43Å; R444-M448 WeakPolarHBondContact O-CG 3.32Å; R444-M448 PolarHBondContact O-N 2.93Å
445L84.6Confident74.2Confident98 Ų98109.3 Ų109.351%0.51357%0.574SS.*Hα-helixtrans-58.5-44.5176.7-139.481.4000111.1L441 N442 R447 M448 S449L441-L445 HydrophobicContact CD2-CD1 4.47Å; L441-L445 WeakPolarHBondContact O-CB 3.38Å; L441-L445 PolarHBondContact O-N 3.32Å; N442-L445 WeakPolarHBondContact O-CB 3.33Å; N442-L445 PolarHBondContact O-N 3.18Å; L445-R447 VanDerWaalsContact C-N 3.34Å; L445-R447 PolarHBondContact O-N 3.32Å; L445-M448 HydrophobicContact CD1-CE 3.86Å; L445-M448 PolarHBondContact O-N 2.96Å; L445-S449 PolarHBondContact O-N 3.34Å; L445-S449 PolarHBondContact O-OG 3.33Å
446Q79.4Confident72.1Confident107 Ų107112.6 Ų112.650%0.560%0.595SS.*Hα-helixtrans-69.5-28.3178.7-155.9-164.68100113N442 R444 S449 K450N442-Q446 WeakPolarHBondContact O-CB 3.27Å; N442-Q446 PolarHBondContact O-N 3.46Å; R444-Q446 VanDerWaalsContact C-N 3.31Å; R444-Q446 PolarHBondContact O-N 3.17Å; Q446-S449 PolarHBondContact O-OG 3.23Å; Q446-K450 WeakPolarHBondContact O-CB 3.39Å; Q446-K450 VanDerWaalsContact O-CD 3.32Å; Q446-K450 WeakPolarHBondContact O-CD 3.47Å; Q446-K450 WeakPolarHBondContact O-CG 3.46Å; Q446-K450 PolarHBondContact O-N 3.06Å
447R78.6Confident69.4Low158 Ų158111.6 Ų111.660%0.59661%0.608SS**Hα-helixtrans-68.6-45.6167.8-69.9170.6-160.9-174.36.5110.7Q443 R444 L445 S449 K450 T451Q443-R447 VanDerWaalsContact O-CG 3.28Å; Q443-R447 WeakPolarHBondContact O-CG 3.49Å; Q443-R447 PolarHBondContact O-N 2.85Å; R444-R447 WeakPolarHBondContact O-CB 3.44Å; R444-R447 PolarHBondContact O-N 2.84Å; L445-R447 VanDerWaalsContact C-N 3.34Å; L445-R447 PolarHBondContact O-N 3.32Å; R447-S449 PolarHBondContact O-N 3.31Å; R447-K450 PolarHBondContact O-N 3.03Å; R447-T451 PolarHBondContact O-N 3.34Å; R447-T451 PolarHBondContact O-OG1 3.49Å
448M68.4Low66.8Low96 Ų96117.9 Ų117.947%0.47363%0.63SS.*Hα-helixtrans-63.8-38.1-179.3-67.4-170.9-48.600112.9R444 L445 T451R444-M448 HydrophobicContact CG-SD 4.43Å; R444-M448 WeakPolarHBondContact O-CG 3.32Å; R444-M448 PolarHBondContact O-N 2.93Å; L445-M448 HydrophobicContact CD1-CE 3.86Å; L445-M448 PolarHBondContact O-N 2.96Å; M448-T451 VanDerWaalsContact CA-OG1 3.31Å; M448-T451 WeakPolarHBondContact CA-OG1 3.33Å; M448-T451 PolarHBondContact O-N 3.08Å; M448-T451 PolarHBondContact O-OG1 2.89Å
449S62.1Low64.4Low74 Ų74117.3 Ų117.352%0.51764%0.64SS.*Hα-helixtrans-69.3-39.1173.562.10000112.4L445 Q446 R447 T451 K452L445-S449 PolarHBondContact O-N 3.34Å; L445-S449 PolarHBondContact O-OG 3.33Å; Q446-S449 PolarHBondContact O-OG 3.23Å; R447-S449 PolarHBondContact O-N 3.31Å; S449-T451 VanDerWaalsContact C-N 3.32Å; S449-T451 PolarHBondContact O-N 2.82Å; S449-K452 PolarHBondContact O-N 2.92Å
450K63Low61.7Low138 Ų138118.9 Ų118.960%0.665%0.653SS**Hα-helixtrans-63.7-33173.2-75169.7178.4172.10112.8Q446 R447 K452Q446-K450 WeakPolarHBondContact O-CB 3.39Å; Q446-K450 VanDerWaalsContact O-CD 3.32Å; Q446-K450 WeakPolarHBondContact O-CD 3.47Å; Q446-K450 WeakPolarHBondContact O-CG 3.46Å; Q446-K450 PolarHBondContact O-N 3.06Å; R447-K450 PolarHBondContact O-N 3.03Å; K450-K452 PolarHBondContact O-N 3.29Å
451T55.1Low59.1Low116 Ų116122.1 Ų122.171%0.71267%0.666SS**THydrogen-bonded Turntrans-74.6-3.6176.246.90000115.1R447 M448 S449R447-T451 PolarHBondContact O-N 3.34Å; R447-T451 PolarHBondContact O-OG1 3.49Å; M448-T451 VanDerWaalsContact CA-OG1 3.31Å; M448-T451 WeakPolarHBondContact CA-OG1 3.33Å; M448-T451 PolarHBondContact O-N 3.08Å; M448-T451 PolarHBondContact O-OG1 2.89Å; S449-T451 VanDerWaalsContact C-N 3.32Å; S449-T451 PolarHBondContact O-N 2.82Å
452K52.9Low56.3Low191 Ų191126.2 Ų126.283%0.8368%0.68SS**THydrogen-bonded Turntrans-101.412.6177.6-146.3-178.8179.6-1780114.4S449 K450S449-K452 PolarHBondContact O-N 2.92Å; K450-K452 PolarHBondContact O-N 3.29Å
453V46.9Very low53.9Low109 Ų109131.3 Ų131.366%0.66170%0.698SS**  trans-120.774.6173.3-171.70000110.5G455V453-G455 VanDerWaalsContact C-N 3.25Å; V453-G455 PolarHBondContact O-N 3.18Å
454G41.5Very low51.2Low91 Ų91135.5 Ų135.594%0.93872%0.717SS**  trans-79.974.4159.900000109.8
455G39.3Very low48.4Very low45 Ų45133.3 Ų133.346%0.46472%0.723SS.*SBendtrans-163.5119.1-175.700000112.3V453 S457V453-G455 VanDerWaalsContact C-N 3.25Å; V453-G455 PolarHBondContact O-N 3.18Å; G455-S457 PolarHBondContact O-N 3.11Å
456N41.5Very low46Very low178 Ų178137.9 Ų137.995%0.95274%0.742SS**  trans-65.1121.9-170.4-63-21.9000113.3
457S34.2Very low43.6Very low115 Ų115136.2 Ų136.280%0.80475%0.754SS**  trans-149.1150.8155.959.30000110.7G455G455-S457 PolarHBondContact O-N 3.11Å
458K36.5Very low41.2Very low205 Ų205136.7 Ų136.789%0.89177%0.768SS**  trans-89.3158.3-172-67.3178.6-179.9176.30111.6
459S38Very low39.5Very low116 Ų116137.3 Ų137.381%0.81178%0.782SS**  trans-59.1129.8-176.853.80000114.5
460V30.7Very low38.7Very low124 Ų124139.4 Ų139.475%0.75279%0.794SS**  trans-133125.5149.2-178.40000107.8F462V460-F462 HydrophobicContact CG1-CD2 4.16Å; V460-F462 HydrophobicContact CG1-CE2 4.25Å
461T35.9Very low37.1Very low129 Ų129137 Ų13779%0.79180%0.8SS**  trans-90.8130.9174.350.30000110.6
462F30Very low35.9Very low196 Ų196140.8 Ų140.886%0.8681%0.809SS**  trans-122.6130.1156.2-97.4-88.6000110.5V460V460-F462 HydrophobicContact CG1-CD2 4.16Å; V460-F462 HydrophobicContact CG1-CE2 4.25Å
463K35.8Very low34.7Very low193 Ų193136.9 Ų136.984%0.83981%0.806SS**  trans-87.2147.9168.7-58.8174.3-178.2175.70107.8
464Q31.8Very low34.6Very low197 Ų197137.4 Ų137.492%0.92181%0.811SS**  trans-134.5129.6153.2-165.8163.31.800109.9
465T30.5Very low33.9Very low124 Ų124137 Ų13776%0.76180%0.799SS**  trans-98.4160.9-176.6-46.70000109.5
466Q33.2Very low33.4Very low193 Ų193141.8 Ų141.890%0.90281%0.813SS**  trans-58.5149.4166.2-66.4178-37.300111.7
467G29.2Very low32.9Very low73 Ų73140.1 Ų140.175%0.75380%0.804SS**  trans-171.7135.9173.500000111.6
468N29.7Very low32.6Very low167 Ų167145.1 Ų145.189%0.89381%0.805SS**  trans-80.2165.8-169.3-66.2-24000114.6
469S32.9Very low32.2Very low110 Ų110145.2 Ų145.277%0.76981%0.805SS**  trans-49171158.4-33.10000113.5
470P43.4Very low31.8Very low118 Ų118148.4 Ų148.477%0.76681%0.808SS**  cis-148.6174.818.544.6-25.1000119.8
471A29.5Very low32.9Very low88 Ų88147.5 Ų147.573%0.72780%0.804SS**  trans78151141.400000123.1
472Q31.5Very low33Very low195 Ų195146.9 Ų146.991%0.91180%0.802SS**  trans67.1116.5161.1-72.7178.3-1000121
473S27.8Very low32.9Very low108 Ų108146.2 Ų146.276%0.75580%0.802SS**  trans-89.4168148.763.90000109.3
474P43.2Very low32.5Very low120 Ų120140 Ų14078%0.77979%0.792SS**  -155-158.773.843.2-21.5000115.3
475A27.6Very low32.6Very low82 Ų82139.1 Ų139.168%0.67879%0.786SS**  trans74.6113.2168.600000117
476I28.8Very low32.6Very low146 Ų146139.1 Ų139.175%0.74978%0.781SS**  83.4105.157.4-64.9161.3000113.5
477N31.1Very low32.4Very low143 Ų143137 Ų13777%0.76578%0.776SS**  178.4128.1128.5-92.9-62.3000107
478R26.9Very low32.4Very low221 Ų221141.4 Ų141.483%0.83478%0.782SS**  cis83.689.336.9-165.2-170.9-167.8-168.45.5114.1
479K29.6Very low32.3Very low206 Ų206139.3 Ų139.390%0.89678%0.781SS**  trans-179149135.9-98.6158.9-175-176.50111.9
480Q29.2Very low32Very low184 Ų184142.4 Ų142.486%0.8678%0.783SS**  trans-115.2-150162.1-68.9-168.5-6.900109.2
481P52.3Low31.3Very low104 Ų104142.1 Ų142.168%0.67578%0.783SS**  -112.7-176.5-112.837.4-18.2000113.3
482P39Very low31.7Very low116 Ų116143.5 Ų143.575%0.75379%0.785SS**  -135.3162.4102.615.76.6000112
483Q28.7Very low31.6Very low182 Ų182143.6 Ų143.685%0.8578%0.782SS**  cis93.4114.732-158.1-166.844.600115
484G27.4Very low31.6Very low62 Ų62144.4 Ų144.464%0.63978%0.778SS**  trans159.2118.3174.600000108.1
485K32.2Very low31.3Very low180 Ų180146.8 Ų146.878%0.78378%0.777SS**  64.2131.653.9-59.1-172.7178.2-1790112.1
486N30.9Very low31.4Very low124 Ų124150 Ų15066%0.66379%0.788SS**  cis-171.4173.2-5.647.6-59000111.7
487N28.5Very low31.4Very low148 Ų148153.5 Ų153.579%0.79179%0.792SS**  trans107147.8158.4-58.9-19.3000120.6
488N29Very low31.4Very low166 Ų166152.6 Ų152.689%0.88879%0.786SS**  trans-102.3159.7-179-82.4-28.8000112.5
489S28.2Very low31.5Very low123 Ų123149.1 Ų149.186%0.8678%0.783SS**  trans-165.3170.8134.844.50000111.7
490Q26.7Very low31.5Very low175 Ų175147 Ų14782%0.81877%0.774SS**  trans-105.9149.4-160.2-60.7149.2-97.200115
491S28.8Very low31.5Very low111 Ų111148.3 Ų148.378%0.77677%0.773SS**  trans55.2-177.4141.877.70000118.3
492P37.2Very low30.5Very low118 Ų118147.1 Ų147.177%0.76677%0.767SS**  cis-115.6179.7-21.140.1-28000112.9
493K31Very low30.3Very low196 Ų196148 Ų14885%0.85277%0.765SS**  trans-86.6132.6159.7-61.2174.9-179.6176.90108.6
494D27.8Very low30.6Very low125 Ų125147.2 Ų147.267%0.66876%0.759SS**  -178.1156.6124.1-115.6-21.7000118.2
495K36.2Very low31Very low171 Ų171151 Ų15174%0.74376%0.758SS**  trans56.6120.9147.5-65.7165.3-176.5106.80121.6
496T29.1Very low30.9Very low149 Ų149149.3 Ų149.391%0.91475%0.752SS**  -142.1148.1125.8-32.60000111.2
497R29.1Very low30.8Very low220 Ų220150.5 Ų150.583%0.8376%0.757SS**  trans-97.3176.3175.6-101.3177.6168.9-151.60.4109.5
