A0A3Q0KR07_SCHMA Loading...

Nuclear receptor coactivator 2 (NCoA-2) (Transcriptional intermediary factor 2) (XTIF2), putative

AlphaFold DB , UniProt , Accession A0A3Q0KR07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 375 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
1M40.6Very low40.3Very low249 Ų249144.5 Ų144.5100%1.22783%0.831SS**  0158.80-71.1172173.700107.9
2T38.1Very low40.4Very low151 Ų151146.7 Ų146.793%0.92683%0.825SS**  trans-68.4165.2-16930.60000114.4
3A37.5Very low40.3Very low95 Ų95149.8 Ų149.879%0.78583%0.828SS**  trans-101.6176.8-171.300000114.2
4S35.9Very low40.1Very low118 Ų118145.9 Ų145.983%0.82582%0.817SS**  trans87.3114.6168.7-57.20000118.6
5P48.3Very low40Very low129 Ų129147.5 Ų147.584%0.83882%0.821SS**  trans-117.4119.914732.9-19.8000111.5
6E34.3Very low40.3Very low182 Ų182144.3 Ų144.385%0.8581%0.808SS**  trans-79.1176.2152.2-71.1178.48000109.8
7Q37.9Very low40.3Very low177 Ų177146.6 Ų146.683%0.82781%0.811SS**  trans73.4143.2173.2-56.2-161.2-16.800115.4
8V45.2Very low40.4Very low113 Ų113143.7 Ų143.769%0.68580%0.803SS**  cis-153.9119-10.2-107.90000106.3
9D41.7Very low40.8Very low155 Ų155143.9 Ų143.983%0.82980%0.797SS**  trans-101.191.3162.8-152.1-55.8000108.5S11D9-S11 PolarHBondContact OD1-OG 3.18Å
10N42.9Very low41.5Very low113 Ų113142.3 Ų142.360%0.60479%0.791SS**  trans-127.771.7-173.9-161.662.8000108.6F12N10-F12 WeakPolarHBondContact ND2-CD2 3.46Å
11S41.1Very low41.7Very low107 Ų107143.2 Ų143.275%0.74879%0.789SS**  trans-11687.9178.3-51.20000107.6D9D9-S11 PolarHBondContact OD1-OG 3.18Å
12F41.2Very low42.1Very low171 Ų171139 Ų13975%0.7576%0.764SS**  62.461.150.9-102.9-84.1000114.9N10N10-F12 WeakPolarHBondContact ND2-CD2 3.46Å
13Q39.7Very low42.7Very low187 Ų187141.1 Ų141.187%0.87476%0.755SS**  trans-127.4113.1142.5-67.7-177.332.900106.8
14S37.6Very low43.5Very low95 Ų95141 Ų14166%0.66475%0.749SS**  cis90.377.44677.50000115
15I38Very low44.3Very low171 Ų171136.9 Ų136.988%0.87773%0.725SS**  trans-147.4159.6134.18.5178.1000108.2
16P45.3Very low44.4Very low95 Ų95136 Ų13662%0.61771%0.713SS**  -128.5174.6-113.239.2-21.8000116.2
17E39.2Very low45.5Very low185 Ų185134.1 Ų134.186%0.86471%0.708SS**  trans46.181144.8-67172.1124.800118.9
18S43.5Very low46.4Very low94 Ų94128.6 Ų128.666%0.65769%0.693SS**  trans-145.849.1145.141.60000111.2T20S18-T20 VanDerWaalsContact C-N 3.26Å; S18-T20 PolarHBondContact O-N 3.5Å
19E47.5Very low46.8Very low147 Ų147127.9 Ų127.969%0.68768%0.684SS**THydrogen-bonded Turntrans-78.558.5-176.1-160.7-168.7152.500113R23E19-R23 IonicContact OE1-NE 3.92Å
20T54.7Low47.7Very low111 Ų111124.1 Ų124.168%0.68167%0.67SS**THydrogen-bonded Turntrans-125.6-36.7173.151.10000113.9S18S18-T20 VanDerWaalsContact C-N 3.26Å; S18-T20 PolarHBondContact O-N 3.5Å
21H45.9Very low48.5Very low162 Ų162124.7 Ų124.775%0.7567%0.669SS**SBendtrans-82.1-34.6178-73.6-76.5000113.8R23 S24 G25H21-R23 VanDerWaalsContact C-N 3.35Å; H21-R23 PolarHBondContact O-N 3.37Å; H21-S24 PolarHBondContact O-N 3.3Å; H21-G25 PolarHBondContact O-N 3.41Å
22F49Very low49.8Very low161 Ų161124.2 Ų124.271%0.70666%0.657SS**Hα-helixtrans-68.5-27.2-173.9-78.9-83.1000114.7G25 N26F22-G25 PolarHBondContact O-N 3.45Å; F22-N26 PolarHBondContact O-N 3.28Å
23R51Low51.2Low196 Ų196120.8 Ų120.874%0.7465%0.647SS**Hα-helixtrans-74.5-27.7-179.3-119.5175.9-179.5-85.7-0.3113.7E19 H21E19-R23 IonicContact OE1-NE 3.92Å; H21-R23 VanDerWaalsContact C-N 3.35Å; H21-R23 PolarHBondContact O-N 3.37Å
24S53.6Low52.7Low93 Ų93117.3 Ų117.365%0.6563%0.634SS**Hα-helixtrans-79.4-35.9172.4-173.20000111.7H21 L27 A28H21-S24 PolarHBondContact O-N 3.3Å; S24-L27 PolarHBondContact O-N 3.43Å; S24-A28 PolarHBondContact O-N 3.12Å
25G52Low54.4Low31 Ų31116.1 Ų116.132%0.3262%0.623SS.*Hα-helixtrans-60.4-46.2179.200000113.3H21 F22 L27 A28 L29H21-G25 PolarHBondContact O-N 3.41Å; F22-G25 PolarHBondContact O-N 3.45Å; G25-L27 VanDerWaalsContact C-N 3.33Å; G25-L27 PolarHBondContact O-N 3.41Å; G25-A28 PolarHBondContact O-N 3.29Å; G25-A28 VanDerWaalsContact O-N 3.15Å; G25-L29 WeakPolarHBondContact O-CG 3.27Å; G25-L29 PolarHBondContact O-N 3.24Å
26N52.2Low56.1Low109 Ų109112.5 Ų112.558%0.58360%0.604SS**Hα-helixtrans-61.9-36.1-179.5-88.1-24.8000113.5F22 A28 L29 S30F22-N26 PolarHBondContact O-N 3.28Å; N26-A28 VanDerWaalsContact C-N 3.32Å; N26-A28 PolarHBondContact O-N 3.19Å; N26-L29 PolarHBondContact O-N 3.43Å; N26-S30 PolarHBondContact O-N 2.97Å; N26-S30 PolarHBondContact O-OG 3.38Å
27L56.4Low57.4Low144 Ų144113.2 Ų113.275%0.75460%0.603SS**Hα-helixtrans-69.2-32.7177.6-153.281.2000112.2S24 G25S24-L27 PolarHBondContact O-N 3.43Å; G25-L27 VanDerWaalsContact C-N 3.33Å; G25-L27 PolarHBondContact O-N 3.41Å
28A56Low59Low61 Ų61108.1 Ų108.150%0.50459%0.588SS.*Hα-helixtrans-73.4-36.817400000112.2S24 G25 N26S24-A28 PolarHBondContact O-N 3.12Å; G25-A28 PolarHBondContact O-N 3.29Å; G25-A28 VanDerWaalsContact O-N 3.15Å; N26-A28 VanDerWaalsContact C-N 3.32Å; N26-A28 PolarHBondContact O-N 3.19Å
29L54.4Low60.4Low98 Ų98107.8 Ų107.851%0.51358%0.582SS.*Hα-helixtrans-67.8-43.7177.3-69.7174.9000112G25 N26 H31 L32 D33G25-L29 WeakPolarHBondContact O-CG 3.27Å; G25-L29 PolarHBondContact O-N 3.24Å; N26-L29 PolarHBondContact O-N 3.43Å; L29-H31 PolarHBondContact O-N 3.45Å; L29-L32 HydrophobicContact CD2-CD1 4.31Å; L29-L32 WeakPolarHBondContact O-CB 3.47Å; L29-L32 PolarHBondContact O-N 3.01Å; L29-D33 PolarHBondContact O-N 3.33Å
30S59.8Low61.7Low75 Ų75104.2 Ų104.252%0.52457%0.569SS.*Hα-helixtrans-58.7-34.1178.5-60.80000113.4N26 L32N26-S30 PolarHBondContact O-N 2.97Å; N26-S30 PolarHBondContact O-OG 3.38Å; S30-L32 VanDerWaalsContact C-N 3.31Å; S30-L32 PolarHBondContact O-N 3.37Å
31H61.6Low62.2Low126 Ų126102.4 Ų102.458%0.58356%0.562SS**Hα-helixtrans-74.4-21176.4-159.8-25.1000112.6L29 V35L29-H31 PolarHBondContact O-N 3.45Å; H31-V35 WeakPolarHBondContact O-CG2 3.38Å; H31-V35 PolarHBondContact O-N 3.44Å
32L67.5Low63.3Low96 Ų96101.3 Ų101.350%0.50356%0.557SS.*Hα-helixtrans-75.4-37176.2-70173.3000112L29 S30 V35 I36L29-L32 HydrophobicContact CD2-CD1 4.31Å; L29-L32 WeakPolarHBondContact O-CB 3.47Å; L29-L32 PolarHBondContact O-N 3.01Å; S30-L32 VanDerWaalsContact C-N 3.31Å; S30-L32 PolarHBondContact O-N 3.37Å; L32-V35 PolarHBondContact O-N 3.28Å; L32-I36 VanDerWaalsContact O-CG1 3.26Å; L32-I36 WeakPolarHBondContact O-CG1 3.45Å; L32-I36 PolarHBondContact O-N 3.29Å
33D70.7Confident64.1Low100 Ų10096.4 Ų96.454%0.53555%0.546SS..Hα-helixtrans-59.6-47.3175.3-71-55.7000111.1L29 V35 I36 D37L29-D33 PolarHBondContact O-N 3.33Å; D33-V35 VanDerWaalsContact C-N 3.26Å; D33-V35 PolarHBondContact O-N 3.14Å; D33-I36 PolarHBondContact O-N 2.86Å; D33-I36 VanDerWaalsContact O-N 3.1Å; D33-D37 PolarHBondContact O-N 3.27Å
34D70.6Confident65Low114 Ų11492.5 Ų92.561%0.6154%0.539SS*.Hα-helixtrans-57.4-35.7175.1-70.5-30.2000113.1S38D34-S38 WeakPolarHBondContact O-CB 3.44Å; D34-S38 PolarHBondContact O-N 3.18Å
35V73Confident65.6Low69 Ų6994.8 Ų94.842%0.41854%0.539SS..Hα-helixtrans-75.2-36.7178.1170.60000111.3H31 L32 D33 V39H31-V35 WeakPolarHBondContact O-CG2 3.38Å; H31-V35 PolarHBondContact O-N 3.44Å; L32-V35 PolarHBondContact O-N 3.28Å; D33-V35 VanDerWaalsContact C-N 3.26Å; D33-V35 PolarHBondContact O-N 3.14Å; V35-V39 HydrophobicContact CG1-CG2 4.5Å; V35-V39 VanDerWaalsContact O-CG2 3.3Å; V35-V39 WeakPolarHBondContact O-CG2 3.41Å; V35-V39 PolarHBondContact O-N 3.11Å; V35-V39 VanDerWaalsContact O-N 3.09Å
36I74.1Confident66Low96 Ų96100.3 Ų100.349%0.49255%0.552SS.*Hα-helixtrans-64.9-48.8176.8-70162.7000110L32 D33 S38 V39 V40L32-I36 VanDerWaalsContact O-CG1 3.26Å; L32-I36 WeakPolarHBondContact O-CG1 3.45Å; L32-I36 PolarHBondContact O-N 3.29Å; D33-I36 PolarHBondContact O-N 2.86Å; D33-I36 VanDerWaalsContact O-N 3.1Å; I36-S38 VanDerWaalsContact C-N 3.29Å; I36-S38 PolarHBondContact O-N 3.2Å; I36-V39 PolarHBondContact O-N 3.26Å; I36-V40 HydrophobicContact CG2-CG2 4.22Å; I36-V40 WeakPolarHBondContact O-CB 3.45Å; I36-V40 VanDerWaalsContact O-CG2 3.27Å; I36-V40 WeakPolarHBondContact O-CG2 3.3Å; I36-V40 PolarHBondContact O-N 3.3Å
37D72.4Confident66.5Low109 Ų10999.1 Ų99.158%0.58356%0.556SS**Hα-helixtrans-61.9-36.6179.1-84.7-21.3000112.4D33 S41D33-D37 PolarHBondContact O-N 3.27Å; D37-S41 WeakPolarHBondContact O-CB 3.49Å; D37-S41 PolarHBondContact O-N 3.46Å; D37-S41 PolarHBondContact O-OG 3.31Å
38S72.9Confident66.8Low79 Ų7999 Ų9955%0.55256%0.557SS**Hα-helixtrans-62.6-50.2174.4-173.20000112.3D34 I36 V40 S41 E42D34-S38 WeakPolarHBondContact O-CB 3.44Å; D34-S38 PolarHBondContact O-N 3.18Å; I36-S38 VanDerWaalsContact C-N 3.29Å; I36-S38 PolarHBondContact O-N 3.2Å; S38-V40 PolarHBondContact O-N 3.44Å; S38-S41 PolarHBondContact O-N 3.33Å; S38-E42 PolarHBondContact O-N 3.36Å; S38-E42 VanDerWaalsContact O-N 3.07Å
39V73.1Confident67.1Low87 Ų87102.3 Ų102.353%0.52756%0.56SS.*Hα-helixtrans-67-37.7-180172.30000111.8V35 I36 A43V35-V39 HydrophobicContact CG1-CG2 4.5Å; V35-V39 VanDerWaalsContact O-CG2 3.3Å; V35-V39 WeakPolarHBondContact O-CG2 3.41Å; V35-V39 PolarHBondContact O-N 3.11Å; V35-V39 VanDerWaalsContact O-N 3.09Å; I36-V39 PolarHBondContact O-N 3.26Å; V39-A43 WeakPolarHBondContact O-CB 3.44Å; V39-A43 PolarHBondContact O-N 3.45Å
40V75.7Confident67.2Low71 Ų71101.8 Ų101.843%0.4356%0.562SS.*Hα-helixtrans-65.5-40.5175.6169.80000110.7I36 S38 A43 I44I36-V40 HydrophobicContact CG2-CG2 4.22Å; I36-V40 WeakPolarHBondContact O-CB 3.45Å; I36-V40 VanDerWaalsContact O-CG2 3.27Å; I36-V40 WeakPolarHBondContact O-CG2 3.3Å; I36-V40 PolarHBondContact O-N 3.3Å; S38-V40 PolarHBondContact O-N 3.44Å; V40-A43 PolarHBondContact O-N 3.45Å; V40-I44 HydrophobicContact CG1-CD1 3.87Å; V40-I44 VanDerWaalsContact O-CG1 3.29Å; V40-I44 WeakPolarHBondContact O-CG1 3.38Å; V40-I44 PolarHBondContact O-N 3.47Å
41S64.9Low67.3Low74 Ų74103.1 Ų103.152%0.51757%0.569SS.*Hα-helixtrans-62.8-47.1176.9-60.40000112.1D37 S38 A43 I44 E45D37-S41 WeakPolarHBondContact O-CB 3.49Å; D37-S41 PolarHBondContact O-N 3.46Å; D37-S41 PolarHBondContact O-OG 3.31Å; S38-S41 PolarHBondContact O-N 3.33Å; S41-A43 VanDerWaalsContact C-N 3.34Å; S41-A43 PolarHBondContact O-N 3.28Å; S41-I44 PolarHBondContact O-N 2.96Å; S41-E45 PolarHBondContact O-N 2.88Å; S41-E45 VanDerWaalsContact O-N 3.12Å
42E67.7Low67.1Low138 Ų138104.6 Ų104.665%0.64558%0.576SS**Hα-helixtrans-62.1-40.1176.1-173.4179.5-170.800111.9S38 I44 E45 Y46S38-E42 PolarHBondContact O-N 3.36Å; S38-E42 VanDerWaalsContact O-N 3.07Å; E42-I44 PolarHBondContact O-N 3.33Å; E42-E45 PolarHBondContact O-N 3.21Å; E42-Y46 WeakPolarHBondContact O-CB 3.43Å; E42-Y46 PolarHBondContact O-N 3.13Å
43A66.3Low66.5Low59 Ų59108.8 Ų108.849%0.48859%0.593SS.*Hα-helixtrans-65.8-35.1178.500000113.1V39 V40 S41 A47V39-A43 WeakPolarHBondContact O-CB 3.44Å; V39-A43 PolarHBondContact O-N 3.45Å; V40-A43 PolarHBondContact O-N 3.45Å; S41-A43 VanDerWaalsContact C-N 3.34Å; S41-A43 PolarHBondContact O-N 3.28Å; A43-A47 VanDerWaalsContact O-CB 3.3Å; A43-A47 WeakPolarHBondContact O-CB 3.43Å; A43-A47 PolarHBondContact O-N 3.31Å
44I71.1Confident65.8Low113 Ų113112.4 Ų112.458%0.57960%0.599SS**Hα-helixtrans-68.5-47.5175-68.5164.2000110.3V40 S41 E42 Y46 A47 D48V40-I44 HydrophobicContact CG1-CD1 3.87Å; V40-I44 VanDerWaalsContact O-CG1 3.29Å; V40-I44 WeakPolarHBondContact O-CG1 3.38Å; V40-I44 PolarHBondContact O-N 3.47Å; S41-I44 PolarHBondContact O-N 2.96Å; E42-I44 PolarHBondContact O-N 3.33Å; I44-Y46 VanDerWaalsContact C-N 3.27Å; I44-Y46 PolarHBondContact O-N 2.98Å; I44-A47 PolarHBondContact O-N 3.01Å; I44-A47 VanDerWaalsContact O-N 3.13Å; I44-D48 PolarHBondContact O-N 3.45Å; I44-D48 VanDerWaalsContact O-N 3.14Å
45E66.1Low65.2Low142 Ų142112.9 Ų112.966%0.66461%0.606SS**Hα-helixtrans-62.6-34.4178.7-170.1176.6-166.500112.2S41 E42S41-E45 PolarHBondContact O-N 2.88Å; S41-E45 VanDerWaalsContact O-N 3.12Å; E42-E45 PolarHBondContact O-N 3.21Å
