A0A096NVA6_PAPAN Loading...

Orthodenticle homeobox 2

AlphaFold DB (P32243), UniProt , Accession A0A096NVA6, Species PAPAN (Papio anubis, Olive baboon), Gene OTX2, Length 289 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
1M61.6Low58.7Low244 Ų244159.2 Ų159.2100%1.20282%0.822SS**  0104.20-73.1167.4-17600107.3
2M48.5Very low58.5Low161 Ų161155.9 Ų155.979%0.79381%0.814SS**  trans-82140.1173.8-72.985153.800109.7
3S52.7Low57.8Low105 Ų105155.7 Ų155.773%0.73481%0.814SS**  trans150149.2139.747.40000111.6
4Y61Low56.9Low205 Ų205149.3 Ų149.380%0.80481%0.805SS**  cis-164.1131.4-34.9-95.6-65.8000102.8K6Y4-K6 PolarHBondContact O-N 2.68Å
5L65.7Low56.4Low159 Ų159151.6 Ų151.683%0.83282%0.815SS**  trans-69.7119.6176.9-162.271.2000109.2Q7L5-Q7 PolarHBondContact O-N 3.35Å; L5-Q7 VanDerWaalsContact O-N 3.12Å
6K67.5Low55.7Low202 Ų202148.9 Ų148.988%0.87881%0.811SS**  trans-74.496179.1-176.8155171.9162.90110.3Y4Y4-K6 PolarHBondContact O-N 2.68Å
7Q56Low55.3Low146 Ų146150.4 Ų150.468%0.68282%0.818SS**  trans-73136.2168.6-75.2-92.6-4200110.4L5L5-Q7 PolarHBondContact O-N 3.35Å; L5-Q7 VanDerWaalsContact O-N 3.12Å
8P63.1Low55Low88 Ų88148.5 Ų148.557%0.57181%0.812SS**  trans-67.4141.3165-11.826.2000110.3Y10P8-Y10 PolarHBondContact O-N 3.21Å; P8-Y10 VanDerWaalsContact O-N 3.12Å
9P66.5Low54.8Low131 Ų131146.9 Ų146.985%0.85181%0.807SS**  trans-73.5108.2177.629.7-30.9000109.6A11P9-A11 PolarHBondContact O-N 3.07Å
10Y44.8Very low54.5Low201 Ų201144.7 Ų144.779%0.78880%0.803SS**  trans-74.4108158.1-71.6-83.6000108P8 V12P8-Y10 PolarHBondContact O-N 3.21Å; P8-Y10 VanDerWaalsContact O-N 3.12Å; Y10-V12 PolarHBondContact O-N 3.4Å
11A58.5Low54.2Low109 Ų109141.1 Ų141.190%0.90180%0.798SS**  trans-75107.6165.500000108.4P9P9-A11 PolarHBondContact O-N 3.07Å
12V55.7Low54Low120 Ų120137 Ų13773%0.72778%0.778SS**  trans-121.9148.2166.390.30000107.2Y10Y10-V12 PolarHBondContact O-N 3.4Å
13N49.8Very low54Low153 Ų153135.6 Ų135.682%0.81877%0.774SS**  trans88.9127.2-178.1-55.5-0000113.7
14G46Very low54Low66 Ų66137.1 Ų137.168%0.6877%0.773SS**  cis101.4103.533.800000107.6
15L49.4Very low53.6Low184 Ų184134.7 Ų134.796%0.96377%0.773SS**  trans11112.3154-57.9166.4000116.3
16S45Very low53Low108 Ų108136.4 Ų136.476%0.75578%0.776SS**  trans-142.7113.5150.5-171.70000108.9
17L48.8Very low52.5Low175 Ų175132 Ų13292%0.91677%0.769SS**  trans-82.7113.5161.9-77.5152.8000106.6
18T50.3Low52.4Low116 Ų116130.4 Ų130.471%0.71277%0.774SS**  trans-170.1113.3151.646.20000105.9
19T50.2Low52.3Low119 Ų119131.7 Ų131.773%0.7378%0.779SS**  89.2125.3103.6-163.70000114.4
20S49.4Very low51.5Low102 Ų102129.1 Ų129.171%0.71378%0.777SS**  trans69.5120.9161.3-52.90000116.4
21G48.8Very low52.2Low69 Ų69129 Ų12971%0.71178%0.776SS**  cis127.981.617.600000108.2
22M56Low52.4Low158 Ų158129.5 Ų129.578%0.77877%0.771SS**  trans-164.5125.5166.938.8-83168.300111
23D48Very low52.7Low131 Ų131128.2 Ų128.270%0.70177%0.773SS**  trans56.7102.4153.1-76-95.6000120.2
24L54.3Low53.5Low137 Ų137126.7 Ų126.772%0.71777%0.769SS**  89.1102.877.1-95.782.8000112.6
25L52.6Low54.4Low155 Ų155129.4 Ų129.481%0.81278%0.775SS**  trans59.592138.5-49.3179.6000118.6
26H52.2Low55.1Low194 Ų194132 Ų13290%0.89877%0.772SS**  trans-127.2111.7151.5-138-119.5000109.1
27P57.5Low56.2Low110 Ų110136.6 Ų136.671%0.71478%0.778SS**  trans-82131.7-178.231.3-30.6000111.8
28S52.6Low57.5Low113 Ų113136.1 Ų136.179%0.7977%0.771SS**  trans40.683.3153.475.90000119.1
29V61.5Low58.9Low114 Ų114140.2 Ų140.269%0.69177%0.774SS**  trans-127101.8137.6172.80000106Y31V29-Y31 VanDerWaalsContact C-N 3.33Å; V29-Y31 HydrophobicContact CG1-CD2 4.47Å; V29-Y31 HydrophobicContact CG1-CE2 4.2Å; V29-Y31 WeakPolarHBondContact O-CD2 3.27Å; V29-Y31 PolarHBondContact O-N 3.22Å
30G51.1Low60.4Low78 Ų78142.5 Ų142.580%0.80477%0.769SS**  trans-68.789.4177.500000110
31Y59.5Low62.2Low197 Ų197144.3 Ų144.377%0.77377%0.766SS**  trans-58.1130.4159.8-71.3-87000107.4V29 A33V29-Y31 VanDerWaalsContact C-N 3.33Å; V29-Y31 HydrophobicContact CG1-CD2 4.47Å; V29-Y31 HydrophobicContact CG1-CE2 4.2Å; V29-Y31 WeakPolarHBondContact O-CD2 3.27Å; V29-Y31 PolarHBondContact O-N 3.22Å; Y31-A33 PolarHBondContact O-N 2.98Å
32P60.8Low64.2Low120 Ų120151 Ų15178%0.77977%0.77SS**  trans-58.5108.9171.824.6-31.1000106.2T34P32-T34 PolarHBondContact O-N 3Å
33A62.8Low65.9Low93 Ų93145.2 Ų145.277%0.76974%0.744SS**  trans-49.8113.5178.700000106.9Y31Y31-A33 PolarHBondContact O-N 2.98Å
34T66.5Low68.2Low122 Ų122144.9 Ų144.975%0.74875%0.747SS**  trans-44.9121.7178.452.70000107.4P32 R36P32-T34 PolarHBondContact O-N 3Å; T34-R36 PolarHBondContact O-N 2.88Å
35P65.3Low70.2Confident123 Ų123141 Ų14180%0.79972%0.724SS**  trans-57.1112.6-173.320.8-31.3000107.5K37P35-K37 PolarHBondContact O-N 3.12Å
36R64.4Low72.3Confident237 Ų237137.3 Ų137.389%0.89471%0.708SS**  trans-52.6119.9178.6-59.8-166.9-143.5128.20.9106.2T34 Q38T34-R36 PolarHBondContact O-N 2.88Å; R36-Q38 PolarHBondContact O-N 3.3Å
37K66.9Low74.5Confident206 Ų206135.9 Ų135.990%0.89669%0.694SS**  trans-29.6100.2-175.3-86.9107.1171.5-176.30111.4P35 R39P35-K37 PolarHBondContact O-N 3.12Å; K37-R39 PolarHBondContact O-N 3.12Å
38Q77.6Confident76.4Confident164 Ų164133.8 Ų133.877%0.76669%0.686SS**  trans-61114.4175-177.369.318.900106.6R36 R40R36-Q38 PolarHBondContact O-N 3.3Å; Q38-R40 PolarHBondContact O-N 3.22Å; Q38-R40 VanDerWaalsContact O-N 3.17Å
39R79.8Confident78.6Confident202 Ų202129.9 Ų129.976%0.76266%0.656SS**PPolyproline II helixtrans-59.3121.9177.6-179171.9177.8-110.26.6107.9K37 E41K37-R39 PolarHBondContact O-N 3.12Å; R39-E41 PolarHBondContact O-N 3.27Å
40R80.4Confident80.4Confident167 Ų167126.6 Ų126.663%0.6363%0.634SS**PPolyproline II helixtrans-57131.3-178.8-169.6171.7-177.1-162.1-3.8110Q38 R42 S80 R81Q38-R40 PolarHBondContact O-N 3.22Å; Q38-R40 VanDerWaalsContact O-N 3.17Å; R40-R42 PolarHBondContact O-N 3.34Å; R40-S80 PolarHBondContact NH2-OG 3.42Å; R40-R81 VanDerWaalsContact CD-NH2 3.32Å
41E87.1Confident82.6Confident140 Ų140126.1 Ų126.165%0.65461%0.613SS**PPolyproline II helixtrans-54.7135.8179-64.4-54.8144.100111.6R39 R81R39-E41 PolarHBondContact O-N 3.27Å; E41-R81 PolarHBondContact O-NH1 2.94Å
42R90.6Very high84.5Confident210 Ų210118.4 Ų118.479%0.79259%0.587SS**PPolyproline II helixtrans-87.5130.6179-175.9178.7-178177.51.5109.1R40R40-R42 PolarHBondContact O-N 3.34Å
43T92.6Very high86.3Confident37 Ų37112.7 Ų112.723%0.22755%0.55CS..PPolyproline II helixtrans-87.1130.9174.9-570000110.2F45 L77 R81T43-F45 HydrophobicContact CG2-CE1 4.38Å; T43-F45 HydrophobicContact CG2-CZ 4.42Å; T43-L77 HydrophobicContact CG2-CD1 4.35Å; T43-L77 HydrophobicContact CG2-CD2 3.64Å; T43-R81 HydrophobicContact CG2-CG 4.44Å; T43-R81 VanDerWaalsContact OG1-CD 3.22Å; T43-R81 WeakPolarHBondContact OG1-CD 3.14Å; T43-R81 PolarHBondContact OG1-NH1 3.03Å
44T95.7Very high88Confident124 Ų124111.5 Ų111.576%0.76153%0.528SS*.PPolyproline II helixtrans-103.8127.1168.2-59.80000108.1