498L32.5Very low30.7Very low123 Ų123149.9 Ų149.964%0.64475%0.753SS**  cis-154.1174.612-120.3152.7000106.9
499L27.1Very low30.5Very low148 Ų148147.1 Ų147.178%0.77575%0.746SS**  -177.9124.773.9-167.971.4000114.4
500K30.1Very low30.3Very low162 Ų162148.1 Ų148.170%0.70474%0.742SS**  trans36.3126149.7-62.1-177.3175.9-177.80127.2
501Y29Very low30.3Very low212 Ų212145.3 Ų145.383%0.83174%0.737SS**  69.5149.5125.7-78.8-125.8000121.6
502S32.8Very low30.6Very low79 Ų79145.6 Ų145.655%0.55273%0.73SS**  cis-175.2154.3-12.454.70000116
503N33.7Very low30.5Very low133 Ų133147.6 Ų147.671%0.71173%0.726SS**  trans67.6152.7148.6-67.5-28.2000119.8
504K35.3Very low30.7Very low167 Ų167143.7 Ų143.773%0.72671%0.714SS**  cis-164.4157.7-5.2-120.9175.7-177.1178.40112.4
505K35.2Very low31.1Very low142 Ų142146.2 Ų146.262%0.61772%0.719SS**  trans65.7119.3149.3-68.9-174.1150.7-73.60123.2
506E31.2Very low31.1Very low143 Ų143145.1 Ų145.167%0.66872%0.715SS**  64.5166.2123.8-62.5147-153.400120.3
507I28.9Very low31.3Very low149 Ų149144.8 Ų144.876%0.76470%0.703SS**  cis-145.7-157.42.6-140.7165.5000115
508I26.5Very low31.6Very low135 Ų135141 Ų14169%0.69269%0.694SS**  trans-75151.4-175.7-73.4161.2000116.7
509S23.9Very low31.9Very low108 Ų108142.7 Ų142.776%0.75570%0.697SS**  trans17.2-176.9151.182.20000122.9
510D24.6Very low32.2Very low145 Ų145141.4 Ų141.478%0.77570%0.695SS**  cis-159.8-171.9-3.5-166.27.5000109.3
511V27.4Very low32Very low116 Ų116139.9 Ų139.970%0.70369%0.69SS**  trans82.6104.7153176.40000121
512D33.3Very low32.2Very low117 Ų117135.1 Ų135.163%0.62669%0.688SS**  55.4128.7119.9-1220.4000125.5
513K36Very low32.1Very low159 Ų159138.9 Ų138.969%0.69170%0.695SS**  trans77.1132.3134.8-87.4165.1-161.4136.20127.4
514D35.5Very low31.7Very low114 Ų114138 Ų13861%0.6170%0.697SS**  trans80128.3132.1-88.710.2000125.7
515K35.8Very low31.5Very low178 Ų178137.7 Ų137.777%0.77470%0.698SS**  trans68.8158.1145.6-64.7-179.6-174.387.80119.6
516K35.9Very low31.4Very low149 Ų149137.2 Ų137.265%0.64870%0.701SS**  cis-175.7148.3-30.9-166.2-178.8175.2-125.30109.4
517E33.3Very low31.2Very low141 Ų141140.1 Ų140.166%0.65971%0.712SS**  trans66.5156.8157.8-86.9158.1177.700119.5
518E35.3Very low31Very low140 Ų140137.9 Ų137.965%0.65472%0.715SS**  cis-171.5176.6-19.2-151.4-153.9133.700112.6
519K38.4Very low31.4Very low159 Ų159138 Ų13869%0.69172%0.722SS**  trans78.9148155.6-66.4-168.7-176.1179.40121.1
520T33.2Very low32.3Very low121 Ų121138.5 Ų138.574%0.74272%0.723SS**  cis-162.7167.8-5.910.10000109.6
521E27.3Very low33.7Very low130 Ų130136.9 Ų136.961%0.60772%0.72SS**  cis-136.5-116.8-11.4-160-160.779.300109.9K523E521-K523 WeakPolarHBondContact OE1-CG 3.25Å; E521-K523 PolarHBondContact OE1-N 3.37Å; E521-K523 IonicContact OE1-NZ 2.69Å; E521-K523 PolarHBondContact OE1-NZ 2.92Å; E521-K523 IonicContact OE2-NZ 2.72Å; E521-K523 PolarHBondContact OE2-NZ 3.25Å
522S33.3Very low34.4Very low112 Ų112137.3 Ų137.378%0.78373%0.726SS**  cis-148.1159.5-2.374.70000117.1
523K30Very low34.5Very low159 Ų159137 Ų13769%0.69173%0.733SS**  trans-46157.1175.1-72.7158-165.980.60117.2E521E521-K523 WeakPolarHBondContact OE1-CG 3.25Å; E521-K523 PolarHBondContact OE1-N 3.37Å; E521-K523 IonicContact OE1-NZ 2.69Å; E521-K523 PolarHBondContact OE1-NZ 2.92Å; E521-K523 IonicContact OE2-NZ 2.72Å; E521-K523 PolarHBondContact OE2-NZ 3.25Å
524C26Very low35.4Very low113 Ų113134.7 Ų134.776%0.76473%0.734SS**  cis-156-126.1-14.5-159.50000110.2
525H30Very low35.9Very low162 Ų162134.7 Ų134.775%0.7574%0.74SS**  cis-163.6169.30.6-141.827.8000114.7
526I33.5Very low35.5Very low132 Ų132133.6 Ų133.668%0.67774%0.742SS**  trans35.599.8167-52.3178.5000123.5
527K28.2Very low35.4Very low204 Ų204131.4 Ų131.489%0.88775%0.746SS**  trans35.1127.5131.6-60-177.7176.1-1800125.4
528A23.9Very low35.8Very low102 Ų102130.4 Ų130.484%0.84375%0.751SS**  172.8164.3114.300000114.3
529T35.5Very low35.5Very low137 Ų137132 Ų13284%0.8476%0.759SS**  trans-135.4169.3-176.15.90000111.6
530P41.6Very low35.1Very low118 Ų118132.9 Ų132.977%0.76677%0.77SS**  cis-141.5-132.346.235.7-7.4000117.1
531P54.4Low35Very low111 Ų111131.7 Ų131.772%0.72177%0.767SS**  -126.3-162.7-121.444.2-23.9000115.6
532P41.6Very low35.2Very low126 Ų126130.8 Ų130.882%0.81877%0.774SS**  cis-123.3-163.6-16.539.6-20.8000114.6
533S36.4Very low35Very low110 Ų110128.9 Ų128.977%0.76977%0.773SS**  trans-117-170-172.460.60000113.5
534P53.4Low35.2Very low111 Ų111129.7 Ų129.772%0.72178%0.777SS**  cis-134.4-151-0.746.8-27.9000112.7
535P46.7Very low35.5Very low113 Ų113133 Ų13373%0.73478%0.781SS**  cis-120.1-138.7-22.330.2-4.8000110.1
536L28.7Very low35.9Very low156 Ų156137.1 Ų137.182%0.81779%0.789SS**  cis-163.6138-7.9-144.9175.9000109.9
537S31.9Very low36.1Very low103 Ų103134.2 Ų134.272%0.7279%0.792SS**  trans-170.3-173.9164780000109.3
538P42.3Very low37.3Very low119 Ų119136.4 Ų136.477%0.77379%0.794SS**  cis-136-176.512.943.7-25000117.4
539Q30.1Very low38.7Very low175 Ų175137.8 Ų137.882%0.81879%0.788SS**  trans-93.2173.7162.8-64.8-175.8-9.800112
540L29.6Very low39.9Very low177 Ų177135.5 Ų135.593%0.92778%0.777SS**  trans-152.2165.8139.2-110.5172000110.8
541S29.8Very low41.1Very low96 Ų96134.6 Ų134.667%0.67177%0.769SS**  trans-151.7160.9-167.877.30000115.8
542S31.4Very low41.5Very low110 Ų110136.1 Ų136.177%0.76977%0.765SS**  trans69.5134.2153.1-154.30000120.3
543G29.6Very low42.8Very low73 Ų73137.8 Ų137.875%0.75376%0.759SS**  trans179.2141.4173.600000110
544F34.3Very low44.4Very low176 Ų176137.4 Ų137.477%0.77275%0.748SS**  trans-110.3175.8-164.9-91.3-100.6000114.9
545H33.3Very low45.2Very low183 Ų183137 Ų13785%0.84774%0.738SS**  trans81.2139.7172-42.6-73000117
546R36.7Very low45.9Very low248 Ų248135.1 Ų135.194%0.93672%0.722SS**  -176.888.2-63.2179.4-172.6-164.2-141.74.8108.7
547G38.7Very low47.7Very low70 Ų70132.4 Ų132.472%0.72271%0.712SS**  trans93.4169.7140.400000121.3
548R54Low48.9Very low250 Ų250135.6 Ų135.694%0.94371%0.714SS**  trans74.974.8169.9-57.3-178.3179171.5-0.9118.9
549N52.2Low49.8Very low132 Ų132134.1 Ų134.171%0.70671%0.706SS**  trans-150.314.6157.955.61.6000115.2V551 K553N549-V551 PolarHBondContact O-N 3.48Å; N549-K553 PolarHBondContact O-N 2.68Å
550S62.1Low50.4Low88 Ų88133.7 Ų133.762%0.61570%0.704SS**Hα-helixtrans-61.8-40.2179.848.40000114.1K552 K553 L554S550-K552 PolarHBondContact O-N 2.93Å; S550-K553 PolarHBondContact O-N 2.9Å; S550-L554 PolarHBondContact O-N 2.93Å
551V65.7Low50.9Low100 Ų100129 Ų12961%0.60670%0.699SS**Hα-helixtrans-64-42.9-177.4-179.10000111.8N549 K553 L554 I555N549-V551 PolarHBondContact O-N 3.48Å; V551-K553 VanDerWaalsContact C-N 3.33Å; V551-K553 PolarHBondContact O-N 2.89Å; V551-L554 WeakPolarHBondContact O-CB 3.3Å; V551-L554 PolarHBondContact O-N 3.06Å; V551-I555 HydrophobicContact CG1-CD1 4.08Å; V551-I555 WeakPolarHBondContact O-CG1 3.31Å; V551-I555 PolarHBondContact O-N 3.5Å; V551-I555 VanDerWaalsContact O-N 3.11Å
552K63.1Low51.2Low143 Ų143132 Ų13262%0.62271%0.705SS**Hα-helixtrans-61.3-45.1174.6-179.8169.6-179.6176.10110.9S550 L554 I555 D556S550-K552 PolarHBondContact O-N 2.93Å; K552-L554 PolarHBondContact O-N 3.5Å; K552-I555 PolarHBondContact O-N 2.86Å; K552-I555 VanDerWaalsContact O-N 3.12Å; K552-D556 WeakPolarHBondContact CG-OD2 3.46Å; K552-D556 VanDerWaalsContact O-CG 3.31Å; K552-D556 PolarHBondContact O-N 2.8Å
553K68.6Low51.4Low160 Ų160135.9 Ų135.970%0.69671%0.711SS**Hα-helixtrans-62.4-27179.3-155.6174.8-174.2-178.30113.3N549 S550 V551 T557N549-K553 PolarHBondContact O-N 2.68Å; S550-K553 PolarHBondContact O-N 2.9Å; V551-K553 VanDerWaalsContact C-N 3.33Å; V551-K553 PolarHBondContact O-N 2.89Å; K553-T557 PolarHBondContact O-OG1 3.49Å
554L70.6Confident51.9Low103 Ų103137.6 Ų137.654%0.53971%0.707SS.*Hα-helixtrans-76.4-41.2173.7-172.467.8000112.2S550 V551 K552 T557 F558S550-L554 PolarHBondContact O-N 2.93Å; V551-L554 WeakPolarHBondContact O-CB 3.3Å; V551-L554 PolarHBondContact O-N 3.06Å; K552-L554 PolarHBondContact O-N 3.5Å; L554-T557 WeakPolarHBondContact CA-OG1 3.4Å; L554-T557 PolarHBondContact O-N 3.41Å; L554-T557 PolarHBondContact O-OG1 2.61Å; L554-F558 HydrophobicContact CD1-CE2 3.88Å; L554-F558 HydrophobicContact CG-CD2 4.46Å; L554-F558 HydrophobicContact CG-CE2 4.06Å; L554-F558 WeakPolarHBondContact O-CD2 3.44Å
555I69.8Low51.9Low101 Ų101141.2 Ų141.252%0.51872%0.716SS.*Hα-helixtrans-66.7-42.8177.5-65.6164.8000110.7V551 K552 T557 F558 S559V551-I555 HydrophobicContact CG1-CD1 4.08Å; V551-I555 WeakPolarHBondContact O-CG1 3.31Å; V551-I555 PolarHBondContact O-N 3.5Å; V551-I555 VanDerWaalsContact O-N 3.11Å; K552-I555 PolarHBondContact O-N 2.86Å; K552-I555 VanDerWaalsContact O-N 3.12Å; I555-T557 PolarHBondContact O-N 3Å; I555-F558 PolarHBondContact O-N 2.83Å; I555-S559 PolarHBondContact O-N 2.82Å; I555-S559 PolarHBondContact O-OG 2.88Å
556D61.6Low51.7Low75 Ų75139.7 Ų139.740%0.40171%0.709SS.*Hα-helixtrans-59.9-33.8177.3-66.9-26.3000111.4K552 S559K552-D556 WeakPolarHBondContact CG-OD2 3.46Å; K552-D556 VanDerWaalsContact O-CG 3.31Å; K552-D556 PolarHBondContact O-N 2.8Å; D556-S559 PolarHBondContact O-N 3.19Å
