A0A077ZLA3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLA3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 253 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
1M41Very low48.2Very low247 Ų247155.8 Ų155.8100%1.21783%0.834SS**  0113.30-87.3170.5155.100107.4
2I40.8Very low48.2Very low172 Ų172162.4 Ų162.488%0.88284%0.838SS**  trans-93.7115.4178.8-64.1162.8000106.4I4I2-I4 PolarHBondContact O-N 3.33Å
3S41.1Very low48.1Very low85 Ų85159.5 Ų159.559%0.59482%0.824SS**  trans-72.2113.1-17753.40000110.3H5S3-H5 PolarHBondContact O-N 2.94Å
4I49.3Very low48.4Very low166 Ų166163.7 Ų163.785%0.85182%0.824SS**  trans-68.8109.2166.639.7170.7000108.6I2I2-I4 PolarHBondContact O-N 3.33Å
5H51.2Low48.6Very low166 Ų166165.1 Ų165.177%0.76982%0.817SS**PPolyproline II helixtrans-73.7129.9173.4-72-80.9000109.5S3 E7S3-H5 PolarHBondContact O-N 2.94Å; H5-E7 PolarHBondContact O-N 3.4Å
6A56Low49.1Very low99 Ų99167.4 Ų167.482%0.81882%0.822SS**PPolyproline II helixtrans-65.4126.4178.500000110.7
7E52Low49.2Very low179 Ų179167.7 Ų167.784%0.83683%0.826SS**PPolyproline II helixtrans-64.5131.8175.5-71.8177.3145.600110.3H5 S9H5-E7 PolarHBondContact O-N 3.4Å; E7-S9 PolarHBondContact O-N 3.27Å
8P55.3Low49.1Very low108 Ų108162.4 Ų162.470%0.70182%0.822SS**PPolyproline II helixtrans-63.9122.3180-15.628.1000110F10P8-F10 PolarHBondContact O-N 3.25Å; P8-F10 VanDerWaalsContact O-N 3.13Å
9S44.2Very low49.1Very low113 Ų113157.5 Ų157.579%0.7982%0.816SS**  trans-64.7112.9173.5-55.80000108.6E7 E11E7-S9 PolarHBondContact O-N 3.27Å; S9-E11 PolarHBondContact O-N 3.45Å
10F51.1Low49.6Very low200 Ų200158 Ų15888%0.87782%0.82SS**  trans-63.699.1175.8-68.1-86.8000109.5P8 R12P8-F10 PolarHBondContact O-N 3.25Å; P8-F10 VanDerWaalsContact O-N 3.13Å; F10-R12 PolarHBondContact O-N 3.24Å; F10-R12 VanDerWaalsContact O-N 3.14Å
11E48.8Very low49.9Very low179 Ų179161.4 Ų161.484%0.83682%0.822SS**  trans-60.1118.1167.4-73.9-170.6160.800108.5S9 L13S9-E11 PolarHBondContact O-N 3.45Å; E11-L13 PolarHBondContact O-N 3.29Å
12R48.1Very low50.7Low235 Ų235155.3 Ų155.389%0.88780%0.801SS**  trans-60.7101.7-178-66.3168.377.91745.2108.3F10 R14F10-R12 PolarHBondContact O-N 3.24Å; F10-R12 VanDerWaalsContact O-N 3.14Å; R12-R14 PolarHBondContact O-N 3.09Å
13L47Very low51.6Low125 Ų125152.8 Ų152.865%0.65480%0.799SS**  trans-55.8100.6169.2-107.194000108.6E11 Y15E11-L13 PolarHBondContact O-N 3.29Å; L13-Y15 VanDerWaalsContact C-N 3.34Å; L13-Y15 HydrophobicContact CB-CD2 4.21Å; L13-Y15 HydrophobicContact CB-CE2 3.77Å; L13-Y15 HydrophobicContact CD2-CE1 3.81Å; L13-Y15 HydrophobicContact CD2-CE2 3.79Å; L13-Y15 WeakPolarHBondContact CD2-OH 3.34Å; L13-Y15 HydrophobicContact CG-CE2 4.43Å; L13-Y15 PolarHBondContact O-N 2.85Å; L13-Y15 VanDerWaalsContact O-N 3.09Å
14R51.5Low52.5Low218 Ų218157.4 Ų157.482%0.82381%0.811SS**  trans-76.791.3169-66.9-173.3-175.7-164.62.4106.8R12 F16R12-R14 PolarHBondContact O-N 3.09Å; R14-F16 PolarHBondContact O-N 2.99Å
15Y52.2Low52.8Low185 Ų185155.7 Ų155.773%0.72581%0.809SS**  trans-67114.5163.8-65.3-82.6000107.4L13 L17L13-Y15 VanDerWaalsContact C-N 3.34Å; L13-Y15 HydrophobicContact CB-CD2 4.21Å; L13-Y15 HydrophobicContact CB-CE2 3.77Å; L13-Y15 HydrophobicContact CD2-CE1 3.81Å; L13-Y15 HydrophobicContact CD2-CE2 3.79Å; L13-Y15 WeakPolarHBondContact CD2-OH 3.34Å; L13-Y15 HydrophobicContact CG-CE2 4.43Å; L13-Y15 PolarHBondContact O-N 2.85Å; L13-Y15 VanDerWaalsContact O-N 3.09Å; Y15-L17 PolarHBondContact O-N 3.12Å
16F55.9Low53.1Low202 Ų202151.7 Ų151.789%0.88680%0.804SS**  trans-65.284.2166.3-68.2-85.7000107.5R14 G18R14-F16 PolarHBondContact O-N 2.99Å; F16-G18 PolarHBondContact O-N 2.76Å
17L51.4Low53Low172 Ų172158.6 Ų158.690%0.90181%0.809SS**  trans-76.758.5176-16768.7000109.4Y15Y15-L17 PolarHBondContact O-N 3.12Å
18G47.6Very low53.4Low73 Ų73157.6 Ų157.675%0.75381%0.809SS**  trans-99.776.2170.800000108.7F16F16-G18 PolarHBondContact O-N 2.76Å
19G48.9Very low53.4Low69 Ų69159.1 Ų159.171%0.71182%0.816SS**PPolyproline II helixtrans-82.8126.8171.100000109.8R21G19-R21 PolarHBondContact O-N 3Å
20D58Low53.9Low167 Ų167160.1 Ų160.189%0.89382%0.817SS**PPolyproline II helixtrans-54.4128.6174.9-91.8-34.5000110.8P22D20-P22 WeakPolarHBondContact O-CD 3.37Å
21R56.1Low54.1Low229 Ų229154.1 Ų154.186%0.86480%0.8SS**PPolyproline II helixtrans-68.9119.7178-165.5177.4-171.1127.4-1.8107.8G19 S23G19-R21 PolarHBondContact O-N 3Å; R21-S23 PolarHBondContact O-N 2.89Å
22P57.4Low54.2Low119 Ų119151.6 Ų151.677%0.77380%0.799SS**  trans-64.6106.8178.423.9-31000109D20 Q24D20-P22 WeakPolarHBondContact O-CD 3.37Å; P22-Q24 PolarHBondContact O-N 2.88Å
23S61.4Low54.4Low120 Ų120146.2 Ų146.284%0.83979%0.788SS**  trans-82.52-176.1560000113.5R21R21-S23 PolarHBondContact O-N 2.89Å
24Q58.4Low54.4Low181 Ų181148.5 Ų148.585%0.84680%0.795SS**  trans-119.485.1-170-150.3165.912.500110.9P22 A26P22-Q24 PolarHBondContact O-N 2.88Å; Q24-A26 PolarHBondContact O-N 2.85Å
25T55.4Low54.7Low130 Ų130145.5 Ų145.580%0.79879%0.794SS**  trans-69.5113.6167.2-48.60000108.3R27T25-R27 PolarHBondContact O-N 2.82Å
26A59.2Low54.4Low82 Ų82145.3 Ų145.368%0.67880%0.799SS**PPolyproline II helixtrans-58124173.900000109.5Q24 L28Q24-A26 PolarHBondContact O-N 2.85Å; A26-L28 PolarHBondContact O-N 2.77Å
27R53.3Low53.7Low245 Ų245138.5 Ų138.593%0.92579%0.787SS**PPolyproline II helixtrans-68.1117.9175.9-64.2-168.3-175-163.92.9108.4T25 T29T25-R27 PolarHBondContact O-N 2.82Å; R27-T29 PolarHBondContact O-N 2.85Å
28L60.3Low53.4Low157 Ų157141.3 Ų141.382%0.82279%0.785SS**PPolyproline II helixtrans-70.1126.1173.5-66.1172.5000108.9A26 V30A26-L28 PolarHBondContact O-N 2.77Å; L28-V30 PolarHBondContact O-N 2.9Å; L28-V30 VanDerWaalsContact O-N 3.09Å
29T55.3Low53.1Low140 Ų140148.2 Ų148.286%0.85979%0.788SS**  trans-59.2110.9171.6-53.80000108.7R27 S31R27-T29 PolarHBondContact O-N 2.85Å; T29-S31 PolarHBondContact O-N 3.2Å
30V55.6Low53.2Low134 Ų134152.2 Ų152.281%0.81279%0.793SS**  trans-71.6111.91731790000107.2L28L28-V30 PolarHBondContact O-N 2.9Å; L28-V30 VanDerWaalsContact O-N 3.09Å
31S55.3Low52.3Low74 Ų74149.2 Ų149.252%0.51777%0.774SS.*  trans-71.7132.6171.488.60000108.7T29 D33T29-S31 PolarHBondContact O-N 3.2Å; S31-D33 PolarHBondContact O-N 2.75Å; S31-D33 PolarHBondContact OG-OD2 2.84Å
32P50Low52.1Low126 Ų126143.6 Ų143.682%0.81877%0.765SS**  trans-81.449.217435-34.1000109.9Q34P32-Q34 PolarHBondContact O-N 3.19Å; P32-Q34 VanDerWaalsContact O-N 3.12Å
33D51.5Low51.5Low122 Ų122144.8 Ų144.865%0.65276%0.76SS**  trans-82.894.9171.3-67.9-45.6000107.5S31 I35S31-D33 PolarHBondContact O-N 2.75Å; S31-D33 PolarHBondContact OG-OD2 2.84Å; D33-I35 VanDerWaalsContact C-N 3.29Å; D33-I35 WeakPolarHBondContact O-CG1 3.21Å; D33-I35 PolarHBondContact O-N 2.85Å