45F96.2Very high89.5Confident54 Ų54108.8 Ų108.824%0.23752%0.518CS..PPolyproline II helixtrans-88.9136-179.9-58.2-88.3000110.1T43 Q49 L50 L53 L77 W85T43-F45 HydrophobicContact CG2-CE1 4.38Å; T43-F45 HydrophobicContact CG2-CZ 4.42Å; F45-Q49 VanDerWaalsContact CA-OE1 3.32Å; F45-L50 HydrophobicContact CB-CD1 4.46Å; F45-L50 HydrophobicContact CB-CD2 3.71Å; F45-L50 HydrophobicContact CB-CG 3.82Å; F45-L50 HydrophobicContact CD2-CD2 4.42Å; F45-L50 HydrophobicContact CG-CD2 4.06Å; F45-L53 HydrophobicContact CD1-CD1 3.9Å; F45-L53 HydrophobicContact CE1-CD1 3.97Å; F45-L77 HydrophobicContact CD1-CD1 3.47Å; F45-L77 VanDerWaalsContact CD1-CD1 3.47Å; F45-L77 HydrophobicContact CE1-CD1 3.38Å; F45-W85 HydrophobicContact CE1-CB 4.48Å; F45-W85 AromaticContact CE2-CD1 3.77Å; F45-W85 HydrophobicContact CZ-CB 4.01Å; F45-W85 AromaticContact CZ-CD1 3.73Å; F45-W85 HydrophobicContact CZ-CG 4.23Å
46T98Very high91Very high78 Ų78104 Ų10448%0.47949%0.486SS..PPolyproline II helixtrans-75.2164.6168.375.80000110.3A48 Q49 L50T46-A48 PolarHBondContact O-N 2.96Å; T46-Q49 PolarHBondContact O-N 3.32Å; T46-Q49 VanDerWaalsContact OG1-CG 3.27Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.45Å; T46-Q49 PolarHBondContact OG1-N 2.73Å; T46-L50 WeakPolarHBondContact O-CG 3.49Å; T46-L50 PolarHBondContact O-N 3.06Å; T46-L50 VanDerWaalsContact O-N 3.1Å
47R98Very high92.6Very high164 Ų16493.6 Ų93.662%0.61945%0.447SS*.Hα-helixtrans-59.8-46.7179.4-17862.3-165.1-171.55.9112.3Q49 L50 D51R47-Q49 VanDerWaalsContact C-N 3.28Å; R47-Q49 PolarHBondContact O-N 3.36Å; R47-L50 WeakPolarHBondContact O-CA 3.3Å; R47-L50 WeakPolarHBondContact O-CB 3.08Å; R47-L50 PolarHBondContact O-N 3.18Å; R47-D51 IonicContact CZ-OD1 3.28Å; R47-D51 VanDerWaalsContact CZ-OD1 3.28Å; R47-D51 IonicContact NE-OD1 2.99Å; R47-D51 PolarHBondContact NE-OD1 3.34Å; R47-D51 IonicContact NE-OD2 3.7Å; R47-D51 IonicContact NH2-OD1 2.99Å; R47-D51 PolarHBondContact NH2-OD1 3.49Å; R47-D51 PolarHBondContact O-N 3.4Å
48A98Very high94.1Very high66 Ų6688 Ų8855%0.54544%0.439SS..Hα-helixtrans-59.2-37.5178.100000112.8T46 D51 V52T46-A48 PolarHBondContact O-N 2.96Å; A48-D51 PolarHBondContact O-N 2.64Å; A48-V52 PolarHBondContact O-N 3.29Å
49Q98.3Very high95.1Very high31 Ų3188.8 Ų88.815%0.14544%0.44CS..Hα-helixtrans-66.2-40.9175.2-64.3175.2-29.400111.5F45 T46 R47 V52 L53 I75F45-Q49 VanDerWaalsContact CA-OE1 3.32Å; T46-Q49 PolarHBondContact O-N 3.32Å; T46-Q49 VanDerWaalsContact OG1-CG 3.27Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.45Å; T46-Q49 PolarHBondContact OG1-N 2.73Å; R47-Q49 VanDerWaalsContact C-N 3.28Å; R47-Q49 PolarHBondContact O-N 3.36Å; Q49-V52 PolarHBondContact O-N 3.45Å; Q49-L53 WeakPolarHBondContact O-CD1 3.43Å; Q49-L53 VanDerWaalsContact O-CG 3.27Å; Q49-L53 WeakPolarHBondContact O-CG 3.48Å; Q49-L53 PolarHBondContact O-N 2.92Å; Q49-L53 VanDerWaalsContact O-N 3.09Å; Q49-I75 HydrophobicContact CB-CB 4.36Å; Q49-I75 HydrophobicContact CG-CB 4.03Å; Q49-I75 PolarHBondContact NE2-O 3.33Å
50L98.3Very high95.9Very high45 Ų4581.1 Ų81.124%0.23642%0.415CS..Hα-helixtrans-63.8-41.2175.6-68174.1000111.6F45 T46 R47 V52 L53 E54 W85F45-L50 HydrophobicContact CB-CD1 4.46Å; F45-L50 HydrophobicContact CB-CD2 3.71Å; F45-L50 HydrophobicContact CB-CG 3.82Å; F45-L50 HydrophobicContact CD2-CD2 4.42Å; F45-L50 HydrophobicContact CG-CD2 4.06Å; T46-L50 WeakPolarHBondContact O-CG 3.49Å; T46-L50 PolarHBondContact O-N 3.06Å; T46-L50 VanDerWaalsContact O-N 3.1Å; R47-L50 WeakPolarHBondContact O-CA 3.3Å; R47-L50 WeakPolarHBondContact O-CB 3.08Å; R47-L50 PolarHBondContact O-N 3.18Å; L50-V52 VanDerWaalsContact C-N 3.32Å; L50-V52 PolarHBondContact O-N 2.98Å; L50-L53 PolarHBondContact O-N 3.47Å; L50-E54 WeakPolarHBondContact O-CB 3.37Å; L50-E54 WeakPolarHBondContact O-CG 3.4Å; L50-E54 PolarHBondContact O-N 3.07Å; L50-W85 VanDerWaalsContact CD2-NE1 3.35Å
51D98.4Very high96.8Very high68 Ų6879.9 Ų79.936%0.36441%0.411SS..Hα-helixtrans-61.8-40.8179.5-62.5-36.3000111.2R47 A48 E54 A55R47-D51 IonicContact CZ-OD1 3.28Å; R47-D51 VanDerWaalsContact CZ-OD1 3.28Å; R47-D51 IonicContact NE-OD1 2.99Å; R47-D51 PolarHBondContact NE-OD1 3.34Å; R47-D51 IonicContact NE-OD2 3.7Å; R47-D51 IonicContact NH2-OD1 2.99Å; R47-D51 PolarHBondContact NH2-OD1 3.49Å; R47-D51 PolarHBondContact O-N 3.4Å; A48-D51 PolarHBondContact O-N 2.64Å; D51-E54 PolarHBondContact O-N 2.94Å; D51-A55 VanDerWaalsContact O-CB 3.3Å; D51-A55 WeakPolarHBondContact O-CB 3.4Å; D51-A55 PolarHBondContact O-N 3.49Å
52V98.2Very high97.3Very high36 Ų3680.7 Ų80.722%0.21841%0.409CS..Hα-helixtrans-63.4-45.4173.4173.40000111.9A48 Q49 L50 E54 A55 L56 V71 I75A48-V52 PolarHBondContact O-N 3.29Å; Q49-V52 PolarHBondContact O-N 3.45Å; L50-V52 VanDerWaalsContact C-N 3.32Å; L50-V52 PolarHBondContact O-N 2.98Å; V52-E54 VanDerWaalsContact C-N 3.35Å; V52-A55 PolarHBondContact O-N 3.46Å; V52-L56 PolarHBondContact O-N 3.32Å; V52-V71 HydrophobicContact CG1-CG1 3.98Å; V52-I75 HydrophobicContact CB-CG2 3.87Å; V52-I75 HydrophobicContact CG1-CG2 3.74Å; V52-I75 HydrophobicContact CG2-CG2 4.14Å
53L98.6Very high97.6Very high0 Ų071 Ų710%037%0.373CS..Hα-helixtrans-64.6-40.1179.5-72.3165.8000111.6F45 Q49 L50 L56 F57 V71 I75 V82 W85 F86F45-L53 HydrophobicContact CD1-CD1 3.9Å; F45-L53 HydrophobicContact CE1-CD1 3.97Å; Q49-L53 WeakPolarHBondContact O-CD1 3.43Å; Q49-L53 VanDerWaalsContact O-CG 3.27Å; Q49-L53 WeakPolarHBondContact O-CG 3.48Å; Q49-L53 PolarHBondContact O-N 2.92Å; Q49-L53 VanDerWaalsContact O-N 3.09Å; L50-L53 PolarHBondContact O-N 3.47Å; L53-L56 PolarHBondContact O-N 3.23Å; L53-F57 WeakPolarHBondContact O-CB 3.37Å; L53-F57 PolarHBondContact O-N 3.1Å; L53-V71 HydrophobicContact CD2-CG1 3.98Å; L53-I75 HydrophobicContact CD1-CD1 3.96Å; L53-I75 HydrophobicContact CD2-CD1 3.88Å; L53-I75 HydrophobicContact CG-CD1 3.83Å; L53-V82 HydrophobicContact CD2-CG1 3.93Å; L53-V82 HydrophobicContact CD2-CG2 4.35Å; L53-W85 HydrophobicContact CB-CD2 3.99Å; L53-W85 HydrophobicContact CB-CE3 3.96Å; L53-W85 HydrophobicContact CB-CH2 3.62Å; L53-W85 HydrophobicContact CB-CZ2 3.61Å; L53-W85 HydrophobicContact CB-CZ3 3.78Å; L53-W85 HydrophobicContact CD1-CD2 3.89Å; L53-W85 HydrophobicContact CD1-CE3 4.49Å; L53-W85 HydrophobicContact CD1-CG 3.89Å; L53-W85 HydrophobicContact CD2-CD2 4.29Å; L53-W85 HydrophobicContact CD2-CE3 4.12Å; L53-W85 HydrophobicContact CG-CD2 4.29Å; L53-W85 HydrophobicContact CG-CE3 4.43Å; L53-W85 WeakPolarHBondContact O-CH2 3.47Å; L53-F86 HydrophobicContact CD2-CE2 4.03Å
54E98.4Very high97.9Very high67 Ų6773.6 Ų73.631%0.31339%0.386SS..Hα-helixtrans-70.1-38.8176.7-71.6-167.5161.800112L50 D51 V52 L56 F57 A58 W85 R89L50-E54 WeakPolarHBondContact O-CB 3.37Å; L50-E54 WeakPolarHBondContact O-CG 3.4Å; L50-E54 PolarHBondContact O-N 3.07Å; D51-E54 PolarHBondContact O-N 2.94Å; V52-E54 VanDerWaalsContact C-N 3.35Å; E54-L56 PolarHBondContact O-N 3.36Å; E54-F57 WeakPolarHBondContact O-CB 3.35Å; E54-F57 PolarHBondContact O-N 3Å; E54-A58 PolarHBondContact O-N 3.04Å; E54-W85 HydrophobicContact CG-CH2 4Å; E54-W85 HydrophobicContact CG-CZ2 3.9Å; E54-R89 IonicContact OE1-CZ 3.08Å; E54-R89 IonicContact OE1-NH1 3.37Å; E54-R89 PolarHBondContact OE1-NH1 2.85Å
55A98.3Very high98Very high65 Ų6570.4 Ų70.454%0.53736%0.363SS..Hα-helixtrans-60.3-44.2172.500000111.7D51 V52 A58 K59D51-A55 VanDerWaalsContact O-CB 3.3Å; D51-A55 WeakPolarHBondContact O-CB 3.4Å; D51-A55 PolarHBondContact O-N 3.49Å; V52-A55 PolarHBondContact O-N 3.46Å; A55-A58 PolarHBondContact O-N 3.29Å; A55-K59 PolarHBondContact O-N 3.4Å