557T65.4Low51.5Low99 Ų99133.8 Ų133.861%0.60770%0.7SS**Hα-helixtrans-75.3-17.417843.70000115.8K553 L554 I555K553-T557 PolarHBondContact O-OG1 3.49Å; L554-T557 WeakPolarHBondContact CA-OG1 3.4Å; L554-T557 PolarHBondContact O-N 3.41Å; L554-T557 PolarHBondContact O-OG1 2.61Å; I555-T557 PolarHBondContact O-N 3Å
558F56.9Low51.7Low170 Ų170135.7 Ų135.775%0.74670%0.7SS**Hα-helixtrans-94.5-5.6174.3-74.2-67.8000113.2L554 I555L554-F558 HydrophobicContact CD1-CE2 3.88Å; L554-F558 HydrophobicContact CG-CD2 4.46Å; L554-F558 HydrophobicContact CG-CE2 4.06Å; L554-F558 WeakPolarHBondContact O-CD2 3.44Å; I555-F558 PolarHBondContact O-N 2.83Å
559S61.3Low50.9Low87 Ų87130.8 Ų130.861%0.60870%0.698SS**SBendtrans-105.711.7-168-53.10000113.9I555 D556I555-S559 PolarHBondContact O-N 2.82Å; I555-S559 PolarHBondContact O-OG 2.88Å; D556-S559 PolarHBondContact O-N 3.19Å
560Q44Very low50Low167 Ų167131 Ų13178%0.7870%0.704SS**  trans-127113.4-179.1-63.3-174.716.300110.4
561G39.1Very low48.7Very low79 Ų79135.4 Ų135.481%0.81472%0.72SS**PPolyproline II helixtrans-74.8160.9176.600000113
562I37.4Very low47.2Very low158 Ų158133.7 Ų133.781%0.8172%0.722SS**PPolyproline II helixtrans-89.8117.1-179.3172169.4000111.4V564I562-V564 HydrophobicContact CG1-CG2 4.38Å
563E36Very low46.2Very low192 Ų192133 Ų13390%0.89773%0.732SS**PPolyproline II helixtrans-91.8151.9161.4-68.3-166.4150.400111.2
564V38.4Very low44.9Very low109 Ų109133.6 Ų133.666%0.66174%0.742SS**  trans-121.1128.6-172.6177.60000111.5I562I562-V564 HydrophobicContact CG1-CG2 4.38Å
565R34.3Very low43.1Very low252 Ų252138.3 Ų138.395%0.95176%0.758SS**  trans-142.5156.8164.6-75.9-59.9175.8174.4-5.6112.4
566E30.7Very low41.4Very low151 Ų151136.8 Ų136.871%0.70677%0.767SS**  trans-131.5144.8-156.1-111.8-175.6147.700112.9
567T31.8Very low40.1Very low124 Ų124139.9 Ų139.976%0.76179%0.788SS**  trans68.8179.5153.770.50000117.8
568P43Very low38.7Very low109 Ų109143.2 Ų143.271%0.70880%0.797SS**  -136.1173.1-77.841.9-26.2000114.6
569T36.5Very low38Very low148 Ų148144.4 Ų144.491%0.90880%0.802SS**  trans-158.6150.8152.4-10.20000113.5
570V34.3Very low36.7Very low136 Ų136146.2 Ų146.282%0.82481%0.813SS**  trans-112.7145.8179.2173.10000109.3
571L34.9Very low36.2Very low181 Ų181141.7 Ų141.795%0.94881%0.812SS**  trans-159.5160.8152.8-110171000112.3
572G33.7Very low35.9Very low64 Ų64144.8 Ų144.866%0.6681%0.814SS**  trans-104.9-171.1-161.400000117.7
573P42.8Very low36Very low127 Ų127142.4 Ų142.483%0.82581%0.809SS**  trans-98.9142.9-164.136.4-34.6000115.8
574L39.9Very low35.9Very low174 Ų174140.9 Ų140.991%0.91181%0.806SS**  trans-144.4159168.1-66.9174.4000110.4
575K32.7Very low35.7Very low202 Ų202143.5 Ų143.588%0.87882%0.815SS**  -174.7107.4-67.1172.8177.1-178.4-178.50108.1
576G35.4Very low35.8Very low68 Ų68137.1 Ų137.170%0.70181%0.806SS**  trans177.3103.5177.100000110.7
577V34Very low35.7Very low141 Ų141133.2 Ų133.286%0.85581%0.807SS**  75.6122.780.2167.40000111.9
578Q35.3Very low35.9Very low169 Ų169135.9 Ų135.979%0.7982%0.815SS**  cis-169.1148.9-9.3177177.624.200110
579K41.8Very low35.2Very low194 Ų194133.2 Ų133.284%0.84381%0.807SS**  trans126.4133.3167.4-74.8164-179.31780111.1
580C34.5Very low35.3Very low126 Ų126134.2 Ų134.285%0.85181%0.807SS**  cis-159.6133.8-16.3-104.50000108.5
581G33.3Very low35.3Very low72 Ų72133.3 Ų133.374%0.74280%0.802SS**  trans111.48815800000119.7
582V33.3Very low35.2Very low144 Ų144134.2 Ų134.287%0.87380%0.801SS**  trans65.5127.7132.4176.90000119
583P39.3Very low35.5Very low108 Ų108135.3 Ų135.370%0.70180%0.804SS**  -125.7174.4-68.635.9-17.3000112.4
584I34.2Very low35.2Very low160 Ų160135 Ų13582%0.82180%0.799SS**  trans-103.5132.4164.4-62.5172.9000108.2
585L34Very low34.9Very low163 Ų163134.9 Ų134.985%0.85380%0.799SS**  trans-112.7124.7165.7-75.8176.9000109.7
586P36.1Very low35Very low119 Ų119130.8 Ų130.877%0.77380%0.796SS**  trans-95.6148.3170.135.8-31.4000111.9
587G28.1Very low34.8Very low69 Ų69134.6 Ų134.671%0.71181%0.805SS**  trans109.2163.7173.100000114.3
588L36.3Very low34.5Very low180 Ų180131.2 Ų131.294%0.94280%0.799SS**  trans65.7115.5-165.9-55.9162.6000112.3
589G29.3Very low34.6Very low53 Ų53129.7 Ų129.755%0.54680%0.801SS.*  cis99106.33.700000112.5
590N38.5Very low34.2Very low168 Ų168126.2 Ų126.290%0.89880%0.797SS**  trans32.898.9160.9-54.810.9000117.5
591V34.5Very low33.9Very low118 Ų118125.2 Ų125.272%0.71579%0.791SS**  trans-13446.1167.9-158.10000112.1A593 V594V591-A593 VanDerWaalsContact C-N 3.33Å; V591-A593 PolarHBondContact O-N 3.45Å; V591-V594 HydrophobicContact CG1-CG2 4.27Å
592E32.9Very low33.6Very low199 Ų199127.7 Ų127.793%0.9380%0.795SS**  trans-94.863.8163.1-168.7175.7-171.900109.2
593A39.8Very low33.4Very low88 Ų88129.4 Ų129.473%0.72779%0.786SS**  trans-15741.5-167.900000114.5V591V591-A593 VanDerWaalsContact C-N 3.33Å; V591-A593 PolarHBondContact O-N 3.45Å
594V36.2Very low33.2Very low119 Ų119130.2 Ų130.272%0.72179%0.791SS**SBendtrans-132.3-10.2-179-1680000114.7V591V591-V594 HydrophobicContact CG1-CG2 4.27Å
595L33.3Very low32.8Very low172 Ų172128.8 Ų128.890%0.90178%0.781SS**SBendtrans-114.113.7-175.8-69.7179.7000116.1
596S35.3Very low32.7Very low117 Ų117125.9 Ų125.982%0.81878%0.775SS**  trans-146.179.7179.7-70.80000114.8
597T30.7Very low32.3Very low147 Ų147126.4 Ų126.490%0.90278%0.776SS**  trans-150123.9160.751.10000111.6
598G28.5Very low32.4Very low70 Ų70129 Ų12972%0.72278%0.778SS**  trans100.386.5-17900000113.4
599V36Very low32.2Very low137 Ų137125.8 Ų125.883%0.8377%0.77SS**  cis66.6121.539-170.90000110.1
600T34.8Very low32.2Very low122 Ų122132.7 Ų132.775%0.74879%0.789SS**  -135.1138.951.351.10000114.3
601S27Very low32.1Very low104 Ų104132.3 Ų132.373%0.72778%0.779SS**  72135.794.7-150.80000114.5
602C27.7Very low32Very low124 Ų124134.5 Ų134.584%0.83879%0.787SS**  cis-134.3161.736.5-66.70000117.6
603R29.3Very low32.4Very low181 Ų181131.1 Ų131.168%0.68378%0.775SS**  trans-104.2166.8176.5-156.3-166.717694.1143108.7E605R603-E605 IonicContact CZ-OE1 2.71Å; R603-E605 VanDerWaalsContact CZ-OE1 3.22Å; R603-E605 IonicContact CZ-OE2 2.62Å; R603-E605 IonicContact NE-OE1 3.04Å; R603-E605 IonicContact NE-OE2 3.88Å; R603-E605 PolarHBondContact NE-OE2 2.85Å; R603-E605 IonicContact NH1-OE1 3.85Å; R603-E605 PolarHBondContact NH1-OE1 3.23Å; R603-E605 IonicContact NH1-OE2 2.86Å; R603-E605 PolarHBondContact NH1-OE2 2.96Å; R603-E605 IonicContact NH2-OE1 3.66Å
604P34.9Very low32.3Very low124 Ų124136.9 Ų136.981%0.80578%0.779SS**  -143.316585.733.4-14.7000115.9
605E26.5Very low32.7Very low130 Ų130138.9 Ų138.961%0.60778%0.778SS**  trans-90.7-173165.2-64.7157.2140.500109.7R603R603-E605 IonicContact CZ-OE1 2.71Å; R603-E605 VanDerWaalsContact CZ-OE1 3.22Å; R603-E605 IonicContact CZ-OE2 2.62Å; R603-E605 IonicContact NE-OE1 3.04Å; R603-E605 IonicContact NE-OE2 3.88Å; R603-E605 PolarHBondContact NE-OE2 2.85Å; R603-E605 IonicContact NH1-OE1 3.85Å; R603-E605 PolarHBondContact NH1-OE1 3.23Å; R603-E605 IonicContact NH1-OE2 2.86Å; R603-E605 PolarHBondContact NH1-OE2 2.96Å; R603-E605 IonicContact NH2-OE1 3.66Å
606S31.4Very low33.5Very low103 Ų103135.8 Ų135.872%0.7276%0.763SS**  cis-160.2175.921.2-36.60000108.9
607T27.4Very low34.5Very low130 Ų130136.4 Ų136.480%0.79876%0.756SS**  cis-136.8-165.46.140.50000107.2
608T30Very low35.8Very low123 Ų123136.8 Ų136.876%0.75575%0.753SS**  cis-136.41509.936.30000108.9
609S31.7Very low36.8Very low112 Ų112139.7 Ų139.778%0.78375%0.752SS**  70.491.558.9-176.90000116.2
610E28.9Very low38.1Very low199 Ų199139.5 Ų139.593%0.9375%0.745SS**  -151.3175.7110.9-164.9145.6-140.700109.5
611K36.6Very low39.4Very low160 Ų160138.8 Ų138.870%0.69674%0.743SS**  trans-128.8131.6-163.2178.1-168.7175.5-171.90112.8D613K611-D613 VanDerWaalsContact CE-OD2 3.32Å; K611-D613 WeakPolarHBondContact CE-OD2 3.36Å
612N32.3Very low41Very low164 Ų164139.5 Ų139.588%0.87775%0.745SS**  trans-158.3141.8148.6-104.5-31.4000111.4
613D41.2Very low42.4Very low128 Ų128137.7 Ų137.768%0.68473%0.732SS**  trans-96.3120.4-177.3-57.8-80.9000110.5K611K611-D613 VanDerWaalsContact CE-OD2 3.32Å; K611-D613 WeakPolarHBondContact CE-OD2 3.36Å
614Y38.3Very low44.2Very low209 Ų209133 Ų13382%0.8273%0.725SS**  trans-150.494.2173-145.9-104.5000114
615F44.3Very low45.1Very low160 Ų160134 Ų13470%0.70272%0.723SS**  trans50.8115.8164-61.5-77.2000120.6
616D51.6Low47Very low107 Ų107135.6 Ų135.657%0.57273%0.73SS**  trans-62.3125.7156.3167.727.5000110.7D618 N619D616-D618 PolarHBondContact OD1-N 3.39Å; D616-N619 PolarHBondContact OD2-ND2 3.36Å
617L55.8Low48.2Very low131 Ų131135 Ų13569%0.68672%0.722SS**  trans-101-16-178.5-73.1168.4000113.4N619L617-N619 VanDerWaalsContact C-N 3.28Å; L617-N619 PolarHBondContact O-N 3.42Å
618D56.7Low49.7Very low154 Ų154135.2 Ų135.282%0.82472%0.717SS**THydrogen-bonded Turntrans-852.1-167.5-69.6-36.2000113.8D616D616-D618 PolarHBondContact OD1-N 3.39Å
619N50.5Low50.4Low132 Ų132136.7 Ų136.771%0.70672%0.718SS**THydrogen-bonded Turntrans-112.220.2-177.9-81.6-70.1000114.7D616 L617D616-N619 PolarHBondContact OD2-ND2 3.36Å; L617-N619 VanDerWaalsContact C-N 3.28Å; L617-N619 PolarHBondContact O-N 3.42Å
620L62.9Low51.1Low132 Ų132137 Ų13769%0.69171%0.71SS**PPolyproline II helixtrans-85136.2174.4-62.8-178.7000112.1