46Y59.1Low64.2Low147 Ų147117.1 Ų117.158%0.57663%0.626SS**Hα-helixtrans-75.3-29.7175.2-162.3-91.7000113.4E42 I44 R54E42-Y46 WeakPolarHBondContact O-CB 3.43Å; E42-Y46 PolarHBondContact O-N 3.13Å; I44-Y46 VanDerWaalsContact C-N 3.27Å; I44-Y46 PolarHBondContact O-N 2.98Å; Y46-R54 PolarHBondContact OH-NH2 2.91Å
47A62.5Low63.3Low83 Ų83118.2 Ų118.269%0.68664%0.639SS**Hα-helixtrans-73.9-27.1177.300000113.4A43 I44 K49A43-A47 VanDerWaalsContact O-CB 3.3Å; A43-A47 WeakPolarHBondContact O-CB 3.43Å; A43-A47 PolarHBondContact O-N 3.31Å; I44-A47 PolarHBondContact O-N 3.01Å; I44-A47 VanDerWaalsContact O-N 3.13Å; A47-K49 VanDerWaalsContact C-N 3.31Å
48D62.6Low62.7Low142 Ų142122.7 Ų122.776%0.75965%0.653SS**THydrogen-bonded Turntrans-81.7-7.1179.5-151.225.1000113.2I44 P50I44-D48 PolarHBondContact O-N 3.45Å; I44-D48 VanDerWaalsContact O-N 3.14Å; D48-P50 WeakPolarHBondContact O-CD 3.35Å
49K63.1Low61.3Low130 Ų130125.8 Ų125.857%0.56566%0.663SS**SBendtrans-71.8121.5174.7-69.6-166.2177.1-169.50111.1A47A47-K49 VanDerWaalsContact C-N 3.31Å
50P55.9Low60.4Low87 Ų87129.4 Ų129.457%0.56568%0.678SS**  trans-65.2147.3-174.425.2-33.9000112.2D48 E52D48-P50 WeakPolarHBondContact O-CD 3.35Å; P50-E52 PolarHBondContact O-N 3.42Å
51P63.6Low59Low103 Ų103136.5 Ų136.567%0.66970%0.697SS**G310 helixtrans-71.5-1.5-170.728.9-36.7000115.2E53 R54P51-E53 VanDerWaalsContact C-N 3.31Å; P51-E53 PolarHBondContact O-N 3.48Å; P51-R54 WeakPolarHBondContact O-CB 3.37Å; P51-R54 PolarHBondContact O-N 3.1Å
52E57.4Low58.3Low157 Ų157142.6 Ų142.673%0.73471%0.714SS**G310 helixtrans-66.9-28.1-172.6-69.2175.2133.700113.2P50 R54 T55P50-E52 PolarHBondContact O-N 3.42Å; E52-R54 PolarHBondContact O-N 3.02Å; E52-R54 VanDerWaalsContact O-N 3.15Å; E52-T55 PolarHBondContact O-OG1 3.41Å
53E54.4Low57.6Low185 Ų185140.1 Ų140.186%0.86472%0.717SS**G310 helixtrans-68.2-8.4172.5-67.2-164.3151.400113.9P51P51-E53 VanDerWaalsContact C-N 3.31Å; P51-E53 PolarHBondContact O-N 3.48Å
54R55.5Low57.4Low176 Ų176143 Ų14366%0.66473%0.731SS**G310 helixtrans-93.11.9-176.4-62.8-173.9170.8-161.9-3.9114.9Y46 P51 E52 L56Y46-R54 PolarHBondContact OH-NH2 2.91Å; P51-R54 WeakPolarHBondContact O-CB 3.37Å; P51-R54 PolarHBondContact O-N 3.1Å; E52-R54 PolarHBondContact O-N 3.02Å; E52-R54 VanDerWaalsContact O-N 3.15Å; R54-L56 PolarHBondContact O-N 2.99Å; R54-L56 VanDerWaalsContact O-N 3.15Å
55T58.4Low56.4Low123 Ų123143.1 Ų143.176%0.75574%0.739SS**  trans-82.590.6176.346.60000113E52E52-T55 PolarHBondContact O-OG1 3.41Å
56L50.6Low56Low158 Ų158142 Ų14283%0.82774%0.744SS**PPolyproline II helixtrans-55.9137.5168.8-72.9163.1000111.8R54R54-L56 PolarHBondContact O-N 2.99Å; R54-L56 VanDerWaalsContact O-N 3.15Å
57P56.5Low56.2Low119 Ų119140.9 Ų140.977%0.77376%0.755SS**PPolyproline II helixtrans-65.5147.2177.925.8-33.5000112.6
58K58.5Low56.1Low203 Ų203148.6 Ų148.688%0.88377%0.766SS**PPolyproline II helixtrans-63.4136.2-169.8-68.8177.4178.7174.30113.4I60K58-I60 PolarHBondContact O-N 3.42Å
59L44.6Very low55.9Low145 Ų145148.6 Ų148.676%0.75977%0.771SS**PPolyproline II helixtrans-55.8131.8172.4-91.964.9000112.3
60I54.9Low55.2Low162 Ų162153.3 Ų153.383%0.83179%0.785SS**  trans-120.7101.1159.1-37.6177.2000108.1K58 K62K58-I60 PolarHBondContact O-N 3.42Å; I60-K62 PolarHBondContact O-N 2.98Å; I60-K62 VanDerWaalsContact O-N 3.1Å
61R44.7Very low54.8Low221 Ų221154.4 Ų154.483%0.83479%0.793SS**  trans-72.6100.1178.1-68.2-178.9173.5-150.3-1.7109.7A63R61-A63 PolarHBondContact O-N 3.35Å
62K50.2Low54.1Low202 Ų202155.5 Ų155.588%0.87880%0.8SS**PPolyproline II helixtrans-64.3122.7160.3-76.8-175.3176.2178.90107.9I60I60-K62 PolarHBondContact O-N 2.98Å; I60-K62 VanDerWaalsContact O-N 3.1Å
63A54.5Low53.7Low86 Ų86155.6 Ų155.671%0.71180%0.804SS**PPolyproline II helixtrans-61.3140.5179.200000110.3R61R61-A63 PolarHBondContact O-N 3.35Å
64P60.3Low53.6Low120 Ų120152.5 Ų152.578%0.77979%0.793SS**PPolyproline II helixtrans-66134.5-178.626.4-33.4000110.8
65P50.4Low53.5Low115 Ų115153.4 Ų153.475%0.74781%0.808SS**PPolyproline II helixtrans-68.9149.5178.828.2-34.3000111.8
66P58Low53Low117 Ų117150.6 Ų150.676%0.7680%0.804SS**PPolyproline II helixtrans-68153-176.527.1-34.7000113.1R68P66-R68 PolarHBondContact O-N 3.22Å
67P63.7Low53.1Low125 Ų125150.6 Ų150.681%0.81280%0.799SS**PPolyproline II helixtrans-70.5126.1-171.227.4-34.8000112.9
68R61.3Low53Low245 Ų245153.5 Ų153.593%0.92580%0.8SS**PPolyproline II helixtrans-75126.6167.3-83.4-177.2172.3163.9-2.2110.6P66P66-R68 PolarHBondContact O-N 3.22Å
69V57.4Low52.5Low141 Ų141151.4 Ų151.486%0.85580%0.798SS**PPolyproline II helixtrans-69129.9177.7-168.50000110
70R47.9Very low52.3Low229 Ų229153.6 Ų153.686%0.86481%0.805SS**PPolyproline II helixtrans-88.6129171.4-90.1-174166.7-158.6-2.9110.5
71P48Very low51.3Low111 Ų111147.8 Ų147.872%0.72179%0.785SS**PPolyproline II helixtrans-68.3151.5166.1-16.130.8000111.6
72P49.2Very low51.2Low126 Ų126148 Ų14882%0.81879%0.786SS**PPolyproline II helixtrans-75.2143.1179.430.7-34.4000112.3N74P72-N74 PolarHBondContact O-N 3.49Å
73L49.1Very low51Low158 Ų158145.4 Ų145.483%0.82778%0.782SS**  trans-77.9111178.6-69.2165.2000110.7M75L73-M75 PolarHBondContact O-N 3.4Å
74N52.1Low50.1Low120 Ų120151 Ų15164%0.64279%0.79SS**  trans-77.8115.2170.4-168.427.2000109.8P72 G76P72-N74 PolarHBondContact O-N 3.49Å; N74-G76 PolarHBondContact O-N 3.2Å
75M52.5Low49Very low195 Ų195149.3 Ų149.396%0.96179%0.787SS**THydrogen-bonded Turntrans-79.317.1-165.7-149.4178.6-6400114.6L73L73-M75 PolarHBondContact O-N 3.4Å
76G49.7Very low48.6Very low65 Ų65150.5 Ų150.567%0.6779%0.792SS**THydrogen-bonded Turntrans-108.9-25.7-174.400000116.8N74N74-G76 PolarHBondContact O-N 3.2Å
77E51.1Low48.5Very low157 Ų157150.1 Ų150.173%0.73479%0.789SS**THydrogen-bonded Turntrans-118.5-15.2-168.5-90.5170.2106.300115.8N79E77-N79 PolarHBondContact O-N 3.18Å
78F54.4Low47.5Very low180 Ų180152 Ų15279%0.78979%0.793SS**THydrogen-bonded Turntrans-80.421.7-172.4-127.7-91.8000115.6
79N47.7Very low46.1Very low159 Ų159143.8 Ų143.885%0.8578%0.784SS**THydrogen-bonded Turntrans-93.72.6175.5-142.6-25.6000112.7E77E77-N79 PolarHBondContact O-N 3.18Å
80Q41.9Very low45.5Very low192 Ų192145.1 Ų145.190%0.89779%0.786SS**SBendtrans-130.228.1-172.6-64.8-161.55200116.1
81G33.9Very low45.1Very low40 Ų40142.3 Ų142.341%0.41279%0.788SS.*  trans-174.191169.500000111.2
82R42.7Very low44.7Very low226 Ų226145.8 Ų145.885%0.85379%0.794SS**  46.998.451-101.4-164.6-177.2-137.81.1113
83N45Very low44.3Very low147 Ų147148.3 Ų148.379%0.78680%0.797SS**  trans46.275145.9-67.9-20.6000118.4
84F36.4Very low44Very low202 Ų202146.5 Ų146.589%0.88680%0.795SS**  trans-128.792.3143.3-70.4-82.9000107.1
85A37Very low43.4Very low86 Ų86150.2 Ų150.271%0.71181%0.806SS**  85.7133.484.400000110.4
86T41.6Very low42.9Very low139 Ų139149.2 Ų149.285%0.85380%0.803SS**  cis-141.9170.534.531.60000113.9
87P56.1Low42.5Very low109 Ų109150.3 Ų150.371%0.70881%0.806SS**  trans-108.6135.2-154.237.7-29.9000115.3
88N41.5Very low41.7Very low166 Ų166146.9 Ų146.989%0.88881%0.813SS**  trans-173.7114.4135-99-21.8000110.9
89G33.4Very low40.9Very low72 Ų72141.8 Ų141.874%0.74281%0.812SS**SBendtrans5698.615700000119.8
90L44.1Very low40.7Very low169 Ų169142 Ų14289%0.88581%0.813SS**  17683.8125.8-94.3167.9000110Q92L90-Q92 PolarHBondContact O-N 3.47Å
91N40.3Very low40.5Very low170 Ų170141.1 Ų141.191%0.90981%0.808SS**  trans-81.7110.1174.3-87.9-47.9000110.5
92Q39.7Very low40.6Very low183 Ų183148.3 Ų148.386%0.85583%0.829SS**PPolyproline II helixtrans-90.4121.9163.8-72.5179.585.200109L90L90-Q92 PolarHBondContact O-N 3.47Å
93M39.3Very low40.3Very low180 Ų180145.9 Ų145.989%0.88783%0.827SS**PPolyproline II helixtrans-69.3135.5-176.7-68.9-177.1-77.400111.8F95M93-F95 PolarHBondContact O-N 3.5Å
94P44.2Very low39.9Very low120 Ų120146.1 Ų146.178%0.77982%0.824SS**PPolyproline II helixtrans-83.1116.2175.632-32.2000112.2
95F38.7Very low39.8Very low198 Ų198146.2 Ų146.287%0.86882%0.824SS**  trans35.8105.3141.2-119.1-100.8000120M93M93-F95 PolarHBondContact O-N 3.5Å
96L42.1Very low39.8Very low173 Ų173149.4 Ų149.491%0.90683%0.828SS**  trans-125.998.6152.3-73161.9000105.7
97A41Very low39.7Very low88 Ų88149.5 Ų149.573%0.72782%0.823SS**  63.192.773.900000113.9
98G34.3Very low38.9Very low86 Ų86152 Ų15289%0.88783%0.825SS**  trans165.8117.1166.700000114.9
99G37.5Very low38.5Very low73 Ų73151.9 Ų151.975%0.75382%0.819SS**  trans118.370.5165.900000116.7
100N44.1Very low38.7Very low164 Ų164157.7 Ų157.788%0.87783%0.825SS**  trans-156.258.9163.8-100.1-26.7000111.4
101Q37.2Very low38.6Very low172 Ų172154.9 Ų154.980%0.80482%0.817SS**  trans-143.9152.4163.9-73.4-68.3-2.900106.3
102F36.3Very low38.7Very low192 Ų192153.8 Ų153.884%0.84282%0.816SS**  trans75.470.3-174.8-60.6-88.3000117.5
103Q37.5Very low38.5Very low174 Ų174153.6 Ų153.681%0.81382%0.817SS**  -159.1106.2114.3-102.8169.810600107.4
104Q35.4Very low38.4Very low153 Ų153151.4 Ų151.472%0.71581%0.814SS**  61.1102.1100.4-66-177.343.200111.1
105K35Very low38.6Very low204 Ų204151.4 Ų151.489%0.88781%0.814SS**  cis65.650.727.7-155.8-160.3175.6-174.30114.4
106L36.7Very low38.4Very low153 Ų153152 Ų15280%0.80182%0.817SS**  trans-146.8151.2152.1-71.8-178.3000108.4
107N38.5Very low38.1Very low141 Ų141150.7 Ų150.775%0.75481%0.81SS**  trans61.8139.5-172.7-8229.7000116.4
108E39.6Very low37.9Very low161 Ų161152.9 Ų152.975%0.75282%0.815SS**  cis-145.2150.9-11.9-97.9151.3106.100107.4
109Q34.1Very low38.5Very low164 Ų164151.5 Ų151.577%0.76680%0.8SS**  cis94.676.99.2-155.9165.3-51.200118.7
110F36.6Very low38.8Very low194 Ų194157.1 Ų157.185%0.85181%0.807SS**  trans87.7155.7143.3-78.9-39.8000121.4
111P43.5Very low39Very low110 Ų110153.2 Ų153.271%0.71480%0.797SS**  trans-123.1152.8-134.440.4-25.2000114.4
112T41.8Very low39.3Very low147 Ų147148 Ų14890%0.90278%0.784SS**PPolyproline II helixtrans-99.6136.9177.5-58.60000112.2
113M34.9Very low39.8Very low178 Ų178144.4 Ų144.488%0.87778%0.778SS**PPolyproline II helixtrans-74.5166.7-173-70.9-173.9-78.900115.1
114V37Very low40.2Very low134 Ų134139.7 Ų139.781%0.81277%0.769SS**PPolyproline II helixtrans-58.3157.2173.5-80.60000114.6
115P48Very low40.7Very low120 Ų120135.4 Ų135.478%0.77976%0.759SS**PPolyproline II helixtrans-91.4152.6-158.935.5-36.7000115.2
116F34.6Very low41.4Very low212 Ų212128.5 Ų128.593%0.9374%0.741SS**  trans-109152.2160.7-90.5-89.9000111.6
117N36.1Very low42Very low144 Ų144124.2 Ų124.277%0.7773%0.727SS**  trans-59.3144.9-166.3-108.9-8.9000117.6
118T37.8Very low42.6Very low135 Ų135120.4 Ų120.483%0.82872%0.715SS**  trans53.2138145.752.40000120.8
119G46Very low43.2Very low56 Ų56115.3 Ų115.358%0.57770%0.7SS**  cis-172.7172.42.700000112.3A121G119-A121 PolarHBondContact O-N 3.48Å
120Q43.8Very low43.9Very low192 Ų192110.3 Ų110.390%0.89769%0.687SS**SBendtrans65.1-39.2-169.3-64.3-166.6-0.800117.4A122Q120-A122 PolarHBondContact O-N 2.95Å; Q120-A122 VanDerWaalsContact O-N 3.13Å
121A47.7Very low44.6Very low81 Ų81103.9 Ų103.967%0.66967%0.67SS**THydrogen-bonded Turntrans-67.3-10.3172.700000113.8G119 T123 A125G119-A121 PolarHBondContact O-N 3.48Å; A121-T123 VanDerWaalsContact C-N 3.33Å; A121-T123 PolarHBondContact O-N 3.1Å; A121-A125 PolarHBondContact O-N 3.03Å
122A44.9Very low44.9Very low64 Ų64100.7 Ų100.753%0.52965%0.653SS.*Hα-helixtrans-65-27-175.200000114.3Q120 A126Q120-A122 PolarHBondContact O-N 2.95Å; Q120-A122 VanDerWaalsContact O-N 3.13Å; A122-A126 WeakPolarHBondContact O-CB 3.38Å; A122-A126 PolarHBondContact O-N 3.01Å
123T46.6Very low45.4Very low115 Ų115100 Ų10071%0.70664%0.639SS**Hα-helixtrans-73.6-38.5-174.5-21.30000112.5A121 A127A121-T123 VanDerWaalsContact C-N 3.33Å; A121-T123 PolarHBondContact O-N 3.1Å; T123-A127 WeakPolarHBondContact O-CB 3.35Å; T123-A127 PolarHBondContact O-N 3.45Å