56L98Very high98.1Very high23 Ų2374.6 Ų74.612%0.1238%0.381CS..Hα-helixtrans-65.5-40.9174.5-17662.3000111.4V52 L53 E54 A58 K59 T60 P63 M67 V71 F86V52-L56 PolarHBondContact O-N 3.32Å; L53-L56 PolarHBondContact O-N 3.23Å; E54-L56 PolarHBondContact O-N 3.36Å; L56-A58 VanDerWaalsContact C-N 3.28Å; L56-A58 PolarHBondContact O-N 3.38Å; L56-K59 PolarHBondContact O-N 3.49Å; L56-K59 VanDerWaalsContact O-N 3.08Å; L56-T60 HydrophobicContact CD1-CG2 4.36Å; L56-T60 PolarHBondContact O-N 3.36Å; L56-P63 HydrophobicContact CD2-CB 4.09Å; L56-P63 HydrophobicContact CD2-CG 4.5Å; L56-M67 HydrophobicContact CD1-CE 3.67Å; L56-V71 HydrophobicContact CD2-CB 4.3Å; L56-V71 HydrophobicContact CD2-CG2 3.58Å; L56-F86 HydrophobicContact CB-CZ 4.08Å; L56-F86 HydrophobicContact CD2-CE2 4.03Å; L56-F86 HydrophobicContact CD2-CZ 3.65Å; L56-F86 HydrophobicContact CG-CZ 3.82Å
57F98.4Very high98.1Very high19 Ų1973.9 Ų73.98%0.08337%0.373CS..Hα-helixtrans-61.6-35.6177.7-173.7-94.5000113L53 E54 K59 T60 R61 W85 F86 R89 R90L53-F57 WeakPolarHBondContact O-CB 3.37Å; L53-F57 PolarHBondContact O-N 3.1Å; E54-F57 WeakPolarHBondContact O-CB 3.35Å; E54-F57 PolarHBondContact O-N 3Å; F57-K59 VanDerWaalsContact C-N 3.32Å; F57-T60 WeakPolarHBondContact CA-O 3.38Å; F57-T60 CarbonylContact O-C 3.48Å; F57-R61 HydrophobicContact CD2-CB 4.47Å; F57-R61 HydrophobicContact CD2-CG 4.37Å; F57-R61 HydrophobicContact CE1-CG 4.05Å; F57-R61 HydrophobicContact CE2-CB 3.95Å; F57-R61 HydrophobicContact CE2-CG 3.83Å; F57-R61 HydrophobicContact CZ-CB 4.25Å; F57-R61 HydrophobicContact CZ-CG 3.66Å; F57-W85 HydrophobicContact CB-CH2 4.16Å; F57-W85 HydrophobicContact CB-CZ3 4.14Å; F57-W85 HydrophobicContact CD2-CZ3 4.36Å; F57-F86 HydrophobicContact CB-CE1 4.06Å; F57-F86 AromaticContact CD2-CD1 3.89Å; F57-F86 HydrophobicContact CD2-CD1 3.89Å; F57-F86 AromaticContact CD2-CE1 3.83Å; F57-F86 HydrophobicContact CD2-CE1 3.83Å; F57-F86 HydrophobicContact CG-CE1 4.45Å; F57-R89 HydrophobicContact CD1-CG 4.12Å; F57-R89 HydrophobicContact CD2-CB 4.27Å; F57-R89 HydrophobicContact CD2-CG 3.56Å; F57-R89 HydrophobicContact CE1-CG 4Å; F57-R89 HydrophobicContact CE2-CB 4.08Å; F57-R89 HydrophobicContact CE2-CG 3.44Å; F57-R89 VanDerWaalsContact CE2-CG 3.44Å; F57-R89 HydrophobicContact CG-CG 3.9Å; F57-R89 HydrophobicContact CZ-CG 3.67Å; F57-R90 HydrophobicContact CE2-CG 4.02Å
58A97.9Very high98.2Very high88 Ų8868.3 Ų68.373%0.72735%0.352SS*.Hα-helixtrans-64.9-36.6173.900000111.8E54 A55 L56E54-A58 PolarHBondContact O-N 3.04Å; A55-A58 PolarHBondContact O-N 3.29Å; L56-A58 VanDerWaalsContact C-N 3.28Å; L56-A58 PolarHBondContact O-N 3.38Å
59K97.6Very high98.2Very high181 Ų18169.2 Ų69.279%0.78735%0.346SS*.Hα-helixtrans-74.7-43.1175.3-176.4159.8178160.10112.8A55 L56 F57A55-K59 PolarHBondContact O-N 3.4Å; L56-K59 PolarHBondContact O-N 3.49Å; L56-K59 VanDerWaalsContact O-N 3.08Å; F57-K59 VanDerWaalsContact C-N 3.32Å
60T97.8Very high98.2Very high40 Ų4074.3 Ų74.325%0.24537%0.369CS..  trans-152.4134.6174178.40000112.3L56 F57 Y62 P63 M67L56-T60 HydrophobicContact CD1-CG2 4.36Å; L56-T60 PolarHBondContact O-N 3.36Å; F57-T60 WeakPolarHBondContact CA-O 3.38Å; F57-T60 CarbonylContact O-C 3.48Å; T60-Y62 VanDerWaalsContact C-N 3.3Å; T60-Y62 PolarHBondContact OG1-N 3Å; T60-Y62 PolarHBondContact OG1-O 2.98Å; T60-P63 HydrophobicContact CG2-CB 4.1Å; T60-M67 HydrophobicContact CG2-CE 3.45Å; T60-M67 VanDerWaalsContact CG2-CE 3.45Å; T60-M67 HydrophobicContact CG2-SD 4.31Å
61R97.5Very high98.2Very high141 Ų14172.7 Ų72.753%0.53236%0.361SS..SBendtrans-79.5-15.7174.9-61.4-176.9177.680.9-2.7112.8F57 R90F57-R61 HydrophobicContact CD2-CB 4.47Å; F57-R61 HydrophobicContact CD2-CG 4.37Å; F57-R61 HydrophobicContact CE1-CG 4.05Å; F57-R61 HydrophobicContact CE2-CB 3.95Å; F57-R61 HydrophobicContact CE2-CG 3.83Å; F57-R61 HydrophobicContact CZ-CB 4.25Å; F57-R61 HydrophobicContact CZ-CG 3.66Å; R61-R90 WeakPolarHBondContact O-CD 3.42Å; R61-R90 PolarHBondContact O-NH1 3.46Å
62Y98.5Very high98.2Very high158 Ų15869.7 Ų69.762%0.6235%0.346SS*.SBendtrans-130.274.1-177.3-62.4-84000109.5T60 R90T60-Y62 VanDerWaalsContact C-N 3.3Å; T60-Y62 PolarHBondContact OG1-N 3Å; T60-Y62 PolarHBondContact OG1-O 2.98Å; Y62-R90 VanDerWaalsContact CZ-CD 3.41Å
63P97.9Very high98.2Very high6 Ų674.5 Ų74.54%0.03937%0.37CS..  trans-68.5141.5176.829.6-36.4000110.7L56 T60 M67 R68 F86L56-P63 HydrophobicContact CD2-CB 4.09Å; L56-P63 HydrophobicContact CD2-CG 4.5Å; T60-P63 HydrophobicContact CG2-CB 4.1Å; P63-M67 HydrophobicContact CB-CB 3.97Å; P63-M67 HydrophobicContact CB-CE 4.46Å; P63-M67 HydrophobicContact CB-SD 4.47Å; P63-R68 HydrophobicContact CB-CG 3.91Å; P63-R68 HydrophobicContact CG-CG 3.66Å; P63-R68 PolarHBondContact O-NH1 3.35Å; P63-F86 VanDerWaalsContact CD-CD1 3.47Å; P63-F86 HydrophobicContact CG-CD1 3.69Å; P63-F86 HydrophobicContact CG-CD2 3.98Å; P63-F86 HydrophobicContact CG-CE1 3.6Å; P63-F86 HydrophobicContact CG-CE2 3.91Å; P63-F86 HydrophobicContact CG-CG 3.89Å; P63-F86 HydrophobicContact CG-CZ 3.74Å
64D98.4Very high98.2Very high92 Ų9281.1 Ų81.149%0.49240%0.398SS..  trans-71169.6174-16818.6000112F66 M67 R68D64-F66 VanDerWaalsContact C-N 3.33Å; D64-F66 PolarHBondContact O-N 3.39Å; D64-M67 PolarHBondContact O-N 3.44Å; D64-R68 WeakPolarHBondContact O-CG 3.4Å; D64-R68 PolarHBondContact O-N 2.91Å
65I98.2Very high98.1Very high56 Ų5678.4 Ų78.429%0.28739%0.386SS..Hα-helixtrans-52.8-48.9179.4-173.459.3000111.6M67 R68 E69 E79I65-M67 PolarHBondContact O-N 3.4Å; I65-R68 PolarHBondContact O-N 3.33Å; I65-R68 VanDerWaalsContact O-N 3.11Å; I65-E69 HydrophobicContact CD1-CG 4.31Å; I65-E69 HydrophobicContact CG1-CG 4.45Å; I65-E69 WeakPolarHBondContact O-CG 3.38Å; I65-E69 PolarHBondContact O-N 3.01Å; I65-E79 HydrophobicContact CD1-CG 4.1Å
66F98.2Very high98.1Very high142 Ų14282.3 Ų82.362%0.62340%0.398SS*.Hα-helixtrans-62.8-42-179.4-59.2-66.5000112.5D64 R68 E69 E70D64-F66 VanDerWaalsContact C-N 3.33Å; D64-F66 PolarHBondContact O-N 3.39Å; F66-R68 VanDerWaalsContact C-N 3.29Å; F66-R68 PolarHBondContact O-N 3.24Å; F66-E69 PolarHBondContact O-N 3.09Å; F66-E70 WeakPolarHBondContact O-CB 3.34Å; F66-E70 PolarHBondContact O-N 2.94Å
67M98.1Very high98Very high63 Ų6382.4 Ų82.431%0.3140%0.399SS..Hα-helixtrans-64.6-35.8176.7-62.6178.16700111.8L56 T60 P63 D64 I65 V71L56-M67 HydrophobicContact CD1-CE 3.67Å; T60-M67 HydrophobicContact CG2-CE 3.45Å; T60-M67 VanDerWaalsContact CG2-CE 3.45Å; T60-M67 HydrophobicContact CG2-SD 4.31Å; P63-M67 HydrophobicContact CB-CB 3.97Å; P63-M67 HydrophobicContact CB-CE 4.46Å; P63-M67 HydrophobicContact CB-SD 4.47Å; D64-M67 PolarHBondContact O-N 3.44Å; I65-M67 PolarHBondContact O-N 3.4Å; M67-V71 PolarHBondContact O-N 3.37Å
68R98.6Very high98Very high47 Ų4785.1 Ų85.118%0.17742%0.418CS..Hα-helixtrans-71.2-41.4176.6-68.5-165.7-53.7-88.9-0.1111.4P63 D64 I65 F66 V71 A72 E79 V82P63-R68 HydrophobicContact CB-CG 3.91Å; P63-R68 HydrophobicContact CG-CG 3.66Å; P63-R68 PolarHBondContact O-NH1 3.35Å; D64-R68 WeakPolarHBondContact O-CG 3.4Å; D64-R68 PolarHBondContact O-N 2.91Å; I65-R68 PolarHBondContact O-N 3.33Å; I65-R68 VanDerWaalsContact O-N 3.11Å; F66-R68 VanDerWaalsContact C-N 3.29Å; F66-R68 PolarHBondContact O-N 3.24Å; R68-V71 PolarHBondContact O-N 3.06Å; R68-A72 WeakPolarHBondContact O-CB 3.23Å; R68-A72 PolarHBondContact O-N 2.9Å; R68-E79 HydrophobicContact CB-CG 4.1Å; R68-E79 IonicContact CZ-OE1 3.86Å; R68-E79 IonicContact NE-OE1 3.31Å; R68-E79 PolarHBondContact NE-OE1 3.02Å; R68-E79 IonicContact NH2-OE1 2.75Å; R68-E79 PolarHBondContact NH2-OE1 2.94Å; R68-E79 VanDerWaalsContact NH2-OE1 3.08Å; R68-V82 HydrophobicContact CB-CG1 4.18Å; R68-V82 HydrophobicContact CG-CG1 4.15Å