621P61.5Low52Low108 Ų108134.2 Ų134.270%0.70171%0.707SS**PPolyproline II helixtrans-69.2146.7170.630.7-34.2000110.3
622P61.7Low52.7Low118 Ų118130.8 Ų130.877%0.76670%0.703SS**PPolyproline II helixtrans-60.5141.3179.325.1-34.3000111.1
623P57.8Low52.9Low87 Ų87133 Ų13357%0.56571%0.706SS**PPolyproline II helixtrans-63.9150.8-176.826.2-34.5000111.9
624P66.6Low52.8Low82 Ų82135.9 Ų135.953%0.53272%0.715SS.*PPolyproline II helixtrans-63.8146.2176.527.6-33.6000111E626 V627P624-E626 PolarHBondContact O-N 3.47Å; P624-V627 HydrophobicContact CG-CG2 4.16Å; P624-V627 PolarHBondContact O-N 2.93Å
625L54.1Low52.5Low145 Ų145131.9 Ų131.976%0.75972%0.717SS**THydrogen-bonded Turntrans-57-20.1-170.1-149.279000114.7L628L625-L628 PolarHBondContact O-N 3.36Å
626E65.4Low51.8Low163 Ų163128.8 Ų128.876%0.76272%0.722SS**THydrogen-bonded Turntrans-65.2-36.9176.9-69155.4-168.400111.9P624 L628P624-E626 PolarHBondContact O-N 3.47Å; E626-L628 VanDerWaalsContact C-N 3.31Å; E626-L628 PolarHBondContact O-N 2.82Å
627V57.6Low51.2Low91 Ų91130 Ų13055%0.55274%0.735SS**G310 helixtrans-74.7-22.8179.9-177.10000112P624 M629P624-V627 HydrophobicContact CG-CG2 4.16Å; P624-V627 PolarHBondContact O-N 2.93Å; V627-M629 PolarHBondContact O-N 2.95Å
628L57.2Low50Low134 Ų134132.3 Ų132.370%0.70275%0.747SS**G310 helixtrans-73-5.5-177.4-150.180.8000113.7L625 E626L625-L628 PolarHBondContact O-N 3.36Å; E626-L628 VanDerWaalsContact C-N 3.31Å; E626-L628 PolarHBondContact O-N 2.82Å
629M46Very low48.6Very low154 Ų154128.5 Ų128.576%0.75974%0.743SS**G310 helixtrans-110.6-10.9-175.1-64.1-72.1-67.900113.4V627 T631V627-M629 PolarHBondContact O-N 2.95Å; M629-T631 PolarHBondContact O-N 2.86Å
630D45.5Very low47.6Very low118 Ų118127.4 Ų127.463%0.63175%0.746SS**  trans-89.479.6-174.9-76.4-17.6000111.4S632D630-S632 PolarHBondContact O-N 3.22Å
631T47.5Very low46.1Very low142 Ų142127.6 Ų127.687%0.87175%0.753SS**  trans-7555.5179.364.60000112.8M629M629-T631 PolarHBondContact O-N 2.86Å
632S51.5Low44.6Very low87 Ų87126.9 Ų126.961%0.60876%0.756SS**  trans-143.645.9-170.462.20000114.8D630D630-S632 PolarHBondContact O-N 3.22Å
633F36.7Very low43.1Very low212 Ų212126.5 Ų126.593%0.9376%0.763SS**  trans-139.180.4165.9-90.3-73.9000112.6
634E38.7Very low41.7Very low188 Ų188125.9 Ų125.988%0.87977%0.773SS**  trans-150.199.8157.7-171.5171.7-16700110.7
635S31.8Very low39.8Very low124 Ų124130.4 Ų130.487%0.86779%0.792SS**  trans171.188154.333.50000112.8
636A31.6Very low38.7Very low96 Ų96126.2 Ų126.279%0.79378%0.784SS**  trans-154.2118.5159.100000110.1
637P38.4Very low37Very low132 Ų132123.7 Ų123.786%0.85778%0.784SS**  trans-80158178.633-35.1000112.4
638I29.6Very low35.7Very low180 Ų180124.5 Ų124.592%0.92379%0.79SS**  trans-69131.3-178.8-63.7167.6000111
639G28.9Very low34.6Very low73 Ų73126.1 Ų126.175%0.75379%0.791SS**  trans-140.8155.6171.700000110.1
640S28.5Very low33.9Very low109 Ų109125.6 Ų125.676%0.76280%0.796SS**  trans-115.1160.1-159.1-165.30000116
641T31.1Very low33Very low136 Ų136123.4 Ų123.483%0.83480%0.802SS**  trans83.6151.7162.770.60000120.9
642A29.8Very low32.3Very low93 Ų93126 Ų12677%0.76980%0.801SS**  trans95.580.215700000121.3
643A29.8Very low31.6Very low111 Ų111126.8 Ų126.892%0.91781%0.807SS**  40.8141.8127.100000124.1
644G29.4Very low31.5Very low74 Ų74122.8 Ų122.876%0.76380%0.802SS**  trans117.788.8169.400000111.8
645D27.4Very low31.1Very low177 Ų177119.8 Ų119.895%0.94780%0.796SS**  78.2141.374.6-169.332.2000114.3
646G29.6Very low31.2Very low57 Ų57119.9 Ų119.959%0.58879%0.786SS**  trans10694.7170.500000118.5
647S31.4Very low31.1Very low110 Ų110125 Ų12577%0.76979%0.79SS**  36.8134.2112.7-168.10000120.2
648T30.2Very low31.3Very low108 Ų108128.4 Ų128.466%0.66379%0.786SS**  cis-168.4162.1-0.518.30000112.9
649K32.6Very low31.5Very low167 Ų167126.4 Ų126.473%0.72679%0.785SS**  trans57.1104.6143.1-66.9168.1-177.7-177.20122.4
650V31.3Very low31.6Very low143 Ų143127 Ų12787%0.86778%0.782SS**  27.4129.8111.9-176.70000119
651G27.8Very low31.9Very low73 Ų73128.2 Ų128.275%0.75379%0.785SS**  trans177.923.6164.200000126.6
652K32.8Very low32Very low196 Ų196126.6 Ų126.685%0.85278%0.779SS**  trans24103.3155.6-62.9171.2-178.9172.90120.9
653S37.1Very low32.1Very low104 Ų104128.8 Ų128.873%0.72777%0.774SS**  trans36.7142.1134.863.10000124.8
654P32.8Very low32.5Very low128 Ų128132.7 Ų132.783%0.83177%0.765SS**  trans-121.698.1155.335.9-23.4000115.1
655V31.9Very low32.8Very low124 Ų124135.4 Ų135.475%0.75276%0.761SS**  4.2137.3116.6166.40000115.7
656L32.6Very low33.4Very low126 Ų126137.6 Ų137.666%0.6676%0.756SS**  cis-168.3157.9-0.8-117.2179.2000109.4
657K31Very low33.4Very low203 Ų203139.2 Ų139.288%0.88376%0.764SS**  -177.8134.9126.5-100.9157-173.3173.50113
658R41.1Very low33.5Very low205 Ų205139.2 Ų139.277%0.77476%0.764SS**  trans-108.3164.4164.7-63.3-175-177.598.9-1.2109.1
659P35.1Very low33.6Very low137 Ų137140.6 Ų140.689%0.8977%0.772SS**  -119.1165.710935-34.8000112.2
660A31.1Very low33.7Very low85 Ų85141.2 Ų141.270%0.70278%0.777SS**  trans-140.5145.6-176.900000111.2
661V34.3Very low33.7Very low135 Ų135141 Ų14182%0.81878%0.777SS**  trans-147.7120.2170.8-162.40000110.4
662S32.5Very low33.9Very low103 Ų103143.9 Ų143.972%0.7278%0.779SS**  trans55.5157.1150.5-70.10000122.5
663Q33.3Very low34Very low138 Ų138141.1 Ų141.165%0.64578%0.779SS**  cis-171.8134.9-35.1-121-168.63500107.7
664R38.1Very low33.9Very low194 Ų194142.6 Ų142.673%0.73278%0.783SS**  trans61.8154.5142.9-69.8163.884.1-168.14.1118.5
665L35Very low34.2Very low131 Ų131144.4 Ų144.469%0.68679%0.785SS**  cis-151.4178.26.2-126.9168000111.3
666R39.2Very low34.4Very low222 Ų222144.4 Ų144.484%0.83879%0.788SS**  trans-72.6148.8-171-64.1-176.4-80-156-0.9115.8
667A30.1Very low34.3Very low91 Ų91144.3 Ų144.375%0.75280%0.797SS**  -132.3136.712800000106.3
668S33.3Very low34.6Very low111 Ų111145 Ų14578%0.77680%0.8SS**  cis72.684.317.8-156.20000114
669V33.6Very low34.1Very low136 Ų136139 Ų13982%0.82480%0.803SS**  trans-132123.4164.3-175.10000107
670Q33.7Very low33.9Very low180 Ų180136.3 Ų136.384%0.84180%0.8SS**  trans-91.4149.4170.7-78.7175-71.600110
671T31.4Very low34.3Very low140 Ų140139.6 Ų139.686%0.85980%0.804SS**  trans-80.5128.4174.339.30000111
672V31.6Very low34.1Very low133 Ų133139 Ų13981%0.80680%0.803SS**  trans-139.2128160.1179.90000108
673T35.4Very low34.7Very low138 Ų138141.3 Ų141.385%0.84780%0.802SS**  trans-96.2135.2179.543.20000110.8
674V35.3Very low34.5Very low134 Ų134139.9 Ų139.981%0.81281%0.807SS**  trans-140.3128.8168.4-173.50000109.1
675L38.5Very low34.2Very low167 Ų167132.9 Ų132.987%0.87479%0.786SS**PPolyproline II helixtrans-81.5134.7-177.5-68.2163.1000111.8
676P36.3Very low34Very low124 Ų124133.3 Ų133.381%0.80578%0.783SS**PPolyproline II helixtrans-81.9124.516631.7-31000111
677S31.2Very low33.5Very low123 Ų123126 Ų12686%0.8676%0.76SS**PPolyproline II helixtrans-73.7139.4176.155.30000112.7
678K35.9Very low33.4Very low217 Ų217127.9 Ų127.994%0.94376%0.761SS**PPolyproline II helixtrans-82.1133.2-177.8-164.6174.2-173.5174.60111.5
679G31Very low33Very low80 Ų80130.9 Ų130.983%0.82576%0.761SS**  trans179.9141.3172.100000115
680G30.4Very low32.7Very low80 Ų80134.1 Ų134.183%0.82577%0.767SS**  trans112.779.5169.400000116.2
681I41.2Very low32.3Very low154 Ų154128.3 Ų128.379%0.7976%0.755SS**  trans-112.2141.7161.8-63169.9000108.1Q683I681-Q683 HydrophobicContact CG2-CG 4.25Å
682P30.1Very low32.2Very low122 Ų122128.5 Ų128.579%0.79276%0.757SS**  trans-113.8117152.333.1-22.5000111.4
683Q44.3Very low32.4Very low152 Ų152128.6 Ų128.671%0.7176%0.76SS**  trans-83.2158.6166.3-66.1178.4-22.600110.9I681I681-Q683 HydrophobicContact CG2-CG 4.25Å
684S29.3Very low31.8Very low108 Ų108125.9 Ų125.976%0.75575%0.751SS**  trans177.5149.8144.6158.70000112.1
685T31Very low31.5Very low48 Ų48129.3 Ų129.329%0.29476%0.755SS.*  cis-178.8173.7-31.443.80000106.1P967 I969T685-P967 HydrophobicContact CG2-CG 4.31Å; T685-P967 WeakPolarHBondContact CG2-O 3.33Å; T685-I969 CarbonylContact C-O 2.93Å
686K30.4Very low31Very low140 Ų140126.3 Ų126.361%0.60975%0.749SS**  trans117.278.9147.5-53.4-141175.6-176.70120.4A968 I969 C970K686-A968 PolarHBondContact N-O 2.92Å; K686-I969 CarbonylContact C-O 3.58Å; K686-I969 VanDerWaalsContact CA-O 3.25Å; K686-I969 WeakPolarHBondContact CA-O 3.15Å; K686-I969 PolarHBondContact N-O 2.92Å; K686-C970 VanDerWaalsContact O-CB 3.3Å; K686-C970 WeakPolarHBondContact O-CB 3.33Å
687I28.6Very low30.6Very low69 Ų69129.3 Ų129.335%0.35475%0.749SS.*  61.9140.8100.8-64.5157.9000119.2F689 A968 I969I687-F689 HydrophobicContact CG2-CD2 3.33Å; I687-F689 HydrophobicContact CG2-CE2 3.67Å; I687-F689 HydrophobicContact CG2-CG 4.4Å; I687-A968 PolarHBondContact N-O 3.18Å; I687-I969 PolarHBondContact N-O 3.32Å
688V28.5Very low30.3Very low129 Ų129129.5 Ų129.578%0.78275%0.745SS**  173.5111.9129.5150.70000106.9
689F26Very low29.8Very low175 Ų175123 Ų12377%0.76873%0.727SS**  71.410867.6-86.1-60.7000116.5I687I687-F689 HydrophobicContact CG2-CD2 3.33Å; I687-F689 HydrophobicContact CG2-CE2 3.67Å; I687-F689 HydrophobicContact CG2-CG 4.4Å