124A45.7Very low46.1Very low76 Ų7698.7 Ų98.763%0.62863%0.631SS**Hα-helixtrans-70.8-41.5174.400000111.4A127 A128A124-A127 PolarHBondContact O-N 3.48Å; A124-A128 WeakPolarHBondContact O-CB 3.2Å; A124-A128 PolarHBondContact O-N 3.33Å
125A46.5Very low46.8Very low62 Ų6299.4 Ų99.451%0.51263%0.626SS.*Hα-helixtrans-66.1-38.3175.600000112.5A121 A128 A129A121-A125 PolarHBondContact O-N 3.03Å; A125-A128 PolarHBondContact O-N 3.17Å; A125-A129 WeakPolarHBondContact O-CB 3.48Å; A125-A129 PolarHBondContact O-N 3.41Å
126A48.6Very low46.7Very low60 Ų6098.1 Ų98.150%0.49661%0.612SS.*Hα-helixtrans-69.3-38.3174.900000112.2A122 A129 A130A122-A126 WeakPolarHBondContact O-CB 3.38Å; A122-A126 PolarHBondContact O-N 3.01Å; A126-A129 PolarHBondContact O-N 3Å; A126-A130 WeakPolarHBondContact O-CB 3.43Å; A126-A130 PolarHBondContact O-N 3.23Å
127A50.6Low47.4Very low62 Ų6294.3 Ų94.351%0.51260%0.6SS.*Hα-helixtrans-64.6-43.8173.200000111.8T123 A124 A130 A131T123-A127 WeakPolarHBondContact O-CB 3.35Å; T123-A127 PolarHBondContact O-N 3.45Å; A124-A127 PolarHBondContact O-N 3.48Å; A127-A130 PolarHBondContact O-N 3.4Å; A127-A131 WeakPolarHBondContact O-CB 3.48Å; A127-A131 PolarHBondContact O-N 3.21Å
128A50.2Low48Very low62 Ų6295 Ų9551%0.51260%0.601SS.*Hα-helixtrans-64.9-42174.800000112.2A124 A125 A131 A132A124-A128 WeakPolarHBondContact O-CB 3.2Å; A124-A128 PolarHBondContact O-N 3.33Å; A125-A128 PolarHBondContact O-N 3.17Å; A128-A131 PolarHBondContact O-N 3.24Å; A128-A132 WeakPolarHBondContact O-CB 3.44Å; A128-A132 PolarHBondContact O-N 3.47Å
129A51.5Low48.4Very low53 Ų5396.5 Ų96.544%0.43860%0.599SS.*Hα-helixtrans-68.4-37.5177.200000112.7A125 A126 A132 Q133A125-A129 WeakPolarHBondContact O-CB 3.48Å; A125-A129 PolarHBondContact O-N 3.41Å; A126-A129 PolarHBondContact O-N 3Å; A129-A132 PolarHBondContact O-N 3.01Å; A129-Q133 WeakPolarHBondContact O-CB 3.48Å; A129-Q133 WeakPolarHBondContact O-CG 3.18Å; A129-Q133 PolarHBondContact O-N 2.87Å
130A50.3Low48Very low59 Ų59103 Ų10349%0.48861%0.607SS.*Hα-helixtrans-68.1-41.1175.200000112A126 A127 Q134A126-A130 WeakPolarHBondContact O-CB 3.43Å; A126-A130 PolarHBondContact O-N 3.23Å; A127-A130 PolarHBondContact O-N 3.4Å; A130-Q134 PolarHBondContact O-N 3.41Å
131A50.1Low47.9Very low60 Ų60101.2 Ų101.250%0.49660%0.603SS.*Hα-helixtrans-65.4-43.2172.900000111.8A127 A128 Q133 Q134 Q135A127-A131 WeakPolarHBondContact O-CB 3.48Å; A127-A131 PolarHBondContact O-N 3.21Å; A128-A131 PolarHBondContact O-N 3.24Å; A131-Q133 PolarHBondContact O-N 3.26Å; A131-Q134 PolarHBondContact O-N 3.49Å; A131-Q135 PolarHBondContact O-N 3.39Å
132A51Low47.3Very low43 Ų4399.9 Ų99.936%0.35560%0.598SS.*Hα-helixtrans-63.9-38.6176.800000112.4A128 A129 Q134 Q135 L136A128-A132 WeakPolarHBondContact O-CB 3.44Å; A128-A132 PolarHBondContact O-N 3.47Å; A129-A132 PolarHBondContact O-N 3.01Å; A132-Q134 PolarHBondContact O-N 3.45Å; A132-Q135 PolarHBondContact O-N 3.06Å; A132-L136 WeakPolarHBondContact O-CB 3.45Å; A132-L136 WeakPolarHBondContact O-CG 3.32Å; A132-L136 PolarHBondContact O-N 3.38Å
133Q50.5Low46.9Very low131 Ų131105.1 Ų105.161%0.61261%0.611SS**Hα-helixtrans-62.3-40.5175.6-81.9-164.57.200112.5A129 A131 Q135 L136 L137A129-Q133 WeakPolarHBondContact O-CB 3.48Å; A129-Q133 WeakPolarHBondContact O-CG 3.18Å; A129-Q133 PolarHBondContact O-N 2.87Å; A131-Q133 PolarHBondContact O-N 3.26Å; Q133-Q135 PolarHBondContact O-N 3.39Å; Q133-L136 PolarHBondContact O-N 3.01Å; Q133-L137 WeakPolarHBondContact O-CB 3.37Å; Q133-L137 WeakPolarHBondContact O-CD1 3.34Å; Q133-L137 WeakPolarHBondContact O-CG 3.36Å; Q133-L137 PolarHBondContact O-N 3.12Å
134Q51Low46.4Very low151 Ų151111.1 Ų111.171%0.70662%0.623SS**Hα-helixtrans-67.1-34.1177.3-69.1-158.227.500113A130 A131 A132 M138A130-Q134 PolarHBondContact O-N 3.41Å; A131-Q134 PolarHBondContact O-N 3.49Å; A132-Q134 PolarHBondContact O-N 3.45Å; Q134-M138 PolarHBondContact O-N 3.02Å
135Q51.1Low46.3Very low149 Ų149112.4 Ų112.470%0.69663%0.625SS**Hα-helixtrans-74.9-39.6174-70.6-170.8-9.200112.7A131 A132 Q133 L137 M138 Q139A131-Q135 PolarHBondContact O-N 3.39Å; A132-Q135 PolarHBondContact O-N 3.06Å; Q133-Q135 PolarHBondContact O-N 3.39Å; Q135-L137 VanDerWaalsContact C-N 3.34Å; Q135-L137 PolarHBondContact O-N 3.07Å; Q135-M138 PolarHBondContact O-N 3.41Å; Q135-Q139 PolarHBondContact O-N 3.02Å
136L47Very low46.2Very low94 Ų94114.1 Ų114.149%0.49264%0.639SS.*Hα-helixtrans-58.7-44.4173.6-84.6160.1000111.4A132 Q133 M138 Q139 Y140A132-L136 WeakPolarHBondContact O-CB 3.45Å; A132-L136 WeakPolarHBondContact O-CG 3.32Å; A132-L136 PolarHBondContact O-N 3.38Å; Q133-L136 PolarHBondContact O-N 3.01Å; L136-M138 VanDerWaalsContact C-N 3.29Å; L136-M138 PolarHBondContact O-N 3.17Å; L136-Q139 PolarHBondContact O-N 2.99Å; L136-Y140 HydrophobicContact CD2-CD2 4.04Å; L136-Y140 HydrophobicContact CD2-CE2 3.94Å; L136-Y140 WeakPolarHBondContact O-CB 3.46Å; L136-Y140 PolarHBondContact O-N 3.33Å
137L48.9Very low46.1Very low131 Ų131120.3 Ų120.369%0.68666%0.657SS**Hα-helixtrans-63.6-28.9178.4-79.8160.4000113.8Q133 Q135Q133-L137 WeakPolarHBondContact O-CB 3.37Å; Q133-L137 WeakPolarHBondContact O-CD1 3.34Å; Q133-L137 WeakPolarHBondContact O-CG 3.36Å; Q133-L137 PolarHBondContact O-N 3.12Å; Q135-L137 VanDerWaalsContact C-N 3.34Å; Q135-L137 PolarHBondContact O-N 3.07Å
138M47.2Very low45.9Very low158 Ų158125.2 Ų125.278%0.77867%0.67SS**Hα-helixtrans-83.4-32174.2-68.6-143.3-65.600113.3Q134 Q135 L136Q134-M138 PolarHBondContact O-N 3.02Å; Q135-M138 PolarHBondContact O-N 3.41Å; L136-M138 VanDerWaalsContact C-N 3.29Å; L136-M138 PolarHBondContact O-N 3.17Å
139Q46.5Very low45.8Very low168 Ų168130.6 Ų130.679%0.78568%0.684SS**Hα-helixtrans-82.3-28.4179.9-145.1-177.1105.900113Q135 L136 N141 G142Q135-Q139 PolarHBondContact O-N 3.02Å; L136-Q139 PolarHBondContact O-N 2.99Å; Q139-N141 PolarHBondContact O-N 3.49Å; Q139-N141 VanDerWaalsContact O-N 3.09Å; Q139-G142 PolarHBondContact O-N 3.36Å
140Y38Very low45.7Very low193 Ų193137.3 Ų137.376%0.75771%0.706SS**THydrogen-bonded Turntrans-727.7174.4-101.4-86000115.2L136 G142L136-Y140 HydrophobicContact CD2-CD2 4.04Å; L136-Y140 HydrophobicContact CD2-CE2 3.94Å; L136-Y140 WeakPolarHBondContact O-CB 3.46Å; L136-Y140 PolarHBondContact O-N 3.33Å; Y140-G142 VanDerWaalsContact C-N 3.28Å
141N41.9Very low45.5Very low153 Ų153141.4 Ų141.482%0.81872%0.716SS**THydrogen-bonded Turntrans-9210.3167.2-137.3-5.3000112.8Q139 Q143Q139-N141 PolarHBondContact O-N 3.49Å; Q139-N141 VanDerWaalsContact O-N 3.09Å; N141-Q143 PolarHBondContact O-N 3.34Å
142G35.1Very low45.4Very low53 Ų53146.6 Ų146.655%0.54673%0.729SS.*SBendtrans-72.2115.8162.200000112.2Q139 Y140Q139-G142 PolarHBondContact O-N 3.36Å; Y140-G142 VanDerWaalsContact C-N 3.28Å
143Q35.8Very low45.4Very low174 Ų174153.7 Ų153.781%0.81376%0.755SS**  trans69.485.9150.5-54.8179.85.800118.9N141 P145N141-Q143 PolarHBondContact O-N 3.34Å; Q143-P145 VanDerWaalsContact C-CD 3.43Å
144Y36.8Very low45.2Very low241 Ų241155.4 Ų155.495%0.94576%0.763SS**  trans-116.377.8136.2-86.1-81.5000110.5
145P43.6Very low45Very low104 Ų104153.5 Ų153.568%0.67576%0.755SS**  trans-67.3146.5162.331.3-33.3000109.8Q143Q143-P145 VanDerWaalsContact C-CD 3.43Å
146A44.8Very low45.1Very low97 Ų97151.8 Ų151.880%0.80276%0.756SS**SBendtrans63.876.4174.100000117.6
147Q46.6Very low45.7Very low190 Ų190154.8 Ų154.889%0.88877%0.768SS**SBendtrans-160.3-10.2130.7-116.7173.985.600116.8Q149Q147-Q149 PolarHBondContact O-N 3.07Å
148Q45.3Very low46.2Very low165 Ų165154.6 Ų154.677%0.77176%0.763SS**G310 helixtrans-71.610.2-179.3-80.6-146.745.400116.7Q150Q148-Q150 PolarHBondContact O-N 3.43Å; Q148-Q150 VanDerWaalsContact O-N 3.13Å
149Q48.6Very low47Very low176 Ų176155.1 Ų155.182%0.82276%0.757SS**G310 helixtrans-65-16.6178.1-128-177.620.200113.6Q147Q147-Q149 PolarHBondContact O-N 3.07Å
150Q49Very low48Very low193 Ų193154.3 Ų154.390%0.90275%0.753SS**G310 helixtrans-106.7-1.7-179-76.4-167.2-5.100116.9Q148Q148-Q150 PolarHBondContact O-N 3.43Å; Q148-Q150 VanDerWaalsContact O-N 3.13Å
151Q46.1Very low49.3Very low146 Ų146151.5 Ų151.568%0.68275%0.747SS**  trans-104.415.6170.3-79.5-16061.300114Q153 Q154Q151-Q153 PolarHBondContact O-N 3.43Å; Q151-Q154 PolarHBondContact O-N 3.05Å
152Q48.9Very low50.5Low168 Ų168150.2 Ų150.279%0.78574%0.736SS**THydrogen-bonded Turntrans-654.8-176-147.9-178.3111.300115.8
153Q50Low52.2Low192 Ų192153.7 Ų153.790%0.89774%0.738SS**THydrogen-bonded Turntrans-106.6-11.6176.6-89.5-168.640.600115.4Q151Q151-Q153 PolarHBondContact O-N 3.43Å
154Q47.5Very low53.9Low167 Ų167152.1 Ų152.178%0.7873%0.73SS**SBendtrans-121124.5-178.7-65.9-162.15800113.1Q151Q151-Q154 PolarHBondContact O-N 3.05Å
155Q46.3Very low55.6Low112 Ų112147.1 Ų147.152%0.52372%0.715SS.*  trans91.572.2176.2-54.1-169.130.100118.4Q157 Q158Q155-Q157 PolarHBondContact O-N 2.87Å; Q155-Q157 VanDerWaalsContact O-N 3.14Å; Q155-Q158 HydrophobicContact CB-CG 4.44Å
156P54.1Low57Low113 Ų113148.6 Ų148.673%0.73471%0.714SS**Hα-helixtrans-57-19157.625.3-34.5000113.8R159 Q160P156-R159 WeakPolarHBondContact O-CB 3.19Å; P156-R159 PolarHBondContact O-N 3.39Å; P156-Q160 PolarHBondContact O-N 3.21Å
157Q57.9Low58.5Low156 Ų156151.2 Ų151.273%0.72971%0.709SS**Hα-helixtrans-67.4-39.6-177.3-143.8169.211.800113.1Q155 R159 Q160 Q161Q155-Q157 PolarHBondContact O-N 2.87Å; Q155-Q157 VanDerWaalsContact O-N 3.14Å; Q157-R159 VanDerWaalsContact C-N 3.31Å; Q157-R159 PolarHBondContact O-N 3.09Å; Q157-Q160 PolarHBondContact O-N 3.46Å; Q157-Q161 PolarHBondContact O-N 3.02Å
158Q61Low60.1Low127 Ų127150.5 Ų150.559%0.59370%0.699SS**Hα-helixtrans-66-34.5173.9-68.9-172.426.900112Q155 Q160 Q161 Q162Q155-Q158 HydrophobicContact CB-CG 4.44Å; Q158-Q160 VanDerWaalsContact C-N 3.26Å; Q158-Q160 PolarHBondContact O-N 3.43Å; Q158-Q161 PolarHBondContact O-N 3.34Å; Q158-Q162 WeakPolarHBondContact O-CB 3.12Å; Q158-Q162 PolarHBondContact O-N 3.47Å
159R63.1Low61.6Low170 Ų170145.9 Ų145.964%0.64269%0.686SS**Hα-helixtrans-63.1-30.1177.3-112.8-81.4-72.7-146.5-4.4113.1P156 Q157 Q163P156-R159 WeakPolarHBondContact O-CB 3.19Å; P156-R159 PolarHBondContact O-N 3.39Å; Q157-R159 VanDerWaalsContact C-N 3.31Å; Q157-R159 PolarHBondContact O-N 3.09Å; R159-Q163 PolarHBondContact O-N 3.25Å
160Q67.2Low63Low150 Ų150145 Ų14570%0.70168%0.682SS**Hα-helixtrans-76.8-42.7173.7-166.2177.871.900111.3P156 Q157 Q158 Q162 Q163 Q164P156-Q160 PolarHBondContact O-N 3.21Å; Q157-Q160 PolarHBondContact O-N 3.46Å; Q158-Q160 VanDerWaalsContact C-N 3.26Å; Q158-Q160 PolarHBondContact O-N 3.43Å; Q160-Q162 PolarHBondContact O-N 3.33Å; Q160-Q163 PolarHBondContact O-N 3.47Å; Q160-Q164 PolarHBondContact O-N 2.95Å; Q160-Q164 VanDerWaalsContact O-N 3.11Å
161Q66.3Low64.3Low135 Ų135138.7 Ų138.763%0.63166%0.662SS**Hα-helixtrans-64.5-38.8177.7-153.9-173.196.200112.1Q157 Q158 Q163 Q164 Q165Q157-Q161 PolarHBondContact O-N 3.02Å; Q158-Q161 PolarHBondContact O-N 3.34Å; Q161-Q163 PolarHBondContact O-N 3.43Å; Q161-Q164 PolarHBondContact O-N 3.33Å; Q161-Q165 PolarHBondContact O-N 2.89Å
162Q67.7Low65.9Low125 Ų125133.4 Ų133.458%0.58464%0.644SS**Hα-helixtrans-66.2-35.3176.6-167-178.377.900112.7Q158 Q160 Q165 Q166Q158-Q162 WeakPolarHBondContact O-CB 3.12Å; Q158-Q162 PolarHBondContact O-N 3.47Å; Q160-Q162 PolarHBondContact O-N 3.33Å; Q162-Q165 PolarHBondContact O-N 3.09Å; Q162-Q166 WeakPolarHBondContact O-CG 3.3Å; Q162-Q166 PolarHBondContact O-N 3.09Å
163Q69.4Low67.4Low127 Ų127132.1 Ų132.159%0.59364%0.637SS**Hα-helixtrans-66-42.3172.2-101-179.983.200112R159 Q160 Q161 Q165 Q166 Q167R159-Q163 PolarHBondContact O-N 3.25Å; Q160-Q163 PolarHBondContact O-N 3.47Å; Q161-Q163 PolarHBondContact O-N 3.43Å; Q163-Q165 VanDerWaalsContact C-N 3.33Å; Q163-Q165 PolarHBondContact O-N 3.48Å; Q163-Q166 PolarHBondContact O-N 3.43Å; Q163-Q167 PolarHBondContact O-N 2.95Å