34Q48.4Very low51Low173 Ų173146.7 Ų146.781%0.80876%0.756SS**  trans-62.689.4173.3-168.9173.93400108.4P32 H36P32-Q34 PolarHBondContact O-N 3.19Å; P32-Q34 VanDerWaalsContact O-N 3.12Å; Q34-H36 HydrophobicContact CG-CB 4.49Å; Q34-H36 PolarHBondContact O-N 3.09Å
35I56.4Low50.6Low155 Ų155143.6 Ų143.680%0.79575%0.754SS**  trans-73.963.6176.6-42.8179.2000109D33D33-I35 VanDerWaalsContact C-N 3.29Å; D33-I35 WeakPolarHBondContact O-CG1 3.21Å; D33-I35 PolarHBondContact O-N 2.85Å
36H46.9Very low50.1Low181 Ų181147.1 Ų147.184%0.83876%0.758SS**  trans-110.669.4164.6-99.171.5000107.8Q34Q34-H36 HydrophobicContact CG-CB 4.49Å; Q34-H36 PolarHBondContact O-N 3.09Å
37G42Very low49.5Very low60 Ų60146.6 Ų146.662%0.61976%0.76SS**  trans-144.895.8-177.400000111.3
38R44.4Very low49.3Very low231 Ų231138.2 Ų138.287%0.87275%0.751SS**  trans68.192.8168.6-58.9-176.9178.8-117.7-1.4115.3L40R38-L40 VanDerWaalsContact C-N 3.29Å; R38-L40 PolarHBondContact O-N 2.79Å
39R41.9Very low48.8Very low217 Ų217138.6 Ų138.682%0.81975%0.752SS**  trans-979.5138.3-171.5-179.8178.1-172.30.2113.8E41R39-E41 HydrophobicContact CG-CB 4.39Å; R39-E41 HydrophobicContact CG-CG 4.34Å; R39-E41 IonicContact CZ-OE2 2.88Å; R39-E41 IonicContact NE-OE2 3.45Å; R39-E41 PolarHBondContact NE-OE2 3.14Å; R39-E41 IonicContact NH2-OE2 3.88Å; R39-E41 PolarHBondContact NH2-OE2 2.91Å; R39-E41 PolarHBondContact O-N 2.76Å
40L49.4Very low48.8Very low154 Ų154136.6 Ų136.681%0.80674%0.741SS**  trans-87.161.5164.1-74.4169.1000107.1R38 T42R38-L40 VanDerWaalsContact C-N 3.29Å; R38-L40 PolarHBondContact O-N 2.79Å; L40-T42 PolarHBondContact O-N 2.86Å
41E40.3Very low48.8Very low104 Ų104142.5 Ų142.549%0.48675%0.749SS.*  trans-68.184.3159.1-91.1-170.6114.300106.5R39 Q43R39-E41 HydrophobicContact CG-CB 4.39Å; R39-E41 HydrophobicContact CG-CG 4.34Å; R39-E41 IonicContact CZ-OE2 2.88Å; R39-E41 IonicContact NE-OE2 3.45Å; R39-E41 PolarHBondContact NE-OE2 3.14Å; R39-E41 IonicContact NH2-OE2 3.88Å; R39-E41 PolarHBondContact NH2-OE2 2.91Å; R39-E41 PolarHBondContact O-N 2.76Å; E41-Q43 HydrophobicContact CB-CG 4.35Å; E41-Q43 PolarHBondContact O-N 3.3Å; E41-Q43 PolarHBondContact OE1-NE2 2.92Å
42T52.2Low49.1Very low110 Ų110144.5 Ų144.568%0.67576%0.758SS**  trans-72.278156.352.50000105.9L40 Q44L40-T42 PolarHBondContact O-N 2.86Å; T42-Q44 PolarHBondContact O-N 3.13Å
43Q45.1Very low49.1Very low144 Ų144144.5 Ų144.567%0.67376%0.755SS**  trans-58.192.1163.9-77.2-74.4-28.900105.5E41 S45E41-Q43 HydrophobicContact CB-CG 4.35Å; E41-Q43 PolarHBondContact O-N 3.3Å; E41-Q43 PolarHBondContact OE1-NE2 2.92Å; Q43-S45 PolarHBondContact O-N 3.42Å
44Q50Low49.1Very low161 Ų161144.1 Ų144.175%0.75276%0.76SS**  trans-6793.8170.6-69.5-171.312.600105.8T42 K46T42-Q44 PolarHBondContact O-N 3.13Å; Q44-K46 VanDerWaalsContact C-N 3.27Å; Q44-K46 PolarHBondContact O-N 3.25Å
45S50.3Low49.5Very low115 Ų115145.3 Ų145.380%0.80477%0.765SS**  trans-62.694.716939.40000107.5Q43 G47Q43-S45 PolarHBondContact O-N 3.42Å; S45-G47 PolarHBondContact O-N 3.06Å
46K43.7Very low49.1Very low205 Ų205146.7 Ų146.789%0.89177%0.765SS**  trans-66.678.8168.1-104.4175.4176.2174.50107.9Q44Q44-K46 VanDerWaalsContact C-N 3.27Å; Q44-K46 PolarHBondContact O-N 3.25Å
47G48.4Very low49Very low70 Ų70146 Ų14672%0.72277%0.767SS**PPolyproline II helixtrans-72.8134.2171.600000110.4S45S45-G47 PolarHBondContact O-N 3.06Å
48G48.1Very low49.1Very low70 Ų70149 Ų14972%0.72277%0.773SS**PPolyproline II helixtrans-67156.6171.300000112.2
49I49.8Very low49.3Very low164 Ų164142.3 Ų142.384%0.84176%0.76SS**PPolyproline II helixtrans-53.7123.1-176.8-58.8169.2000109.6R51I49-R51 PolarHBondContact O-N 3.21Å
50P55.3Low49.3Very low98 Ų98138.9 Ų138.964%0.63676%0.757SS**PPolyproline II helixtrans-62.7128.518023.2-30.7000109.9V52P50-V52 HydrophobicContact CB-CG2 4.42Å; P50-V52 PolarHBondContact O-N 3.43Å
51R55.9Low49.3Very low259 Ų259140.3 Ų140.398%0.97776%0.757SS**SBendtrans-73.9-1.4175.8-115.4-170.6-69.2-147.40.8113.6I49I49-R51 PolarHBondContact O-N 3.21Å
52V61.7Low49.3Very low116 Ų116141.7 Ų141.770%0.70377%0.767SS**SBendtrans-113.7130.9-177.8-86.70000110.5P50P50-V52 HydrophobicContact CB-CG2 4.42Å; P50-V52 PolarHBondContact O-N 3.43Å
53T49.8Very low49.2Very low125 Ų125141.2 Ų141.277%0.76777%0.768SS**  trans-64.6132.2-179.1-26.90000110.1Q55T53-Q55 PolarHBondContact O-N 3.21Å
54P52.2Low49.1Very low115 Ų115142 Ų14275%0.74778%0.776SS**  trans-60.2120.8179.1-9.215.3000111K56P54-K56 PolarHBondContact O-N 2.87Å; P54-K56 VanDerWaalsContact O-N 3.08Å
55Q55Low48.8Very low197 Ų197138.8 Ų138.892%0.92177%0.769SS**  trans-80.529.3178.6-68.9-160.90.800114.2T53T53-Q55 PolarHBondContact O-N 3.21Å
56K49Very low48.7Very low185 Ų185139.6 Ų139.680%0.80477%0.772SS**  trans-115.784.3176.4-144.3169.9-173.81760109.9P54 T58P54-K56 PolarHBondContact O-N 2.87Å; P54-K56 VanDerWaalsContact O-N 3.08Å; K56-T58 PolarHBondContact O-N 3.08Å
57L44Very low48.6Very low167 Ų167136.1 Ų136.187%0.87476%0.762SS**  trans-48107.6161.9-65.7168.8000107P59L57-P59 WeakPolarHBondContact O-CD 3.4Å
58T45.5Very low48.1Very low122 Ų122140.7 Ų140.775%0.74877%0.769SS**  trans-65.1118.5174.2-44.50000105.7K56 L60K56-T58 PolarHBondContact O-N 3.08Å; T58-L60 PolarHBondContact O-N 3.19Å
59P48.6Very low47.3Very low90 Ų90146.7 Ų146.758%0.58477%0.771SS**  trans-62.5119.4-179.825.5-31.4000107.1L57 F61L57-P59 WeakPolarHBondContact O-CD 3.4Å; P59-F61 HydrophobicContact CG-CE2 4.19Å; P59-F61 WeakPolarHBondContact O-CD2 3.3Å; P59-F61 PolarHBondContact O-N 3.32Å
60L41.9Very low46.8Very low145 Ų145147.1 Ų147.176%0.75977%0.772SS**  trans558.9151.3-146108.2000116.7T58 L62T58-L60 PolarHBondContact O-N 3.19Å; L60-L62 HydrophobicContact CD2-CD1 3.68Å; L60-L62 HydrophobicContact CD2-CG 3.87Å; L60-L62 HydrophobicContact CG-CG 4.32Å; L60-L62 PolarHBondContact O-N 2.98Å
61F47.7Very low46.1Very low185 Ų185147.8 Ų147.881%0.81177%0.77SS**  trans-8183.8164.6-75.7-67.2000106.4P59 S63P59-F61 HydrophobicContact CG-CE2 4.19Å; P59-F61 WeakPolarHBondContact O-CD2 3.3Å; P59-F61 PolarHBondContact O-N 3.32Å; F61-S63 PolarHBondContact O-N 2.91Å; F61-S63 VanDerWaalsContact O-N 3.14Å
62L42Very low45.5Very low132 Ų132145.2 Ų145.269%0.69176%0.762SS**  trans-46.2115.6165.2-75.5156.2000109.1L60L60-L62 HydrophobicContact CD2-CD1 3.68Å; L60-L62 HydrophobicContact CD2-CG 3.87Å; L60-L62 HydrophobicContact CG-CG 4.32Å; L60-L62 PolarHBondContact O-N 2.98Å
63S49.5Very low44.3Very low101 Ų101150.9 Ų150.971%0.70677%0.77SS**  trans47.475.4143.463.50000117F61F61-S63 PolarHBondContact O-N 2.91Å; F61-S63 VanDerWaalsContact O-N 3.14Å
64L42Very low43.6Very low159 Ų159152.4 Ų152.483%0.83277%0.772SS**  trans-129.7123.7146.6-72.3176.9000109.3
65P44.3Very low43.3Very low94 Ų94152 Ų15261%0.6177%0.772SS**  trans-63.1133.2172.625.7-30.8000108.8I67P65-I67 VanDerWaalsContact C-N 3.31Å; P65-I67 HydrophobicContact CB-CD1 4.49Å; P65-I67 HydrophobicContact CB-CG1 4.29Å; P65-I67 HydrophobicContact CG-CD1 4.17Å; P65-I67 HydrophobicContact CG-CG1 4.39Å; P65-I67 PolarHBondContact O-N 3.08Å