690Q26.9Very low29.7Very low203 Ų203126.8 Ų126.895%0.94972%0.723SS**  -162.9170.9125.2-133.2169.2-8.200110.7
691G24.4Very low29.5Very low58 Ų58131.7 Ų131.760%0.59872%0.724SS**  trans-175.9170.2177.400000114.5
692T29.2Very low28.8Very low145 Ų145131.2 Ų131.289%0.8973%0.728SS**  trans61.1141178530000116.3
693P35.7Very low28.7Very low135 Ų135128.2 Ų128.288%0.87772%0.719SS**  -136.3-157.167.539.4-20.7000115
694A24.5Very low28Very low80 Ų80129 Ų12966%0.66173%0.725SS**  trans-139.1-167.7-167.800000113.7
695F27.6Very low27.9Very low206 Ų206131.6 Ų131.690%0.90473%0.725SS**  trans74.5149.2-176.4-53.6-81.8000114.8
696S28.7Very low27.8Very low105 Ų105134.6 Ų134.673%0.73474%0.744SS**  cis-165-167.7-17.6530000107.5
697K27.1Very low27.7Very low186 Ų186136 Ų13681%0.80975%0.752SS**  cis-169.4178.110.1-157.9-177.1176.2-176.10109.1
698V24.8Very low27.8Very low127 Ų127138.3 Ų138.377%0.7777%0.774SS**  trans75.6132.2161.3-1800000116.3
699S26.4Very low27.6Very low82 Ų82136.5 Ų136.557%0.57377%0.767SS**  cis-146.2161.5-1.2-143.70000114.6
700Q28.6Very low27.6Very low159 Ų159133.8 Ų133.874%0.74376%0.761SS**  trans37.5109.9151.6-72.8151.2-51.700119.7
701H26.6Very low27.8Very low183 Ų183131.7 Ų131.785%0.84775%0.751SS**  73.2139.681-69-157.7000112.9
702V26.7Very low28Very low143 Ų143136 Ų13687%0.86776%0.756SS**  cis-142.7166.219.8178.70000107.6
703G27.2Very low28Very low59 Ų59133.5 Ų133.561%0.60874%0.74SS**  cis139158.6-1.700000112.1
704M30.3Very low27.5Very low170 Ų170137.7 Ų137.784%0.83774%0.738SS**  trans66.4119.3-172.3-76.9175.4163.100115.1
705E27.1Very low27.8Very low162 Ų162142.7 Ų142.776%0.75775%0.745SS**  78.1140.776.3-72.4174.7-139.200112.6
706T29Very low27.8Very low111 Ų111138.2 Ų138.268%0.68174%0.735SS**  cis-153.1164.114.8-16.60000113.5
707E27.4Very low27.9Very low170 Ų170140.6 Ų140.679%0.79474%0.738SS**  trans33.8142.4143.3-88.4-173.4136.300126.4
708S31.2Very low27.9Very low116 Ų116140 Ų14081%0.81174%0.738SS**  trans71.3173.9140.781.80000118.6
709S25.2Very low28Very low91 Ų91140.9 Ų140.964%0.63674%0.744SS**  cis-172.7171-44.9-174.50000107.5
710N26Very low28.1Very low119 Ų119148.5 Ų148.564%0.63676%0.76SS**  trans64.5127.7156.5-72.9-28.1000120.8
711H30.2Very low28Very low158 Ų158151.9 Ų151.973%0.73177%0.766SS**  trans72.8158133.8-64.2-10.4000119.2
712Q28.3Very low28.1Very low150 Ų150148.2 Ų148.270%0.70176%0.761SS**  cis-168.9159.5-29.1-169.1-172.3-4.800108.3
713T29.6Very low28.2Very low92 Ų92145.2 Ų145.256%0.56475%0.746SS**  trans64.5114.6151.229.20000121.4
714R25.3Very low28.2Very low222 Ų222149.6 Ų149.684%0.83876%0.756SS**  77.1159.1121.7-84.6176.4173.5166.2-5.1121.2
715K30.2Very low28.1Very low186 Ų186146.3 Ų146.381%0.80975%0.75SS**  trans75.5146.9159.5-73.5173.5177.6-174.20116.8
716T28.8Very low28.2Very low111 Ų111146 Ų14668%0.68175%0.753SS**  cis169.3143.1-43.833.10000107.8
717L30.1Very low28Very low155 Ų155144.9 Ų144.981%0.81275%0.75SS**  trans68.2133.2165.8-58.7159.5000114.6
718H27.5Very low27.9Very low175 Ų175145.6 Ų145.681%0.8175%0.753SS**  7698.252-90.88.9000115.3
719T26.8Very low27.8Very low145 Ų145144.7 Ų144.789%0.8975%0.747SS**  trans-176.6153.4147.6240000107.2
720R28.4Very low28.1Very low241 Ų241145.5 Ų145.591%0.90975%0.752SS**  cis-151.7162.6-19.9-168.6170.2178.1177.5-1.8107.9
721R27.1Very low28.5Very low231 Ų231144.4 Ų144.487%0.87275%0.754SS**  trans-69.5172.3176.7-150.9-173.9-151.4178.76.7112.8
722S27Very low28.6Very low105 Ų105144 Ų14473%0.73476%0.756SS**  trans79.9149.3165.4-82.20000117.2
723S30.1Very low28.6Very low80 Ų80141.3 Ų141.356%0.55975%0.754SS**  cis-165.9156.8-13.3-115.20000112.5
724D25.8Very low28.7Very low152 Ų152146.6 Ų146.681%0.81376%0.763SS**  trans64.7152.7141.9-46.4-18.7000121.8
725S30.1Very low28.8Very low101 Ų101143 Ų14371%0.70676%0.756SS**  trans-88.2154.9-165.651.70000115.2
726N27.9Very low28.8Very low154 Ų154138 Ų13882%0.82475%0.749SS**  trans167.1158.7138.3-86.5-12.2000109
727S24.2Very low28.7Very low88 Ų88139 Ų13962%0.61576%0.755SS**  cis-175142.2-20.250.10000107.1
728E26Very low28.7Very low186 Ų186137.1 Ų137.187%0.86976%0.755SS**  trans49.4133.3161.3-60.5-167.993.200119.4
729S29.6Very low28.8Very low96 Ų96138.4 Ų138.467%0.67176%0.758SS**  167.5159.457.642.70000110.6
730S31.8Very low29.7Very low108 Ų108136.2 Ų136.276%0.75575%0.747SS**  trans65152.7143.278.90000120.4
731S33.7Very low29.5Very low97 Ų97134 Ų13468%0.67875%0.747SS**  cis-170.3-178.3-14.548.60000112.3
732I32.4Very low29.3Very low149 Ų149126.8 Ų126.876%0.76474%0.744SS**  trans83.4133.2166.9-55.9174.7000114
733S27.3Very low29.2Very low94 Ų94130.7 Ų130.766%0.65775%0.751SS**  cis-130.8138.222.361.60000114.3
734R33.3Very low29.2Very low202 Ų202132.1 Ų132.176%0.76276%0.761SS**  60.9141.199.1-55.9173.1172.9-106.69.4116.1
735E27.3Very low30.3Very low148 Ų148130.7 Ų130.769%0.69276%0.759SS**  cis-169.5154.9-7.8-104.1166.6101.200105.3
736A30.3Very low30.2Very low79 Ų79132.5 Ų132.565%0.65376%0.761SS**  cis-166.6-164.9-8.400000110.4
737T26.7Very low30.5Very low132 Ų132131.2 Ų131.281%0.8176%0.759SS**  trans79.2130.7161.216.10000122.7
738S28.4Very low30.9Very low116 Ų116134.7 Ų134.781%0.81177%0.765SS**  trans64.3120.3156.339.80000122.2
739K29.6Very low31.2Very low202 Ų202134.5 Ų134.588%0.87876%0.764SS**  trans-88.5-169159.1-50.6-178.3176.4-178.90109.4
740P46.6Very low31.5Very low99 Ų99136.3 Ų136.364%0.64377%0.766SS**  cis-140.8-177.1-2.743.2-24.5000116.9
741Q24.6Very low31.4Very low195 Ų195134.1 Ų134.191%0.91176%0.761SS**  trans56.6147.9147.6-79.4169.1-86.200121.8
742G22.9Very low31.1Very low79 Ų79138.6 Ų138.681%0.81477%0.768SS**  trans143.6125.4158.700000113.6
743E24.7Very low30.9Very low188 Ų188138.3 Ų138.388%0.87977%0.766SS**  trans-93.6142168.3-72178.394.100111.2
744S29.6Very low30.9Very low110 Ų110139.2 Ų139.277%0.76977%0.773SS**  trans64.9-171.5157.5-510000115
745P48.6Very low30.8Very low121 Ų121136 Ų13679%0.78678%0.775SS**  -133.2-156.9-100.740.8-21.1000113.9
746N29Very low31.4Very low139 Ų139133.9 Ų133.974%0.74377%0.774SS**  trans89173.8160.7-159.419.1000117.3
747V33.4Very low31.5Very low127 Ų127138.1 Ų138.177%0.7778%0.781SS**  trans83.8129176.5-168.80000115.3
748Q33.1Very low31.8Very low161 Ų161136.4 Ų136.475%0.75277%0.774SS**  cis166.2121.9-41.7166.8-17985.100107.3
749H32.9Very low31.8Very low183 Ų183138 Ų13885%0.84777%0.773SS**  trans-159.2138.8167.4-167-71.2000110.6
750N35.6Very low31.6Very low133 Ų133134.3 Ų134.371%0.71177%0.768SS**  cis-158.2139.6-33.7-170.4-3.2000107.7
751G28.6Very low30.6Very low62 Ų62135 Ų13564%0.63978%0.776SS**  trans117.5133.9168.900000115
752K27.7Very low30.8Very low192 Ų192129.6 Ų129.684%0.83576%0.764SS**  cis-163.8145.8-8.1-129.8-179-178.9179.40110.3
753I28.5Very low31Very low142 Ų142131.9 Ų131.973%0.72876%0.762SS**  trans82.6119.3153.6-59.9161.2000119.5
754S26.5Very low31.2Very low113 Ų113129.4 Ų129.479%0.7975%0.754SS**  trans84.1162.3147.3-69.10000124.3
755V31.5Very low31.1Very low135 Ų135129.6 Ų129.682%0.81875%0.75SS**  trans-158.4160.4-156.9156.60000105.5
756P41.2Very low31.3Very low103 Ų103129.5 Ų129.567%0.66975%0.749SS**  cis-129.4-162.8735.1-13.1000114.8
757Q32.4Very low31.8Very low169 Ų169128.4 Ų128.479%0.7975%0.749SS**  trans83.2150.4139.3-171.5175.4-19.600120
758S32.5Very low31.4Very low96 Ų96127.3 Ų127.367%0.67175%0.747SS**  trans75.9127.6-179.2-52.20000114.4
759N27.8Very low31.4Very low148 Ų148125.4 Ų125.479%0.79175%0.752SS**  cis79.2139.140.6-63.1-13.5000114.4
760T25.5Very low31.1Very low125 Ų125124.5 Ų124.577%0.76775%0.752SS**  trans69.685.9164.3-47.80000114.7
761S26.5Very low31.1Very low115 Ų115122.6 Ų122.680%0.80475%0.754SS**  82.216095.5-58.90000112.7
762A28.9Very low30.9Very low80 Ų80124.9 Ų124.966%0.66176%0.76SS**  cis-155.7162.616.300000112.8
763T27.2Very low30.9Very low127 Ų127120.8 Ų120.878%0.77976%0.756SS**  trans61.9125.9130-64.50000119.5
764I28.8Very low31.5Very low137 Ų137122.9 Ų122.970%0.70376%0.763SS**  cis-153128.9-0.3-119.2176.2000107
765V26.7Very low32.1Very low114 Ų114122.9 Ų122.969%0.69176%0.76SS**  49.6114.3102.6179.80000115.1
766P53.9Low32.3Very low118 Ų118123.6 Ų123.677%0.76677%0.765SS**  trans-78.8155.816235.6-34.3000110.6
767P38.7Very low31.6Very low116 Ų116122 Ų12275%0.75377%0.767SS**  -147.9178.3111.243.1-28.2000112.3
768S24.6Very low31.6Very low104 Ų104120.5 Ų120.573%0.72777%0.769SS**  cis-143.3130.66.5-24.10000111.5
769S33.9Very low32.3Very low121 Ų121121.2 Ų121.285%0.84677%0.772SS**  trans-83.5144.2136.7-60.50000107.6
770I25.4Very low33.3Very low165 Ų165119.3 Ų119.385%0.84677%0.767SS**  trans-155.1132.5146.2-107.6156.4000107.6
771A35.5Very low33.7Very low93 Ų93119.9 Ų119.977%0.76977%0.77SS**  trans-107.9173.1170.200000109.1
772S25.6Very low34Very low109 Ų109120.1 Ų120.176%0.76277%0.772SS**  trans74.3140.3-171.6-1410000112.9
773S27.9Very low34.2Very low106 Ų106126.1 Ų126.174%0.74178%0.783SS**  cis-147.5172.45.9-300000112
774Q39.6Very low34.3Very low186 Ų186123.8 Ų123.887%0.86978%0.784SS**  trans-50.6162.7160.5-79.1-175.6-13.200113.2
775P41.1Very low34.6Very low113 Ų113129.2 Ų129.273%0.73480%0.796SS**  cis-146.2170.933.240.4-19.4000119.9