164Q72.7Confident68.8Low141 Ų141130 Ų13066%0.65963%0.625SS**Hα-helixtrans-63.6-39.7177-168.7179.886.900111.7Q160 Q161 Q166 Q167 Y168Q160-Q164 PolarHBondContact O-N 2.95Å; Q160-Q164 VanDerWaalsContact O-N 3.11Å; Q161-Q164 PolarHBondContact O-N 3.33Å; Q164-Q166 PolarHBondContact O-N 3.23Å; Q164-Q167 PolarHBondContact O-N 3.45Å; Q164-Y168 PolarHBondContact O-N 3.46Å
165Q72Confident70.5Confident135 Ų135127.6 Ų127.663%0.63161%0.614SS**Hα-helixtrans-66.7-36.6179.3-156.6-178.892.700112.6Q161 Q162 Q163 Q167 Y168 S169Q161-Q165 PolarHBondContact O-N 2.89Å; Q162-Q165 PolarHBondContact O-N 3.09Å; Q163-Q165 VanDerWaalsContact C-N 3.33Å; Q163-Q165 PolarHBondContact O-N 3.48Å; Q165-Q167 VanDerWaalsContact C-N 3.34Å; Q165-Y168 PolarHBondContact O-N 3.38Å; Q165-S169 PolarHBondContact O-N 3.29Å; Q165-S169 PolarHBondContact O-OG 2.97Å
166Q73Confident72.2Confident136 Ų136125 Ų12564%0.63661%0.612SS**Hα-helixtrans-67.2-31.4172.8-73.2-128.749.100113.4Q162 Q163 Q164 S169Q162-Q166 WeakPolarHBondContact O-CG 3.3Å; Q162-Q166 PolarHBondContact O-N 3.09Å; Q163-Q166 PolarHBondContact O-N 3.43Å; Q164-Q166 PolarHBondContact O-N 3.23Å; Q166-S169 PolarHBondContact O-OG 3.42Å; Q166-S169 VanDerWaalsContact O-OG 3.12Å
167Q77.1Confident73.7Confident152 Ų152123.5 Ų123.571%0.7160%0.598SS**Hα-helixtrans-73.6-38.1173.8-165.9172.812.100111.4Q163 Q164 Q165 A171Q163-Q167 PolarHBondContact O-N 2.95Å; Q164-Q167 PolarHBondContact O-N 3.45Å; Q165-Q167 VanDerWaalsContact C-N 3.34Å; Q167-A171 PolarHBondContact O-N 2.96Å
168Y79.1Confident74.9Confident174 Ų174122 Ų12268%0.68259%0.591SS**Hα-helixtrans-66.6-42.4177.9-169.2-93.7000112.7Q164 Q165 Q170 A171 A172Q164-Y168 PolarHBondContact O-N 3.46Å; Q165-Y168 PolarHBondContact O-N 3.38Å; Y168-Q170 VanDerWaalsContact C-N 3.31Å; Y168-Q170 PolarHBondContact O-N 3.5Å; Y168-A171 PolarHBondContact O-N 3.32Å; Y168-A172 HydrophobicContact CE1-CB 4.47Å; Y168-A172 WeakPolarHBondContact O-CB 3.47Å; Y168-A172 PolarHBondContact O-N 3.44Å
169S77.1Confident75.9Confident69 Ų69120.6 Ų120.648%0.48359%0.587SS.*Hα-helixtrans-62.6-37.1178.361.40000112.6Q165 Q166 H173Q165-S169 PolarHBondContact O-N 3.29Å; Q165-S169 PolarHBondContact O-OG 2.97Å; Q166-S169 PolarHBondContact O-OG 3.42Å; Q166-S169 VanDerWaalsContact O-OG 3.12Å; S169-H173 PolarHBondContact O-N 3.49Å; S169-H173 VanDerWaalsContact O-N 3.09Å
170Q78.1Confident76.8Confident158 Ų158117.4 Ų117.474%0.73858%0.579SS**Hα-helixtrans-68-38.9176.4-156.3177.1112.400112.1Y168 F174Y168-Q170 VanDerWaalsContact C-N 3.31Å; Y168-Q170 PolarHBondContact O-N 3.5Å; Q170-F174 PolarHBondContact O-N 2.88Å
171A76.4Confident77.4Confident59 Ų59116.7 Ų116.749%0.48858%0.576SS.*Hα-helixtrans-68.4-43174.600000112.5Q167 Y168 H173 F174 Q175Q167-A171 PolarHBondContact O-N 2.96Å; Y168-A171 PolarHBondContact O-N 3.32Å; A171-H173 VanDerWaalsContact C-N 3.31Å; A171-H173 PolarHBondContact O-N 3.01Å; A171-F174 PolarHBondContact O-N 3.31Å; A171-Q175 PolarHBondContact O-N 3.32Å
172A78.7Confident78Confident36 Ų36112.6 Ų112.630%0.29857%0.565SS.*Hα-helixtrans-61.3-38.1177.900000112.2Y168 Q175 A176Y168-A172 HydrophobicContact CE1-CB 4.47Å; Y168-A172 WeakPolarHBondContact O-CB 3.47Å; Y168-A172 PolarHBondContact O-N 3.44Å; A172-Q175 PolarHBondContact O-N 3.31Å; A172-A176 WeakPolarHBondContact O-CB 3.31Å; A172-A176 PolarHBondContact O-N 2.99Å
173H80.8Confident78.5Confident140 Ų140110.8 Ų110.865%0.64856%0.557SS**Hα-helixtrans-63.3-42.6175.6-17176.2000112.4S169 A171 A176 L177S169-H173 PolarHBondContact O-N 3.49Å; S169-H173 VanDerWaalsContact O-N 3.09Å; A171-H173 VanDerWaalsContact C-N 3.31Å; A171-H173 PolarHBondContact O-N 3.01Å; H173-A176 PolarHBondContact O-N 3.18Å; H173-L177 PolarHBondContact O-N 3.4Å
174F79.2Confident78.8Confident147 Ų147113 Ų11365%0.64556%0.561SS**Hα-helixtrans-66-39.6176-170-98.8000112.2Q170 A171 L177 Q178Q170-F174 PolarHBondContact O-N 2.88Å; A171-F174 PolarHBondContact O-N 3.31Å; F174-L177 PolarHBondContact O-N 2.82Å; F174-Q178 PolarHBondContact O-N 3.26Å; F174-Q178 VanDerWaalsContact O-N 3.07Å
175Q83.1Confident79.1Confident117 Ų117113.5 Ų113.555%0.54756%0.563SS.*Hα-helixtrans-67.1-37.1176-169177.323.500112.5A171 A172 Q178 N179A171-Q175 PolarHBondContact O-N 3.32Å; A172-Q175 PolarHBondContact O-N 3.31Å; Q175-Q178 PolarHBondContact O-N 3.49Å; Q175-N179 PolarHBondContact O-N 2.85Å; Q175-N179 PolarHBondContact O-ND2 3.49Å
176A81.8Confident79.4Confident59 Ų59109.9 Ų109.949%0.48856%0.557SS.*Hα-helixtrans-64.9-43.1174.700000111.7A172 H173 Q178 N179 Q180A172-A176 WeakPolarHBondContact O-CB 3.31Å; A172-A176 PolarHBondContact O-N 2.99Å; H173-A176 PolarHBondContact O-N 3.18Å; A176-Q178 PolarHBondContact O-N 3.47Å; A176-N179 PolarHBondContact O-N 3.49Å; A176-Q180 WeakPolarHBondContact O-CB 3.3Å; A176-Q180 PolarHBondContact O-N 2.87Å
177L85.7Confident79.7Confident81 Ų81107.9 Ų107.942%0.42455%0.553SS.*Hα-helixtrans-63.7-40.2176.7-173.365.5000112.3H173 F174 Q180 Q181H173-L177 PolarHBondContact O-N 3.4Å; F174-L177 PolarHBondContact O-N 2.82Å; L177-Q180 PolarHBondContact O-N 3.49Å; L177-Q181 PolarHBondContact O-N 2.85Å
178Q84Confident79.9Confident125 Ų125106.4 Ų106.458%0.58455%0.55SS**Hα-helixtrans-63.8-45.7174.1-177.4-179.883.800111.8F174 Q175 A176 Q180 Q181 A182F174-Q178 PolarHBondContact O-N 3.26Å; F174-Q178 VanDerWaalsContact O-N 3.07Å; Q175-Q178 PolarHBondContact O-N 3.49Å; A176-Q178 PolarHBondContact O-N 3.47Å; Q178-Q180 VanDerWaalsContact C-N 3.31Å; Q178-Q180 PolarHBondContact O-N 2.82Å; Q178-Q181 PolarHBondContact O-N 2.84Å; Q178-A182 PolarHBondContact O-N 3.4Å
179N82Confident79.7Confident96 Ų96100.9 Ų100.951%0.51354%0.541SS..Hα-helixtrans-63-36.5176.2-92.4-57.2000112.3Q175 A176 A182 Q183Q175-N179 PolarHBondContact O-N 2.85Å; Q175-N179 PolarHBondContact O-ND2 3.49Å; A176-N179 PolarHBondContact O-N 3.49Å; N179-A182 PolarHBondContact O-N 2.8Å; N179-Q183 VanDerWaalsContact O-CB 3.32Å; N179-Q183 WeakPolarHBondContact O-CB 3.33Å; N179-Q183 PolarHBondContact O-N 2.92Å
180Q81.4Confident79.9Confident104 Ų104100 Ų10049%0.48654%0.538SS..Hα-helixtrans-61.9-46176.1-168.4-173.275.300111.2A176 L177 Q178 Q183 Y184A176-Q180 WeakPolarHBondContact O-CB 3.3Å; A176-Q180 PolarHBondContact O-N 2.87Å; L177-Q180 PolarHBondContact O-N 3.49Å; Q178-Q180 VanDerWaalsContact C-N 3.31Å; Q178-Q180 PolarHBondContact O-N 2.82Å; Q180-Q183 PolarHBondContact O-N 3.48Å; Q180-Y184 HydrophobicContact CG-CD2 4.05Å; Q180-Y184 HydrophobicContact CG-CE2 3.96Å; Q180-Y184 WeakPolarHBondContact O-CD2 3.28Å; Q180-Y184 PolarHBondContact O-N 3.33Å
181Q79.6Confident80.1Confident135 Ų13595 Ų9563%0.63152%0.523SS*.Hα-helixtrans-63.2-42175.1-70.4-169.914.900112.5L177 Q178 Q183 Y184 Q185L177-Q181 PolarHBondContact O-N 2.85Å; Q178-Q181 PolarHBondContact O-N 2.84Å; Q181-Q183 VanDerWaalsContact C-N 3.32Å; Q181-Q183 PolarHBondContact O-N 3.01Å; Q181-Y184 PolarHBondContact O-N 3.15Å; Q181-Q185 PolarHBondContact O-N 3.43Å
182A78.2Confident80.3Confident48 Ų4896.9 Ų96.940%0.39753%0.525SS..Hα-helixtrans-62.1-39.1175.700000112.1Q178 N179 Q185 A186Q178-A182 PolarHBondContact O-N 3.4Å; N179-A182 PolarHBondContact O-N 2.8Å; A182-Q185 PolarHBondContact O-N 3.23Å; A182-A186 VanDerWaalsContact O-CB 3.3Å; A182-A186 WeakPolarHBondContact O-CB 3.27Å; A182-A186 PolarHBondContact O-N 3.36Å
183Q79.2Confident80.3Confident88 Ų8897.7 Ų97.741%0.41153%0.531SS..Hα-helixtrans-66.6-44.4176.4-168.6176.533.800111.6N179 Q180 Q181 Q185 A186 V187N179-Q183 VanDerWaalsContact O-CB 3.32Å; N179-Q183 WeakPolarHBondContact O-CB 3.33Å; N179-Q183 PolarHBondContact O-N 2.92Å; Q180-Q183 PolarHBondContact O-N 3.48Å; Q181-Q183 VanDerWaalsContact C-N 3.32Å; Q181-Q183 PolarHBondContact O-N 3.01Å; Q183-Q185 VanDerWaalsContact C-N 3.32Å; Q183-Q185 PolarHBondContact O-N 2.95Å; Q183-A186 PolarHBondContact O-N 3.35Å; Q183-V187 HydrophobicContact CG-CG2 4.34Å; Q183-V187 WeakPolarHBondContact O-CB 3.41Å; Q183-V187 VanDerWaalsContact O-CG2 3.27Å; Q183-V187 WeakPolarHBondContact O-CG2 3.23Å; Q183-V187 PolarHBondContact O-N 3.29Å
184Y76.3Confident80.4Confident172 Ų17296.3 Ų96.368%0.67553%0.525SS*.Hα-helixtrans-58.6-42.6173.5-90.3-74.1000112.2Q180 Q181 N188Q180-Y184 HydrophobicContact CG-CD2 4.05Å; Q180-Y184 HydrophobicContact CG-CE2 3.96Å; Q180-Y184 WeakPolarHBondContact O-CD2 3.28Å; Q180-Y184 PolarHBondContact O-N 3.33Å; Q181-Y184 PolarHBondContact O-N 3.15Å; Y184-N188 WeakPolarHBondContact O-CB 3.37Å; Y184-N188 PolarHBondContact O-N 2.89Å; Y184-N188 VanDerWaalsContact O-N 3.09Å
185Q78.3Confident80.4Confident152 Ų15295.6 Ų95.671%0.7153%0.525SS*.Hα-helixtrans-67.3-41.7177.8-164.7173.444.300112Q181 A182 Q183 A189Q181-Q185 PolarHBondContact O-N 3.43Å; A182-Q185 PolarHBondContact O-N 3.23Å; Q183-Q185 VanDerWaalsContact C-N 3.32Å; Q183-Q185 PolarHBondContact O-N 2.95Å; Q185-A189 VanDerWaalsContact O-CB 3.31Å; Q185-A189 WeakPolarHBondContact O-CB 3.15Å; Q185-A189 PolarHBondContact O-N 3.05Å
186A77.8Confident80.4Confident60 Ų6095.2 Ų95.250%0.49652%0.524SS..Hα-helixtrans-66.3-42.5177.700000112.8A182 Q183 A189 A190A182-A186 VanDerWaalsContact O-CB 3.3Å; A182-A186 WeakPolarHBondContact O-CB 3.27Å; A182-A186 PolarHBondContact O-N 3.36Å; Q183-A186 PolarHBondContact O-N 3.35Å; A186-A189 PolarHBondContact O-N 3.01Å; A186-A190 VanDerWaalsContact O-CB 3.28Å; A186-A190 WeakPolarHBondContact O-CB 3.42Å; A186-A190 PolarHBondContact O-N 3.31Å
187V80.1Confident80.5Confident93 Ų9397.4 Ų97.456%0.56452%0.524SS*.Hα-helixtrans-64.8-44.3177.4170.80000110.9Q183 A190 A191Q183-V187 HydrophobicContact CG-CG2 4.34Å; Q183-V187 WeakPolarHBondContact O-CB 3.41Å; Q183-V187 VanDerWaalsContact O-CG2 3.27Å; Q183-V187 WeakPolarHBondContact O-CG2 3.23Å; Q183-V187 PolarHBondContact O-N 3.29Å; V187-A190 PolarHBondContact O-N 3.36Å; V187-A191 WeakPolarHBondContact O-CB 3.38Å; V187-A191 PolarHBondContact O-N 3.45Å
188N81.3Confident80.5Confident122 Ų12298.3 Ų98.365%0.65253%0.528SS*.Hα-helixtrans-66.2-41.3178.7-162.211.9000111.8Y184 A191 L192Y184-N188 WeakPolarHBondContact O-CB 3.37Å; Y184-N188 PolarHBondContact O-N 2.89Å; Y184-N188 VanDerWaalsContact O-N 3.09Å; N188-A191 PolarHBondContact O-N 3Å; N188-L192 PolarHBondContact O-N 3.4Å; N188-L192 VanDerWaalsContact O-N 3.13Å
189A75.7Confident80.4Confident58 Ų5899.3 Ų99.348%0.47953%0.533SS..Hα-helixtrans-63.7-40.8173.900000112.6Q185 A186 L192 A193Q185-A189 VanDerWaalsContact O-CB 3.31Å; Q185-A189 WeakPolarHBondContact O-CB 3.15Å; Q185-A189 PolarHBondContact O-N 3.05Å; A186-A189 PolarHBondContact O-N 3.01Å; A189-L192 PolarHBondContact O-N 3.41Å; A189-A193 WeakPolarHBondContact O-CB 3.4Å; A189-A193 PolarHBondContact O-N 2.87Å
190A80.3Confident80.3Confident51 Ų51100.8 Ų100.842%0.42153%0.531SS..Hα-helixtrans-64.9-41177.100000112.4A186 V187 A193 Q194A186-A190 VanDerWaalsContact O-CB 3.28Å; A186-A190 WeakPolarHBondContact O-CB 3.42Å; A186-A190 PolarHBondContact O-N 3.31Å; V187-A190 PolarHBondContact O-N 3.36Å; A190-A193 PolarHBondContact O-N 2.89Å; A190-Q194 PolarHBondContact O-N 2.97Å
191A81.4Confident80.3Confident52 Ų52102.4 Ų102.443%0.4354%0.539SS..Hα-helixtrans-62.3-46.2176.200000112V187 N188 A193 Q194 M195V187-A191 WeakPolarHBondContact O-CB 3.38Å; V187-A191 PolarHBondContact O-N 3.45Å; N188-A191 PolarHBondContact O-N 3Å; A191-A193 PolarHBondContact O-N 3.46Å; A191-Q194 PolarHBondContact O-N 3.45Å; A191-M195 PolarHBondContact O-N 3.03Å; A191-M195 VanDerWaalsContact O-N 3.1Å
192L80.5Confident80.3Confident99 Ų99102.3 Ų102.352%0.51854%0.539SS..Hα-helixtrans-64.5-40.3176.8-175.362.9000112.1N188 A189 M195 Q196N188-L192 PolarHBondContact O-N 3.4Å; N188-L192 VanDerWaalsContact O-N 3.13Å; A189-L192 PolarHBondContact O-N 3.41Å; L192-M195 PolarHBondContact O-N 3.29Å; L192-Q196 PolarHBondContact O-N 3.12Å; L192-Q196 VanDerWaalsContact O-N 3.09Å