66P47.6Very low42.6Very low133 Ų133150.4 Ų150.486%0.86477%0.769SS**  trans-73.583.1-176.530.3-34.6000109.7
67I43.2Very low42.3Very low132 Ų132152.9 Ų152.968%0.67777%0.773SS**  trans-89.1-22.1-178.4-62-179.9000112.1P65P65-I67 VanDerWaalsContact C-N 3.31Å; P65-I67 HydrophobicContact CB-CD1 4.49Å; P65-I67 HydrophobicContact CB-CG1 4.29Å; P65-I67 HydrophobicContact CG-CD1 4.17Å; P65-I67 HydrophobicContact CG-CG1 4.39Å; P65-I67 PolarHBondContact O-N 3.08Å
68L36.4Very low41.8Very low165 Ų165151.1 Ų151.186%0.86477%0.769SS**  trans-149.269.5-174.8-67.4173000114.1
69Y31.9Very low41.7Very low197 Ų197152 Ų15277%0.77377%0.774SS**  trans-123.570157.2-150.6-98.2000110.4N71Y69-N71 WeakPolarHBondContact CE1-ND2 3.34Å; Y69-N71 VanDerWaalsContact CE1-OD1 3.3Å; Y69-N71 WeakPolarHBondContact CE1-OD1 3.15Å
70M39.1Very low41.5Very low173 Ų173150.9 Ų150.985%0.85278%0.779SS**  trans-95.9108159.8-80.3-128.8178.700107.9Y72M70-Y72 VanDerWaalsContact C-N 3.3Å; M70-Y72 PolarHBondContact O-N 3.27Å
71N41.1Very low41.2Very low112 Ų112151.9 Ų151.960%0.59978%0.784SS**  trans-64.790.4167.7-81.4-34.3000108.9Y69 R73Y69-N71 WeakPolarHBondContact CE1-ND2 3.34Å; Y69-N71 VanDerWaalsContact CE1-OD1 3.3Å; Y69-N71 WeakPolarHBondContact CE1-OD1 3.15Å; N71-R73 PolarHBondContact O-N 2.89Å
72Y42.3Very low40.6Very low205 Ų205153.2 Ų153.280%0.80479%0.789SS**  trans-66.689.3164.1-117.4-95.1000107.7M70 I74M70-Y72 VanDerWaalsContact C-N 3.3Å; M70-Y72 PolarHBondContact O-N 3.27Å; Y72-I74 VanDerWaalsContact C-N 3.33Å; Y72-I74 PolarHBondContact O-N 3.06Å; Y72-I74 VanDerWaalsContact O-N 3.08Å
73R38.3Very low40.4Very low235 Ų235153.9 Ų153.989%0.88780%0.799SS**  trans-73.498.5162.2-65.1-175.595.1178.56.1106.1N71 S75N71-R73 PolarHBondContact O-N 2.89Å; R73-S75 PolarHBondContact O-N 3.37Å
74I34.4Very low40.2Very low156 Ų156152.1 Ų152.180%0.880%0.797SS**  trans-41.3117.7172.5-66.1156.8000110Y72Y72-I74 VanDerWaalsContact C-N 3.33Å; Y72-I74 PolarHBondContact O-N 3.06Å; Y72-I74 VanDerWaalsContact O-N 3.08Å
75S45.7Very low40.1Very low108 Ų108150.9 Ų150.976%0.75580%0.796SS**  trans-151.856161.8-140.60000110.1R73 R77R73-S75 PolarHBondContact O-N 3.37Å; S75-R77 PolarHBondContact O-N 3.47Å
76L40.3Very low39.7Very low162 Ų162152.6 Ų152.685%0.84881%0.805SS**  trans-92.386164.8-78.5166.8000107.7V78L76-V78 PolarHBondContact O-N 2.98Å
77R43.4Very low39.4Very low238 Ų238153.5 Ų153.590%0.89880%0.801SS**  trans-64.9101.7161.3-95.8-177.7171.2-166.6-2.5108S75S75-R77 PolarHBondContact O-N 3.47Å
78V32.9Very low39.2Very low130 Ų130152.1 Ų152.179%0.78880%0.803SS**  trans3.4121.3141.4-172.70000115L76L76-V78 PolarHBondContact O-N 2.98Å
79T43.5Very low39.7Very low140 Ų140149.4 Ų149.486%0.85980%0.796SS**  152.299.2124.3-56.40000108.6
80G44.1Very low40Very low66 Ų66143.2 Ų143.268%0.6879%0.792SS**  trans-176.867.8179.200000112.2
81I35.9Very low40Very low167 Ų167146 Ų14686%0.85679%0.793SS**  trans43.897.815153.7171.7000118.2
82F34.3Very low39.8Very low213 Ų213147.4 Ų147.493%0.93480%0.799SS**  trans-56.4127.3155.5-88-105000110.8
83T37.9Very low39.7Very low145 Ų145146.3 Ų146.389%0.8981%0.806SS**  trans-172.8123.513710.70000112.7
84G45.5Very low39.9Very low64 Ų64145.7 Ų145.766%0.6680%0.804SS**  trans89.676.1144.800000118.5T86G84-T86 VanDerWaalsContact C-N 3.3Å; G84-T86 PolarHBondContact O-N 3.24Å
85T40.6Very low40.4Very low134 Ų134146.8 Ų146.882%0.82281%0.806SS**  trans-55.491.5148.935.50000110I87T85-I87 PolarHBondContact O-N 3.05Å
86T34.7Very low40.7Very low130 Ų130147.5 Ų147.580%0.79881%0.809SS**  trans-89.987.8161460000107.4G84 S88G84-T86 VanDerWaalsContact C-N 3.3Å; G84-T86 PolarHBondContact O-N 3.24Å; T86-S88 PolarHBondContact O-N 2.78Å
87I42.4Very low41.2Very low151 Ų151145.3 Ų145.377%0.77481%0.805SS**  trans-67.785.1168.8-37.5167.6000105.5T85 P89T85-I87 PolarHBondContact O-N 3.05Å; I87-P89 WeakPolarHBondContact O-CD 3.2Å
88S39.6Very low41.4Very low104 Ų104139.7 Ų139.773%0.72779%0.793SS**  trans-87.1102.4164.9-178.90000106.3T86 G90T86-S88 PolarHBondContact O-N 2.78Å; S88-G90 PolarHBondContact O-N 2.85Å
89P45.2Very low42.2Very low108 Ų108144.9 Ų144.970%0.70180%0.798SS**  trans-68.684.5172.329.3-33.6000107.8I87 R91I87-P89 WeakPolarHBondContact O-CD 3.2Å; P89-R91 PolarHBondContact O-N 3.14Å; P89-R91 VanDerWaalsContact O-N 3.07Å
90G38.8Very low42.5Very low67 Ų67147.6 Ų147.669%0.69179%0.794SS**  trans-53.1116.8171.300000108.9S88 L92S88-G90 PolarHBondContact O-N 2.85Å; G90-L92 PolarHBondContact O-N 2.84Å
91R39.5Very low42.6Very low231 Ų231147.9 Ų147.987%0.87279%0.79SS**  trans-54126.3-174.3-61.9175.1108.6-161.84.3111.1P89P89-R91 PolarHBondContact O-N 3.14Å; P89-R91 VanDerWaalsContact O-N 3.07Å
92L37.4Very low43.7Very low141 Ų141147.4 Ų147.474%0.73879%0.787SS**  trans55.4103146.4-63.5166.6000117.5G90 R94G90-L92 PolarHBondContact O-N 2.84Å; L92-R94 VanDerWaalsContact C-N 3.34Å; L92-R94 PolarHBondContact O-N 2.67Å
93L38.7Very low45Very low182 Ų182147.4 Ų147.495%0.95378%0.781SS**  2365.5123.3-77.1160.3000115.9
94R43.3Very low46Very low223 Ų223145.2 Ų145.284%0.84278%0.777SS**  trans-126.3126.8155.2-74.2-173.583.3-157.46.8106.9L92L92-R94 VanDerWaalsContact C-N 3.34Å; L92-R94 PolarHBondContact O-N 2.67Å
95Q44.2Very low46.4Very low179 Ų179145.5 Ų145.584%0.83678%0.78SS**  trans8777.8174.4-51.2174.8-17.100113.9P97Q95-P97 VanDerWaalsContact O-CD 3.28Å; Q95-P97 WeakPolarHBondContact O-CD 3.28Å
96C53.7Low47.1Very low122 Ų122147.9 Ų147.982%0.82478%0.782SS**  trans-73.1108.3146.5-170.60000106.5N98C96-N98 PolarHBondContact O-N 3.45Å
97P49.5Very low48.2Very low116 Ų116149.3 Ų149.375%0.75379%0.785SS**  trans-85.666.2-170.732-25.7000109.6Q95 R99Q95-P97 VanDerWaalsContact O-CD 3.28Å; Q95-P97 WeakPolarHBondContact O-CD 3.28Å; P97-R99 PolarHBondContact O-N 3.46Å
98N47.1Very low48.9Very low121 Ų121150.1 Ų150.165%0.64779%0.79SS**  trans-83.859.5170-159.53.3000109.8C96 Y100C96-N98 PolarHBondContact O-N 3.45Å; N98-Y100 PolarHBondContact O-N 3.35Å; N98-Y100 VanDerWaalsContact OD1-CD2 3.29Å; N98-Y100 WeakPolarHBondContact OD1-CD2 3.08Å; N98-Y100 WeakPolarHBondContact OD1-CE2 3.04Å
99R51.2Low49.6Very low239 Ų239150.1 Ų150.190%0.90279%0.788SS**  trans-90.886.9174.2-88-171176.3-178.3-0.6109P97 A101P97-R99 PolarHBondContact O-N 3.46Å; R99-A101 PolarHBondContact O-N 2.98Å
100Y48.4Very low49.8Very low197 Ų197152 Ų15277%0.77379%0.791SS**  trans-63.7103.6156.9-76.1-83.2000108N98 I102N98-Y100 PolarHBondContact O-N 3.35Å; N98-Y100 VanDerWaalsContact OD1-CD2 3.29Å; N98-Y100 WeakPolarHBondContact OD1-CD2 3.08Å; N98-Y100 WeakPolarHBondContact OD1-CE2 3.04Å; Y100-I102 PolarHBondContact O-N 2.75Å; Y100-I102 VanDerWaalsContact O-N 3.14Å