776V34.4Very low35Very low151 Ų151131.3 Ų131.392%0.91580%0.8SS**  trans33119.6147.6-177.40000120.4
777G27.5Very low34.1Very low70 Ų70133 Ų13372%0.72280%0.802SS**  trans179.7155.5163.800000113.6
778T32.4Very low34.2Very low137 Ų137133 Ų13384%0.8480%0.802SS**  trans-132.2-165.5-176.253.50000111.5
779P46.8Very low34.3Very low111 Ų111133.3 Ų133.372%0.72180%0.804SS**  -119.1-144.4-83.343.7-27000109.7
780P48.7Very low34.5Very low107 Ų107134 Ų13470%0.69580%0.803SS**  cis-127.4-148.4-23.337.9-17.3000112.1
781V32.7Very low34.9Very low137 Ų137131.9 Ų131.983%0.8380%0.8SS**  trans84123174.3-171.80000113.5
782S33.8Very low34.4Very low121 Ų121132.5 Ų132.585%0.84680%0.799SS**  cis-142.4-144-6.4660000112.7
783K33.1Very low35Very low206 Ų206133.6 Ų133.690%0.89680%0.801SS**  trans-166.6134-162.5179.1-178.7178.3-177.60112.9
784G30.1Very low35.3Very low77 Ų77134.4 Ų134.479%0.79480%0.804SS**  trans-164.6127.3167.700000112.7
785R34.7Very low34.7Very low251 Ų251130.7 Ų130.795%0.94780%0.799SS**  trans-149.6163.1-173.8-143.7-176-159.6-173.56110.1
786M34.1Very low34.2Very low159 Ų159130.4 Ų130.478%0.78380%0.799SS**  trans-70148.7179.7-66.1176.568.300113.6
787L36Very low34Very low152 Ų152130.3 Ų130.380%0.79679%0.793SS**  trans38.9135.7147-60179000119.6
788P40.1Very low34.2Very low117 Ų117135.4 Ų135.476%0.7680%0.798SS**  -154.3178.27142.5-22.8000118.6
789S27.8Very low34.1Very low111 Ų111140.7 Ų140.778%0.77680%0.802SS**  trans62.4118.2150.7-58.60000124.1
790T37.3Very low33.2Very low134 Ų134146 Ų14682%0.82281%0.808SS**  trans-12.8154.115258.60000121
791P33.2Very low32.4Very low121 Ų121148 Ų14879%0.78681%0.811SS**  -142.8173.4105.640.8-28.7000117.5
792S25.6Very low32.9Very low107 Ų107147.4 Ų147.475%0.74881%0.811SS**  trans-19.6149.317154.90000122.7
793T37.8Very low32.6Very low131 Ų131146 Ų14680%0.80480%0.801SS**  trans-59.5153.2160.253.50000113.6
794P35Very low33.1Very low123 Ų123142.2 Ų142.280%0.79980%0.798SS**  -140.6178.5108.839.7-29000114.3
795S27.4Very low33.1Very low109 Ų109146.7 Ų146.776%0.76280%0.802SS**  trans-94.9160.4174.261.10000112.4
796S29.1Very low32.8Very low106 Ų106138 Ų13874%0.74179%0.791SS**  168145.7128.250.10000116.6
797L31.1Very low32.8Very low149 Ų149135.7 Ų135.778%0.7879%0.79SS**  trans55.5103140.7-63.4171000123.8
798H30.6Very low32.6Very low178 Ų178137.5 Ų137.582%0.82479%0.792SS**  48.3110.5117.8-80.7-103.3000122.5
799R30.8Very low32.2Very low248 Ų248139.4 Ų139.494%0.93679%0.788SS**  -157.7162.1128.8-85.9-169.5-170.3-138.31.1110
800R27.6Very low32.3Very low223 Ų223141.1 Ų141.184%0.84278%0.784SS**  -170.899.7-50.7-177.8-176.3-165.3-178.15.4108.8
801L31.5Very low32Very low147 Ų147140.6 Ų140.677%0.7778%0.78SS**  trans67.3165.9165.1-70171.7000116.5
802P43.8Very low31.6Very low125 Ų125139.9 Ų139.981%0.81277%0.774SS**  cis-125.2177.713.842.9-28000118.2
803S28Very low31.9Very low93 Ų93141.8 Ų141.865%0.6577%0.774SS**  trans-83175.7-177-36.40000114
804P42.8Very low32Very low126 Ų126141.4 Ų141.482%0.81877%0.774SS**  -140.8-1789338.5-24000116.5
805L30.4Very low31.6Very low171 Ų171140.1 Ų140.190%0.89577%0.768SS**  trans-61.5165.3-177.9-69.657000113
806G28.5Very low31.6Very low69 Ų69141.5 Ų141.571%0.71177%0.772SS**  cis159150.11.100000109.4
807S35Very low31.4Very low109 Ų109143.6 Ų143.676%0.76278%0.775SS**  169.6156.674.552.40000112.1
808K30.9Very low31.3Very low190 Ų190142.3 Ų142.383%0.82678%0.778SS**  trans47.1134151-66.3174.3-178173.90119.3
809K32.7Very low31.4Very low157 Ų157139 Ų13968%0.68378%0.775SS**  cis-161142.27.9-105.7176.4171-83.20107.1
810E30.3Very low32Very low147 Ų147132.3 Ų132.369%0.68776%0.764SS**  69.2123.572.3-165.1174.6-135.700112.7
811V29Very low32.2Very low123 Ų123127.4 Ų127.475%0.74576%0.758SS**  cis-161152.8197.60000114.8
812T26.1Very low32.2Very low107 Ų107127.3 Ų127.366%0.65676%0.759SS**  trans17.9123141.4-54.10000124
813I31.7Very low31.5Very low147 Ų147131.3 Ų131.375%0.75476%0.763SS**  34.1127.5121.7-48.7169.5000117.2
814P40.3Very low31.6Very low122 Ų122133.2 Ų133.279%0.79277%0.771SS**  -156.7167.681.643-22.2000121.4
815S25.7Very low32.3Very low97 Ų97132.5 Ų132.568%0.67877%0.767SS**  trans-73160.6167-34.80000113.2
816T27Very low33Very low137 Ų137129.9 Ų129.984%0.8476%0.76SS**  172160.9115.133.60000115
817N26.4Very low33.3Very low150 Ų150133 Ų13380%0.80277%0.765SS**  trans-44.1148.8176.7-46.7-31.2000117.5
818S28.2Very low34.3Very low123 Ų123133.2 Ų133.286%0.8676%0.764SS**  173.8163.9112.245.80000114.7
819S32.8Very low35.5Very low108 Ų108130.2 Ų130.276%0.75576%0.764SS**  trans-110.9-168.8168.359.10000108.5
820P42.2Very low35.5Very low108 Ų108126.8 Ų126.870%0.70177%0.765SS**  cis-149176.39.445.6-25000119
821V32.2Very low35.5Very low120 Ų120127 Ų12773%0.72777%0.77SS**  trans61.8130.8135.1166.90000124.2
822N32Very low35.8Very low145 Ų145127.8 Ų127.878%0.77577%0.765SS**  trans69127153.9-73.5-12.4000123.9
823K30.1Very low35.9Very low208 Ų208132.4 Ų132.490%0.90477%0.771SS**  trans-174.4157131.7-100.5153-172.1173.30113.7
824T28.4Very low35.7Very low133 Ų133136.6 Ų136.682%0.81678%0.777SS**  trans-145.8177.9177.947.60000109.1
825P57.8Low35.9Very low112 Ų112138.4 Ų138.473%0.72778%0.779SS**  cis-111.7-150.1-37.936.4-16.9000109.2
826P46.2Very low36.3Very low115 Ų115139.6 Ų139.675%0.74779%0.785SS**  -146.4159.262.338.5-18.2000117.3
827T34Very low36.4Very low135 Ų135138.4 Ų138.483%0.82878%0.782SS**  trans-151.4114.5176.336.30000115.5
828P56.6Low38.1Very low113 Ų113137 Ų13773%0.73478%0.781SS**  trans-95.9-174.1152.537.8-31.2000110.6
829P55.3Low38.7Very low127 Ų127136.6 Ų136.683%0.82578%0.775SS**  cis-107-126.7-7.322.32.2000110.7
830A32.3Very low38.4Very low85 Ų85138.1 Ų138.170%0.70278%0.78SS**  cis-156.9-1544.700000113
831L31.9Very low37.6Very low153 Ų153136.7 Ų136.780%0.80178%0.777SS**  trans-146.2152.5-159.4-68176000111.3
832Q34.4Very low37.3Very low138 Ų138137.7 Ų137.765%0.64578%0.779SS**  cis-166.9162.8-20.9-134.9-174.955.600111.2
833R29Very low37.3Very low205 Ų205137.5 Ų137.577%0.77477%0.773SS**  trans76.6115.2150.2-72.7177.6-171.7-1731.6124.3
834R27.2Very low37.3Very low235 Ų235134 Ų13489%0.88776%0.764SS**  82.8135.3114.2-149.1-178.1-154.7179.95.8121.5
835L43.2Very low37.4Very low159 Ų159132.4 Ų132.483%0.83276%0.759SS**  trans-87.7157.7171.4-75.2160.7000113
836P34.6Very low36Very low123 Ų123132.1 Ų132.180%0.79976%0.759SS**  -145.3-171.4107.141.4-26.7000115.4
837S29.6Very low35.2Very low112 Ų112133.1 Ų133.178%0.78376%0.763SS**  trans-99.3179.1-173-39.20000113.7
838P62.2Low34.9Very low121 Ų121131.8 Ų131.879%0.78676%0.76SS**  trans-97.6167.6-157.539.4-39000117.3
839P40.1Very low33.6Very low113 Ų113135.9 Ų135.973%0.73476%0.762SS**  trans-137136140.737.9-23.9000113.5
840V26.6Very low33.3Very low141 Ų141134.6 Ų134.686%0.85575%0.753SS**  85.8103.789.3177.70000117.1
841A26.8Very low33.2Very low78 Ų78138.4 Ų138.465%0.64576%0.755SS**  trans63.8150.9135.800000125.5
842N24.5Very low33Very low141 Ų141140 Ų14075%0.75476%0.755SS**  trans71.9147150-66.8-13.3000119.2
843Q32Very low33.1Very low141 Ų141137.6 Ų137.666%0.65976%0.758SS**  cis-160.5151.5-7.6-124.3-177.734.800112.4
844N31.6Very low33.6Very low134 Ų134134.1 Ų134.172%0.71776%0.763SS**  trans61.9153.7144.4-65.6-14000119.7
845S29.3Very low33.8Very low100 Ų100128.1 Ų128.170%0.69976%0.757SS**  cis-153.5151.835.350.60000116
846S28.8Very low34.5Very low106 Ų106126.3 Ų126.374%0.74176%0.755SS**  trans53.2138.1147.4540000120.6
847T29.6Very low35.1Very low136 Ų136126.5 Ų126.583%0.83476%0.756SS**  cis-147.41662.1430000107.7
848S27.6Very low34.9Very low107 Ų107125.8 Ų125.875%0.74876%0.756SS**  cis-151.617922.4-163.20000112.1
849Y28.7Very low33.4Very low198 Ų198125.6 Ų125.678%0.77676%0.758SS**  trans-125-177.4-178.1-103.8-111.3000109.6
850P48.9Very low34.3Very low100 Ų100125.3 Ų125.365%0.64976%0.756SS**  cis-141.8157.813.633.2-10.5000120.1
851F29.9Very low34.4Very low166 Ų166128.2 Ų128.273%0.72876%0.758SS**  trans58.1154.2145.5-64.6-45.7000120.7
852K28.5Very low34.7Very low186 Ų186130.7 Ų130.781%0.80976%0.764SS**  cis-155.1163.60.9-128.9167.9-170.9177.50110
853A37.2Very low35Very low87 Ų87131.2 Ų131.272%0.71976%0.762SS**  trans-122.7154.3164.600000110.4
854P39.2Very low35.1Very low133 Ų133130.3 Ų130.386%0.86476%0.756SS**  -150.3-170.4118.940.4-23000115.2
855S30.7Very low34.8Very low109 Ų109133.9 Ų133.976%0.76276%0.76SS**  trans-79.5170-172.2-30.20000115.8
856P58.1Low34.8Very low121 Ų121133.8 Ų133.879%0.78676%0.759SS**  trans-84.7160-178.438-37.3000113
857P47.5Very low34.8Very low126 Ų126138.2 Ų138.282%0.81876%0.759SS**  -157.5-169.984.642.7-22.1000117.3
858A26.2Very low34.7Very low97 Ų97139.8 Ų139.880%0.80276%0.755SS**  trans87.7147149.300000122.8
859S30.3Very low34.7Very low118 Ų118140.6 Ų140.683%0.82575%0.75SS**  trans-125.5-174.6171.8-32.40000108.8
860P58.8Low34.7Very low107 Ų107136.1 Ų136.170%0.69575%0.748SS**  cis-128.2169.1-38.137.9-23.4000114
861K28.5Very low33.8Very low202 Ų202136.4 Ų136.488%0.87875%0.748SS**  trans-172.8150.2153.6-91.7129.2-1641700110
862V33.2Very low34Very low129 Ų129136.6 Ų136.678%0.78275%0.752SS**  cis101.4135.42.7-173.80000117.2