193A80.1Confident80.3Confident53 Ų53105.6 Ų105.644%0.43855%0.547SS..Hα-helixtrans-63.1-40.8176.700000112.4A189 A190 A191 Q196 Q197A189-A193 WeakPolarHBondContact O-CB 3.4Å; A189-A193 PolarHBondContact O-N 2.87Å; A190-A193 PolarHBondContact O-N 2.89Å; A191-A193 PolarHBondContact O-N 3.46Å; A193-Q196 PolarHBondContact O-N 3.3Å; A193-Q197 PolarHBondContact O-N 3.41Å; A193-Q197 VanDerWaalsContact O-N 3.08Å
194Q81.9Confident80.2Confident110 Ų110106.7 Ų106.751%0.51455%0.552SS.*Hα-helixtrans-64.4-41.3175.7-170.3178.944.500111.7A190 A191 Q196 Q197 L198A190-Q194 PolarHBondContact O-N 2.97Å; A191-Q194 PolarHBondContact O-N 3.45Å; Q194-Q196 PolarHBondContact O-N 3.34Å; Q194-Q197 PolarHBondContact O-N 3.29Å; Q194-L198 PolarHBondContact O-N 3.45Å
195M80.1Confident80.2Confident132 Ų132105.9 Ų105.965%0.6555%0.548SS*.Hα-helixtrans-62.6-41.3177.7-165.6-175.8-65.600111.9A191 L192 L198 Q199A191-M195 PolarHBondContact O-N 3.03Å; A191-M195 VanDerWaalsContact O-N 3.1Å; L192-M195 PolarHBondContact O-N 3.29Å; M195-L198 PolarHBondContact O-N 2.88Å; M195-Q199 PolarHBondContact O-N 3.32Å
196Q83.7Confident79.9Confident110 Ų110105.5 Ų105.551%0.51455%0.546SS..Hα-helixtrans-64.5-39.2173.8-71.5-173.330.900112.9L192 A193 Q194 L198 Q199 R200L192-Q196 PolarHBondContact O-N 3.12Å; L192-Q196 VanDerWaalsContact O-N 3.09Å; A193-Q196 PolarHBondContact O-N 3.3Å; Q194-Q196 PolarHBondContact O-N 3.34Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; Q196-L198 PolarHBondContact O-N 3.2Å; Q196-Q199 PolarHBondContact O-N 3.36Å; Q196-R200 PolarHBondContact O-N 3Å
197Q82.9Confident79.5Confident105 Ų105108.1 Ų108.149%0.49155%0.548SS..Hα-helixtrans-60.7-42.7174.4-74.3-169.5-2000112.1A193 Q194 R200 Q201A193-Q197 PolarHBondContact O-N 3.41Å; A193-Q197 VanDerWaalsContact O-N 3.08Å; Q194-Q197 PolarHBondContact O-N 3.29Å; Q197-R200 PolarHBondContact O-N 2.87Å; Q197-Q201 PolarHBondContact O-N 2.92Å; Q197-Q201 VanDerWaalsContact O-N 3.09Å
198L85Confident79Confident100 Ų100110.3 Ų110.352%0.52455%0.552SS.*Hα-helixtrans-64.5-41.9177-171.966.4000112.2Q194 M195 Q196 Q201 Q202Q194-L198 PolarHBondContact O-N 3.45Å; M195-L198 PolarHBondContact O-N 2.88Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; Q196-L198 PolarHBondContact O-N 3.2Å; L198-Q201 PolarHBondContact O-N 3.47Å; L198-Q202 PolarHBondContact O-N 2.9Å; L198-Q202 VanDerWaalsContact O-N 3.11Å
199Q82.9Confident78.1Confident145 Ų145108.8 Ų108.868%0.67854%0.541SS*.Hα-helixtrans-62.7-42.7176.7-169.3-179.584.400111.9M195 Q196 Q201 Q202 M203M195-Q199 PolarHBondContact O-N 3.32Å; Q196-Q199 PolarHBondContact O-N 3.36Å; Q199-Q201 VanDerWaalsContact C-N 3.31Å; Q199-Q201 PolarHBondContact O-N 3.12Å; Q199-Q202 PolarHBondContact O-N 3.33Å; Q199-M203 PolarHBondContact O-N 3.5Å
200R78.7Confident77.5Confident128 Ų128112.3 Ų112.348%0.48355%0.548SS..Hα-helixtrans-59.6-39.9173.3-104.2-164.564.6-127.4-9.3112.7Q196 Q197 M203 Q204Q196-R200 PolarHBondContact O-N 3Å; Q197-R200 PolarHBondContact O-N 2.87Å; R200-M203 PolarHBondContact O-N 2.91Å; R200-Q204 PolarHBondContact O-N 3.46Å; R200-Q204 VanDerWaalsContact O-N 3.11Å
201Q81.7Confident76.4Confident137 Ų137116.6 Ų116.664%0.6456%0.559SS**Hα-helixtrans-67.4-40.1-179-161.8-178.199.500111.8Q197 L198 Q199 Q204 R205Q197-Q201 PolarHBondContact O-N 2.92Å; Q197-Q201 VanDerWaalsContact O-N 3.09Å; L198-Q201 PolarHBondContact O-N 3.47Å; Q199-Q201 VanDerWaalsContact C-N 3.31Å; Q199-Q201 PolarHBondContact O-N 3.12Å; Q201-Q204 PolarHBondContact O-N 3.5Å; Q201-R205 PolarHBondContact O-N 3.05Å; Q201-R205 VanDerWaalsContact O-N 3.07Å
202Q80.8Confident75.2Confident134 Ų134121.4 Ų121.463%0.62657%0.573SS**Hα-helixtrans-62.9-43.6174.6-69.9-168.453.900112.2L198 Q199 Q204 R205 Q206L198-Q202 PolarHBondContact O-N 2.9Å; L198-Q202 VanDerWaalsContact O-N 3.11Å; Q199-Q202 PolarHBondContact O-N 3.33Å; Q202-Q204 PolarHBondContact O-N 3.13Å; Q202-R205 PolarHBondContact O-N 3.35Å; Q202-Q206 PolarHBondContact O-N 3.35Å; Q202-Q206 VanDerWaalsContact O-N 3.1Å
203M77.3Confident73.8Confident116 Ų116124.2 Ų124.257%0.57159%0.585SS**Hα-helixtrans-61.3-43.6177.5-168-143.2-69.200112Q199 R200 R205 Q206 Q207Q199-M203 PolarHBondContact O-N 3.5Å; R200-M203 PolarHBondContact O-N 2.91Å; M203-R205 PolarHBondContact O-N 3.44Å; M203-Q206 PolarHBondContact O-N 3.23Å; M203-Q207 PolarHBondContact O-N 3.36Å; M203-Q207 VanDerWaalsContact O-N 3.08Å
204Q77.7Confident72.2Confident112 Ų112125.9 Ų125.952%0.52359%0.593SS.*Hα-helixtrans-63.4-40176.5-77.7-172.8-16.700112.3R200 Q201 Q202 Q206 Q207 Q208R200-Q204 PolarHBondContact O-N 3.46Å; R200-Q204 VanDerWaalsContact O-N 3.11Å; Q201-Q204 PolarHBondContact O-N 3.5Å; Q202-Q204 PolarHBondContact O-N 3.13Å; Q204-Q206 VanDerWaalsContact C-N 3.26Å; Q204-Q206 PolarHBondContact O-N 2.99Å; Q204-Q207 PolarHBondContact O-N 3.24Å; Q204-Q208 WeakPolarHBondContact O-CB 3.35Å; Q204-Q208 PolarHBondContact O-N 3.15Å
205R76.4Confident70.4Confident154 Ų154124.7 Ų124.758%0.58159%0.594SS**Hα-helixtrans-62-32.1175.1-114.6-117.977.7-173.210.3113Q201 Q202 M203 Q209Q201-R205 PolarHBondContact O-N 3.05Å; Q201-R205 VanDerWaalsContact O-N 3.07Å; Q202-R205 PolarHBondContact O-N 3.35Å; M203-R205 PolarHBondContact O-N 3.44Å; R205-Q209 VanDerWaalsContact NH2-CG 3.28Å; R205-Q209 PolarHBondContact O-N 3.44Å
206Q72Confident68.7Low144 Ų144124.1 Ų124.167%0.67360%0.6SS**Hα-helixtrans-77-45.1179.1-157.8178.582.600111.7Q202 M203 Q204 Q208 Q209 Q210Q202-Q206 PolarHBondContact O-N 3.35Å; Q202-Q206 VanDerWaalsContact O-N 3.1Å; M203-Q206 PolarHBondContact O-N 3.23Å; Q204-Q206 VanDerWaalsContact C-N 3.26Å; Q204-Q206 PolarHBondContact O-N 2.99Å; Q206-Q208 VanDerWaalsContact C-N 3.31Å; Q206-Q208 PolarHBondContact O-N 3.32Å; Q206-Q209 PolarHBondContact O-N 3.19Å; Q206-Q210 PolarHBondContact O-N 2.91Å
207Q69.3Low66.7Low115 Ų115124.5 Ų124.554%0.53761%0.605SS.*Hα-helixtrans-59.4-39.8173.2-83.9-162.74600112.6M203 Q204 Q209 Q210 Q211M203-Q207 PolarHBondContact O-N 3.36Å; M203-Q207 VanDerWaalsContact O-N 3.08Å; Q204-Q207 PolarHBondContact O-N 3.24Å; Q207-Q209 VanDerWaalsContact C-N 3.33Å; Q207-Q209 PolarHBondContact O-N 3.26Å; Q207-Q210 PolarHBondContact O-N 2.92Å; Q207-Q211 PolarHBondContact O-N 3.39Å; Q207-Q211 VanDerWaalsContact O-N 3.1Å
208Q68.6Low64.8Low139 Ų139130.8 Ų130.865%0.6563%0.625SS**Hα-helixtrans-69.1-30-177.5-153.4178.484.800112.8Q204 Q206 Q212Q204-Q208 WeakPolarHBondContact O-CB 3.35Å; Q204-Q208 PolarHBondContact O-N 3.15Å; Q206-Q208 VanDerWaalsContact C-N 3.31Å; Q206-Q208 PolarHBondContact O-N 3.32Å; Q208-Q212 PolarHBondContact O-N 3.09Å
209Q64.1Low62.5Low90 Ų90133 Ų13342%0.42163%0.632SS.*Hα-helixtrans-70.6-39.1169.6-80.6-173.3103.500112.5R205 Q206 Q207 Q211 Q212 M213R205-Q209 VanDerWaalsContact NH2-CG 3.28Å; R205-Q209 PolarHBondContact O-N 3.44Å; Q206-Q209 PolarHBondContact O-N 3.19Å; Q207-Q209 VanDerWaalsContact C-N 3.33Å; Q207-Q209 PolarHBondContact O-N 3.26Å; Q209-Q211 VanDerWaalsContact C-N 3.32Å; Q209-Q211 PolarHBondContact O-N 3.47Å; Q209-Q212 PolarHBondContact O-N 3.49Å; Q209-Q212 VanDerWaalsContact O-N 3.16Å; Q209-M213 PolarHBondContact O-N 3.12Å; Q209-M213 VanDerWaalsContact O-N 3.12Å
210Q61.7Low60.3Low132 Ų132132.6 Ų132.662%0.61763%0.632SS**Hα-helixtrans-66.4-35.7-178.6-158171.283.600111.4Q206 Q207 Q212 M213 S214Q206-Q210 PolarHBondContact O-N 2.91Å; Q207-Q210 PolarHBondContact O-N 2.92Å; Q210-Q212 PolarHBondContact O-N 2.98Å; Q210-M213 PolarHBondContact O-N 3.5Å; Q210-S214 WeakPolarHBondContact O-CB 3.43Å; Q210-S214 PolarHBondContact O-N 2.98Å; Q210-S214 PolarHBondContact O-OG 3.34Å; Q210-S214 VanDerWaalsContact O-OG 3.08Å
211Q58Low58.2Low142 Ų142133.6 Ų133.666%0.66465%0.646SS**Hα-helixtrans-65.8-33.6171.4-74.5-165.156.100113.9Q207 Q209 S214 T215Q207-Q211 PolarHBondContact O-N 3.39Å; Q207-Q211 VanDerWaalsContact O-N 3.1Å; Q209-Q211 VanDerWaalsContact C-N 3.32Å; Q209-Q211 PolarHBondContact O-N 3.47Å; Q211-S214 CarbonylContact O-C 3.59Å; Q211-S214 PolarHBondContact O-N 3.49Å; Q211-T215 PolarHBondContact O-N 3.13Å; Q211-T215 PolarHBondContact O-OG1 3.43Å; Q211-T215 VanDerWaalsContact O-OG1 3.09Å
212Q55.4Low56Low153 Ų153137.6 Ų137.672%0.71566%0.657SS**Hα-helixtrans-65.8-44.9172.8-80.1-171.11300111.9Q208 Q209 Q210 S214 T215Q208-Q212 PolarHBondContact O-N 3.09Å; Q209-Q212 PolarHBondContact O-N 3.49Å; Q209-Q212 VanDerWaalsContact O-N 3.16Å; Q210-Q212 PolarHBondContact O-N 2.98Å; Q212-S214 VanDerWaalsContact C-N 3.3Å; Q212-S214 PolarHBondContact O-N 2.98Å; Q212-T215 PolarHBondContact O-N 3.37Å; Q212-T215 PolarHBondContact O-OG1 3.27Å
213M51.4Low53.7Low158 Ų158137.7 Ų137.778%0.77867%0.672SS**Hα-helixtrans-67.6-28.6175.6-88.3-171.2-78.200113.5Q209 Q210 T215Q209-M213 PolarHBondContact O-N 3.12Å; Q209-M213 VanDerWaalsContact O-N 3.12Å; Q210-M213 PolarHBondContact O-N 3.5Å; M213-T215 VanDerWaalsContact C-N 3.25Å; M213-T215 PolarHBondContact O-N 3.4Å
214S46.1Very low51.9Low87 Ų87136.3 Ų136.361%0.60868%0.679SS**THydrogen-bonded Turntrans-87.422.2176-58.20000114.1Q210 Q211 Q212 P216Q210-S214 WeakPolarHBondContact O-CB 3.43Å; Q210-S214 PolarHBondContact O-N 2.98Å; Q210-S214 PolarHBondContact O-OG 3.34Å; Q210-S214 VanDerWaalsContact O-OG 3.08Å; Q211-S214 CarbonylContact O-C 3.59Å; Q211-S214 PolarHBondContact O-N 3.49Å; Q212-S214 VanDerWaalsContact C-N 3.3Å; Q212-S214 PolarHBondContact O-N 2.98Å; S214-P216 WeakPolarHBondContact O-CD 3.44Å
215T44.2Very low50.2Low86 Ų86136.8 Ų136.853%0.52870%0.695SS.*  trans-96.292.8164-46.40000108.5Q211 Q212 M213 N217Q211-T215 PolarHBondContact O-N 3.13Å; Q211-T215 PolarHBondContact O-OG1 3.43Å; Q211-T215 VanDerWaalsContact O-OG1 3.09Å; Q212-T215 PolarHBondContact O-N 3.37Å; Q212-T215 PolarHBondContact O-OG1 3.27Å; M213-T215 VanDerWaalsContact C-N 3.25Å; M213-T215 PolarHBondContact O-N 3.4Å; T215-N217 HydrophobicContact CG2-CB 4.48Å; T215-N217 PolarHBondContact O-N 3.06Å
216P45.2Very low48.4Very low119 Ų119132.9 Ų132.977%0.77370%0.703SS**  trans-7665.2-17533.7-38.4000110.9S214 R218S214-P216 WeakPolarHBondContact O-CD 3.44Å; P216-R218 VanDerWaalsContact C-N 3.25Å; P216-R218 PolarHBondContact O-N 3.18Å
217N42.1Very low46.5Very low118 Ų118131.9 Ų131.963%0.63171%0.712SS**  trans-83.278.3-174.8-140.3-27.6000111.5T215 H219T215-N217 HydrophobicContact CG2-CB 4.48Å; T215-N217 PolarHBondContact O-N 3.06Å; N217-H219 PolarHBondContact O-N 3.34Å; N217-H219 PolarHBondContact OD1-CE1 3.42Å; N217-H219 PolarHBondContact OD1-ND1 2.83Å
218R42.6Very low45.2Very low238 Ų238132.3 Ų132.390%0.89872%0.724SS**  trans-58.470.5176.2-168.9-175.9-167-100.15.9112.5P216P216-R218 VanDerWaalsContact C-N 3.25Å; P216-R218 PolarHBondContact O-N 3.18Å
219H37.6Very low44.1Very low146 Ų146131.3 Ų131.368%0.67673%0.73SS**  trans-117.1100.9170-74.391.7000109.2N217N217-H219 PolarHBondContact O-N 3.34Å; N217-H219 PolarHBondContact OD1-CE1 3.42Å; N217-H219 PolarHBondContact OD1-ND1 2.83Å
220M36.1Very low43.1Very low137 Ų137134.8 Ų134.868%0.67575%0.749SS**  82.393.4102.2-72.3-89.1-8000111.2
221L33.5Very low41.5Very low149 Ų149133.5 Ų133.578%0.7876%0.755SS**  53.483.689.8-77.5139.8000112.2
222Y36Very low40.5Very low221 Ų221132.8 Ų132.887%0.86776%0.763SS**  trans-159.591.8140.2-92.7-63.8000109.8A224Y222-A224 PolarHBondContact O-N 2.96Å
223S32.7Very low39.5Very low136 Ų136129.5 Ų129.595%0.95176%0.762SS**  trans-84.696.4168.3-58.40000108.9
224A39.3Very low38.8Very low87 Ų87128.4 Ų128.472%0.71976%0.764SS**  trans-128.5121.6171.800000110Y222Y222-A224 PolarHBondContact O-N 2.96Å
225S42.8Very low38.5Very low122 Ų122132.2 Ų132.285%0.85378%0.775SS**  trans-21.5130.6174.352.50000118.8
226G37.1Very low38.1Very low72 Ų72132.2 Ų132.274%0.74278%0.779SS**SBendtrans95.594.5139.900000118
227S32.7Very low37.8Very low123 Ų123133.9 Ų133.986%0.8678%0.781SS**  trans72.2130.2158.4-57.50000118.7
228P42.8Very low37.6Very low123 Ų123132.2 Ų132.280%0.79978%0.779SS**  trans-105.1-169.9-176.449-41.5000111.1