101A47.6Very low50.4Low71 Ų71158.4 Ų158.459%0.58780%0.8SS**  trans-76.794.3174.900000109.1R99 R103R99-A101 PolarHBondContact O-N 2.98Å; A101-R103 PolarHBondContact O-N 3.14Å
102I58.1Low51Low157 Ų157153.3 Ų153.381%0.80579%0.787SS**  trans-75.1107.8168.8-58.6173.2000106.8Y100Y100-I102 PolarHBondContact O-N 2.75Å; Y100-I102 VanDerWaalsContact O-N 3.14Å
103R62.1Low51.7Low214 Ų214155.6 Ų155.681%0.80879%0.791SS**  trans-78.1120170.2-61.4-68.8-175.3-143.40.2107.1A101 G105A101-R103 PolarHBondContact O-N 3.14Å; R103-G105 PolarHBondContact O-N 3.05Å
104A58.9Low52.8Low98 Ų98156.1 Ų156.181%0.8178%0.78SS**  trans-60.4111.1169.900000108.2Q106A104-Q106 PolarHBondContact O-N 3.38Å
105G52.9Low52.8Low70 Ų70155.9 Ų155.972%0.72278%0.781SS**  trans-62131.5167.200000108.3R103R103-G105 PolarHBondContact O-N 3.05Å
106Q57Low53.4Low185 Ų185153.7 Ų153.786%0.86477%0.774SS**  trans-47.8140.9178-77168.4-20.200111.3A104 L108A104-Q106 PolarHBondContact O-N 3.38Å; Q106-L108 PolarHBondContact O-N 3.05Å
107N56Low53.4Low159 Ų159159.5 Ų159.585%0.8578%0.779SS**  trans-41.6108.7172.6-61.1-35.3000109.7P109N107-P109 WeakPolarHBondContact O-CD 3.29Å
108L57.5Low53.6Low169 Ų169159.6 Ų159.689%0.88578%0.777SS**  trans-69.2107.9166.1-97.5148.1000106.3Q106 D110Q106-L108 PolarHBondContact O-N 3.05Å; L108-D110 PolarHBondContact O-N 3.07Å
109P54Low54.1Low104 Ų104159.4 Ų159.468%0.67578%0.78SS**  trans-75.1122.1-179.530.8-28.2000108.8N107 K111N107-P109 WeakPolarHBondContact O-CD 3.29Å; P109-K111 PolarHBondContact O-N 2.94Å
110D50.9Low54.2Low146 Ų146154.6 Ų154.678%0.78177%0.771SS**  trans33.359.7142.9-78.2-10.5000117.4L108L108-D110 PolarHBondContact O-N 3.07Å
111K50.1Low54.3Low202 Ų202151.4 Ų151.488%0.87877%0.772SS**  trans-107.270.9155.1-64.9-163.8-177.6-175.80109.4P109P109-K111 PolarHBondContact O-N 2.94Å
112E52.3Low54.4Low125 Ų125153.7 Ų153.758%0.58478%0.779SS**  trans-11.9119.6157.8-58.8174.7174.100113.8R114E112-R114 HydrophobicContact CB-CG 4.44Å; E112-R114 PolarHBondContact O-N 3.35Å; E112-R114 IonicContact OE2-CZ 3.34Å; E112-R114 IonicContact OE2-NE 3.46Å; E112-R114 PolarHBondContact OE2-NE 2.97Å; E112-R114 IonicContact OE2-NH2 2.89Å; E112-R114 PolarHBondContact OE2-NH2 3.28Å
113F53.2Low53.9Low188 Ų188149.7 Ų149.783%0.82577%0.769SS**  trans-58.975.3170.8-68.4-96.7000111.7Y115F113-Y115 PolarHBondContact O-N 3.28Å
114R60Low53.2Low194 Ų194144.1 Ų144.173%0.73277%0.768SS**THydrogen-bonded Turntrans-78.66.4178.6-77.9-171.1178.7-170.4-1.2115.1E112E112-R114 HydrophobicContact CB-CG 4.44Å; E112-R114 PolarHBondContact O-N 3.35Å; E112-R114 IonicContact OE2-CZ 3.34Å; E112-R114 IonicContact OE2-NE 3.46Å; E112-R114 PolarHBondContact OE2-NE 2.97Å; E112-R114 IonicContact OE2-NH2 2.89Å; E112-R114 PolarHBondContact OE2-NH2 3.28Å
115Y44.7Very low52.8Low218 Ų218143.6 Ų143.686%0.85576%0.755SS**THydrogen-bonded Turntrans-108.214.5-174.5-65.6-76.7000115.5F113F113-Y115 PolarHBondContact O-N 3.28Å
116L55.7Low52.4Low133 Ų133146.5 Ų146.570%0.69675%0.75SS**  trans-92.714.4174.9-69.5176.8000114.5T118L116-T118 VanDerWaalsContact C-N 3.27Å; L116-T118 PolarHBondContact O-N 2.83Å
117R54.1Low51.6Low243 Ų243148.2 Ų148.292%0.91775%0.748SS**  trans-75.4-12.6-178.3-150-179.2-166.1-160.73.7114.4
118T53.8Low50.9Low118 Ų118143.9 Ų143.972%0.72474%0.741SS**  trans-103.665.3172.719.50000109.8L116 I120L116-T118 VanDerWaalsContact C-N 3.27Å; L116-T118 PolarHBondContact O-N 2.83Å; T118-I120 PolarHBondContact O-N 2.78Å
119V58.6Low50.1Low117 Ų117144.4 Ų144.471%0.70974%0.737SS**  trans-64.795.2156.3178.30000105.8V121V119-V121 PolarHBondContact O-N 2.87Å; V119-V121 VanDerWaalsContact O-N 3.12Å
120I52.8Low49.4Very low139 Ų139147.2 Ų147.271%0.71375%0.746SS**  trans-64.2111.1173-63.4169.6000105.9T118 T122T118-I120 PolarHBondContact O-N 2.78Å; I120-T122 VanDerWaalsContact C-N 3.3Å; I120-T122 PolarHBondContact O-N 2.98Å
121V49.7Very low48.9Very low129 Ų129144.3 Ų144.378%0.78274%0.737SS**  trans-68.488.7176.7178.80000107.9V119 A123V119-V121 PolarHBondContact O-N 2.87Å; V119-V121 VanDerWaalsContact O-N 3.12Å; V121-A123 VanDerWaalsContact C-N 3.31Å; V121-A123 PolarHBondContact O-N 2.8Å
122T50.3Low48.5Very low120 Ų120142.7 Ų142.774%0.73674%0.735SS**  trans-79.485170.7-48.10000107.8I120 A124I120-T122 VanDerWaalsContact C-N 3.3Å; I120-T122 PolarHBondContact O-N 2.98Å; T122-A124 PolarHBondContact O-N 2.67Å
123A46.6Very low48.2Very low73 Ų73144.2 Ų144.260%0.60375%0.746SS**  trans-62.4105.7165.400000107.5V121 V125V121-A123 VanDerWaalsContact C-N 3.31Å; V121-A123 PolarHBondContact O-N 2.8Å; A123-V125 PolarHBondContact O-N 2.83Å
124A48.6Very low47.7Very low96 Ų96139.1 Ų139.179%0.79374%0.738SS**  trans-67.879.617400000109.2T122 H126T122-A124 PolarHBondContact O-N 2.67Å; A124-H126 PolarHBondContact O-N 3.36Å
125V50Low46.9Very low87 Ų87138.1 Ų138.153%0.52774%0.742SS.*  trans-7587.2166.6-175.90000106.1A123 W127A123-V125 PolarHBondContact O-N 2.83Å; V125-W127 HydrophobicContact CB-CZ2 4.35Å; V125-W127 HydrophobicContact CG1-CD2 3.99Å; V125-W127 HydrophobicContact CG1-CE3 4.42Å; V125-W127 HydrophobicContact CG1-CH2 4.07Å; V125-W127 HydrophobicContact CG1-CZ2 3.59Å; V125-W127 HydrophobicContact CG1-CZ3 4.46Å; V125-W127 PolarHBondContact O-N 2.89Å; V125-W127 VanDerWaalsContact O-N 3.14Å; V125-W127 PolarHBondContact O-NE1 3.13Å
126H44.3Very low46.9Very low132 Ų132134 Ų13461%0.61173%0.734SS**  trans-78.195.1175.1-169.1-64.3000108.3A124 G128 F129A124-H126 PolarHBondContact O-N 3.36Å; H126-G128 PolarHBondContact O-N 2.95Å; H126-F129 AromaticContact CE1-CD2 3.36Å; H126-F129 WeakPolarHBondContact CE1-CD2 3.44Å; H126-F129 AromaticContact CE1-CE2 3.19Å; H126-F129 WeakPolarHBondContact CE1-CE2 3.03Å; H126-F129 AromaticContact NE2-CD2 3.95Å; H126-F129 AromaticContact NE2-CE2 3.28Å; H126-F129 VanDerWaalsContact NE2-CE2 3.28Å; H126-F129 WeakPolarHBondContact NE2-CE2 3.4Å
127W40.1Very low46.2Very low220 Ų220134.6 Ų134.683%0.83374%0.737SS**  trans-61.1119.5169.4-4485.3000107.8V125V125-W127 HydrophobicContact CB-CZ2 4.35Å; V125-W127 HydrophobicContact CG1-CD2 3.99Å; V125-W127 HydrophobicContact CG1-CE3 4.42Å; V125-W127 HydrophobicContact CG1-CH2 4.07Å; V125-W127 HydrophobicContact CG1-CZ2 3.59Å; V125-W127 HydrophobicContact CG1-CZ3 4.46Å; V125-W127 PolarHBondContact O-N 2.89Å; V125-W127 VanDerWaalsContact O-N 3.14Å; V125-W127 PolarHBondContact O-NE1 3.13Å
128G40.8Very low45.6Very low68 Ų68129.6 Ų129.670%0.70173%0.728SS**  trans-58.1142.2-168.600000113.8H126 D130H126-G128 PolarHBondContact O-N 2.95Å; G128-D130 PolarHBondContact O-N 3.09Å
129F41.6Very low44.7Very low181 Ų181129.2 Ų129.279%0.79473%0.725SS**  trans-62.1116172.9-77.6-84.2000110.5H126 S131H126-F129 AromaticContact CE1-CD2 3.36Å; H126-F129 WeakPolarHBondContact CE1-CD2 3.44Å; H126-F129 AromaticContact CE1-CE2 3.19Å; H126-F129 WeakPolarHBondContact CE1-CE2 3.03Å; H126-F129 AromaticContact NE2-CD2 3.95Å; H126-F129 AromaticContact NE2-CE2 3.28Å; H126-F129 VanDerWaalsContact NE2-CE2 3.28Å; H126-F129 WeakPolarHBondContact NE2-CE2 3.4Å; F129-S131 PolarHBondContact O-N 2.85Å; F129-S131 VanDerWaalsContact O-N 3.15Å