863Q30.9Very low34.2Very low153 Ų153135.8 Ų135.872%0.71575%0.75SS**  trans95.8142-178.9-61.8-159.31.900115.8
864K33Very low33.9Very low122 Ų122135.9 Ų135.953%0.5375%0.746SS.*  cis-163.5157.74.1-130168.7-177.8162.80115.2
865W26.8Very low33.5Very low208 Ų208135 Ų13579%0.78874%0.743SS**  trans65.2153.7153.4-71.3-35.2000118.4
866S27.4Very low33.6Very low98 Ų98134.5 Ų134.569%0.68575%0.745SS**  cis-162175.78.9-112.90000110.5
867R29.9Very low32.4Very low200 Ų200136.4 Ų136.476%0.75574%0.744SS**  cis169.3122.7-27.6173.2179.1-171.2-1449.2111.8
868K28Very low31.6Very low169 Ų169137.1 Ų137.174%0.73574%0.738SS**  trans71.2161.8167.4-67.6-169.5168.5-1670117.8
869N27.3Very low31.8Very low123 Ų123142.3 Ų142.366%0.65874%0.743SS**  cis-168.4159.6-18.4-105.414.9000111.9
870S28.6Very low32Very low105 Ų105141.7 Ų141.773%0.73474%0.738SS**  trans45.9159.2143.660.70000124.3
871T29.9Very low30.5Very low106 Ų106144.2 Ų144.265%0.6575%0.746SS**  cis-175.4162.4-27.1-63.70000106.9
872E34Very low30.7Very low170 Ų170138.4 Ų138.479%0.79474%0.736SS**  trans68.3152.4162.5-86.7132.6-131.700118.1
873E32.3Very low30.7Very low168 Ų168144 Ų14479%0.78574%0.743SS**  cis-158.3163.6-17.3-135.4-171.2-171.200113.9
874S32.2Very low30.8Very low89 Ų89141.3 Ų141.362%0.62274%0.741SS**  trans44.5117.1149.3-67.70000126.8
875S30.6Very low31.1Very low115 Ų115141 Ų14180%0.80475%0.749SS**  96.1130.3124.176.70000124.4
876A31.9Very low31Very low98 Ų98140.4 Ų140.481%0.8175%0.753SS**  trans46.2144.9147.500000123.1
877Q32.6Very low31.7Very low161 Ų161140.7 Ų140.775%0.75275%0.753SS**  cis-167.1136.4-14.5165.6172-23.900110.7
878M30.5Very low32Very low141 Ų141136.9 Ų136.970%0.69575%0.754SS**  trans62.4138.9173-66.7158.671.300116
879F30.1Very low32.1Very low206 Ų206135.1 Ų135.190%0.90476%0.757SS**SBendcis-111.2144.111.6-52.6-103.2000111.2
880S35.4Very low32.8Very low105 Ų105134.4 Ų134.473%0.73476%0.762SS**  trans-150.2162.3-171.765.10000111.9
881N27.1Very low33.3Very low160 Ų160135 Ų13586%0.85676%0.764SS**  cis-148.9167.28.7-139.3-8.3000111.9
882A33.4Very low33.5Very low80 Ų80134.8 Ų134.866%0.66177%0.766SS**  trans-139.9172.3174.200000111.6
883R31.9Very low33.4Very low246 Ų246134 Ų13493%0.92877%0.765SS**  trans70.9143.1-175.7-63.1-178.8179-162.5-0.6112.8
884S33.3Very low33.6Very low98 Ų98134.4 Ų134.469%0.68576%0.764SS**  cis98.1117.533.9-163.90000112.8
885V39Very low33.6Very low115 Ų115138.3 Ų138.370%0.69777%0.772SS**  trans43.8128.6164.8-59.10000120.1
886F25.2Very low33.7Very low196 Ų196137.4 Ų137.486%0.8677%0.772SS**  -172.6149.4107.5-105.7-71.3000111.4
887C42.3Very low33.4Very low104 Ų104141.6 Ų141.670%0.70378%0.775SS**  trans-102138.2160.7-59.50000109.3
888P36.8Very low33.7Very low119 Ų119138.8 Ų138.877%0.77377%0.771SS**  trans-68.8124.5137.731.1-28.4000107.4
889V28.8Very low33.4Very low132 Ų132137.5 Ų137.580%0.877%0.774SS**  69.8105.164.1178.60000111.5
890S43.8Very low33.2Very low108 Ų108133.4 Ų133.476%0.75577%0.771SS**  trans-80165.5172.9-340000112.1
891P38.6Very low32.9Very low119 Ų119134.9 Ų134.977%0.77378%0.775SS**  -114.2150.2112.935.7-35000109.9
892S33.3Very low32.9Very low100 Ų100134.2 Ų134.270%0.69978%0.777SS**  64.1132.954.5-150.60000111.2
893M32.7Very low32.6Very low154 Ų154138.3 Ų138.376%0.75978%0.782SS**  cis-151.1170.826.1-158.1149.754.300111.5
894F36.4Very low33.2Very low177 Ų177131.1 Ų131.178%0.77677%0.767SS**  trans73.4132.4-168.8-61-85000114.3
895E31.7Very low33.5Very low170 Ų170132.1 Ų132.179%0.79477%0.771SS**  cis-156.4163.5-11-153.7172.8153.100111.6
896A32.2Very low33Very low96 Ų96135.1 Ų135.179%0.79378%0.778SS**  trans63.3116.4162.900000121.4
897Q26.5Very low33.1Very low187 Ų187129.5 Ų129.587%0.87477%0.768SS**  trans-101.3-176.8162.3-115.5-163.40.400109.5
898P37.7Very low32.3Very low102 Ų102135.8 Ų135.866%0.66278%0.777SS**  cis-135.7-160.2-27.638-18.1000113
899C25Very low32Very low113 Ų113135.9 Ų135.976%0.76478%0.775SS**  trans-32151.9165.2-57.10000117
900S25.2Very low31.8Very low120 Ų120134.5 Ų134.584%0.83977%0.772SS**  -160151.872.8-64.30000116.4
901V29.7Very low31Very low137 Ų137136.2 Ų136.283%0.8377%0.772SS**  trans-89.6148.1169.51710000109.9
902V27.3Very low30.4Very low146 Ų146141 Ų14189%0.88578%0.775SS**  trans-161.9151143.21310000110.9
903Q26.6Very low30.2Very low165 Ų165141.9 Ų141.977%0.77178%0.776SS**  trans-115.1-127.5-174.4-160.8-172.75.800109.1
904P45.4Very low30Very low95 Ų95139.2 Ų139.262%0.61777%0.772SS**  -69-153.5-99.4-8.530.2000114.4
905P39.3Very low29.6Very low119 Ų119136.4 Ų136.477%0.77377%0.77SS**  cis-114171.5-3.511.215.3000113.6
906Q29.6Very low29.6Very low179 Ų179135.9 Ų135.984%0.83677%0.771SS**  cis110.5140.518.9-164.4-175.3-13.700112.8
907A25.5Very low29.4Very low78 Ų78136.5 Ų136.565%0.64577%0.77SS**  trans80.899.8161.800000121.6
908W26.6Very low29.6Very low236 Ų236133.6 Ų133.689%0.89477%0.77SS**  75147.8115.5-7833.9000123.6
909T31Very low29.2Very low121 Ų121134.1 Ų134.174%0.74278%0.775SS**  trans78.5121.6147.741.80000123.7
910S24.8Very low29.3Very low103 Ų103141.1 Ų141.172%0.7279%0.785SS**  67101.6125.1-170.10000121.5
911N26.7Very low29.5Very low144 Ų144138.3 Ų138.377%0.7778%0.775SS**  45.1139.9109.6-16123000120.5
912R25.6Very low29.4Very low218 Ų218137.4 Ų137.482%0.82378%0.775SS**  trans92.5132.9-170.5-66.5-169.3-176.2-88.33.1113.4
913V29.1Very low29.6Very low119 Ų119142.1 Ų142.172%0.72178%0.777SS**  cis72.1108.226.6-171.90000112
914S28.7Very low29.6Very low98 Ų98137.7 Ų137.769%0.68578%0.775SS**  cis-178.1-161.211.444.70000109.3
915V28.3Very low29.2Very low119 Ų119144.4 Ų144.472%0.72179%0.789SS**  trans80.995.8156.7177.70000118.7
916L31.6Very low29Very low158 Ų158147.6 Ų147.683%0.82779%0.791SS**  58.7152.1122.5-74.1165.1000124.6
917S27.9Very low30.2Very low110 Ų110145 Ų14577%0.76979%0.789SS**  trans79.4106.3146.1-70.10000121.2
918S31.1Very low30.5Very low126 Ų126147.2 Ų147.288%0.88179%0.794SS**  -145.6147.7124.559.10000110.2
919C27.8Very low30.6Very low112 Ų112141 Ų14176%0.75779%0.787SS**  trans-125172.7179.6-152.60000110.1
920W27.9Very low30.7Very low260 Ų260141.1 Ų141.199%0.98579%0.787SS**  trans71.4153.1-173.8-50.5-32.5000115.8
921G28.6Very low31Very low61 Ų61144.5 Ų144.563%0.62979%0.791SS**  cis170.395.9-10.300000117.5
922S28.8Very low31.2Very low118 Ų118140.6 Ų140.683%0.82579%0.785SS**  trans68.7149.8148.581.90000122.9
923R30Very low32.3Very low246 Ų246136.3 Ų136.393%0.92879%0.786SS**  trans91.6110.1145-165.8-176.7-71.6-122.32.1120.1
924G27.7Very low32.9Very low71 Ų71140.3 Ų140.373%0.73279%0.788SS**  trans-175.8157.5162.900000110.8
925R37.4Very low34.2Very low237 Ų237141.6 Ų141.689%0.89479%0.794SS**  trans-145.4138.9-177.5-63.3-171.8-169.6-171.94113.9
926F34.8Very low34.5Very low186 Ų186143.9 Ų143.982%0.81679%0.794SS**  trans41140.5148-62.1-59.2000122
927P53.4Low34.8Very low124 Ų124143.7 Ų143.781%0.80580%0.799SS**  -117-140.487.515.72.4000115.6
928V32.4Very low35Very low125 Ų125148.5 Ų148.576%0.75880%0.801SS**  -159.6162.2-125.9145.90000112.8
929S29.8Very low35.1Very low106 Ų106152.7 Ų152.774%0.74180%0.797SS**  trans69.2155.9167.9670000117.1
930V31.5Very low35.2Very low122 Ų122152.2 Ų152.274%0.73980%0.795SS**  cis-152.1151.241.6161.50000113.4
931Q32.4Very low35.4Very low174 Ų174148.1 Ų148.181%0.81379%0.787SS**  trans46.4138.6163.7-116.466.8-11.200124.5
932G31Very low35.5Very low62 Ų62150.1 Ų150.164%0.63979%0.791SS**  trans-94.6-151.9152.600000111.9
933P48Very low36Very low128 Ų128151.7 Ų151.783%0.83179%0.79SS**  cis-134.9176.934.841.4-25.4000116.6
934R41.3Very low36.2Very low204 Ų204151.3 Ų151.377%0.7779%0.789SS**  trans-105.3153.5160.5-70.9-177.9174.5-173.8-1.6110.5F936R934-F936 HydrophobicContact CB-CE1 4.17Å; R934-F936 HydrophobicContact CB-CZ 4.27Å
935P56.2Low37Very low125 Ų125159.3 Ų159.381%0.81280%0.797SS**  trans-102.8169144.435.5-29.4000111.7
936F35.6Very low37.1Very low166 Ų166154.1 Ų154.173%0.72879%0.794SS**  trans-142.5131.2-170.3-28.8-109.7000111.3R934R934-F936 HydrophobicContact CB-CE1 4.17Å; R934-F936 HydrophobicContact CB-CZ 4.27Å
937V36.8Very low37Very low154 Ų154150.7 Ų150.793%0.93379%0.793SS**  trans-139.4162.9160.9-175.10000108.9
938R33Very low36.2Very low212 Ų212153.3 Ų153.380%0.880%0.8SS**  trans-104155.3-156.8-74.4171.9160.7172.3-6.3115.7
939R32.5Very low36Very low213 Ų213151.7 Ų151.780%0.80479%0.794SS**  trans80.6113.7138.2-84.8173.4175.8-172.9-3.8122.1
940S30.1Very low35.9Very low103 Ų103153.5 Ų153.572%0.7279%0.792SS**  93.4149.3119.2-61.20000122.2
941Q31.6Very low35.7Very low174 Ų174153 Ų15381%0.81379%0.79SS**  trans96.3131.7162.4-58.8-64.410.100121
942S31.6Very low35.5Very low102 Ų102148.6 Ų148.671%0.71378%0.778SS**  trans43.4108.9151.961.60000121.8
943D39.9Very low35.4Very low151 Ų151156.2 Ų156.281%0.80779%0.787SS**  -0.4121.9129.8-177.923.6000118.3
944R34Very low34.4Very low239 Ų239155.5 Ų155.590%0.90277%0.771SS**  trans-167.3137.7144.7-110.1169.9-169.4-166.43.2112.2
945R44.2Very low33.9Very low239 Ų239153.5 Ų153.590%0.90277%0.771SS**  trans-80153.6160.7-68-179.3176-176.6-2.4110.9
946P40Very low32.5Very low127 Ų127151.1 Ų151.183%0.82577%0.769SS**  trans-123135.9140.234.5-25.6000111.6