229P44.8Very low37.6Very low118 Ų118126.2 Ų126.277%0.76677%0.771SS**  -132.8166.8-104.330.4-7.3000115.6
230I42.6Very low38Very low163 Ų163121.3 Ų121.384%0.83676%0.759SS**  trans-135.9115.5160.8-60.7-177000110.3
231S27.9Very low38.5Very low105 Ų105119.6 Ų119.673%0.73476%0.761SS**  trans32.2132.5148.8-51.10000121
232P38.4Very low39.3Very low128 Ų128120.7 Ų120.783%0.83176%0.762SS**  -129.3135.381.11110.7000112.9
233A34.9Very low40Very low84 Ų84117.6 Ų117.669%0.69476%0.756SS**  87.698.371.200000114.3
234V35.8Very low41Very low134 Ų134118 Ų11881%0.81274%0.743SS**  trans35.2100.2147.9-83.30000119.6
235I40Very low41.9Very low167 Ų167121.3 Ų121.386%0.85674%0.743SS**  trans-89.8108.7140-62.7179.1000107.5N237I235-N237 PolarHBondContact O-N 3.5Å
236S36.2Very low42.7Very low86 Ų86118.3 Ų118.360%0.60173%0.726SS**  trans-81.471.8-169.6-172.60000113.4S238S236-S238 VanDerWaalsContact C-N 3.27Å; S236-S238 PolarHBondContact O-N 2.82Å; S236-S238 VanDerWaalsContact O-N 3.09Å; S236-S238 PolarHBondContact OG-OG 3.18Å
237N37.7Very low43.9Very low154 Ų154120.6 Ų120.682%0.82472%0.72SS**  trans-80.778.4162-90.79.3000109.4I235 P239I235-N237 PolarHBondContact O-N 3.5Å; N237-P239 VanDerWaalsContact O-CD 3.23Å; N237-P239 WeakPolarHBondContact O-CD 3.35Å
238S37.8Very low45.1Very low84 Ų84117.5 Ų117.559%0.58770%0.702SS**  trans-66.8114-173.6-49.40000112.3S236 G240S236-S238 VanDerWaalsContact C-N 3.27Å; S236-S238 PolarHBondContact O-N 2.82Å; S236-S238 VanDerWaalsContact O-N 3.09Å; S236-S238 PolarHBondContact OG-OG 3.18Å; S238-G240 PolarHBondContact O-N 3.44Å
239P42.9Very low45.8Very low112 Ų112114.6 Ų114.673%0.72769%0.685SS**  trans-80.252.3172.235.9-34.5000110.6N237N237-P239 VanDerWaalsContact O-CD 3.23Å; N237-P239 WeakPolarHBondContact O-CD 3.35Å
240G45.7Very low46.6Very low42 Ų42111 Ų11143%0.43367%0.665SS.*  trans-85.3-25.9-171.600000115.2S238S238-G240 PolarHBondContact O-N 3.44Å
241S48.1Very low47.4Very low102 Ų102109.6 Ų109.671%0.71366%0.655SS**Hα-helixtrans-79.9-37.3-167.1500000114.8
242Q49.5Very low49Very low172 Ų172111 Ų11180%0.80465%0.65SS**Hα-helixtrans-78-30.3-179.7-70.5-167.1-4.100113.4Q244Q242-Q244 VanDerWaalsContact C-N 3.27Å; Q242-Q244 PolarHBondContact O-N 3.09Å
243Q51.3Low50.1Low156 Ų156109.7 Ų109.773%0.72963%0.633SS**Hα-helixtrans-69.4-27.9-178-155.2171.417.100112.2L247Q243-L247 PolarHBondContact O-N 3.07Å
244Q52.6Low51.5Low145 Ų145111 Ų11168%0.67863%0.628SS**Hα-helixtrans-74.5-31.3-177.3-150.6145.942.400113Q242 L247 A248Q242-Q244 VanDerWaalsContact C-N 3.27Å; Q242-Q244 PolarHBondContact O-N 3.09Å; Q244-L247 PolarHBondContact O-N 3.35Å; Q244-A248 PolarHBondContact O-N 3.41Å
245Q58.3Low52.6Low156 Ų156111.3 Ų111.373%0.72962%0.62SS**Hα-helixtrans-70.9-35.9176.1-166.1166.67.900112.2A248 S249Q245-A248 PolarHBondContact O-N 3.03Å; Q245-S249 PolarHBondContact O-N 3.05Å; Q245-S249 PolarHBondContact O-OG 3.41Å
246A58.8Low53.6Low59 Ų59110.1 Ų110.149%0.48861%0.611SS.*Hα-helixtrans-63.6-40.5173.800000112.2S249 A250A246-S249 PolarHBondContact O-N 3.33Å; A246-S249 PolarHBondContact O-OG 2.92Å; A246-A250 PolarHBondContact O-N 2.99Å
247L63.4Low54.8Low119 Ų119110 Ų11062%0.62360%0.603SS**Hα-helixtrans-65.6-38.6177.9-149.279.4000112.2Q243 Q244 A250 Q251Q243-L247 PolarHBondContact O-N 3.07Å; Q244-L247 PolarHBondContact O-N 3.35Å; L247-A250 PolarHBondContact O-N 3.35Å; L247-Q251 PolarHBondContact O-N 3.3Å; L247-Q251 VanDerWaalsContact O-N 3.09Å
248A57.6Low55.9Low58 Ų58109.9 Ų109.948%0.47959%0.592SS.*Hα-helixtrans-64.1-43.1176.100000112.5Q244 Q245 Q251 Q252Q244-A248 PolarHBondContact O-N 3.41Å; Q245-A248 PolarHBondContact O-N 3.03Å; A248-Q251 PolarHBondContact O-N 3.47Å; A248-Q252 PolarHBondContact O-N 3.47Å
249S58.3Low56.5Low63 Ų63108.5 Ų108.544%0.44159%0.586SS.*Hα-helixtrans-65.1-36.7174.447.40000113.1Q245 A246 Q252 Q253Q245-S249 PolarHBondContact O-N 3.05Å; Q245-S249 PolarHBondContact O-OG 3.41Å; A246-S249 PolarHBondContact O-N 3.33Å; A246-S249 PolarHBondContact O-OG 2.92Å; S249-Q252 PolarHBondContact O-N 3.42Å; S249-Q253 PolarHBondContact O-N 3.09Å
250A60.4Low56.8Low42 Ų42106 Ų10635%0.34758%0.575SS.*Hα-helixtrans-66-40.317800000112.1A246 L247 Q253 L254A246-A250 PolarHBondContact O-N 2.99Å; L247-A250 PolarHBondContact O-N 3.35Å; A250-Q253 PolarHBondContact O-N 3.41Å; A250-L254 WeakPolarHBondContact O-CB 3.36Å; A250-L254 WeakPolarHBondContact O-CG 3.5Å; A250-L254 PolarHBondContact O-N 3.47Å
251Q60.2Low56.9Low133 Ų133106.7 Ų106.762%0.62158%0.576SS**Hα-helixtrans-66.4-36.2174.4-77.5-163.6-9.200113L247 A248 L254 H255L247-Q251 PolarHBondContact O-N 3.3Å; L247-Q251 VanDerWaalsContact O-N 3.09Å; A248-Q251 PolarHBondContact O-N 3.47Å; Q251-L254 PolarHBondContact O-N 3.07Å; Q251-H255 PolarHBondContact O-N 3.23Å
252Q61.6Low56.8Low135 Ų135107.6 Ų107.663%0.63157%0.568SS**Hα-helixtrans-64.6-43.9174.6-76.2-81.5-15.100112A248 S249 H255 Q256A248-Q252 PolarHBondContact O-N 3.47Å; S249-Q252 PolarHBondContact O-N 3.42Å; Q252-H255 PolarHBondContact O-N 3.09Å; Q252-Q256 PolarHBondContact O-N 3.32Å; Q252-Q256 VanDerWaalsContact O-N 3.12Å
253Q61.6Low56.4Low100 Ų100106.9 Ų106.947%0.46757%0.565SS.*Hα-helixtrans-66.9-39.4176-75.4-177.8-51.600112.5S249 A250 H255 Q256 L257S249-Q253 PolarHBondContact O-N 3.09Å; A250-Q253 PolarHBondContact O-N 3.41Å; Q253-H255 VanDerWaalsContact C-N 3.34Å; Q253-Q256 PolarHBondContact O-N 3.1Å; Q253-L257 PolarHBondContact O-N 2.89Å
254L63.4Low56Low113 Ų113104.9 Ų104.959%0.59256%0.559SS**Hα-helixtrans-62.4-40.5172.2-79.2171.3000111.7A250 Q251 Q256 L257 Y258A250-L254 WeakPolarHBondContact O-CB 3.36Å; A250-L254 WeakPolarHBondContact O-CG 3.5Å; A250-L254 PolarHBondContact O-N 3.47Å; Q251-L254 PolarHBondContact O-N 3.07Å; L254-Q256 VanDerWaalsContact C-N 3.32Å; L254-Q256 PolarHBondContact O-N 3.37Å; L254-L257 PolarHBondContact O-N 3.07Å; L254-Y258 WeakPolarHBondContact O-CB 3.49Å; L254-Y258 PolarHBondContact O-N 3.35Å
255H59.2Low55.5Low139 Ų139103.9 Ų103.964%0.64457%0.565SS**Hα-helixtrans-61.6-37.7175.3-109.983.7000112.8Q251 Q252 Q253 A259Q251-H255 PolarHBondContact O-N 3.23Å; Q252-H255 PolarHBondContact O-N 3.09Å; Q253-H255 VanDerWaalsContact C-N 3.34Å; H255-A259 WeakPolarHBondContact O-CB 3.47Å; H255-A259 PolarHBondContact O-N 3.08Å
256Q60.6Low54.4Low142 Ų14299.8 Ų99.866%0.66457%0.565SS**Hα-helixtrans-71.4-42.2175.6-70.8-163.942.900112.9Q252 Q253 L254 Y258 A259 A260Q252-Q256 PolarHBondContact O-N 3.32Å; Q252-Q256 VanDerWaalsContact O-N 3.12Å; Q253-Q256 PolarHBondContact O-N 3.1Å; L254-Q256 VanDerWaalsContact C-N 3.32Å; L254-Q256 PolarHBondContact O-N 3.37Å; Q256-Y258 VanDerWaalsContact C-N 3.35Å; Q256-A259 PolarHBondContact O-N 3.42Å; Q256-A260 VanDerWaalsContact O-CB 3.23Å; Q256-A260 WeakPolarHBondContact O-CB 3.39Å; Q256-A260 PolarHBondContact O-N 3.05Å
257L62.4Low53.3Low83 Ų83105.2 Ų105.244%0.43558%0.582SS.*Hα-helixtrans-63.8-40.2174.7-80.2163.3000111.9Q253 L254 A261Q253-L257 PolarHBondContact O-N 2.89Å; L254-L257 PolarHBondContact O-N 3.07Å; L257-A261 VanDerWaalsContact O-CB 3.27Å; L257-A261 WeakPolarHBondContact O-CB 3.15Å; L257-A261 PolarHBondContact O-N 3.48Å
258Y60.1Low51.8Low153 Ų153107.8 Ų107.860%0.659%0.593SS**Hα-helixtrans-67.9-45.2176.9-159.4-110.7000111.2L254 Q256 A260 A261 H262L254-Y258 WeakPolarHBondContact O-CB 3.49Å; L254-Y258 PolarHBondContact O-N 3.35Å; Q256-Y258 VanDerWaalsContact C-N 3.35Å; Y258-A260 VanDerWaalsContact C-N 3.35Å; Y258-A260 PolarHBondContact O-N 3.46Å; Y258-A261 PolarHBondContact O-N 3.48Å; Y258-H262 AromaticContact CD1-CD2 3.54Å; Y258-H262 AromaticContact CD1-NE2 3.94Å; Y258-H262 AromaticContact CD2-CD2 3.84Å; Y258-H262 AromaticContact CD2-NE2 3.63Å; Y258-H262 AromaticContact CE1-CD2 3.47Å; Y258-H262 VanDerWaalsContact CE1-CD2 3.47Å; Y258-H262 WeakPolarHBondContact CE1-CD2 3.15Å; Y258-H262 AromaticContact CE1-NE2 3.49Å; Y258-H262 WeakPolarHBondContact CE1-NE2 3.49Å; Y258-H262 AromaticContact CE2-CD2 3.78Å; Y258-H262 AromaticContact CE2-NE2 3.15Å; Y258-H262 WeakPolarHBondContact CE2-NE2 3.47Å; Y258-H262 AromaticContact CG-CD2 3.72Å; Y258-H262 AromaticContact CG-NE2 3.99Å; Y258-H262 AromaticContact CZ-CD2 3.58Å; Y258-H262 AromaticContact CZ-NE2 3.06Å; Y258-H262 WeakPolarHBondContact O-CB 3.27Å; Y258-H262 PolarHBondContact O-CD2 3.23Å; Y258-H262 PolarHBondContact O-N 2.98Å; Y258-H262 PolarHBondContact OH-NE2 3.3Å
259A50.3Low50.6Low55 Ų55113.1 Ų113.146%0.45561%0.608SS.*Hα-helixtrans-65.5-34.3175.900000113.2H255 Q256 Q263H255-A259 WeakPolarHBondContact O-CB 3.47Å; H255-A259 PolarHBondContact O-N 3.08Å; Q256-A259 PolarHBondContact O-N 3.42Å; A259-Q263 PolarHBondContact O-N 2.96Å
260A49.1Very low49.4Very low60 Ų60115.9 Ų115.950%0.49662%0.622SS.*Hα-helixtrans-72.3-38.9174.500000112.2Q256 Y258 Q263Q256-A260 VanDerWaalsContact O-CB 3.23Å; Q256-A260 WeakPolarHBondContact O-CB 3.39Å; Q256-A260 PolarHBondContact O-N 3.05Å; Y258-A260 VanDerWaalsContact C-N 3.35Å; Y258-A260 PolarHBondContact O-N 3.46Å; A260-Q263 PolarHBondContact O-N 3.34Å
261A47.5Very low48.2Very low55 Ų55121.2 Ų121.246%0.45564%0.638SS.*Hα-helixtrans-68.5-34.517500000112.6L257 Y258 Q263 L264L257-A261 VanDerWaalsContact O-CB 3.27Å; L257-A261 WeakPolarHBondContact O-CB 3.15Å; L257-A261 PolarHBondContact O-N 3.48Å; Y258-A261 PolarHBondContact O-N 3.48Å; A261-Q263 VanDerWaalsContact C-N 3.33Å; A261-Q263 PolarHBondContact O-N 3.07Å; A261-L264 PolarHBondContact O-N 3.26Å
262H45.9Very low47.5Very low121 Ų121120.4 Ų120.456%0.5664%0.644SS**THydrogen-bonded Turntrans-83.4-1.8177.9-72.8-57.5000115.1Y258 L264Y258-H262 AromaticContact CD1-CD2 3.54Å; Y258-H262 AromaticContact CD1-NE2 3.94Å; Y258-H262 AromaticContact CD2-CD2 3.84Å; Y258-H262 AromaticContact CD2-NE2 3.63Å; Y258-H262 AromaticContact CE1-CD2 3.47Å; Y258-H262 VanDerWaalsContact CE1-CD2 3.47Å; Y258-H262 WeakPolarHBondContact CE1-CD2 3.15Å; Y258-H262 AromaticContact CE1-NE2 3.49Å; Y258-H262 WeakPolarHBondContact CE1-NE2 3.49Å; Y258-H262 AromaticContact CE2-CD2 3.78Å; Y258-H262 AromaticContact CE2-NE2 3.15Å; Y258-H262 WeakPolarHBondContact CE2-NE2 3.47Å; Y258-H262 AromaticContact CG-CD2 3.72Å; Y258-H262 AromaticContact CG-NE2 3.99Å; Y258-H262 AromaticContact CZ-CD2 3.58Å; Y258-H262 AromaticContact CZ-NE2 3.06Å; Y258-H262 WeakPolarHBondContact O-CB 3.27Å; Y258-H262 PolarHBondContact O-CD2 3.23Å; Y258-H262 PolarHBondContact O-N 2.98Å; Y258-H262 PolarHBondContact OH-NE2 3.3Å; H262-L264 VanDerWaalsContact C-N 3.27Å
263Q42.3Very low46.6Very low157 Ų157119.6 Ų119.673%0.73465%0.65SS**THydrogen-bonded Turntrans-90.619.8163.4-76.7-163.974.400113.5A259 A260 A261 P265A259-Q263 PolarHBondContact O-N 2.96Å; A260-Q263 PolarHBondContact O-N 3.34Å; A261-Q263 VanDerWaalsContact C-N 3.33Å; A261-Q263 PolarHBondContact O-N 3.07Å; Q263-P265 WeakPolarHBondContact O-CD 3.34Å
264L41.8Very low45.1Very low114 Ų114121 Ų12160%0.59766%0.662SS**SBendtrans-95.5102.6157.1-74.8164.9000108.9A261 H262 G266A261-L264 PolarHBondContact O-N 3.26Å; H262-L264 VanDerWaalsContact C-N 3.27Å; L264-G266 PolarHBondContact O-N 3.43Å
265P42.3Very low43.6Very low125 Ų125124.1 Ų124.181%0.81267%0.673SS**  trans-73116-178.1-15.331.5000111.2Q263Q263-P265 WeakPolarHBondContact O-CD 3.34Å
266G35.7Very low42.2Very low70 Ų70121.1 Ų121.172%0.72268%0.68SS**SBendtrans96.12414400000119.2L264L264-G266 PolarHBondContact O-N 3.43Å
267M34.8Very low41Very low173 Ų173123.5 Ų123.585%0.85269%0.691SS**  trans-146.3139.2161.614.2-157.97500113.7
268M33.8Very low39.7Very low172 Ų172129.2 Ų129.285%0.84772%0.716SS**  trans72.377.2-179.8-55.4-168.9-68.900116.5T270M268-T270 VanDerWaalsContact C-N 3.31Å; M268-T270 PolarHBondContact O-N 3.46Å
269Q31.6Very low38.4Very low170 Ų170130.9 Ų130.979%0.79473%0.729SS**  trans-60.996.9140.3-88.7-152.591.500108.9F271Q269-F271 PolarHBondContact O-N 3.11Å