69E98.6Very high98Very high86 Ų8683 Ų8340%0.40239%0.393SS..Hα-helixtrans-63.1-44.8176.6-72.6178.7155.600111.9I65 F66 V71 A72 L73 E79I65-E69 HydrophobicContact CD1-CG 4.31Å; I65-E69 HydrophobicContact CG1-CG 4.45Å; I65-E69 WeakPolarHBondContact O-CG 3.38Å; I65-E69 PolarHBondContact O-N 3.01Å; F66-E69 PolarHBondContact O-N 3.09Å; E69-V71 PolarHBondContact O-N 3.5Å; E69-A72 WeakPolarHBondContact O-CB 3.49Å; E69-A72 PolarHBondContact O-N 3.32Å; E69-L73 WeakPolarHBondContact O-CG 3.38Å; E69-L73 PolarHBondContact O-N 3.08Å; E69-E79 HydrophobicContact CG-CB 4.45Å; E69-E79 HydrophobicContact CG-CG 4.01Å
70E98.3Very high97.9Very high138 Ų13875.9 Ų75.965%0.64537%0.366SS*.Hα-helixtrans-57.3-48.2175.9-172.9-169.616700111.6F66 K74F66-E70 WeakPolarHBondContact O-CB 3.34Å; F66-E70 PolarHBondContact O-N 2.94Å; E70-K74 WeakPolarHBondContact O-CB 3.47Å; E70-K74 PolarHBondContact O-N 2.75Å
71V98.2Very high97.9Very high10 Ų1075.8 Ų75.86%0.06136%0.361CS..Hα-helixtrans-67.6-39.9177.4168.50000111.9V52 L53 L56 M67 R68 E69 L73 K74 I75V52-V71 HydrophobicContact CG1-CG1 3.98Å; L53-V71 HydrophobicContact CD2-CG1 3.98Å; L56-V71 HydrophobicContact CD2-CB 4.3Å; L56-V71 HydrophobicContact CD2-CG2 3.58Å; M67-V71 PolarHBondContact O-N 3.37Å; R68-V71 PolarHBondContact O-N 3.06Å; E69-V71 PolarHBondContact O-N 3.5Å; V71-L73 VanDerWaalsContact C-N 3.32Å; V71-L73 PolarHBondContact O-N 3.4Å; V71-K74 PolarHBondContact O-N 2.84Å; V71-K74 VanDerWaalsContact O-N 3.14Å; V71-I75 HydrophobicContact CG1-CD1 3.93Å; V71-I75 HydrophobicContact CG1-CG1 4.47Å; V71-I75 HydrophobicContact CG1-CG2 4.43Å; V71-I75 VanDerWaalsContact O-CG1 3.29Å; V71-I75 WeakPolarHBondContact O-CG1 3.33Å; V71-I75 PolarHBondContact O-N 3.11Å
72A98.3Very high98Very high6 Ų669.1 Ų69.15%0.0534%0.336CS..Hα-helixtrans-57.3-45.9178.200000111.5R68 E69 N76 L77 E79 V82R68-A72 WeakPolarHBondContact O-CB 3.23Å; R68-A72 PolarHBondContact O-N 2.9Å; E69-A72 WeakPolarHBondContact O-CB 3.49Å; E69-A72 PolarHBondContact O-N 3.32Å; A72-N76 PolarHBondContact O-N 3.39Å; A72-N76 VanDerWaalsContact O-N 3.07Å; A72-L77 CarbonylContact C-O 3.6Å; A72-L77 WeakPolarHBondContact CB-O 3.47Å; A72-L77 PolarHBondContact O-N 3.25Å; A72-E79 HydrophobicContact CB-CB 4.32Å; A72-V82 HydrophobicContact CB-CG2 3.87Å
73L98.2Very high97.9Very high137 Ų13766.3 Ų66.372%0.71733%0.329SS*.Hα-helixtrans-61.5-48.4172.7-68.8172.5000111.2E69 V71 I75 N76E69-L73 WeakPolarHBondContact O-CG 3.38Å; E69-L73 PolarHBondContact O-N 3.08Å; V71-L73 VanDerWaalsContact C-N 3.32Å; V71-L73 PolarHBondContact O-N 3.4Å; L73-I75 VanDerWaalsContact C-N 3.29Å; L73-I75 PolarHBondContact O-N 2.99Å; L73-N76 PolarHBondContact O-N 3.41Å
74K97.8Very high97.9Very high138 Ų13868.8 Ų68.860%0.634%0.344SS*.Hα-helixtrans-58.8-37.1-178.6-169.5168.776.7173.70113.5E70 V71E70-K74 WeakPolarHBondContact O-CB 3.47Å; E70-K74 PolarHBondContact O-N 2.75Å; V71-K74 PolarHBondContact O-N 2.84Å; V71-K74 VanDerWaalsContact O-N 3.14Å
75I97.6Very high97.9Very high11 Ų1165.6 Ų65.66%0.05633%0.325CS..THydrogen-bonded Turntrans-101.47.2-176.974-175.1000113.9Q49 V52 L53 V71 L73 L77 V82Q49-I75 HydrophobicContact CB-CB 4.36Å; Q49-I75 HydrophobicContact CG-CB 4.03Å; Q49-I75 PolarHBondContact NE2-O 3.33Å; V52-I75 HydrophobicContact CB-CG2 3.87Å; V52-I75 HydrophobicContact CG1-CG2 3.74Å; V52-I75 HydrophobicContact CG2-CG2 4.14Å; L53-I75 HydrophobicContact CD1-CD1 3.96Å; L53-I75 HydrophobicContact CD2-CD1 3.88Å; L53-I75 HydrophobicContact CG-CD1 3.83Å; V71-I75 HydrophobicContact CG1-CD1 3.93Å; V71-I75 HydrophobicContact CG1-CG1 4.47Å; V71-I75 HydrophobicContact CG1-CG2 4.43Å; V71-I75 VanDerWaalsContact O-CG1 3.29Å; V71-I75 WeakPolarHBondContact O-CG1 3.33Å; V71-I75 PolarHBondContact O-N 3.11Å; L73-I75 VanDerWaalsContact C-N 3.29Å; L73-I75 PolarHBondContact O-N 2.99Å; I75-L77 HydrophobicContact CD1-CD1 3.79Å; I75-L77 HydrophobicContact CD1-CG 4.38Å; I75-L77 HydrophobicContact CG1-CB 4.07Å; I75-L77 HydrophobicContact CG1-CD1 3.94Å; I75-L77 HydrophobicContact CG1-CG 3.98Å; I75-V82 HydrophobicContact CD1-CG2 4.26Å
76N97.9Very high98Very high146 Ų14663 Ų6378%0.78131%0.312SS*.THydrogen-bonded Turntrans53.249.7-178.6-69.6-79.7000113.6A72 L73A72-N76 PolarHBondContact O-N 3.39Å; A72-N76 VanDerWaalsContact O-N 3.07Å; L73-N76 PolarHBondContact O-N 3.41Å
77L96.4Very high98Very high26 Ų2662.2 Ų62.214%0.13631%0.308CS..  trans-128.2154175.6-67.7-179.8000110.9T43 F45 A72 I75 R81T43-L77 HydrophobicContact CG2-CD1 4.35Å; T43-L77 HydrophobicContact CG2-CD2 3.64Å; F45-L77 HydrophobicContact CD1-CD1 3.47Å; F45-L77 VanDerWaalsContact CD1-CD1 3.47Å; F45-L77 HydrophobicContact CE1-CD1 3.38Å; A72-L77 CarbonylContact C-O 3.6Å; A72-L77 WeakPolarHBondContact CB-O 3.47Å; A72-L77 PolarHBondContact O-N 3.25Å; I75-L77 HydrophobicContact CD1-CD1 3.79Å; I75-L77 HydrophobicContact CD1-CG 4.38Å; I75-L77 HydrophobicContact CG1-CB 4.07Å; I75-L77 HydrophobicContact CG1-CD1 3.94Å; I75-L77 HydrophobicContact CG1-CG 3.98Å; L77-R81 HydrophobicContact CB-CB 4.45Å
78P97.1Very high98Very high75 Ų7563.9 Ų63.949%0.48732%0.318SS..  trans-61.6142.2169.6-21.332000111.4S80 R81 V82P78-S80 PolarHBondContact O-N 3.29Å; P78-S80 VanDerWaalsContact O-N 3.13Å; P78-R81 HydrophobicContact CB-CG 4.29Å; P78-R81 HydrophobicContact CG-CG 4.22Å; P78-R81 WeakPolarHBondContact O-CA 3.45Å; P78-R81 VanDerWaalsContact O-CB 3.31Å; P78-R81 WeakPolarHBondContact O-CB 3.46Å; P78-R81 PolarHBondContact O-N 2.89Å; P78-V82 PolarHBondContact O-N 3.38Å
79E98.1Very high97.9Very high43 Ų4365.2 Ų65.220%0.20132%0.323CS..Hα-helixtrans-49.6-42.3175.3-178.2-78.1159.900111.5I65 R68 E69 A72 R81 V82 Q83I65-E79 HydrophobicContact CD1-CG 4.1Å; R68-E79 HydrophobicContact CB-CG 4.1Å; R68-E79 IonicContact CZ-OE1 3.86Å; R68-E79 IonicContact NE-OE1 3.31Å; R68-E79 PolarHBondContact NE-OE1 3.02Å; R68-E79 IonicContact NH2-OE1 2.75Å; R68-E79 PolarHBondContact NH2-OE1 2.94Å; R68-E79 VanDerWaalsContact NH2-OE1 3.08Å; E69-E79 HydrophobicContact CG-CB 4.45Å; E69-E79 HydrophobicContact CG-CG 4.01Å; A72-E79 HydrophobicContact CB-CB 4.32Å; E79-R81 PolarHBondContact O-N 3.3Å; E79-V82 CarbonylContact O-C 3.38Å; E79-V82 WeakPolarHBondContact O-CA 3.35Å; E79-V82 WeakPolarHBondContact O-CB 3.35Å; E79-V82 PolarHBondContact O-N 3.08Å; E79-Q83 PolarHBondContact O-N 2.83Å
80S97.2Very high97.9Very high33 Ų3363.7 Ų63.723%0.23131%0.313CS..Hα-helixtrans-57.8-26.8178.6680000113.5R40 P78 V84R40-S80 PolarHBondContact NH2-OG 3.42Å; P78-S80 PolarHBondContact O-N 3.29Å; P78-S80 VanDerWaalsContact O-N 3.13Å; S80-V84 WeakPolarHBondContact O-CB 3.42Å; S80-V84 VanDerWaalsContact O-CG2 3.23Å; S80-V84 WeakPolarHBondContact O-CG2 3.36Å; S80-V84 PolarHBondContact O-N 3.44Å