947S31.4Very low32.3Very low115 Ų115150 Ų15080%0.80478%0.776SS**  trans-93152.6163.546.80000110.2
948L36.6Very low31.9Very low179 Ų179145.7 Ų145.794%0.93775%0.753SS**  trans-112.1155.3163.7-74.6175.7000110.1
949S28.9Very low31.7Very low90 Ų90140.6 Ų140.663%0.62975%0.745SS**  trans-116.6164.5-17448.20000110.2
950M27.6Very low31.4Very low144 Ų144133.5 Ų133.571%0.70973%0.732SS**  -179.8122.996.4-91.1-79.7111.300107.5
951T28.2Very low31.4Very low112 Ų112135.6 Ų135.669%0.68773%0.73SS**  63.2149.596.566.90000117
952S27.6Very low31.2Very low81 Ų81132.7 Ų132.757%0.56673%0.725SS**  cis179.8177.1-13.4175.60000110.1
953R28.8Very low31Very low223 Ų223134 Ų13484%0.84273%0.733SS**  trans100.7117.8164.6-56.2167.3-163.3-1634.6114.9
954F27Very low30.5Very low113 Ų113130.2 Ų130.250%0.49673%0.729SS.*  81.7114.555.1-63.1-38.2000112.1I358 F360I358-F954 HydrophobicContact CD1-CE2 4.09Å; I358-F954 HydrophobicContact CD1-CZ 3.88Å; I358-F954 HydrophobicContact CG2-CE2 4.3Å; I358-F954 HydrophobicContact CG2-CZ 4.36Å; F360-F954 HydrophobicContact CE1-CD1 4.39Å; F360-F954 HydrophobicContact CE1-CG 4.49Å; F360-F954 HydrophobicContact CE2-CE1 4.32Å; F360-F954 AromaticContact CZ-CD1 3.69Å; F360-F954 HydrophobicContact CZ-CD1 3.69Å; F360-F954 HydrophobicContact CZ-CD2 4.49Å; F360-F954 AromaticContact CZ-CE1 3.72Å; F360-F954 HydrophobicContact CZ-CE1 3.72Å; F360-F954 HydrophobicContact CZ-CG 4.12Å; F360-F954 HydrophobicContact CZ-CZ 4.17Å
955Q31.1Very low30.2Very low161 Ų161125 Ų12575%0.75273%0.729SS**  85.7132.858.7-84.9-166.7-22.900114.8F360F360-Q955 HydrophobicContact CE1-CB 4.33Å
956G26.1Very low29.7Very low76 Ų76120.9 Ų120.978%0.78472%0.72SS**  trans170.5131.7168.300000113
957T32.6Very low29.5Very low142 Ų142117.8 Ų117.887%0.87170%0.7SS**  trans-145.4162.8-174.754.50000112.1
958S26.9Very low29.4Very low64 Ų64114 Ų11445%0.44868%0.676SS.*  trans153.5156.6159.5174.90000111.1K363K363-S958 WeakPolarHBondContact O-CB 3.21Å; K363-S958 PolarHBondContact O-OG 3.47Å
959V29.5Very low29.3Very low104 Ų104111.4 Ų111.463%0.6366%0.662SS**  cis170.3156.3-43.7142.20000108.8N365N365-V959 PolarHBondContact ND2-O 2.79Å
960A26.6Very low29.3Very low65 Ų65110.6 Ų110.654%0.53766%0.655SS.*  trans80.5152.7171.900000116.3N365N365-A960 HydrophobicContact CB-CB 3.94Å
961E28.9Very low29.6Very low146 Ų146109.7 Ų109.768%0.68266%0.658SS**  cis-166.2166.5-7.3-124173.3155.800113.1
962T27.1Very low29.5Very low113 Ų113114 Ų11469%0.69367%0.667SS**  trans61.3126.2151.653.40000124.2
963C28Very low29.5Very low131 Ų131113.2 Ų113.289%0.88567%0.672SS**  trans63.2145.1132.9-57.40000122.1
964G29.9Very low29.4Very low71 Ų71110.5 Ų110.573%0.73267%0.673SS**  trans-130.9-174178.600000114.5
965S27.9Very low29.4Very low129 Ų129111.6 Ų111.690%0.90268%0.684SS**  trans-161.7155.8176.2-66.50000112.1
966E34Very low29.2Very low153 Ų153111.8 Ų111.872%0.71569%0.69SS**  trans-84.1171.2172-146.6-159.3130.300111.8A968E966-A968 PolarHBondContact OE1-N 3.31Å
967P35.6Very low29.4Very low61 Ų61115 Ų11540%0.39669%0.69SS.*  -162.9125.795.638.1-14.8000120.2T685T685-P967 HydrophobicContact CG2-CG 4.31Å; T685-P967 WeakPolarHBondContact CG2-O 3.33Å
968A29.8Very low30Very low36 Ų36113.4 Ų113.430%0.29868%0.681SS.*  54.1109.3109.100000124.9K686 I687 E966K686-A968 PolarHBondContact N-O 2.92Å; I687-A968 PolarHBondContact N-O 3.18Å; E966-A968 PolarHBondContact OE1-N 3.31Å
969I33.4Very low30Very low125 Ų125114.2 Ų114.264%0.64169%0.692SS**  trans64.2164.8131.523169.3000127.4T685 K686 I687T685-I969 CarbonylContact C-O 2.93Å; K686-I969 CarbonylContact C-O 3.58Å; K686-I969 VanDerWaalsContact CA-O 3.25Å; K686-I969 WeakPolarHBondContact CA-O 3.15Å; K686-I969 PolarHBondContact N-O 2.92Å; I687-I969 PolarHBondContact N-O 3.32Å
970C29.1Very low30Very low72 Ų72120.9 Ų120.949%0.48671%0.706SS.*  trans79.9146.2149.9-72.60000121.4K686K686-C970 VanDerWaalsContact O-CB 3.3Å; K686-C970 WeakPolarHBondContact O-CB 3.33Å
971T33.2Very low29.9Very low125 Ų125125 Ų12577%0.76771%0.714SS**  cis-157.5154.4-12.625.40000111.4
972K25.6Very low29.8Very low203 Ų203127.1 Ų127.188%0.88372%0.716SS**  155.8140.9106.2-165.5159.8-173.1172.30112.4
973G28.1Very low29.9Very low65 Ų65128.4 Ų128.467%0.6771%0.714SS**  trans-129.9-172.7174.900000112.7
974L26.4Very low29.9Very low166 Ų166127.5 Ų127.587%0.86970%0.699SS**  trans-156.5169.1169.3-156.165.7000110
975D28.2Very low30Very low136 Ų136135.5 Ų135.573%0.72771%0.708SS**  trans-102.6178.4-149.1-51.7-89.6000117.6
976D27.1Very low29.9Very low164 Ų164132.5 Ų132.588%0.87770%0.697SS**  trans103.9147.3137-107.1-33.3000123.1
977N30Very low29.7Very low144 Ų144130.1 Ų130.177%0.7770%0.697SS**  trans-113.8-166.6-179.4-129.9-22.4000107.5
978P45.8Very low29.4Very low108 Ų108136 Ų13670%0.70172%0.719SS**  cis-135.3170.6-142.4-25000117
979A26.6Very low29.4Very low82 Ų82138.6 Ų138.668%0.67874%0.735SS**  trans51.8133.2141.800000123.1
980R28.2Very low29.3Very low244 Ų244139.3 Ų139.392%0.92174%0.741SS**  176.3127.2109.2-94.5179.9-146-144.77.9114.8
981H25.5Very low29.6Very low152 Ų152143.1 Ų143.170%0.70476%0.756SS**  42144128-144.4-59.4000123.1
982R25.8Very low29.4Very low190 Ų190147.6 Ų147.672%0.71776%0.758SS**  trans96102.6155.3-158.3175.7-75.6-92.53114.2L984R982-L984 HydrophobicContact CG-CD1 4.1Å
983E28.8Very low29.7Very low140 Ų140143 Ų14365%0.65475%0.747SS**  76.7125.150.1-172.7-166.6-110.400112.5
984L30Very low29.8Very low111 Ų111146.2 Ų146.258%0.58175%0.754SS**  trans157.9119.3136.1-99.288.6000113R982R982-L984 HydrophobicContact CG-CD1 4.1Å
985W31Very low30.4Very low240 Ų240144 Ų14491%0.90975%0.75SS**  trans63.8150.7147.1-58.646000119.3
986G26.4Very low30.7Very low65 Ų65149.3 Ų149.367%0.6776%0.76SS**  cis165.7153.6-10.400000114.4
987S29.9Very low31Very low104 Ų104147.1 Ų147.173%0.72776%0.757SS**  trans70.4125.9158.6-56.60000122.3
988Q27.9Very low31.1Very low183 Ų183146.6 Ų146.686%0.85576%0.759SS**  trans62.9149.6133.5-86.8-179.2-29.200121.2
989S30.4Very low30.6Very low91 Ų91146.7 Ų146.764%0.63676%0.763SS**  cis-150.2153.90.5-78.80000112.6
990D30.7Very low31.2Very low140 Ų140151.2 Ų151.275%0.74977%0.77SS**  trans14.6135.6144.7-77.1-53.1000125.2
991L35.3Very low32.4Very low153 Ų153145.5 Ų145.580%0.80176%0.764SS**  trans79.2127.5132.4-68.7170.2000123.8
992R30.3Very low32.9Very low218 Ų218145.7 Ų145.782%0.82377%0.77SS**  trans98.2113.2132.8-107.1-167.3-177.6-164.31.7122.4
993T31.2Very low33.5Very low107 Ų107144.7 Ų144.766%0.65678%0.778SS**  trans78.6120.5134.334.90000123.2
994T30.4Very low33.8Very low133 Ų133143.7 Ų143.782%0.81679%0.785SS**  trans74.5137.7148.440.60000120.2
995P39Very low34.2Very low120 Ų120145 Ų14578%0.77980%0.798SS**  trans-92.1158.2-168.737.2-37.2000114.3
996R34Very low34.5Very low247 Ų247139.4 Ų139.493%0.93279%0.79SS**  trans-133.4141.1152.6-75.9-174.3173.8161.30.2109.6
997S33.6Very low34.8Very low118 Ų118139.7 Ų139.783%0.82579%0.793SS**  trans-75.6147.1-176.7-26.40000112.4
998T31.9Very low35Very low132 Ų132143.2 Ų143.281%0.8180%0.798SS**  trans-166139.1144.822.90000113.3
999S35.2Very low35.1Very low111 Ų111139.2 Ų139.278%0.77680%0.796SS**  trans61.1143.8145.956.80000122.7
1000H39.5Very low35.6Very low177 Ų177143.2 Ų143.282%0.81981%0.809SS**PPolyproline II helixtrans-65.4158.9168.9-54.5-89.3000113
1001P53.3Low35.7Very low124 Ų124148.6 Ų148.681%0.80583%0.83SS**PPolyproline II helixtrans-79.7126.7162.932.3-31.7000111.4
1002D36.8Very low35.7Very low156 Ų156148.4 Ų148.483%0.83483%0.831SS**PPolyproline II helixtrans-75.2145.6168.7-84.5-49.4000111.7C1004D1002-C1004 PolarHBondContact O-N 3.39Å
1003L38.3Very low36Very low168 Ų168144.7 Ų144.788%0.8883%0.831SS**  trans-80.698.9175.4-83.4161.1000111.2V1005L1003-V1005 PolarHBondContact O-N 3.09Å; L1003-V1005 VanDerWaalsContact O-N 3.07Å
1004C35.8Very low36.3Very low119 Ų119146.8 Ų146.880%0.80484%0.841SS**  trans-67.4101.5173.4-76.20000112.4D1002 V1006D1002-C1004 PolarHBondContact O-N 3.39Å; C1004-V1006 PolarHBondContact O-N 2.85Å
1005V37.1Very low36.6Very low139 Ų139147.6 Ų147.684%0.84284%0.843SS**  trans-75.7103169.2179.10000109.8L1003 G1007L1003-V1005 PolarHBondContact O-N 3.09Å; L1003-V1005 VanDerWaalsContact O-N 3.07Å; V1005-G1007 PolarHBondContact O-N 3.43Å
1006V37.6Very low36.5Very low122 Ų122149.4 Ų149.474%0.73985%0.847SS**  trans-84.994.5171.7-178.80000109.7C1004 Q1008C1004-V1006 PolarHBondContact O-N 2.85Å; V1006-Q1008 HydrophobicContact CG1-CG 4.35Å
1007G32.2Very low36.7Very low72 Ų72142.9 Ų142.974%0.74284%0.841SS**  trans-89.3110.3166.800000110.9V1005V1005-G1007 PolarHBondContact O-N 3.43Å
1008Q34Very low36.9Very low178 Ų178144.6 Ų144.683%0.83284%0.842SS**  trans-103.7110.9166.4-79.9-174.9-25.400110V1006V1006-Q1008 HydrophobicContact CG1-CG 4.35Å
1009A31Very low37.3Very low99 Ų99145.6 Ų145.682%0.81885%0.845SS**  trans-84.4128.6160.700000108.4
1010L40.6Very low37.4Very low174 Ų174148.5 Ų148.591%0.91185%0.85SS**  trans-82.3140169.4-74.2166.7000109.6
1011H33.1Very low37.2Very low254 Ų254145.9 Ų145.9100%1.17685%0.853SS**  trans-149.70174.3-148.5-37.6000111.6

Retrieved 1,011 of 1,011 residues in 566.6 ms (Link to these results)