130D39.3Very low43.9Very low163 Ų163131.8 Ų131.887%0.87273%0.727SS**  trans-75.289.9164.8-178.317.7000108.6G128G128-D130 PolarHBondContact O-N 3.09Å
131S40.3Very low43.3Very low84 Ų84133.9 Ų133.959%0.58773%0.734SS**  trans-14097.2172.3177.60000107.9F129 L133F129-S131 PolarHBondContact O-N 2.85Å; F129-S131 VanDerWaalsContact O-N 3.15Å; S131-L133 PolarHBondContact O-N 3.02Å
132M42Very low42.7Very low169 Ų169136.5 Ų136.583%0.83374%0.737SS**SBendtrans37.8-20.6153-124.8-171.2-157.200122A134 H135M132-A134 PolarHBondContact O-N 2.82Å; M132-H135 PolarHBondContact O-ND1 2.85Å
133L45Very low42.1Very low156 Ų156142.2 Ų142.282%0.81775%0.745SS**  trans-76.5-5.1174.1-69176.6000113.3S131 H135S131-L133 PolarHBondContact O-N 3.02Å; L133-H135 PolarHBondContact O-N 2.92Å
134A43.4Very low41.7Very low81 Ų81143.1 Ų143.167%0.66975%0.753SS**THydrogen-bonded Turntrans-72.415.4-179.200000115.1M132 L136M132-A134 PolarHBondContact O-N 2.82Å; A134-L136 PolarHBondContact O-N 2.74Å
135H43Very low41Very low173 Ų173141.7 Ų141.780%0.80175%0.747SS**THydrogen-bonded Turntrans-74-14.7168.8-7464.9000112.3M132 L133 L137M132-H135 PolarHBondContact O-ND1 2.85Å; L133-H135 PolarHBondContact O-N 2.92Å; H135-L137 PolarHBondContact O-N 2.69Å
136L45.5Very low40.4Very low133 Ų133143.8 Ų143.870%0.69676%0.76SS**SBendtrans-86.390.7166.9-153.389.7000108A134 L138A134-L136 PolarHBondContact O-N 2.74Å; L136-L138 VanDerWaalsContact C-N 3.27Å; L136-L138 HydrophobicContact CD2-CD1 4.4Å; L136-L138 PolarHBondContact O-N 2.9Å
137L41.6Very low39.9Very low144 Ų144142.1 Ų142.175%0.75476%0.763SS**  trans-44.694.5161.3-84.8154.7000108.4H135 T139H135-L137 PolarHBondContact O-N 2.69Å; L137-T139 PolarHBondContact O-N 2.73Å
138L41Very low40Very low138 Ų138136.1 Ų136.172%0.72376%0.755SS**  trans-79.862.4179.5-16374.8000108.5L136 F140L136-L138 VanDerWaalsContact C-N 3.27Å; L136-L138 HydrophobicContact CD2-CD1 4.4Å; L136-L138 PolarHBondContact O-N 2.9Å; L138-F140 HydrophobicContact CD1-CD2 4.03Å; L138-F140 PolarHBondContact O-N 3.05Å
139T34.2Very low39.7Very low110 Ų110143.2 Ų143.268%0.67576%0.762SS**  trans-77.374.8164.253.40000107.4L137L137-T139 PolarHBondContact O-N 2.73Å
140F41.1Very low39.6Very low171 Ų171140.8 Ų140.875%0.7576%0.762SS**  trans-114.391.1170-87.7-84.1000110.1L138 H142L138-F140 HydrophobicContact CD1-CD2 4.03Å; L138-F140 PolarHBondContact O-N 3.05Å; F140-H142 PolarHBondContact O-N 3.12Å
141Q41Very low39.8Very low184 Ų184137.8 Ų137.886%0.8675%0.754SS**  trans-49.7120.2156-65.9-179-13.900108.1R143Q141-R143 PolarHBondContact O-N 2.9Å
142H37.6Very low39.8Very low184 Ų184137.4 Ų137.485%0.85275%0.751SS**  trans-57.488.6-174.2-178.2-85.7000112F140F140-H142 PolarHBondContact O-N 3.12Å
143R37.2Very low39.9Very low239 Ų239139 Ų13990%0.90275%0.754SS**  trans-102105162.2-98.9-99.9169.5146.4-5.2107.8Q141 G145Q141-R143 PolarHBondContact O-N 2.9Å; R143-G145 PolarHBondContact O-N 3.07Å
144A37.2Very low39.8Very low92 Ų92137.8 Ų137.876%0.7675%0.749SS**  trans-46.6124.2172.900000111.1
145G35Very low39.6Very low66 Ų66141.9 Ų141.968%0.6876%0.758SS**  trans144.490.5174.900000110.7R143R143-G145 PolarHBondContact O-N 3.07Å
146V36.3Very low39.5Very low132 Ų132138.1 Ų138.180%0.876%0.757SS**  trans164.6103.9133.3164.10000106.6S148V146-S148 PolarHBondContact O-N 2.78Å; V146-S148 VanDerWaalsContact O-N 3.12Å
147S35.5Very low39Very low96 Ų96140 Ų14067%0.67176%0.762SS**  trans-64.997.6166.4153.40000108.2Y149S147-Y149 PolarHBondContact O-N 3.16Å
148S40.5Very low38.6Very low94 Ų94139 Ų13966%0.65776%0.762SS**  trans-75.3119.5158.2-61.60000107.1V146 T150V146-S148 PolarHBondContact O-N 2.78Å; V146-S148 VanDerWaalsContact O-N 3.12Å; S148-T150 VanDerWaalsContact C-N 3.26Å; S148-T150 PolarHBondContact O-N 3.19Å
149Y35.9Very low38.9Very low218 Ų218137.4 Ų137.486%0.85576%0.762SS**  trans-49.991.6170.8-62.9-88.3000109.2S147 S151S147-Y149 PolarHBondContact O-N 3.16Å; Y149-S151 VanDerWaalsContact C-N 3.31Å; Y149-S151 PolarHBondContact O-N 3.2Å
150T39.8Very low39.1Very low129 Ų129138.3 Ų138.379%0.79177%0.767SS**  trans-66.2100.6171.754.60000105.4S148 S152S148-T150 VanDerWaalsContact C-N 3.26Å; S148-T150 PolarHBondContact O-N 3.19Å; T150-S152 PolarHBondContact O-N 3.04Å; T150-S152 VanDerWaalsContact O-N 3.14Å
151S42.7Very low39.1Very low101 Ų101139.3 Ų139.371%0.70677%0.771SS**  trans-38.6119.9162.1173.10000107.8Y149 F153Y149-S151 VanDerWaalsContact C-N 3.31Å; Y149-S151 PolarHBondContact O-N 3.2Å; S151-F153 PolarHBondContact O-N 2.79Å
152S39.8Very low39.3Very low75 Ų75133.7 Ų133.752%0.52476%0.762SS.*  trans-56.4107.7-177.3470000108.6T150 D154T150-S152 PolarHBondContact O-N 3.04Å; T150-S152 VanDerWaalsContact O-N 3.14Å; S152-D154 VanDerWaalsContact CB-OD1 3.29Å; S152-D154 WeakPolarHBondContact CB-OD1 3.08Å; S152-D154 PolarHBondContact O-N 2.81Å; S152-D154 PolarHBondContact OG-OD1 2.92Å; S152-D154 PolarHBondContact OG-OD2 3.36Å
153F45.5Very low39.6Very low203 Ų203133.9 Ų133.989%0.8976%0.761SS**  trans-68.378.4152.1-67-75.8000105.1S151 L155S151-F153 PolarHBondContact O-N 2.79Å; F153-L155 VanDerWaalsContact C-N 3.26Å; F153-L155 PolarHBondContact O-N 2.93Å
154D41.3Very low39.8Very low131 Ų131130.9 Ų130.970%0.70176%0.757SS**  trans-55.799.7173.2-71.1-47.4000105.7S152 A156S152-D154 VanDerWaalsContact CB-OD1 3.29Å; S152-D154 WeakPolarHBondContact CB-OD1 3.08Å; S152-D154 PolarHBondContact O-N 2.81Å; S152-D154 PolarHBondContact OG-OD1 2.92Å; S152-D154 PolarHBondContact OG-OD2 3.36Å; D154-A156 PolarHBondContact O-N 3.12Å
155L39.7Very low39.7Very low166 Ų166134.1 Ų134.187%0.86976%0.761SS**  trans-44.9117.4170.2-88.5161.4000105.7F153 Q157F153-L155 VanDerWaalsContact C-N 3.26Å; F153-L155 PolarHBondContact O-N 2.93Å; L155-Q157 PolarHBondContact O-N 2.84Å
156A41.8Very low40.1Very low94 Ų94139.8 Ų139.878%0.77778%0.775SS**  trans-43.3106.617900000107.7D154 T158D154-A156 PolarHBondContact O-N 3.12Å; A156-T158 PolarHBondContact O-N 2.75Å; A156-T158 VanDerWaalsContact O-N 3.17Å
157Q34.3Very low40.3Very low172 Ų172135.5 Ų135.580%0.80476%0.757SS**  trans-57.7129-175.5-158.7172.651.500105.7L155 C159L155-Q157 PolarHBondContact O-N 2.84Å; Q157-C159 VanDerWaalsContact C-N 3.28Å; Q157-C159 PolarHBondContact O-N 3.02Å; Q157-C159 PolarHBondContact O-SG 2.98Å; Q157-C159 VanDerWaalsContact O-SG 3.39Å
158T32.4Very low40.7Very low124 Ų124137.4 Ų137.476%0.76177%0.767SS**  trans-63.194.4-178.154.40000107.8A156 V160A156-T158 PolarHBondContact O-N 2.75Å; A156-T158 VanDerWaalsContact O-N 3.17Å; T158-V160 PolarHBondContact O-N 2.8Å