81R97.6Very high97.9Very high38 Ų3858.3 Ų58.314%0.14329%0.292CS..Hα-helixtrans-75.3-39.2174.8-66.3-63133.1125.6-14.8112.2R40 E41 T43 L77 P78 E79 V84 W85R40-R81 VanDerWaalsContact CD-NH2 3.32Å; E41-R81 PolarHBondContact O-NH1 2.94Å; T43-R81 HydrophobicContact CG2-CG 4.44Å; T43-R81 VanDerWaalsContact OG1-CD 3.22Å; T43-R81 WeakPolarHBondContact OG1-CD 3.14Å; T43-R81 PolarHBondContact OG1-NH1 3.03Å; L77-R81 HydrophobicContact CB-CB 4.45Å; P78-R81 HydrophobicContact CB-CG 4.29Å; P78-R81 HydrophobicContact CG-CG 4.22Å; P78-R81 WeakPolarHBondContact O-CA 3.45Å; P78-R81 VanDerWaalsContact O-CB 3.31Å; P78-R81 WeakPolarHBondContact O-CB 3.46Å; P78-R81 PolarHBondContact O-N 2.89Å; E79-R81 PolarHBondContact O-N 3.3Å; R81-V84 PolarHBondContact O-N 2.89Å; R81-W85 WeakPolarHBondContact O-CB 3.44Å; R81-W85 PolarHBondContact O-N 3.46Å
82V98.1Very high97.9Very high0 Ų064 Ų640%032%0.316CS..Hα-helixtrans-61.8-48.2171.5-178.60000109.6L53 R68 A72 I75 P78 E79 V84 W85 F86L53-V82 HydrophobicContact CD2-CG1 3.93Å; L53-V82 HydrophobicContact CD2-CG2 4.35Å; R68-V82 HydrophobicContact CB-CG1 4.18Å; R68-V82 HydrophobicContact CG-CG1 4.15Å; A72-V82 HydrophobicContact CB-CG2 3.87Å; I75-V82 HydrophobicContact CD1-CG2 4.26Å; P78-V82 PolarHBondContact O-N 3.38Å; E79-V82 CarbonylContact O-C 3.38Å; E79-V82 WeakPolarHBondContact O-CA 3.35Å; E79-V82 WeakPolarHBondContact O-CB 3.35Å; E79-V82 PolarHBondContact O-N 3.08Å; V82-V84 PolarHBondContact O-N 3.14Å; V82-W85 WeakPolarHBondContact O-CB 3.37Å; V82-W85 PolarHBondContact O-N 3.37Å; V82-W85 VanDerWaalsContact O-N 3.14Å; V82-F86 HydrophobicContact CG1-CD2 3.68Å; V82-F86 HydrophobicContact CG1-CE2 3.7Å; V82-F86 WeakPolarHBondContact O-CD2 3.35Å; V82-F86 PolarHBondContact O-N 2.82Å
83Q98Very high97.7Very high100 Ų10065.8 Ų65.847%0.46733%0.328SS..Hα-helixtrans-55.5-48.7176.6-177.7-175.7-23.300112.4E79 W85 F86 K87E79-Q83 PolarHBondContact O-N 2.83Å; Q83-W85 VanDerWaalsContact C-N 3.35Å; Q83-F86 PolarHBondContact O-N 3.02Å; Q83-K87 PolarHBondContact O-N 3.07Å
84V97.9Very high97.6Very high58 Ų5865.6 Ų65.635%0.35232%0.318SS..Hα-helixtrans-64.4-40.3178171.30000111.3S80 R81 V82 K87 N88S80-V84 WeakPolarHBondContact O-CB 3.42Å; S80-V84 VanDerWaalsContact O-CG2 3.23Å; S80-V84 WeakPolarHBondContact O-CG2 3.36Å; S80-V84 PolarHBondContact O-N 3.44Å; R81-V84 PolarHBondContact O-N 2.89Å; V82-V84 PolarHBondContact O-N 3.14Å; V84-K87 PolarHBondContact O-N 3.13Å; V84-N88 PolarHBondContact O-N 2.89Å
85W98.3Very high97.4Very high25 Ų2565 Ų6510%0.09532%0.318CS..Hα-helixtrans-59.7-48.7175.9-175.499.5000111.3F45 L50 L53 E54 F57 R81 V82 Q83 K87 N88 R89F45-W85 HydrophobicContact CE1-CB 4.48Å; F45-W85 AromaticContact CE2-CD1 3.77Å; F45-W85 HydrophobicContact CZ-CB 4.01Å; F45-W85 AromaticContact CZ-CD1 3.73Å; F45-W85 HydrophobicContact CZ-CG 4.23Å; L50-W85 VanDerWaalsContact CD2-NE1 3.35Å; L53-W85 HydrophobicContact CB-CD2 3.99Å; L53-W85 HydrophobicContact CB-CE3 3.96Å; L53-W85 HydrophobicContact CB-CH2 3.62Å; L53-W85 HydrophobicContact CB-CZ2 3.61Å; L53-W85 HydrophobicContact CB-CZ3 3.78Å; L53-W85 HydrophobicContact CD1-CD2 3.89Å; L53-W85 HydrophobicContact CD1-CE3 4.49Å; L53-W85 HydrophobicContact CD1-CG 3.89Å; L53-W85 HydrophobicContact CD2-CD2 4.29Å; L53-W85 HydrophobicContact CD2-CE3 4.12Å; L53-W85 HydrophobicContact CG-CD2 4.29Å; L53-W85 HydrophobicContact CG-CE3 4.43Å; L53-W85 WeakPolarHBondContact O-CH2 3.47Å; E54-W85 HydrophobicContact CG-CH2 4Å; E54-W85 HydrophobicContact CG-CZ2 3.9Å; F57-W85 HydrophobicContact CB-CH2 4.16Å; F57-W85 HydrophobicContact CB-CZ3 4.14Å; F57-W85 HydrophobicContact CD2-CZ3 4.36Å; R81-W85 WeakPolarHBondContact O-CB 3.44Å; R81-W85 PolarHBondContact O-N 3.46Å; V82-W85 WeakPolarHBondContact O-CB 3.37Å; V82-W85 PolarHBondContact O-N 3.37Å; V82-W85 VanDerWaalsContact O-N 3.14Å; Q83-W85 VanDerWaalsContact C-N 3.35Å; W85-K87 VanDerWaalsContact C-N 3.33Å; W85-K87 PolarHBondContact O-N 2.88Å; W85-N88 PolarHBondContact O-N 3.31Å; W85-R89 HydrophobicContact CE3-CB 4.17Å; W85-R89 HydrophobicContact CH2-CB 4.16Å; W85-R89 HydrophobicContact CH2-CG 3.85Å; W85-R89 HydrophobicContact CZ2-CG 4.4Å; W85-R89 HydrophobicContact CZ3-CB 3.97Å; W85-R89 HydrophobicContact CZ3-CG 4.01Å; W85-R89 WeakPolarHBondContact O-CB 3.5Å; W85-R89 PolarHBondContact O-N 3.2Å
86F98.7Very high97.2Very high2 Ų269.7 Ų69.71%0.00934%0.339CS..Hα-helixtrans-61.9-39.9177.9-90.4-88.1000112.1L53 L56 F57 P63 V82 Q83 R89 R90L53-F86 HydrophobicContact CD2-CE2 4.03Å; L56-F86 HydrophobicContact CB-CZ 4.08Å; L56-F86 HydrophobicContact CD2-CE2 4.03Å; L56-F86 HydrophobicContact CD2-CZ 3.65Å; L56-F86 HydrophobicContact CG-CZ 3.82Å; F57-F86 HydrophobicContact CB-CE1 4.06Å; F57-F86 AromaticContact CD2-CD1 3.89Å; F57-F86 HydrophobicContact CD2-CD1 3.89Å; F57-F86 AromaticContact CD2-CE1 3.83Å; F57-F86 HydrophobicContact CD2-CE1 3.83Å; F57-F86 HydrophobicContact CG-CE1 4.45Å; P63-F86 VanDerWaalsContact CD-CD1 3.47Å; P63-F86 HydrophobicContact CG-CD1 3.69Å; P63-F86 HydrophobicContact CG-CD2 3.98Å; P63-F86 HydrophobicContact CG-CE1 3.6Å; P63-F86 HydrophobicContact CG-CE2 3.91Å; P63-F86 HydrophobicContact CG-CG 3.89Å; P63-F86 HydrophobicContact CG-CZ 3.74Å; V82-F86 HydrophobicContact CG1-CD2 3.68Å; V82-F86 HydrophobicContact CG1-CE2 3.7Å; V82-F86 WeakPolarHBondContact O-CD2 3.35Å; V82-F86 PolarHBondContact O-N 2.82Å; Q83-F86 PolarHBondContact O-N 3.02Å; F86-R89 PolarHBondContact O-N 2.97Å; F86-R90 WeakPolarHBondContact O-CG 3.47Å; F86-R90 PolarHBondContact O-N 2.8Å
87K98.1Very high96.8Very high124 Ų12467.8 Ų67.854%0.53933%0.326SS..Hα-helixtrans-59.6-48.7174.2-172.8176.568.8175.30111.5Q83 V84 W85 R90 A91Q83-K87 PolarHBondContact O-N 3.07Å; V84-K87 PolarHBondContact O-N 3.13Å; W85-K87 VanDerWaalsContact C-N 3.33Å; W85-K87 PolarHBondContact O-N 2.88Å; K87-R90 PolarHBondContact O-N 2.91Å; K87-A91 PolarHBondContact O-N 3.48Å
88N98.1Very high96.5Very high98 Ų9872.2 Ų72.252%0.52435%0.346SS..Hα-helixtrans-66.1-39179.2-70.8-10.5000111.7V84 W85 A91 K92V84-N88 PolarHBondContact O-N 2.89Å; W85-N88 PolarHBondContact O-N 3.31Å; N88-A91 WeakPolarHBondContact O-CB 3.22Å; N88-A91 PolarHBondContact O-N 3.27Å; N88-K92 PolarHBondContact O-N 3.39Å
89R98.2Very high96.1Very high75 Ų7575.8 Ų75.828%0.28336%0.356SS..Hα-helixtrans-63.5-44.2177.3-175.265.9-169.7-176.23.1111.5E54 F57 W85 F86 K92 C93E54-R89 IonicContact OE1-CZ 3.08Å; E54-R89 IonicContact OE1-NH1 3.37Å; E54-R89 PolarHBondContact OE1-NH1 2.85Å; F57-R89 HydrophobicContact CD1-CG 4.12Å; F57-R89 HydrophobicContact CD2-CB 4.27Å; F57-R89 HydrophobicContact CD2-CG 3.56Å; F57-R89 HydrophobicContact CE1-CG 4Å; F57-R89 HydrophobicContact CE2-CB 4.08Å; F57-R89 HydrophobicContact CE2-CG 3.44Å; F57-R89 VanDerWaalsContact CE2-CG 3.44Å; F57-R89 HydrophobicContact CG-CG 3.9Å; F57-R89 HydrophobicContact CZ-CG 3.67Å; W85-R89 HydrophobicContact CE3-CB 4.17Å; W85-R89 HydrophobicContact CH2-CB 4.16Å; W85-R89 HydrophobicContact CH2-CG 3.85Å; W85-R89 HydrophobicContact CZ2-CG 4.4Å; W85-R89 HydrophobicContact CZ3-CB 3.97Å; W85-R89 HydrophobicContact CZ3-CG 4.01Å; W85-R89 WeakPolarHBondContact O-CB 3.5Å; W85-R89 PolarHBondContact O-N 3.2Å; F86-R89 PolarHBondContact O-N 2.97Å; R89-K92 PolarHBondContact O-N 3.21Å; R89-C93 PolarHBondContact O-N 3.22Å