270T33.1Very low38Very low122 Ų122134.3 Ų134.375%0.74875%0.749SS**  trans-82.2109.6160.5-77.60000108.3M268M268-T270 VanDerWaalsContact C-N 3.31Å; M268-T270 PolarHBondContact O-N 3.46Å
271F34.3Very low37.6Very low154 Ų154136.8 Ų136.868%0.67576%0.763SS**  trans-64.6148.8163.4-82.1-97.2000109.9Q269Q269-F271 PolarHBondContact O-N 3.11Å
272P46.3Very low37.1Very low115 Ų115141.4 Ų141.475%0.74778%0.778SS**  trans-81.4155.1-168.833.7-36.4000112.6
273P42.2Very low36.7Very low118 Ų118144.5 Ų144.577%0.76679%0.793SS**  trans-123.9123.4136.833.6-25.3000112.6
274N29.8Very low36.8Very low131 Ų131145.8 Ų145.870%0.70180%0.799SS**  trans9.9124138.6-114.6-8.3000119
275Q32.8Very low36.6Very low177 Ų177146.6 Ų146.683%0.82781%0.809SS**  43.7109.1128.7-64.4-176.477.800118
276G30.6Very low36.5Very low77 Ų77148 Ų14879%0.79481%0.808SS**  trans-78.7153.8-172.700000115.9
277Q34.2Very low36.5Very low191 Ų191154 Ų15489%0.89382%0.817SS**  trans-141.792.4145.8-74.9-161-10.400108.8
278Q34.2Very low36.4Very low204 Ų204149.8 Ų149.895%0.95381%0.81SS**  trans-166.260.1159.4-111.7171.73300112.2
279Q34.4Very low36.4Very low188 Ų188151 Ų15188%0.87981%0.813SS**  trans-120.8116150.1-82-174.1-3.900107
280S41Very low36.4Very low127 Ų127151.4 Ų151.489%0.88882%0.815SS**  trans156.777.6150.9-740000112.2
281S40.5Very low36.9Very low111 Ų111151 Ų15178%0.77682%0.815SS**SBendtrans-158.1-28164.8510000114.8Q283S281-Q283 PolarHBondContact O-N 3.22Å
282I37.7Very low37.4Very low152 Ų152151.5 Ų151.578%0.77982%0.819SS**THydrogen-bonded Turntrans-86.924.8-177.139.1172.9000116
283Q36.7Very low37.5Very low186 Ų186150.5 Ų150.587%0.86981%0.811SS**THydrogen-bonded Turntrans-109.712.3-175.1-146.4178.9107.900115.9S281S281-Q283 PolarHBondContact O-N 3.22Å
284Q44Very low37.5Very low185 Ų185152.9 Ų152.986%0.86481%0.812SS**SBendtrans-106.8-11.6178.3-78.4-153.846.500116.6
285T38.5Very low38.2Very low130 Ų130153.5 Ų153.580%0.79881%0.811SS**SBendtrans-96.52.4-172.134.90000116.3
286I40.7Very low38.8Very low155 Ų155151.4 Ų151.480%0.79580%0.801SS**  trans-102.835.2-174.4-38174.2000112.5
287Q34.2Very low39.7Very low195 Ų195154 Ų15491%0.91179%0.792SS**SBendtrans-116.68.7180-138.7177.4105.100115.3
288A34.5Very low40.7Very low85 Ų85148.9 Ų148.970%0.70277%0.774SS**SBendtrans-137.965178.400000113.1
289Q33.1Very low41.6Very low197 Ų197142 Ų14292%0.92175%0.747SS**  trans-162.478.6159.3-113.7159.989.500113
290Q31.7Very low42.5Very low179 Ų179136.1 Ų136.184%0.83672%0.722SS**  trans-91.8153.6145.4-60.1-175.220.100107.1
291P43.1Very low42.9Very low113 Ų113137.2 Ų137.273%0.73471%0.713SS**  cis-138.3115.716.235.4-13.8000115.5
292Q45.1Very low43.5Very low166 Ų166140.3 Ų140.378%0.77671%0.708SS**  trans-133-0.1167.5-90.8-85.2-42.900113.7Q294Q292-Q294 VanDerWaalsContact C-N 3.31Å; Q292-Q294 PolarHBondContact O-N 3.08Å
293V48.4Very low44.4Very low93 Ų93137.4 Ų137.456%0.56470%0.697SS**Hα-helixtrans-68.2-17.5-168-73.90000116Q297V293-Q297 PolarHBondContact O-N 3.43Å
294Q43Very low45.1Very low168 Ų168134.9 Ų134.979%0.78568%0.68SS**Hα-helixtrans-74.9-35.2-173.7-162.2168.478.300113.4Q292Q292-Q294 VanDerWaalsContact C-N 3.31Å; Q292-Q294 PolarHBondContact O-N 3.08Å
295Q43.1Very low45.8Very low145 Ų145130.4 Ų130.468%0.67867%0.665SS**Hα-helixtrans-75-35.5176.1-146.9-149100.400111.7Q297 V298 C299Q295-Q297 VanDerWaalsContact C-N 3.28Å; Q295-Q297 PolarHBondContact O-N 3.17Å; Q295-V298 PolarHBondContact O-N 3.41Å; Q295-C299 PolarHBondContact O-N 3.04Å
296Q45.8Very low46.7Very low132 Ų132129.5 Ų129.562%0.61766%0.655SS**Hα-helixtrans-66.5-25.8-178.1-159.1-176.382.200113.1N300Q296-N300 WeakPolarHBondContact O-CB 3.45Å; Q296-N300 PolarHBondContact O-N 3.09Å; Q296-N300 PolarHBondContact O-ND2 3.17Å
297Q50.6Low47.7Very low132 Ų132124.5 Ų124.562%0.61764%0.638SS**Hα-helixtrans-68.4-37.9174.6-74-178.610.300112.9V293 Q295 N300 Q301V293-Q297 PolarHBondContact O-N 3.43Å; Q295-Q297 VanDerWaalsContact C-N 3.28Å; Q295-Q297 PolarHBondContact O-N 3.17Å; Q297-N300 PolarHBondContact O-N 3.38Å; Q297-Q301 PolarHBondContact O-N 3.11Å
298V54.4Low49.1Very low83 Ų83121.5 Ų121.550%0.50362%0.623SS.*Hα-helixtrans-71.4-40.1178.6-169.70000110.9Q295 Q301 R302Q295-V298 PolarHBondContact O-N 3.41Å; V298-Q301 PolarHBondContact O-N 3.23Å; V298-R302 PolarHBondContact O-N 3.05Å
299C54.1Low50.4Low59 Ų59124 Ų12440%0.39962%0.621SS.*Hα-helixtrans-64.3-40.7172.7-69.80000111.8Q295 R302 V303Q295-C299 PolarHBondContact O-N 3.04Å; C299-R302 PolarHBondContact O-N 3.34Å; C299-V303 WeakPolarHBondContact O-CG2 3.48Å; C299-V303 PolarHBondContact O-N 3.04Å; C299-V303 VanDerWaalsContact O-N 3.07Å
300N53.3Low52.1Low66 Ų66120.6 Ų120.635%0.35361%0.608SS.*Hα-helixtrans-56.4-54.9172.6-95.4-69.1000111.6Q296 Q297 R302 V303 W304Q296-N300 WeakPolarHBondContact O-CB 3.45Å; Q296-N300 PolarHBondContact O-N 3.09Å; Q296-N300 PolarHBondContact O-ND2 3.17Å; Q297-N300 PolarHBondContact O-N 3.38Å; N300-R302 VanDerWaalsContact C-N 3.28Å; N300-R302 PolarHBondContact O-N 2.98Å; N300-V303 WeakPolarHBondContact O-CA 3.43Å; N300-V303 WeakPolarHBondContact O-CB 3.23Å; N300-V303 PolarHBondContact O-N 3.12Å; N300-W304 VanDerWaalsContact C-CD1 3.46Å; N300-W304 PolarHBondContact O-N 3.4Å
301Q47.7Very low53.7Low150 Ų150118.7 Ų118.770%0.70160%0.599SS**Hα-helixtrans-55.7-39.5-177.1-76.2-135.697.600113.4Q297 V298 W304 T305Q297-Q301 PolarHBondContact O-N 3.11Å; V298-Q301 PolarHBondContact O-N 3.23Å; Q301-W304 PolarHBondContact O-N 3.14Å; Q301-T305 PolarHBondContact O-N 3.13Å; Q301-T305 PolarHBondContact O-OG1 3.01Å
302R53.3Low54.8Low175 Ų175116.4 Ų116.466%0.6659%0.589SS**Hα-helixtrans-71.4-28.1175-75.8-162.9-77.8-136.40.6114V298 C299 N300 N306V298-R302 PolarHBondContact O-N 3.05Å; C299-R302 PolarHBondContact O-N 3.34Å; N300-R302 VanDerWaalsContact C-N 3.28Å; N300-R302 PolarHBondContact O-N 2.98Å; R302-N306 PolarHBondContact O-ND2 3.42Å
303V57.4Low55.9Low92 Ų92111.2 Ų111.256%0.55858%0.575SS**Hα-helixtrans-69.9-43.2171.4167.10000111.2C299 N300 T305 N306 A307C299-V303 WeakPolarHBondContact O-CG2 3.48Å; C299-V303 PolarHBondContact O-N 3.04Å; C299-V303 VanDerWaalsContact O-N 3.07Å; N300-V303 WeakPolarHBondContact O-CA 3.43Å; N300-V303 WeakPolarHBondContact O-CB 3.23Å; N300-V303 PolarHBondContact O-N 3.12Å; V303-T305 PolarHBondContact O-N 3.04Å; V303-N306 PolarHBondContact O-N 3.45Å; V303-A307 WeakPolarHBondContact O-CB 3.3Å; V303-A307 PolarHBondContact O-N 3.09Å
304W51Low56.9Low132 Ų132112.7 Ų112.750%0.558%0.576SS.*Hα-helixtrans-58.4-49.9179.1-70.9105.1000112.1N300 Q301 N306 A307 E308N300-W304 VanDerWaalsContact C-CD1 3.46Å; N300-W304 PolarHBondContact O-N 3.4Å; Q301-W304 PolarHBondContact O-N 3.14Å; W304-N306 VanDerWaalsContact C-N 3.34Å; W304-N306 PolarHBondContact O-N 3.37Å; W304-A307 PolarHBondContact O-N 3.1Å; W304-E308 PolarHBondContact O-N 3.31Å; W304-E308 VanDerWaalsContact O-N 3.12Å
305T59.6Low58.1Low92 Ų92111 Ų11156%0.56457%0.568SS**Hα-helixtrans-60.2-41.6-180-48.20000112.6Q301 V303 Q309Q301-T305 PolarHBondContact O-N 3.13Å; Q301-T305 PolarHBondContact O-OG1 3.01Å; V303-T305 PolarHBondContact O-N 3.04Å; T305-Q309 WeakPolarHBondContact O-CB 3.33Å; T305-Q309 PolarHBondContact O-N 3.46Å
306N57.4Low59.4Low110 Ų110110 Ų11059%0.58856%0.563SS**Hα-helixtrans-71.3-34.8179.1-73.2-16000112.5R302 V303 W304 L310R302-N306 PolarHBondContact O-ND2 3.42Å; V303-N306 PolarHBondContact O-N 3.45Å; W304-N306 VanDerWaalsContact C-N 3.34Å; W304-N306 PolarHBondContact O-N 3.37Å; N306-L310 VanDerWaalsContact O-CB 3.3Å; N306-L310 WeakPolarHBondContact O-CB 3.32Å; N306-L310 PolarHBondContact O-N 3.43Å
307A60.1Low60.5Low51 Ų51110.6 Ų110.642%0.42157%0.566SS.*Hα-helixtrans-70.1-44.8-179.400000112.6V303 W304 L310 Q311V303-A307 WeakPolarHBondContact O-CB 3.3Å; V303-A307 PolarHBondContact O-N 3.09Å; W304-A307 PolarHBondContact O-N 3.1Å; A307-L310 PolarHBondContact O-N 3.18Å; A307-Q311 WeakPolarHBondContact O-CB 3.29Å; A307-Q311 PolarHBondContact O-N 3.42Å
308E64Low61.3Low132 Ų132111 Ų11162%0.61757%0.568SS**Hα-helixtrans-64.6-41.6176.5-101.3171.181.400111.9W304 L310 Q311 A312W304-E308 PolarHBondContact O-N 3.31Å; W304-E308 VanDerWaalsContact O-N 3.12Å; E308-L310 VanDerWaalsContact C-N 3.35Å; E308-L310 PolarHBondContact O-N 3.19Å; E308-Q311 PolarHBondContact O-N 3.44Å; E308-A312 WeakPolarHBondContact O-CB 3.42Å; E308-A312 PolarHBondContact O-N 3.38Å
309Q63Low61.8Low138 Ų138113.2 Ų113.265%0.64557%0.573SS**Hα-helixtrans-65.6-37.3177.7-162.3172.515.200112.2T305 A313T305-Q309 WeakPolarHBondContact O-CB 3.33Å; T305-Q309 PolarHBondContact O-N 3.46Å; Q309-A313 WeakPolarHBondContact O-CB 3.3Å; Q309-A313 PolarHBondContact O-N 3.1Å; Q309-A313 VanDerWaalsContact O-N 3.09Å
310L67.5Low62.2Low124 Ų124116.4 Ų116.465%0.64958%0.582SS**Hα-helixtrans-68.5-39174.4-171.666.4000112.2N306 A307 E308 A313 Q314N306-L310 VanDerWaalsContact O-CB 3.3Å; N306-L310 WeakPolarHBondContact O-CB 3.32Å; N306-L310 PolarHBondContact O-N 3.43Å; A307-L310 PolarHBondContact O-N 3.18Å; E308-L310 VanDerWaalsContact C-N 3.35Å; E308-L310 PolarHBondContact O-N 3.19Å; L310-A313 PolarHBondContact O-N 3.46Å; L310-Q314 WeakPolarHBondContact O-CB 3.27Å; L310-Q314 PolarHBondContact O-N 2.98Å
311Q66.1Low62.7Low140 Ų140119.4 Ų119.465%0.65460%0.597SS**Hα-helixtrans-68.1-40.1177.8-171.3166.954.300112A307 E308 Q314 Q315A307-Q311 WeakPolarHBondContact O-CB 3.29Å; A307-Q311 PolarHBondContact O-N 3.42Å; E308-Q311 PolarHBondContact O-N 3.44Å; Q311-Q314 PolarHBondContact O-N 3.28Å; Q311-Q315 PolarHBondContact O-N 3.49Å
312A66.7Low63.2Low64 Ų64115.1 Ų115.153%0.52959%0.587SS.*Hα-helixtrans-62.3-44.3173.300000112E308 Q314 Q315 Q316E308-A312 WeakPolarHBondContact O-CB 3.42Å; E308-A312 PolarHBondContact O-N 3.38Å; A312-Q314 PolarHBondContact O-N 3.07Å; A312-Q315 PolarHBondContact O-N 3.32Å; A312-Q316 PolarHBondContact O-N 3.26Å
313A67.6Low63.3Low57 Ų57112 Ų11247%0.47159%0.587SS.*Hα-helixtrans-62-43.2176.400000112.4Q309 L310 Q316 Q317Q309-A313 WeakPolarHBondContact O-CB 3.3Å; Q309-A313 PolarHBondContact O-N 3.1Å; Q309-A313 VanDerWaalsContact O-N 3.09Å; L310-A313 PolarHBondContact O-N 3.46Å; A313-Q316 PolarHBondContact O-N 3.47Å; A313-Q317 PolarHBondContact O-N 3.44Å
314Q69.5Low62.9Low124 Ų124110.3 Ų110.358%0.57958%0.583SS**Hα-helixtrans-65.5-40.1178.3-168.2-177.185.400112.1L310 Q311 A312 Q317 Q318L310-Q314 WeakPolarHBondContact O-CB 3.27Å; L310-Q314 PolarHBondContact O-N 2.98Å; Q311-Q314 PolarHBondContact O-N 3.28Å; A312-Q314 PolarHBondContact O-N 3.07Å; Q314-Q317 PolarHBondContact O-N 2.87Å; Q314-Q318 PolarHBondContact O-N 3.36Å
315Q66.9Low62.9Low133 Ų133106.8 Ų106.862%0.62158%0.582SS**Hα-helixtrans-66.1-39.4177.1-165.9-177.294.100111.9Q311 A312 Q318 Q319Q311-Q315 PolarHBondContact O-N 3.49Å; A312-Q315 PolarHBondContact O-N 3.32Å; Q315-Q318 PolarHBondContact O-N 3.32Å; Q315-Q319 PolarHBondContact O-N 2.89Å; Q315-Q319 VanDerWaalsContact O-N 3.17Å
316Q71.1Confident62.4Low125 Ų125105.6 Ų105.658%0.58458%0.581SS**Hα-helixtrans-68.1-37.8177.1-154.7-170.328.800112.2A312 A313 Q318 Q319 Q320A312-Q316 PolarHBondContact O-N 3.26Å; A313-Q316 PolarHBondContact O-N 3.47Å; Q316-Q318 VanDerWaalsContact C-N 3.32Å; Q316-Q318 PolarHBondContact O-N 3.09Å; Q316-Q319 PolarHBondContact O-N 3.35Å; Q316-Q320 PolarHBondContact O-N 3.08Å; Q316-Q320 VanDerWaalsContact O-N 3.17Å
317Q68.7Low61.8Low143 Ų143103.4 Ų103.467%0.66858%0.579SS**Hα-helixtrans-61.6-40.7173.6-171.7-178.949.500111.5A313 Q314 Q320 L321A313-Q317 PolarHBondContact O-N 3.44Å; Q314-Q317 PolarHBondContact O-N 2.87Å; Q317-Q320 PolarHBondContact O-N 3.43Å; Q317-L321 PolarHBondContact O-N 3.49Å
318Q67.2Low61.2Low141 Ų141104 Ų10466%0.65958%0.584SS**Hα-helixtrans-67.3-36.9-179.9-159.31789600112.4Q314 Q315 Q316 L321 A322Q314-Q318 PolarHBondContact O-N 3.36Å; Q315-Q318 PolarHBondContact O-N 3.32Å; Q316-Q318 VanDerWaalsContact C-N 3.32Å; Q316-Q318 PolarHBondContact O-N 3.09Å; Q318-L321 PolarHBondContact O-N 3.12Å; Q318-A322 WeakPolarHBondContact O-CB 3.43Å; Q318-A322 PolarHBondContact O-N 3.1Å