159C48.6Very low40.8Very low105 Ų105139.7 Ų139.771%0.70977%0.77SS**  trans-70.289.1174.2-62.80000107.2Q157 F161Q157-C159 VanDerWaalsContact C-N 3.28Å; Q157-C159 PolarHBondContact O-N 3.02Å; Q157-C159 PolarHBondContact O-SG 2.98Å; Q157-C159 VanDerWaalsContact O-SG 3.39Å; C159-F161 PolarHBondContact O-N 3.23Å
160V38.9Very low40.6Very low128 Ų128137.5 Ų137.578%0.77677%0.773SS**  trans-60.3111.7161-170.80000104.5T158 G162T158-V160 PolarHBondContact O-N 2.8Å; V160-G162 PolarHBondContact O-N 3.03Å
161F40.3Very low40.4Very low192 Ų192136.3 Ų136.384%0.84277%0.768SS**  trans-56.592.4174.9-71.8-84.1000108.5C159 K163C159-F161 PolarHBondContact O-N 3.23Å; F161-K163 VanDerWaalsContact C-N 3.28Å; F161-K163 PolarHBondContact O-N 2.81Å
162G45.3Very low39.8Very low66 Ų66134.4 Ų134.468%0.6877%0.765SS**  trans-61.299.7161.400000105.5V160 Q164V160-G162 PolarHBondContact O-N 3.03Å; G162-Q164 PolarHBondContact O-N 3.11Å
163K43.6Very low39.6Very low188 Ų188136 Ų13682%0.81778%0.775SS**SBendtrans-66.468.5175.2-70.9-171.3177.2-178.10109.3F161F161-K163 VanDerWaalsContact C-N 3.28Å; F161-K163 PolarHBondContact O-N 2.81Å
164Q41.3Very low39Very low177 Ų177135 Ų13583%0.82778%0.778SS**  trans177.176.7171.5-99.6148.121.200110.7G162G162-Q164 PolarHBondContact O-N 3.11Å
165L35.6Very low38.8Very low159 Ų159134.1 Ų134.183%0.83278%0.782SS**  trans-123.788.8138.4-77.2178.4000107.3G167L165-G167 PolarHBondContact O-N 2.84Å; L165-G167 VanDerWaalsContact O-N 3.12Å
166L42.2Very low38.7Very low186 Ų186129.7 Ų129.797%0.97478%0.776SS**  trans-76.278.5162.5-173.870.2000106.6
167G42.1Very low38.1Very low42 Ų42129.4 Ų129.443%0.43377%0.773SS.*SBendtrans-161.9121.5179.300000110.3L165 I169L165-G167 PolarHBondContact O-N 2.84Å; L165-G167 VanDerWaalsContact O-N 3.12Å; G167-I169 PolarHBondContact O-N 3.17Å
168P43.1Very low38.3Very low135 Ų135126.5 Ų126.588%0.87777%0.77SS**  trans-71.998.8-177.427.5-30.2000109.3L170P168-L170 VanDerWaalsContact C-N 3.29Å; P168-L170 PolarHBondContact O-N 3.39Å
169I41.7Very low38.7Very low142 Ų142128 Ų12873%0.72877%0.772SS**  trans-76.793169.2-56.8176.9000106.8G167 C171G167-I169 PolarHBondContact O-N 3.17Å; I169-C171 VanDerWaalsContact C-N 3.27Å; I169-C171 HydrophobicContact CG2-CB 4.32Å; I169-C171 PolarHBondContact O-N 2.77Å
170L32.5Very low38.6Very low173 Ų173129.1 Ų129.191%0.90677%0.77SS**  trans-63.285.8164.6-161.696.7000108.1P168P168-L170 VanDerWaalsContact C-N 3.29Å; P168-L170 PolarHBondContact O-N 3.39Å
171C36.1Very low38.6Very low104 Ų104128 Ų12870%0.70377%0.766SS**  trans-111.895167.2-162.40000108.2I169 S173I169-C171 VanDerWaalsContact C-N 3.27Å; I169-C171 HydrophobicContact CG2-CB 4.32Å; I169-C171 PolarHBondContact O-N 2.77Å; C171-S173 PolarHBondContact O-N 2.99Å
172G29Very low38.5Very low61 Ų61128.3 Ų128.363%0.62977%0.767SS**  trans-64.8121.716700000109.7
173S35.5Very low38Very low107 Ų107131.8 Ų131.875%0.74877%0.769SS**  trans-15280.9152.3-77.60000106.2C171 S175C171-S173 PolarHBondContact O-N 2.99Å; S173-S175 PolarHBondContact O-N 3Å
174I34.5Very low37.9Very low184 Ų184133.8 Ų133.894%0.94477%0.772SS**  trans-74.175.4172.7-21.9170.1000106
175S36.8Very low37.7Very low112 Ų112128.2 Ų128.278%0.78376%0.761SS**  trans-129.7101176.2-177.70000108.4S173S173-S175 PolarHBondContact O-N 3Å
176G36.5Very low38Very low72 Ų72129.1 Ų129.174%0.74276%0.761SS**  trans64.472.1164.200000115.2P178G176-P178 WeakPolarHBondContact O-CD 3.15Å
177A29.1Very low37.7Very low88 Ų88129.9 Ų129.973%0.72776%0.757SS**  trans-91.6105.2159.100000108.9L179A177-L179 PolarHBondContact O-N 2.97Å
178P40Very low37.6Very low112 Ų112132.3 Ų132.373%0.72777%0.773SS**  trans-60.7108.3157-15.628.3000107.5G176 L180G176-P178 WeakPolarHBondContact O-CD 3.15Å; P178-L180 PolarHBondContact O-N 3.02Å
179L41.2Very low37.2Very low156 Ų156134.5 Ų134.582%0.81777%0.772SS**  trans-61.882.5167-65.6167.5000108.3A177 P181A177-L179 PolarHBondContact O-N 2.97Å; L179-P181 WeakPolarHBondContact O-CD 3.08Å
180L45.7Very low37Very low127 Ų127135.7 Ų135.767%0.66577%0.772SS**  trans-107.578.3163-68.4-178000108.7P178 K182 L183P178-L180 PolarHBondContact O-N 3.02Å; L180-K182 PolarHBondContact O-N 3.14Å; L180-L183 HydrophobicContact CD1-CD1 4.03Å
181P39.7Very low37.2Very low104 Ų104135.7 Ų135.768%0.67577%0.772SS**THydrogen-bonded Turntrans-60122.4168.825.9-31.3000108.4L179L179-P181 WeakPolarHBondContact O-CD 3.08Å
182K37.1Very low37.4Very low199 Ų199136.4 Ų136.487%0.86577%0.769SS**THydrogen-bonded Turntrans77.635162.4-49.5169.2178.21740117.5L180 R184L180-K182 PolarHBondContact O-N 3.14Å; K182-R184 PolarHBondContact O-N 3.22Å
183L35.4Very low38.1Very low140 Ų140140.1 Ų140.173%0.73377%0.774SS**  trans-71.6101155.8-91.9170.7000108.8L180 G185L180-L183 HydrophobicContact CD1-CD1 4.03Å; L183-G185 PolarHBondContact O-N 3.08Å
184R40Very low38.4Very low230 Ų230140.9 Ų140.987%0.86878%0.777SS**  trans-56.991.8157.5-73.9176.9170.5-129.9-3106.7K182 Q186K182-R184 PolarHBondContact O-N 3.22Å; R184-Q186 PolarHBondContact O-N 2.96Å
185G37.2Very low38.8Very low59 Ų59136.2 Ų136.261%0.60876%0.76SS**  trans-68.184.9170.700000108.6L183 F187L183-G185 PolarHBondContact O-N 3.08Å; G185-F187 VanDerWaalsContact C-N 3.28Å; G185-F187 PolarHBondContact O-N 2.78Å; G185-F187 VanDerWaalsContact O-N 3.09Å
186Q42Very low38.9Very low178 Ų178137 Ų13783%0.83276%0.762SS**  trans-65.8101.8152.8-70.8-178.8-13.700104.8R184 A188R184-Q186 PolarHBondContact O-N 2.96Å; Q186-A188 VanDerWaalsContact C-N 3.28Å; Q186-A188 PolarHBondContact O-N 3.39Å
187F36.3Very low39Very low202 Ų202138.5 Ų138.589%0.88676%0.757SS**  trans-59.299.3165.3-79.7-92.1000106.6G185 E189G185-F187 VanDerWaalsContact C-N 3.28Å; G185-F187 PolarHBondContact O-N 2.78Å; G185-F187 VanDerWaalsContact O-N 3.09Å; F187-E189 PolarHBondContact O-N 2.81Å; F187-E189 VanDerWaalsContact O-N 3.13Å
188A39.6Very low39.6Very low93 Ų93137.6 Ų137.677%0.76976%0.756SS**  trans-74.491.6153.300000104.4Q186 F190Q186-A188 VanDerWaalsContact C-N 3.28Å; Q186-A188 PolarHBondContact O-N 3.39Å; A188-F190 PolarHBondContact O-N 3.28Å; A188-F190 VanDerWaalsContact O-N 3.16Å
189E36.3Very low39.5Very low182 Ų182139.3 Ų139.385%0.8576%0.758SS**  trans-53.2124.2172-155169.2-15800107.3F187 L191F187-E189 PolarHBondContact O-N 2.81Å; F187-E189 VanDerWaalsContact O-N 3.13Å; E189-L191 PolarHBondContact O-N 2.95Å
190F37Very low39.4Very low166 Ų166141.2 Ų141.273%0.72876%0.755SS**  trans-42.9120.1-172-119.6-97.1000110.9A188 N192A188-F190 PolarHBondContact O-N 3.28Å; A188-F190 VanDerWaalsContact O-N 3.16Å; F190-N192 HydrophobicContact CB-CB 4.46Å; F190-N192 HydrophobicContact CD1-CB 4.22Å; F190-N192 WeakPolarHBondContact CD1-ND2 3.35Å; F190-N192 WeakPolarHBondContact CD1-OD1 3.2Å; F190-N192 WeakPolarHBondContact CE1-OD1 3.28Å; F190-N192 PolarHBondContact O-N 3.15Å