90R98.2Very high95.5Very high54 Ų5478.3 Ų78.320%0.20437%0.368CS..Hα-helixtrans-62.7-40.4172.7-71.8-165.8-62.4-92.54.7112.3F57 R61 Y62 F86 K87 C93 R94F57-R90 HydrophobicContact CE2-CG 4.02Å; R61-R90 WeakPolarHBondContact O-CD 3.42Å; R61-R90 PolarHBondContact O-NH1 3.46Å; Y62-R90 VanDerWaalsContact CZ-CD 3.41Å; F86-R90 WeakPolarHBondContact O-CG 3.47Å; F86-R90 PolarHBondContact O-N 2.8Å; K87-R90 PolarHBondContact O-N 2.91Å; R90-C93 PolarHBondContact O-N 2.95Å; R90-R94 PolarHBondContact O-N 3.42Å
91A98Very high94.7Very high25 Ų2583.6 Ų83.621%0.20739%0.389CS..Hα-helixtrans-61.1-46.1175.800000111.7K87 N88 C93 R94 Q95K87-A91 PolarHBondContact O-N 3.48Å; N88-A91 WeakPolarHBondContact O-CB 3.22Å; N88-A91 PolarHBondContact O-N 3.27Å; A91-C93 VanDerWaalsContact C-N 3.34Å; A91-C93 PolarHBondContact O-N 3.49Å; A91-R94 PolarHBondContact O-N 2.92Å; A91-Q95 WeakPolarHBondContact O-CG 3.31Å; A91-Q95 PolarHBondContact O-N 2.91Å
92K97.3Very high93.4Very high129 Ų12987.9 Ų87.956%0.56141%0.414SS*.Hα-helixtrans-60.9-41.8176.2-172.4177.7179.5-178.70112.1N88 R89 Q95 Q96N88-K92 PolarHBondContact O-N 3.39Å; R89-K92 PolarHBondContact O-N 3.21Å; K92-Q95 PolarHBondContact O-N 3.49Å; K92-Q96 PolarHBondContact O-N 2.92Å
93C95.1Very high91.7Very high45 Ų4590.7 Ų90.730%0.30444%0.444SS..Hα-helixtrans-60.3-45.2176.4-179.40000111.9R89 R90 A91 Q95 Q96 Q97R89-C93 PolarHBondContact O-N 3.22Å; R90-C93 PolarHBondContact O-N 2.95Å; A91-C93 VanDerWaalsContact C-N 3.34Å; A91-C93 PolarHBondContact O-N 3.49Å; C93-Q95 PolarHBondContact O-N 3.03Å; C93-Q96 PolarHBondContact O-N 2.91Å; C93-Q97 PolarHBondContact O-N 2.89Å; C93-Q97 VanDerWaalsContact O-N 3.09Å
94R96.1Very high89.8Confident133 Ų13389.5 Ų89.550%0.50246%0.458SS..Hα-helixtrans-64.9-36.1174.5-68.2-165.1-56-86.61.6113.2R90 A91 Q98R90-R94 PolarHBondContact O-N 3.42Å; A91-R94 PolarHBondContact O-N 2.92Å; R94-Q98 WeakPolarHBondContact O-CG 3.49Å; R94-Q98 PolarHBondContact O-N 3.42Å; R94-Q98 VanDerWaalsContact O-N 3.1Å; R94-Q98 PolarHBondContact O-NE2 2.84Å
95Q93.9Very high87.9Confident126 Ų12694.6 Ų94.659%0.58948%0.478SS*.Hα-helixtrans-65.9-41.7175.9-72.7171.61300111.3A91 K92 C93 Q97 Q98 Q99A91-Q95 WeakPolarHBondContact O-CG 3.31Å; A91-Q95 PolarHBondContact O-N 2.91Å; K92-Q95 PolarHBondContact O-N 3.49Å; C93-Q95 PolarHBondContact O-N 3.03Å; Q95-Q97 PolarHBondContact O-N 3.03Å; Q95-Q98 PolarHBondContact O-N 2.83Å; Q95-Q99 WeakPolarHBondContact O-CB 3.29Å; Q95-Q99 PolarHBondContact O-N 3.03Å
96Q92.4Very high85.3Confident108 Ų108100.3 Ų100.351%0.50551%0.51SS..Hα-helixtrans-62.7-41.7177.1-171.6176.416.600111.7K92 C93 Q99 Q100K92-Q96 PolarHBondContact O-N 2.92Å; C93-Q96 PolarHBondContact O-N 2.91Å; Q96-Q99 PolarHBondContact O-N 3.06Å; Q96-Q100 WeakPolarHBondContact O-CG 3.32Å; Q96-Q100 PolarHBondContact O-N 3.17Å
97Q90.6Very high83.1Confident107 Ų107110 Ų11050%0.555%0.552SS.*Hα-helixtrans-65.1-42.8176.8-169.2178.32300112.4C93 Q95 Q99 Q100 Q101C93-Q97 PolarHBondContact O-N 2.89Å; C93-Q97 VanDerWaalsContact O-N 3.09Å; Q95-Q97 PolarHBondContact O-N 3.03Å; Q97-Q99 VanDerWaalsContact C-N 3.34Å; Q97-Q99 PolarHBondContact O-N 2.82Å; Q97-Q100 PolarHBondContact O-N 2.79Å; Q97-Q101 WeakPolarHBondContact O-CG 3.48Å; Q97-Q101 PolarHBondContact O-N 2.98Å
98Q90.1Very high81Confident119 Ų119110 Ų11056%0.55656%0.563SS**Hα-helixtrans-63.9-39.1175.2-74.8168.29500112R94 Q95 Q100 Q101 N102R94-Q98 WeakPolarHBondContact O-CG 3.49Å; R94-Q98 PolarHBondContact O-N 3.42Å; R94-Q98 VanDerWaalsContact O-N 3.1Å; R94-Q98 PolarHBondContact O-NE2 2.84Å; Q95-Q98 PolarHBondContact O-N 2.83Å; Q98-Q100 VanDerWaalsContact C-N 3.3Å; Q98-Q100 PolarHBondContact O-N 2.87Å; Q98-Q101 PolarHBondContact O-N 2.97Å; Q98-N102 PolarHBondContact O-N 3.44Å
99Q88.2Confident79.1Confident150 Ų150116 Ų11670%0.70158%0.578SS**Hα-helixtrans-67.2-32.3177.5-169170.521.100112.3Q95 Q96 Q97 G103Q95-Q99 WeakPolarHBondContact O-CB 3.29Å; Q95-Q99 PolarHBondContact O-N 3.03Å; Q96-Q99 PolarHBondContact O-N 3.06Å; Q97-Q99 VanDerWaalsContact C-N 3.34Å; Q97-Q99 PolarHBondContact O-N 2.82Å; Q99-G103 WeakPolarHBondContact O-CA 3.27Å; Q99-G103 PolarHBondContact O-N 2.94Å
100Q85.8Confident76.9Confident96 Ų96117.5 Ų117.545%0.44960%0.598SS.*Hα-helixtrans-70-41.2173.1-71.3172.918.500111.8Q96 Q97 Q98 G103 C274Q96-Q100 WeakPolarHBondContact O-CG 3.32Å; Q96-Q100 PolarHBondContact O-N 3.17Å; Q97-Q100 PolarHBondContact O-N 2.79Å; Q98-Q100 VanDerWaalsContact C-N 3.3Å; Q98-Q100 PolarHBondContact O-N 2.87Å; Q100-G103 PolarHBondContact O-N 3.25Å; Q100-C274 PolarHBondContact OE1-SG 3.45Å
101Q80.3Confident75Confident144 Ų144118.5 Ų118.567%0.67362%0.617SS**Hα-helixtrans-68.4-38.7178-69.6-178.821.500112.9Q97 Q98 G103Q97-Q101 WeakPolarHBondContact O-CG 3.48Å; Q97-Q101 PolarHBondContact O-N 2.98Å; Q98-Q101 PolarHBondContact O-N 2.97Å; Q101-G103 VanDerWaalsContact C-N 3.35Å
102N70.7Confident72.7Confident127 Ų127127.4 Ų127.468%0.67965%0.652SS**G310 helixtrans-85.6-4.8176.2-8957.1000113.9Q98 G104Q98-N102 PolarHBondContact O-N 3.44Å; N102-G104 VanDerWaalsContact C-N 3.28Å; N102-G104 PolarHBondContact O-N 3.07Å
103G61.8Low70.8Confident60 Ų60129.8 Ų129.862%0.61966%0.662SS**G310 helixtrans-75.8-7.1-174.600000115.5Q99 Q100 Q101 Q105Q99-G103 WeakPolarHBondContact O-CA 3.27Å; Q99-G103 PolarHBondContact O-N 2.94Å; Q100-G103 PolarHBondContact O-N 3.25Å; Q101-G103 VanDerWaalsContact C-N 3.35Å; G103-Q105 VanDerWaalsContact C-N 3.29Å; G103-Q105 PolarHBondContact O-N 3.14Å
104G57.4Low68.8Low74 Ų74137.4 Ų137.476%0.76369%0.69SS**G310 helixtrans-79.5-4.1175.500000114.9N102N102-G104 VanDerWaalsContact C-N 3.28Å; N102-G104 PolarHBondContact O-N 3.07Å
105Q57.9Low66.8Low166 Ų166136.7 Ų136.778%0.77670%0.7SS**SBendtrans-125.593-176.2-55.8-173.1-13.400110.4G103 K107G103-Q105 VanDerWaalsContact C-N 3.29Å; G103-Q105 PolarHBondContact O-N 3.14Å; Q105-K107 PolarHBondContact O-N 3.19Å
106N44.5Very low64.8Low145 Ų145135.5 Ų135.578%0.77571%0.706SS**  trans14100.7144.8-87.9-45.2000116
107K51.6Low62.7Low204 Ų204136.5 Ų136.589%0.88772%0.722SS**  -144.993.2120.9-72.8-141.9-179.9-150.70108.7Q105 R109Q105-K107 PolarHBondContact O-N 3.19Å; K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.09Å
108V55.7Low60.9Low126 Ų126136.1 Ų136.176%0.76474%0.737SS**  trans-42.2105.4151.5179.30000106.7P110V108-P110 WeakPolarHBondContact O-CD 3.36Å; V108-P110 VanDerWaalsContact O-N 3.15Å
109R57.9Low59.1Low222 Ų222142.4 Ų142.484%0.83876%0.756SS**  trans-55.9120.8167.8-165174.592.2-160.58104.8K107 A111K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.09Å; R109-A111 PolarHBondContact O-N 3.02Å
110P51.5Low57Low108 Ų108143.5 Ų143.570%0.70176%0.761SS**  trans-63.3107.817824.4-29.3000106.1V108 K112V108-P110 WeakPolarHBondContact O-CD 3.36Å; V108-P110 VanDerWaalsContact O-N 3.15Å; P110-K112 PolarHBondContact O-N 3.46Å
111A57.7Low55.6Low75 Ų75145.7 Ų145.762%0.6278%0.78SS**  trans-57.7110.1162.100000104.6R109 K113R109-A111 PolarHBondContact O-N 3.02Å; A111-K113 HydrophobicContact CB-CG 4.44Å; A111-K113 PolarHBondContact O-N 3.41Å
112K50.8Low53.9Low212 Ų212144.2 Ų144.292%0.92279%0.786SS**  trans-62.378.3165.8-74.6-174.1173.2-179.10107.1P110 K114P110-K112 PolarHBondContact O-N 3.46Å; K112-K114 PolarHBondContact O-N 2.79Å