319Q65.5Low60.3Low129 Ų129101.4 Ų101.460%0.60359%0.585SS**Hα-helixtrans-64.8-42.9172.3-77.4-170.612.900112.7Q315 Q316 L321 A322 V323Q315-Q319 PolarHBondContact O-N 2.89Å; Q315-Q319 VanDerWaalsContact O-N 3.17Å; Q316-Q319 PolarHBondContact O-N 3.35Å; Q319-L321 VanDerWaalsContact C-N 3.33Å; Q319-L321 PolarHBondContact O-N 3.16Å; Q319-A322 PolarHBondContact O-N 2.78Å; Q319-V323 WeakPolarHBondContact O-CG2 3.26Å; Q319-V323 PolarHBondContact O-N 2.75Å
320Q62.8Low59.5Low127 Ų12798.9 Ų98.959%0.59359%0.587SS**Hα-helixtrans-62.9-40.7177.6-70.1-177.740.900111.8Q316 Q317 V323 A324Q316-Q320 PolarHBondContact O-N 3.08Å; Q316-Q320 VanDerWaalsContact O-N 3.17Å; Q317-Q320 PolarHBondContact O-N 3.43Å; Q320-V323 PolarHBondContact O-N 2.9Å; Q320-A324 WeakPolarHBondContact O-CB 3.12Å; Q320-A324 PolarHBondContact O-N 3.37Å
321L63.7Low58.4Low129 Ų12996.9 Ų96.968%0.67559%0.589SS**Hα-helixtrans-66.2-37.3176.5-162.171.7000112.1Q317 Q318 Q319 A324 A325Q317-L321 PolarHBondContact O-N 3.49Å; Q318-L321 PolarHBondContact O-N 3.12Å; Q319-L321 VanDerWaalsContact C-N 3.33Å; Q319-L321 PolarHBondContact O-N 3.16Å; L321-A324 PolarHBondContact O-N 2.99Å; L321-A325 VanDerWaalsContact O-CB 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.35Å; L321-A325 PolarHBondContact O-N 3.24Å
322A57.1Low57.2Low60 Ų6099 Ų9950%0.49660%0.596SS.*Hα-helixtrans-65.9-42175.900000112.8Q318 Q319 A325 A326Q318-A322 WeakPolarHBondContact O-CB 3.43Å; Q318-A322 PolarHBondContact O-N 3.1Å; Q319-A322 PolarHBondContact O-N 2.78Å; A322-A325 PolarHBondContact O-N 3.19Å; A322-A326 PolarHBondContact O-N 2.82Å
323V55.5Low56.4Low109 Ų109100.9 Ų100.966%0.66160%0.597SS**Hα-helixtrans-66.8-41.1176175.30000111.2Q319 Q320 A326 A327Q319-V323 WeakPolarHBondContact O-CG2 3.26Å; Q319-V323 PolarHBondContact O-N 2.75Å; Q320-V323 PolarHBondContact O-N 2.9Å; V323-A326 PolarHBondContact O-N 2.72Å; V323-A327 PolarHBondContact O-N 3.28Å; V323-A327 VanDerWaalsContact O-N 3.1Å
324A50.8Low55.7Low57 Ų57102.9 Ų102.947%0.47161%0.606SS.*Hα-helixtrans-64-40.1174.900000112.5Q320 L321 A327 A328Q320-A324 WeakPolarHBondContact O-CB 3.12Å; Q320-A324 PolarHBondContact O-N 3.37Å; L321-A324 PolarHBondContact O-N 2.99Å; A324-A327 PolarHBondContact O-N 3.1Å; A324-A328 WeakPolarHBondContact O-CB 3.32Å; A324-A328 PolarHBondContact O-N 2.92Å
325A49.5Very low54.9Low57 Ų57102.7 Ų102.747%0.47161%0.609SS.*Hα-helixtrans-66.5-39.6176.700000112.6L321 A322 A328 A329L321-A325 VanDerWaalsContact O-CB 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.35Å; L321-A325 PolarHBondContact O-N 3.24Å; A322-A325 PolarHBondContact O-N 3.19Å; A325-A328 PolarHBondContact O-N 3.4Å; A325-A329 WeakPolarHBondContact O-CB 3.41Å; A325-A329 PolarHBondContact O-N 3.36Å
326A49.4Very low54.4Low67 Ų67100.2 Ų100.255%0.55461%0.606SS**Hα-helixtrans-64.3-39.8175.300000112.3A322 V323 A330A322-A326 PolarHBondContact O-N 2.82Å; V323-A326 PolarHBondContact O-N 2.72Å; A326-A330 PolarHBondContact O-N 3.49Å
327A45.7Very low53.7Low65 Ų6598.3 Ų98.354%0.53760%0.603SS.*Hα-helixtrans-65.7-40.617400000112.4V323 A324 A330 A331V323-A327 PolarHBondContact O-N 3.28Å; V323-A327 VanDerWaalsContact O-N 3.1Å; A324-A327 PolarHBondContact O-N 3.1Å; A327-A330 PolarHBondContact O-N 2.92Å; A327-A331 PolarHBondContact O-N 3.21Å
328A46.6Very low53Low63 Ų6398.3 Ų98.352%0.52160%0.603SS.*Hα-helixtrans-66-39177.100000112.8A324 A325 A330 A331A324-A328 WeakPolarHBondContact O-CB 3.32Å; A324-A328 PolarHBondContact O-N 2.92Å; A325-A328 PolarHBondContact O-N 3.4Å; A328-A330 VanDerWaalsContact C-N 3.34Å; A328-A330 PolarHBondContact O-N 3.28Å; A328-A331 PolarHBondContact O-N 3.02Å
329A46.1Very low52.6Low77 Ų7798.1 Ų98.164%0.63660%0.602SS**Hα-helixtrans-66.9-32.4178.200000113.1A325A325-A329 WeakPolarHBondContact O-CB 3.41Å; A325-A329 PolarHBondContact O-N 3.36Å
330A45Very low52.1Low85 Ų8599 Ų9970%0.70261%0.606SS**Hα-helixtrans-73.7-27.9176.300000113.3A326 A327 A328A326-A330 PolarHBondContact O-N 3.49Å; A327-A330 PolarHBondContact O-N 2.92Å; A328-A330 VanDerWaalsContact C-N 3.34Å; A328-A330 PolarHBondContact O-N 3.28Å
331A44.2Very low51.9Low82 Ų82101.2 Ų101.268%0.67861%0.61SS**Hα-helixtrans-83.5-15.6-175.600000114.6A327 A328A327-A331 PolarHBondContact O-N 3.21Å; A328-A331 PolarHBondContact O-N 3.02Å
332F42.8Very low51.6Low185 Ų185101.1 Ų101.181%0.81161%0.608SS**  trans-126.765.5-175.1-123.1-90.8000112.2P334F332-P334 VanDerWaalsContact O-CD 3.27Å; F332-P334 WeakPolarHBondContact O-CD 3.4Å
333N48.9Very low51.5Low103 Ų103105.7 Ų105.755%0.55162%0.619SS**  trans-87.5108169.4-175.7-12.5000110.3N335 S336N333-N335 PolarHBondContact O-N 3.35Å; N333-N335 PolarHBondContact OD1-N 2.92Å; N333-S336 PolarHBondContact O-OG 3.15Å
334P52.5Low51.4Low100 Ų100107.7 Ų107.765%0.64962%0.621SS**THydrogen-bonded Turntrans-71.4-10-17428.7-35.8000114.9F332 S336F332-P334 VanDerWaalsContact O-CD 3.27Å; F332-P334 WeakPolarHBondContact O-CD 3.4Å; P334-S336 VanDerWaalsContact C-N 3.34Å; P334-S336 PolarHBondContact O-N 3.48Å
335N54Low51.5Low119 Ų119113 Ų11364%0.63664%0.636SS**Hα-helixtrans-71.6-22.6-177.9-107.1-54.1000114.3N333N333-N335 PolarHBondContact O-N 3.35Å; N333-N335 PolarHBondContact OD1-N 2.92Å
336S55.8Low51.6Low81 Ų81118.9 Ų118.957%0.56665%0.654SS**Hα-helixtrans-71.8-28.2-179.753.90000113.3N333 P334N333-S336 PolarHBondContact O-OG 3.15Å; P334-S336 VanDerWaalsContact C-N 3.34Å; P334-S336 PolarHBondContact O-N 3.48Å
337V55.7Low51.3Low86 Ų86123.7 Ų123.752%0.52167%0.665SS.*Hα-helixtrans-72.7-34.7-173.4-168.30000112.3Q340 Y341V337-Q340 PolarHBondContact O-N 3.39Å; V337-Y341 PolarHBondContact O-N 3.16Å
338Q55.4Low51Low142 Ų142129.1 Ų129.166%0.66468%0.679SS**Hα-helixtrans-65.3-41.3178.9-96.3-163.2-1.200113.1Q340 Y341 M342Q338-Q340 VanDerWaalsContact C-N 3.31Å; Q338-Q340 PolarHBondContact O-N 3.37Å; Q338-Y341 PolarHBondContact O-N 3.33Å; Q338-M342 PolarHBondContact O-N 3.44Å; Q338-M342 VanDerWaalsContact O-N 3.12Å
339Q57.5Low50.9Low137 Ų137131.3 Ų131.364%0.6469%0.688SS**Hα-helixtrans-60.2-42178.5-76-79.52500111.5Q343Q339-Q343 PolarHBondContact O-N 3.33Å
340Q56.2Low50.3Low148 Ų148133 Ų13369%0.69270%0.695SS**Hα-helixtrans-71.1-32.2-179.3-160169.8-2.100112.4V337 Q338 Q344V337-Q340 PolarHBondContact O-N 3.39Å; Q338-Q340 VanDerWaalsContact C-N 3.31Å; Q338-Q340 PolarHBondContact O-N 3.37Å; Q340-Q344 PolarHBondContact O-N 3.46Å
341Y57.3Low50.1Low173 Ų173135 Ų13568%0.67870%0.701SS**Hα-helixtrans-72.7-37176.9-117.6-85.2000113.7V337 Q338V337-Y341 PolarHBondContact O-N 3.16Å; Q338-Y341 PolarHBondContact O-N 3.33Å
342M57.3Low49.3Very low127 Ų127139 Ų13963%0.62671%0.705SS**Hα-helixtrans-70.4-37.1175.5-80.8-156.5-66.400112.7Q338 Q344 Q345Q338-M342 PolarHBondContact O-N 3.44Å; Q338-M342 VanDerWaalsContact O-N 3.12Å; M342-Q344 VanDerWaalsContact C-N 3.31Å; M342-Q344 PolarHBondContact O-N 3.4Å; M342-Q345 PolarHBondContact O-N 3.35Å
343Q54.9Low48.8Very low156 Ų156136.4 Ų136.473%0.72970%0.696SS**Hα-helixtrans-69.5-28.8-178.2-149.7-172.2110.300112.8Q339Q339-Q343 PolarHBondContact O-N 3.33Å
344Q54.8Low48Very low152 Ų152138.9 Ų138.971%0.7170%0.704SS**Hα-helixtrans-73.7-26.8178.1-156.7-175.8105.500113.1Q340 M342 Q346 Q347Q340-Q344 PolarHBondContact O-N 3.46Å; M342-Q344 VanDerWaalsContact C-N 3.31Å; M342-Q344 PolarHBondContact O-N 3.4Å; Q344-Q346 VanDerWaalsContact C-N 3.3Å; Q344-Q346 PolarHBondContact O-N 3.44Å; Q344-Q347 PolarHBondContact O-N 2.95Å
345Q51.6Low47.2Very low169 Ų169142.8 Ų142.879%0.7971%0.714SS**THydrogen-bonded Turntrans-73.6-10.9-176.1-93.5-16089.200115.7M342M342-Q345 PolarHBondContact O-N 3.35Å
346Q51.6Low46.7Very low180 Ų180142.6 Ų142.684%0.84172%0.719SS**THydrogen-bonded Turntrans-931.7177.4-83.7-162.377.900115Q344Q344-Q346 VanDerWaalsContact C-N 3.3Å; Q344-Q346 PolarHBondContact O-N 3.44Å
347Q44Very low46Very low167 Ų167145.3 Ų145.378%0.7873%0.727SS**SBendtrans-10999.6174.7-70.7-173.380.200111.8Q344Q344-Q347 PolarHBondContact O-N 2.95Å
348Q38.5Very low45.1Very low180 Ų180149 Ų14984%0.84174%0.739SS**  trans-27.5172158.3-79.1-172.91800118.4
349P45.8Very low44.2Very low108 Ų108147.6 Ų147.670%0.70175%0.752SS**  cis-135.9174.1-16.327.3-5.2000115.6
350S32.5Very low43.3Very low113 Ų113144.6 Ų144.679%0.7975%0.75SS**  trans13.8136.2150.2-53.50000122.1
351P40.6Very low42.4Very low126 Ų126146.3 Ų146.382%0.81876%0.758SS**  trans-88142.6-173.335.6-35000114
352Q27Very low41.5Very low166 Ų166146 Ų14678%0.77676%0.763SS**  trans-159.4139.6148.2-119.8-172.555.900114.4
353Q33Very low40.8Very low131 Ų131152 Ų15261%0.61278%0.779SS**  trans77.6127.1154.9-59.7-170.338.100121.5
354Q32.2Very low39.7Very low156 Ų156152 Ų15273%0.72978%0.78SS**  trans66.4100.3140.5-65.8168.422.100117.2
355Q35.7Very low39.1Very low182 Ų182151.5 Ų151.585%0.8579%0.788SS**  95.8142.780.6-98.7-166.7-8.200111.8
356P43.8Very low38.4Very low115 Ų115148.6 Ų148.675%0.74778%0.778SS**  trans-95.1148-154.336.1-34.7000112.9
357N40.1Very low37.6Very low137 Ų137145.8 Ų145.873%0.73377%0.769SS**  trans-142.2115157.3-125.2-16.1000112
358Q38Very low37.4Very low163 Ų163145 Ų14576%0.76276%0.763SS**  trans58.762.8146.6-64.6173.567.100118.5A360Q358-A360 PolarHBondContact O-N 3.48Å
359A36.8Very low37.3Very low114 Ų114143.6 Ų143.694%0.94276%0.756SS**  trans-7873.6145.300000110
360A38.7Very low37.1Very low73 Ų73143.3 Ų143.360%0.60375%0.753SS**  trans-155.355.6-177.900000114.5Q358Q358-A360 PolarHBondContact O-N 3.48Å
361Q36.1Very low37.6Very low185 Ų185147.4 Ų147.486%0.86475%0.752SS**  trans167.6139.4165.1-102.9169.186.200106.3
362Q38.2Very low37.4Very low166 Ų166145.2 Ų145.278%0.77675%0.745SS**SBendcis-145.2110.315.1-51.3166.73.300109
363R42Very low38.3Very low253 Ų253147.4 Ų147.496%0.95575%0.748SS**  trans-152.526.8161.9-88.5-137.7167.5-144.4-7.1114.2
364M32.1Very low38.2Very low156 Ų156148.7 Ų148.777%0.76875%0.754SS**  trans-10979.5158.7-69.2-152.3-60.700109.6N366M364-N366 WeakPolarHBondContact O-CB 3.41Å
365T43.3Very low38.6Very low142 Ų142153.3 Ų153.387%0.87178%0.775SS**  trans-96.177.2142.7-40.30000103.2
366N37.1Very low38.8Very low107 Ų107151.9 Ų151.957%0.57277%0.771SS**  40.79270.2-87.62.9000112.4M364M364-N366 WeakPolarHBondContact O-CB 3.41Å
367D35.3Very low38.5Very low122 Ų122153.8 Ų153.865%0.65277%0.772SS**  87.9160115.4-138.4-29.5000117.5
368F37.9Very low38.4Very low151 Ų151154.7 Ų154.766%0.66277%0.774SS**  trans91.9111.2156.1-73.2-56.6000122.5
369Q38.1Very low38.5Very low150 Ų150154.2 Ų154.270%0.70178%0.775SS**  trans73.6143.9148-42.8-75.3-17.400115.1
370T41.3Very low38.6Very low102 Ų102156.8 Ų156.863%0.62677%0.765SS**SBendcis-144.413619-38.30000105.8
371Y41.5Very low38.6Very low198 Ų198162.3 Ų162.378%0.77678%0.775SS**  -158.4125.366.1-99.1-94000111.4Y373Y371-Y373 AromaticContact CD1-CD2 3.99Å; Y371-Y373 HydrophobicContact CD1-CD2 3.99Å; Y371-Y373 HydrophobicContact CD1-CE2 4.18Å; Y371-Y373 HydrophobicContact CE1-CD2 4.32Å; Y371-Y373 HydrophobicContact CE1-CE2 4.07Å
372A36.7Very low38.7Very low81 Ų81160.7 Ų160.767%0.66977%0.769SS**  trans-98.8134.9152.100000108.2
373Y47Very low38.8Very low212 Ų212160.3 Ų160.383%0.83177%0.768SS**  trans-130123.9150.8-103.4-88.5000107.8Y371Y371-Y373 AromaticContact CD1-CD2 3.99Å; Y371-Y373 HydrophobicContact CD1-CD2 3.99Å; Y371-Y373 HydrophobicContact CD1-CE2 4.18Å; Y371-Y373 HydrophobicContact CE1-CD2 4.32Å; Y371-Y373 HydrophobicContact CE1-CE2 4.07Å
374Q31.1Very low38.5Very low158 Ų158152.6 Ų152.674%0.73875%0.753SS**  trans-94.5167.2169.2-76.4-161.477.300110.1
375H40.6Very low39.1Very low252 Ų252152.3 Ų152.3100%1.16775%0.752SS**  trans82.20171.4-57.3-70.9000115.7

Retrieved 375 of 375 residues in 336.1 ms (Link to these results)