191L37.3Very low39.4Very low173 Ų173141 Ų14191%0.90675%0.753SS**  trans-70.467.1158.3-67.5176.7000107.9E189 N193E189-L191 PolarHBondContact O-N 2.95Å; L191-N193 PolarHBondContact O-N 2.94Å
192N39.8Very low39.4Very low119 Ų119143.1 Ų143.164%0.63675%0.752SS**  trans-79.476.3165.5-90.7-27.6000107.8F190F190-N192 HydrophobicContact CB-CB 4.46Å; F190-N192 HydrophobicContact CD1-CB 4.22Å; F190-N192 WeakPolarHBondContact CD1-ND2 3.35Å; F190-N192 WeakPolarHBondContact CD1-OD1 3.2Å; F190-N192 WeakPolarHBondContact CE1-OD1 3.28Å; F190-N192 PolarHBondContact O-N 3.15Å
193N42.8Very low39.7Very low140 Ų140141.7 Ų141.775%0.74975%0.746SS**  trans-156.5119135.9-111.1-29000108.5L191 S195L191-N193 PolarHBondContact O-N 2.94Å; N193-S195 PolarHBondContact O-N 3Å
194P42.7Very low39.8Very low123 Ų123142 Ų14280%0.79975%0.747SS**  trans-71.181.4171.330.9-31.5000107.3P196P194-P196 WeakPolarHBondContact O-CD 3.36Å
195S41.6Very low40Very low86 Ų86136.4 Ų136.460%0.60174%0.741SS**  trans-80.4111.4165.8-176.10000106.6N193 V197N193-S195 PolarHBondContact O-N 3Å; S195-V197 PolarHBondContact O-N 3.45Å
196P39.6Very low40.2Very low127 Ų127139 Ų13983%0.82575%0.746SS**  trans-76.152.1174.735.5-36000109.3P194 G198P194-P196 WeakPolarHBondContact O-CD 3.36Å; P196-G198 PolarHBondContact O-N 2.96Å
197V38.8Very low40.3Very low105 Ų105137 Ų13764%0.63675%0.75SS**  trans-76.182.4160169.20000104.8S195 L199S195-V197 PolarHBondContact O-N 3.45Å; V197-L199 VanDerWaalsContact C-N 3.29Å; V197-L199 PolarHBondContact O-N 2.63Å
198G41.2Very low40.5Very low68 Ų68133.4 Ų133.470%0.70174%0.744SS**  trans-54.399.8169.100000107.1P196 R200P196-G198 PolarHBondContact O-N 2.96Å; G198-R200 PolarHBondContact O-N 3.14Å
199L39.2Very low40.6Very low148 Ų148132 Ų13278%0.77574%0.738SS**  trans-51.8112.2174.1-67.4175.8000106.1V197 I201V197-L199 VanDerWaalsContact C-N 3.29Å; V197-L199 PolarHBondContact O-N 2.63Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 2.88Å
200R39.1Very low40.4Very low197 Ų197131.9 Ų131.974%0.74374%0.743SS**  trans-49.593.9176.5-179.5178158.5-169.3-4.9107.4G198 F202G198-R200 PolarHBondContact O-N 3.14Å; R200-F202 VanDerWaalsContact C-N 3.31Å; R200-F202 WeakPolarHBondContact O-CD2 3.19Å; R200-F202 PolarHBondContact O-N 3.22Å
201I44.7Very low40.4Very low123 Ų123135.2 Ų135.263%0.63175%0.75SS**  trans-63104.1172.6-68.3170.3000104L199 F203L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 2.88Å; I201-F203 HydrophobicContact CB-CD2 4.45Å; I201-F203 HydrophobicContact CB-CE2 4.1Å; I201-F203 HydrophobicContact CB-CZ 4.49Å; I201-F203 HydrophobicContact CG2-CD1 4.34Å; I201-F203 HydrophobicContact CG2-CD2 4.03Å; I201-F203 HydrophobicContact CG2-CE1 4.15Å; I201-F203 HydrophobicContact CG2-CE2 3.82Å; I201-F203 HydrophobicContact CG2-CG 4.29Å; I201-F203 HydrophobicContact CG2-CZ 3.88Å; I201-F203 WeakPolarHBondContact O-CD2 3.16Å; I201-F203 PolarHBondContact O-N 2.9Å
202F39.5Very low40.2Very low147 Ų147138.5 Ų138.565%0.64575%0.752SS**  trans-62.485.2166.7-74.4-87.3000106.2R200 L204R200-F202 VanDerWaalsContact C-N 3.31Å; R200-F202 WeakPolarHBondContact O-CD2 3.19Å; R200-F202 PolarHBondContact O-N 3.22Å; F202-L204 HydrophobicContact CB-CD1 4.2Å; F202-L204 PolarHBondContact O-N 2.73Å
203F43.5Very low40.1Very low170 Ų170136 Ų13675%0.74676%0.755SS**  trans-61.691154.6-65.1-79.5000104.4I201 P205I201-F203 HydrophobicContact CB-CD2 4.45Å; I201-F203 HydrophobicContact CB-CE2 4.1Å; I201-F203 HydrophobicContact CB-CZ 4.49Å; I201-F203 HydrophobicContact CG2-CD1 4.34Å; I201-F203 HydrophobicContact CG2-CD2 4.03Å; I201-F203 HydrophobicContact CG2-CE1 4.15Å; I201-F203 HydrophobicContact CG2-CE2 3.82Å; I201-F203 HydrophobicContact CG2-CG 4.29Å; I201-F203 HydrophobicContact CG2-CZ 3.88Å; I201-F203 WeakPolarHBondContact O-CD2 3.16Å; I201-F203 PolarHBondContact O-N 2.9Å; F203-P205 VanDerWaalsContact C-N 3.3Å; F203-P205 WeakPolarHBondContact O-CD 3.29Å
204L38Very low39.8Very low145 Ų145138 Ų13876%0.75976%0.759SS**  trans-55.3105.3155.1-90.881000103.5F202 T206F202-L204 HydrophobicContact CB-CD1 4.2Å; F202-L204 PolarHBondContact O-N 2.73Å; L204-T206 PolarHBondContact O-N 3.05Å
205P43.8Very low39.5Very low113 Ų113138.9 Ų138.973%0.73476%0.757SS**  trans-67.5114.2169.14.314.4000102.5F203 C207F203-P205 VanDerWaalsContact C-N 3.3Å; F203-P205 WeakPolarHBondContact O-CD 3.29Å; P205-C207 PolarHBondContact O-N 2.76Å
206T41.8Very low39.3Very low115 Ų115144.2 Ų144.271%0.70676%0.764SS**  trans-39133.6161.844.50000107.7L204 V208L204-T206 PolarHBondContact O-N 3.05Å; T206-V208 PolarHBondContact O-N 3.47Å
207C44Very low39.2Very low136 Ų136143.5 Ų143.592%0.91975%0.753SS**SBendtrans-64.139.4-168.241.70000115P205P205-C207 PolarHBondContact O-N 2.76Å
208V41.1Very low38.8Very low126 Ų126143.2 Ų143.276%0.76475%0.751SS**  trans-107.193.9179.8-170.10000107.4T206T206-V208 PolarHBondContact O-N 3.47Å
209G40.6Very low38.4Very low63 Ų63146.6 Ų146.665%0.64975%0.749SS**  trans1.4121.2174.800000120R211G209-R211 VanDerWaalsContact C-N 3.27Å; G209-R211 PolarHBondContact O-N 2.98Å
210L32.3Very low37.9Very low180 Ų180145 Ų14594%0.94275%0.75SS**  trans-54.189150.2-75.7170.7000109.6
211R37.1Very low37.7Very low236 Ų236145 Ų14589%0.89176%0.756SS**  trans-93.5113.7161-69.3-156.3-174.8-151.24.9107.8G209G209-R211 VanDerWaalsContact C-N 3.27Å; G209-R211 PolarHBondContact O-N 2.98Å
212Y32.8Very low37.1Very low241 Ų241144.6 Ų144.695%0.94576%0.764SS**  trans-21.5140.3172.9-65-90.8000117.3
213G37.5Very low36.7Very low68 Ų68148.5 Ų148.570%0.70177%0.774SS**  trans15975.9160.300000113.9L215G213-L215 PolarHBondContact O-N 3.39Å
214H36.4Very low36.1Very low180 Ų180148.7 Ų148.783%0.83378%0.777SS**  trans-71.280.4164.7174.3-110.5000108.8R216H214-R216 PolarHBondContact O-N 3.42Å
215L38.1Very low36.1Very low142 Ų142148.9 Ų148.974%0.74378%0.778SS**  trans-84.4100.7168-91.4162.3000108.3G213 N217G213-L215 PolarHBondContact O-N 3.39Å; L215-N217 PolarHBondContact O-N 2.85Å
216R36.2Very low35.7Very low198 Ų198148.7 Ų148.775%0.74778%0.777SS**  trans-62.780.7166.5-177.8-179.3175.5-117.33.7108.6H214 T218H214-R216 PolarHBondContact O-N 3.42Å; R216-T218 PolarHBondContact O-N 2.99Å; R216-T218 VanDerWaalsContact O-N 3.11Å
217N38.4Very low35.5Very low113 Ų113148 Ų14860%0.60478%0.777SS**  trans-8096.5176.1-91.7-4000109.7L215 H219L215-N217 PolarHBondContact O-N 2.85Å; N217-H219 PolarHBondContact O-N 3.25Å
218T30.3Very low35.2Very low98 Ų98149.8 Ų149.860%0.60177%0.771SS**  trans-67.276.6162.850.30000109.2R216R216-T218 PolarHBondContact O-N 2.99Å; R216-T218 VanDerWaalsContact O-N 3.11Å
219H32.4Very low35Very low140 Ų140149.2 Ų149.265%0.64877%0.769SS**  trans-112.996165.9-70.3-62.7000108.5N217 F221N217-H219 PolarHBondContact O-N 3.25Å; H219-F221 PolarHBondContact O-N 3.36Å; H219-F221 VanDerWaalsContact O-N 3.08Å