113K56.3Low52.7Low178 Ų178144 Ų14477%0.77479%0.794SS**  trans-74.3104.1162.7-75-167.8176.5-174.70105.5A111 T115A111-K113 HydrophobicContact CB-CG 4.44Å; A111-K113 PolarHBondContact O-N 3.41Å; K113-T115 PolarHBondContact O-N 3.24Å
114K53.7Low52.3Low205 Ų205149.8 Ų149.889%0.89181%0.805SS**  trans-62.483163.9-174.9179.2177.5-176.90106.9K112K112-K114 PolarHBondContact O-N 2.79Å
115T54.3Low51.8Low119 Ų119152.3 Ų152.373%0.7381%0.811SS**  trans-95.6109.9171.5-67.40000107.4K113K113-T115 PolarHBondContact O-N 3.24Å
116S52.6Low51.4Low100 Ų100147.7 Ų147.770%0.69981%0.808SS**  trans-67.6142.8164.7-590000109.6
117P47.4Very low51.6Low130 Ų130147.4 Ų147.484%0.84481%0.812SS**  trans-89.9130.8-173.333.6-29.7000111.2
118A52.4Low51.4Low99 Ų99143.6 Ų143.682%0.81881%0.811SS**  trans-156.2110.3160.100000112.4
119R53.3Low51Low251 Ų251141.4 Ų141.495%0.94781%0.813SS**  trans76.7105.5135.5-128.5172.4-171.6174.71119.9
120E43.4Very low50.5Low173 Ų173139.1 Ų139.181%0.80881%0.812SS**  trans-53.1138.7159.8-57.7-91.7123.500113
121V55.6Low50.2Low141 Ų141143 Ų14386%0.85582%0.819SS**  trans-163.3117.6134.2160.90000107
122S46.2Very low49.9Very low114 Ų114145.1 Ų145.180%0.79782%0.824SS**  trans-76146.6176.4-72.60000112.8
123S45.1Very low50.1Low122 Ų122140.5 Ų140.585%0.85382%0.815SS**  trans-93.3149.6176.4-540000112.9
124E53.2Low50.1Low182 Ų182137.1 Ų137.185%0.8581%0.812SS**  trans-139115.4156.254.6-178.39700106
125S47.6Very low49.6Very low126 Ų126132.6 Ų132.688%0.88181%0.806SS**  109.1127.572-810000110.2
126G48Very low49.6Very low69 Ų69132.1 Ų132.171%0.71181%0.808SS**  trans137.292.5163.700000114.2
127T49.1Very low49.4Very low139 Ų139133.6 Ų133.685%0.85381%0.813SS**  104.9114.183-58.50000112.9
128S46.9Very low49.4Very low125 Ų125133 Ų13387%0.87481%0.811SS**  trans29.5130.6150.9-65.10000123.5
129G48.2Very low49.4Very low79 Ų79134.7 Ų134.781%0.81481%0.811SS**  trans-171.3123.6155.800000112.3
130Q46.7Very low49.1Very low174 Ų174128.2 Ų128.281%0.81380%0.801SS**  trans-70.3156-176-68.5152.33.200113.4
131F45.8Very low49.2Very low191 Ų191127 Ų12784%0.83881%0.806SS**  163.7145.8122.8-100.5-92.2000112.3
132T50.6Low48.5Very low118 Ų118128.2 Ų128.272%0.72481%0.806SS**  trans-88.4-166.5-170.550.90000112.7
133P56Low48.6Very low115 Ų115126.9 Ų126.975%0.74780%0.802SS**  cis-131.7-132.2-37.627-0.7000111.9
134P56.3Low48.8Very low108 Ų108126.2 Ų126.270%0.70180%0.798SS**  -125.7-179.7-99.142-23.7000116.8
135S43.6Very low48.5Very low109 Ų109123.4 Ų123.476%0.76280%0.798SS**  trans55.4121.5147.6-62.10000122
136S53.5Low48.7Very low110 Ų110123.1 Ų123.177%0.76980%0.796SS**  157.6115127.447.50000110.2
137T48.6Very low49.2Very low131 Ų131124.5 Ų124.580%0.80480%0.8SS**  86.1120.296.3-55.40000113.8
138S48.2Very low49.8Very low116 Ų116123.6 Ų123.681%0.81180%0.797SS**  trans125.5139.3144710000116.7
139V51.3Low50.4Low136 Ų136123.8 Ų123.882%0.82479%0.793SS**  trans-92-163-164.4-72.30000111.6
140P47.5Very low50.8Low114 Ų114125.2 Ų125.274%0.7479%0.79SS**  -117.6159.3-9236.6-19.1000113.1
141T45.2Very low51.6Low148 Ų148124.9 Ų124.991%0.90879%0.792SS**  trans-147.4130.8167.3-30.70000113.9
142I41.4Very low52.1Low166 Ų166126.7 Ų126.785%0.85179%0.794SS**  trans-73.9128.8174-63.3161.1000109.5
143A47.2Very low52.2Low86 Ų86126.3 Ų126.371%0.71180%0.796SS**  trans-176.3107.6153.800000107.8
144S49.1Very low51.7Low109 Ų109126 Ų12676%0.76279%0.794SS**  96.9134.984-77.70000112.8
145S47.8Very low51.4Low123 Ų123125.4 Ų125.486%0.8680%0.798SS**  trans72.690.6159.663.50000118.9
146S52.7Low51.6Low120 Ų120125.2 Ų125.284%0.83980%0.797SS**  trans-129.8108.1140.154.30000108.8
147A58.4Low51.5Low97 Ų97127.6 Ų127.680%0.80280%0.799SS**PPolyproline II helixtrans-79.1129.1175.600000109.6
148P61.5Low51.5Low120 Ų120126.5 Ų126.578%0.77980%0.797SS**PPolyproline II helixtrans-84.9119165.830.9-27.2000109.2S150P148-S150 PolarHBondContact O-N 3.48Å
149V58.1Low51.3Low130 Ų130126.8 Ų126.879%0.78880%0.796SS**PPolyproline II helixtrans-50127.9171.7-71.10000111.3I151V149-I151 PolarHBondContact O-N 2.98Å
150S57.5Low51.2Low109 Ų109128.1 Ų128.176%0.76280%0.798SS**PPolyproline II helixtrans-73119.3177.1-72.50000110.4P148 W152P148-S150 PolarHBondContact O-N 3.48Å; S150-W152 PolarHBondContact O-N 2.69Å
151I64Low51.1Low167 Ų167127.9 Ų127.986%0.85680%0.799SS**SBendtrans-81.93.7179.7-68165000111.8V149V149-I151 PolarHBondContact O-N 2.98Å
152W55.9Low50.8Low229 Ų229128.3 Ų128.387%0.86780%0.795SS**  trans-135.777.6-169-156.9-66.1000112.5S150S150-W152 PolarHBondContact O-N 2.69Å
153S52.3Low51.1Low109 Ų109125.3 Ų125.376%0.76279%0.786SS**  trans-134.9115.1161.1-68.40000109.4
154P46.5Very low51.1Low109 Ų109128.1 Ų128.171%0.70879%0.789SS**  trans-88.3141.1168.133.9-26.9000110.2
155A48.1Very low51Low96 Ų96127.7 Ų127.779%0.79379%0.786SS**  trans73.7138172.800000114.7
156S47.9Very low51Low105 Ų105127.9 Ų127.973%0.73478%0.782SS**  cis-151.2173.216.5-75.30000108
157I52.7Low50.7Low160 Ų160128 Ų12882%0.82178%0.782SS**  trans131104.3149-58.5152.6000112.9
158S47.1Very low50.2Low107 Ų107128.4 Ų128.475%0.74878%0.78SS**  trans82.3121.5146.3-61.60000121.4
159P45.7Very low49.5Very low122 Ų122127.7 Ų127.779%0.79278%0.777SS**  trans-93.3124.4176.335.6-27.1000110.7
160L48.4Very low49.7Very low165 Ų165127.6 Ų127.686%0.86478%0.781SS**  trans-142.7102.7164-74173.6000109.6
161S46.1Very low49.7Very low109 Ų109130.4 Ų130.476%0.76278%0.784SS**  trans35.9107.3143-410000120.6
162D38.3Very low49Very low157 Ų157131.3 Ų131.384%0.8479%0.785SS**  16.8164.1126.7-81.8-56.6000121.6
163P47.2Very low48.6Very low102 Ų102130 Ų13066%0.66278%0.78SS**  cis-142.3179.314.621.66.4000116.8
164L48.1Very low48.2Very low145 Ų145130.6 Ų130.676%0.75978%0.784SS**  trans94.4104.9153.5-64.1127.1000119.5
165S47.2Very low48.1Very low101 Ų101133.3 Ų133.371%0.70678%0.782SS**  70.2103.9123.6-54.40000118.4
166T48.2Very low48.6Very low127 Ų127135 Ų13578%0.77978%0.784SS**  173.1105.8104.7-65.90000108.5
167S44.9Very low49.2Very low121 Ų121138.5 Ų138.585%0.84679%0.791SS**  trans-72.3121.4165.5-177.80000108.5
168S48.2Very low49.1Very low106 Ų106135.9 Ų135.974%0.74178%0.783SS**  trans-135.891.9167.1590000109.9
169S47.8Very low49.2Very low105 Ų105141.1 Ų141.173%0.73479%0.788SS**  trans-53.8133.6166.3177.10000111.7
170C61.4Low49.5Very low128 Ų128139.8 Ų139.887%0.86578%0.778SS**SBendtrans-95.624.3-169.456.90000115.6
171M57.1Low49.3Very low169 Ų169140.2 Ų140.283%0.83378%0.775SS**  trans-110.519.1-174.2-69.6-158.973.400116.9
172Q50.1Low49.2Very low186 Ų186139.6 Ų139.687%0.86978%0.777SS**  trans-10796.4175.9-67.1-177.34.900111.7
173R46.5Very low49.5Very low200 Ų200138.5 Ų138.576%0.75578%0.781SS**  trans-157.189.6150.4-104.2-178.8-156.6-71.91.1108.3Y175R173-Y175 HydrophobicContact CB-CE2 4.12Å; R173-Y175 WeakPolarHBondContact CD-OH 3.38Å; R173-Y175 HydrophobicContact CG-CE2 3.95Å; R173-Y175 PolarHBondContact NH1-OH 3.34Å
174S43.7Very low49.5Very low123 Ų123137 Ų13786%0.8679%0.785SS**  trans-90.6126.7158.6-59.50000107.5
175Y46.1Very low49.2Very low166 Ų166141.3 Ų141.365%0.65179%0.793SS**  trans-122132.1160.3-52.7-86.4000107.4R173R173-Y175 HydrophobicContact CB-CE2 4.12Å; R173-Y175 WeakPolarHBondContact CD-OH 3.38Å; R173-Y175 HydrophobicContact CG-CE2 3.95Å; R173-Y175 PolarHBondContact NH1-OH 3.34Å