220S28.9Very low35.1Very low115 Ų115150.8 Ų150.880%0.80477%0.77SS**  trans-42.5108.2165.5-28.40000109.3S222S220-S222 VanDerWaalsContact C-N 3.31Å; S220-S222 PolarHBondContact O-N 3.12Å
221F34.6Very low35.4Very low196 Ų196146.8 Ų146.886%0.8675%0.753SS**  trans-69.196.8165.4-77.5-81.5000107.4H219 R223H219-F221 PolarHBondContact O-N 3.36Å; H219-F221 VanDerWaalsContact O-N 3.08Å; F221-R223 VanDerWaalsContact C-N 3.27Å; F221-R223 PolarHBondContact O-N 3.46Å
222S31.4Very low35.5Very low114 Ų114141.8 Ų141.880%0.79774%0.743SS**  trans-61.491.8165.9-175.70000107.9S220 H224S220-S222 VanDerWaalsContact C-N 3.31Å; S220-S222 PolarHBondContact O-N 3.12Å; S222-H224 PolarHBondContact O-N 2.82Å
223R31.7Very low36.1Very low229 Ų229134.9 Ų134.986%0.86473%0.726SS**  trans-80.998168.7-132.9-172.3-58.7-109.41.3105.8F221 L225F221-R223 VanDerWaalsContact C-N 3.27Å; F221-R223 PolarHBondContact O-N 3.46Å; R223-L225 PolarHBondContact O-N 3.23Å
224H30.7Very low36.5Very low175 Ų175135.5 Ų135.581%0.8172%0.72SS**  trans-48.9108.1171.8-148.6-61.8000108.4S222 P226S222-H224 PolarHBondContact O-N 2.82Å; H224-P226 WeakPolarHBondContact O-CD 3.45Å
225L37.6Very low36.8Very low149 Ų149132.4 Ų132.478%0.7871%0.709SS**  trans-68.9124.2174.8-16972.1000107R223 S227R223-L225 PolarHBondContact O-N 3.23Å; L225-S227 PolarHBondContact O-N 3.15Å
226P35.7Very low37.2Very low108 Ų108130.7 Ų130.770%0.70170%0.7SS**  trans-64127.4174.223.2-28.8000109H224 Q228H224-P226 WeakPolarHBondContact O-CD 3.45Å; P226-Q228 PolarHBondContact O-N 3.31Å; P226-Q228 VanDerWaalsContact O-N 3.15Å
227S37.1Very low37.5Very low101 Ų101127.3 Ų127.371%0.70670%0.696SS**  trans-47.9113.9179.552.70000111.7L225 T229L225-S227 PolarHBondContact O-N 3.15Å; S227-T229 PolarHBondContact O-N 3.06Å
228Q38Very low37.6Very low173 Ų173130.9 Ų130.981%0.80870%0.703SS**  trans-81.434.1-179.9-146.8-172.418.100112.3P226P226-Q228 PolarHBondContact O-N 3.31Å; P226-Q228 VanDerWaalsContact O-N 3.15Å
229T37.5Very low37.9Very low115 Ų115136.4 Ų136.471%0.70671%0.712SS**  trans-98.42.9-163.9-15.50000115.3S227S227-T229 PolarHBondContact O-N 3.06Å
230S41.7Very low38.6Very low96 Ų96136.2 Ų136.267%0.67172%0.716SS**SBendtrans-104-13.1-177.758.50000115.8
231V39.2Very low39.3Very low96 Ų96137.7 Ų137.758%0.58271%0.71SS**SBendtrans-96.8-25.8-171.5-170.70000113.2S234V231-S234 PolarHBondContact O-OG 3.33Å
232L38.7Very low39.5Very low130 Ų130136.5 Ų136.568%0.68171%0.707SS**Hα-helixtrans-75.7-31.9-178-76.8170.6000113.4S234 L235L232-S234 VanDerWaalsContact C-N 3.32Å; L232-S234 PolarHBondContact O-N 3.36Å; L232-L235 PolarHBondContact O-N 3.45Å
233T46.2Very low40.1Very low97 Ų97136.8 Ų136.860%0.59571%0.706SS**Hα-helixtrans-71.1-22.5179.8180000113.9
234S45.6Very low40.7Very low81 Ų81130.5 Ų130.557%0.56670%0.703SS**Hα-helixtrans-78.3-22.9177.473.10000113.4V231 L232V231-S234 PolarHBondContact O-OG 3.33Å; L232-S234 VanDerWaalsContact C-N 3.32Å; L232-S234 PolarHBondContact O-N 3.36Å
235L42.6Very low41.1Very low115 Ų115130.1 Ų130.160%0.60271%0.706SS**Hα-helixtrans-81.3-35.5-179.2-100.4156.5000112.8L232 L237 Y238 R239L232-L235 PolarHBondContact O-N 3.45Å; L235-L237 VanDerWaalsContact C-N 3.34Å; L235-L237 PolarHBondContact O-N 3.34Å; L235-Y238 PolarHBondContact O-N 3.38Å; L235-R239 PolarHBondContact O-N 3.37Å
236D45.9Very low41.3Very low105 Ų105134 Ų13456%0.56171%0.711SS**Hα-helixtrans-70.3-28.7-179.7-77.2-27000113.3N240D236-N240 PolarHBondContact O-ND2 2.89Å
237L42.4Very low41.6Very low128 Ų128136.5 Ų136.567%0.6772%0.717SS**Hα-helixtrans-73.6-27176.5-107.6145.3000113.1L235L235-L237 VanDerWaalsContact C-N 3.34Å; L235-L237 PolarHBondContact O-N 3.34Å
238Y40.5Very low41.9Very low188 Ų188139.8 Ų139.874%0.73772%0.722SS**Hα-helixtrans-82.9-27.3179-159.9-102.4000112.7L235 N240L235-Y238 PolarHBondContact O-N 3.38Å; Y238-N240 VanDerWaalsContact C-N 3.3Å; Y238-N240 PolarHBondContact O-N 3.37Å
239R38.2Very low41.9Very low213 Ų213140 Ų14080%0.80473%0.725SS**Hα-helixtrans-74.6-17.5-176.3-150.4178.2-168-177.33.1114.2L235L235-R239 PolarHBondContact O-N 3.37Å
240N46Very low41.9Very low137 Ų137139.9 Ų139.973%0.73373%0.727SS**THydrogen-bonded Turntrans-96.65.9-172.9-71.3-54.2000115.3D236 Y238D236-N240 PolarHBondContact O-ND2 2.89Å; Y238-N240 VanDerWaalsContact C-N 3.3Å; Y238-N240 PolarHBondContact O-N 3.37Å
241Q43.7Very low42Very low145 Ų145141.2 Ų141.268%0.67873%0.734SS**SBendtrans-1011.7-176.6-74.3-173.13700116.2P243Q241-P243 WeakPolarHBondContact O-CD 3.34Å
242H39.4Very low41.7Very low172 Ų172143.2 Ų143.280%0.79675%0.75SS**  trans-109.7102174.4-92-85.3000112A244H242-A244 PolarHBondContact O-N 3.16Å; H242-A244 VanDerWaalsContact O-N 3.16Å
243P42.8Very low41.8Very low119 Ų119145.1 Ų145.177%0.77379%0.785SS**  trans-65.2114.4170.724.6-30.2000109.3Q241 L245Q241-P243 WeakPolarHBondContact O-CD 3.34Å; P243-L245 PolarHBondContact O-N 2.97Å
244A44.5Very low41.6Very low98 Ų98147.6 Ų147.681%0.8179%0.794SS**  trans-63.6120.1176.300000110H242 R246H242-A244 PolarHBondContact O-N 3.16Å; H242-A244 VanDerWaalsContact O-N 3.16Å; A244-R246 PolarHBondContact O-N 3.13Å; A244-R246 VanDerWaalsContact O-N 3.13Å
245L40.1Very low41.4Very low167 Ų167151.1 Ų151.187%0.87481%0.806SS**  trans-58.4115.2172.4-82.5160.9000109.4P243 L247P243-L245 PolarHBondContact O-N 2.97Å; L245-L247 PolarHBondContact O-N 3.26Å
246R40.6Very low41.3Very low230 Ų230153.1 Ų153.187%0.86882%0.818SS**  trans-6691.5-178.7-161.2-173.9-168.7-173.14109.6A244 Q248A244-R246 PolarHBondContact O-N 3.13Å; A244-R246 VanDerWaalsContact O-N 3.13Å; R246-Q248 PolarHBondContact O-N 3.32Å
247L42.5Very low41Very low160 Ų160155.9 Ų155.984%0.83883%0.833SS**  trans-74.794.6169.2-72174.1000108.6L245 M249L245-L247 PolarHBondContact O-N 3.26Å; L247-M249 PolarHBondContact O-N 3.38Å
248Q43.8Very low40.9Very low171 Ų171157.6 Ų157.680%0.79984%0.843SS**  trans-68.892.9176.2-164.7172.3300108.7R246 C250R246-Q248 PolarHBondContact O-N 3.32Å; Q248-C250 PolarHBondContact O-N 3.36Å
249M38.5Very low41Very low178 Ų178155.6 Ų155.688%0.87785%0.85SS**PPolyproline II helixtrans-69.5118.9172.7-73.9174.981.200109.2L247L247-M249 PolarHBondContact O-N 3.38Å
250C36.7Very low41.2Very low112 Ų112151.5 Ų151.576%0.75785%0.853SS**PPolyproline II helixtrans-65.2135.4176.2-65.90000110.9Q248 C252Q248-C250 PolarHBondContact O-N 3.36Å; C250-C252 PolarHBondContact O-N 3.04Å
251P44.1Very low40.8Very low124 Ų124152.6 Ų152.681%0.80586%0.863SS**PPolyproline II helixtrans-71.6123.2178.728.6-32000109.9A253P251-A253 PolarHBondContact O-N 3.05Å
252C33.9Very low40.5Very low137 Ų137153.3 Ų153.393%0.92688%0.878SS**  trans-71.7110.9165-620000107.7C250C250-C252 PolarHBondContact O-N 3.04Å
253A39.6Very low40.6Very low171 Ų171151.5 Ų151.5100%1.41389%0.885SS**  trans-139.80161.500000107.6P251P251-A253 PolarHBondContact O-N 3.05Å

Retrieved 253 of 253 residues in 677.2 ms (Link to these results)