176P57.2Low48.9Very low130 Ų130141.4 Ų141.484%0.84479%0.793SS**  trans-83.2132.8170.132.7-28.1000108.9
177M61.1Low48.8Very low180 Ų180142.7 Ų142.789%0.88779%0.79SS**  trans-104.1122169.3-163.855.3-171.200109.7
178T51.5Low48.7Very low105 Ų105139.6 Ų139.664%0.64478%0.777SS**  trans-76139.9177.8-169.90000110.4
179Y48.5Very low48.6Very low217 Ų217144.8 Ų144.885%0.85178%0.782SS**  trans-125.9121.6165.2-163.5-92.2000108.1
180T52.2Low48.3Very low94 Ų94144.7 Ų144.758%0.57779%0.788SS**  trans-106.2159.7-179.352.30000109.9
181Q44.7Very low47.6Very low174 Ų174142 Ų14281%0.81378%0.781SS**  trans81.5133.6164.2-45.8-91.780.100114.5
182A43.8Very low47.1Very low96 Ų96139.6 Ų139.679%0.79378%0.781SS**  cis-163.1161.63.200000109.8
183S45.1Very low46.7Very low133 Ų133135.2 Ų135.293%0.9377%0.768SS**  trans-58.7153.9176.8-65.60000115.7
184G45.6Very low46.6Very low72 Ų72130.5 Ų130.574%0.74277%0.765SS**  trans170.591.9158.100000116.9
185Y42.1Very low46.8Very low235 Ų235133.4 Ų133.492%0.92276%0.759SS**  trans77.1139.1147.8-119.9-100.6000122
186S41.8Very low46.8Very low103 Ų103136.1 Ų136.172%0.7277%0.774SS**  trans-103.2-176.5-172.2-175.50000111.3
187Q46Very low46.1Very low153 Ų153132.7 Ų132.772%0.71576%0.763SS**  trans102.4122.8178.2-58.7-73.3-3.600112.5
188G41.7Very low45.2Very low56 Ų56127.7 Ų127.758%0.57776%0.757SS**  cis130.8139.314.700000109
189Y46Very low45.3Very low215 Ų215131.5 Ų131.584%0.84377%0.77SS**  trans82.6102.5175.5-49.2-77.1000116
190A43.2Very low45.2Very low103 Ų103128.5 Ų128.585%0.85177%0.769SS**  68.8112.162.500000113.7
191G45.5Very low44.9Very low71 Ų71129.1 Ų129.173%0.73278%0.776SS**  trans175.587.2174.200000114
192S46.7Very low44.9Very low119 Ų119123.7 Ų123.783%0.83277%0.766SS**  trans45.7112138-51.20000120
193T42.7Very low44.9Very low95 Ų95124.3 Ų124.358%0.58377%0.765SS**  157143.187.6-159.80000114Y195T193-Y195 HydrophobicContact CG2-CD2 4.2Å; T193-Y195 HydrophobicContact CG2-CE2 3.31Å; T193-Y195 WeakPolarHBondContact OG1-CE1 3.3Å; T193-Y195 VanDerWaalsContact OG1-CE2 3.27Å; T193-Y195 WeakPolarHBondContact OG1-CE2 3.47Å; T193-Y195 PolarHBondContact OG1-OH 2.91Å
194S43.8Very low45.1Very low100 Ų100128.5 Ų128.570%0.69976%0.762SS**  trans-115.2123.3-175.251.90000110.2
195Y48.2Very low45.5Very low185 Ų185132.1 Ų132.173%0.72576%0.764SS**  trans-153.6129.6160.1-28.8-87.6000111.2T193T193-Y195 HydrophobicContact CG2-CD2 4.2Å; T193-Y195 HydrophobicContact CG2-CE2 3.31Å; T193-Y195 WeakPolarHBondContact OG1-CE1 3.3Å; T193-Y195 VanDerWaalsContact OG1-CE2 3.27Å; T193-Y195 WeakPolarHBondContact OG1-CE2 3.47Å; T193-Y195 PolarHBondContact OG1-OH 2.91Å
196F44.8Very low45.8Very low222 Ų222127.7 Ų127.797%0.97476%0.761SS**  trans66.5133.6153.7-113.7-103.6000117.4
197G43.7Very low46.5Very low59 Ų59127.9 Ų127.961%0.60876%0.76SS**  cis174.6152.18.500000106.1
198G41Very low47.2Very low75 Ų75129.2 Ų129.277%0.77377%0.768SS**  trans-60.5146.5174.100000111.8
199M53.7Low47.6Very low184 Ų184133 Ų13391%0.90677%0.77SS**  trans-131.786.1161.8-80.7-172.214800108.3
200D46.2Very low47.8Very low155 Ų155131.6 Ų131.683%0.82977%0.771SS**  trans-60126.313252.4-68.9000108.4
201C47.7Very low47.8Very low106 Ų106133.5 Ų133.572%0.71676%0.763SS**  trans-125.683.1169.7-175.40000107.4
202G44.3Very low48.1Very low60 Ų60138.4 Ų138.462%0.61977%0.771SS**  trans-90.9143.1149.100000108.4
203S44Very low48.2Very low109 Ų109138.8 Ų138.876%0.76277%0.771SS**  trans72.983.1163.2-51.90000117.1
204Y48Very low48.6Very low221 Ų221137.7 Ų137.787%0.86778%0.778SS**  trans-114.7109.1137.8-82-84.3000109.6
205L54Low48.9Very low149 Ų149139.5 Ų139.578%0.7879%0.788SS**  trans-46.7131.9172.7-64.5153000112
206T48.6Very low49Very low141 Ų141134.1 Ų134.187%0.86579%0.789SS**  trans-142.696.1137.237.50000109.6
207P56.3Low49.2Very low107 Ų107128 Ų12870%0.69578%0.779SS**PPolyproline II helixtrans-99.8118.2151.7-8.827.5000109.1H209P207-H209 PolarHBondContact O-N 3.1Å
208M60.4Low49.6Very low182 Ų182130.7 Ų130.790%0.89778%0.784SS**PPolyproline II helixtrans-69.3122.8168.9-87-74.4168.600109.7
209H50.3Low50.4Low134 Ų134134.5 Ų134.562%0.6279%0.785SS**PPolyproline II helixtrans-82.2119.4177171.4-112.1000109.3P207 Q211P207-H209 PolarHBondContact O-N 3.1Å; H209-Q211 WeakPolarHBondContact CE1-CG 3.39Å; H209-Q211 VanDerWaalsContact NE2-CD 3.34Å; H209-Q211 WeakPolarHBondContact NE2-CG 3.27Å; H209-Q211 PolarHBondContact NE2-NE2 3.27Å
210H50Low50.3Low186 Ų186130.7 Ų130.786%0.86178%0.777SS**  trans-127.3110.8153-86-65.4000108.1
211Q43Very low50.6Low144 Ų144129.4 Ų129.467%0.67378%0.777SS**  trans-73.3140.9169.8-56-157.5-49.100110.1H209H209-Q211 WeakPolarHBondContact CE1-CG 3.39Å; H209-Q211 VanDerWaalsContact NE2-CD 3.34Å; H209-Q211 WeakPolarHBondContact NE2-CG 3.27Å; H209-Q211 PolarHBondContact NE2-NE2 3.27Å
212L52.4Low51Low174 Ų174133.5 Ų133.591%0.91179%0.788SS**  trans-171.8119141.5-97.8146.4000107.5
213P50.2Low51.4Low127 Ų127133.6 Ų133.683%0.82579%0.789SS**  trans-99.1145.7171.834.5-26.5000111.1
214G50.6Low51.9Low72 Ų72134.1 Ų134.174%0.74279%0.788SS**  trans163.5114.3166.600000113.3
215P50.6Low51.9Low138 Ų138131 Ų13190%0.89679%0.786SS**  trans-95.8151.4175.336.4-28.9000111.3
216G50.1Low51.6Low72 Ų72128.6 Ų128.674%0.74279%0.788SS**  trans140.6131158.500000114.8
217A47.8Very low52.3Low93 Ų93128.8 Ų128.877%0.76979%0.788SS**  trans68.2142.3155.200000116.3
218T52.9Low51.9Low116 Ų116129 Ų12971%0.71279%0.788SS**  cis177.7146-7.133.10000104.1
219L57.3Low51.6Low154 Ų154126.2 Ų126.281%0.80679%0.786SS**  trans83.4116.5149.6-60.5155.2000120.9
220S52.5Low51.6Low104 Ų104126.3 Ų126.373%0.72779%0.787SS**  85.3122.1128.1-56.70000121.4
221P51.7Low51.9Low128 Ų128124.7 Ų124.783%0.83178%0.783SS**  trans-100146.2156.436.3-26.1000111.2
222M57.1Low52.1Low192 Ų192124.7 Ų124.795%0.94679%0.788SS**  trans167.8140.2144-179.3140.162.900112.5
223G50.9Low52Low62 Ų62125.3 Ų125.364%0.63979%0.787SS**  trans98.4142.3148.400000115.1
224T55.2Low52.1Low121 Ų121124.3 Ų124.374%0.74278%0.783SS**  cis-168.3153.4-0.641.90000105.5
225N47.5Very low52.3Low155 Ų155127.2 Ų127.283%0.82979%0.788SS**  163.9102.9125.1-82.4-4.2000110.6
226A49.3Very low52.5Low98 Ų98125.3 Ų125.381%0.8178%0.784SS**  trans-92.3131.1153.900000107.8
227V62.8Low52.3Low145 Ų145127.4 Ų127.488%0.87979%0.788SS**  trans-137.8132.9148.9-70.70000109.1
228T47Very low52.3Low111 Ų111131.4 Ų131.468%0.68180%0.795SS**  trans-89.9140.3-177.9-177.90000109.4H230T228-H230 PolarHBondContact OG1-ND1 3.46Å
229S55.6Low51.9Low124 Ų124130.4 Ų130.487%0.86779%0.793SS**  trans-148100.1157.96.80000108.9
230H50.3Low51.4Low136 Ų136129.2 Ų129.263%0.6379%0.792SS**  trans-97.6146.2168.145.8-84.3000108.1T228T228-H230 PolarHBondContact OG1-ND1 3.46Å
231L56Low51.1Low152 Ų152131.8 Ų131.880%0.79679%0.792SS**  trans142.491.5166.5-82.1150.6000106.4
232N46.2Very low50.7Low145 Ų145129.1 Ų129.178%0.77579%0.788SS**  49.795.467.1-147.443.9000114
233Q51.6Low50.2Low187 Ų187129 Ų12987%0.87478%0.779SS**  trans-162.4135.3144.9-113162.292.400112.4
234S51.8Low49.9Very low106 Ų106130.1 Ų130.174%0.74179%0.79SS**  trans-71.1167.8-167.7-56.40000116
235P55.2Low49.1Very low132 Ų132129.1 Ų129.186%0.85779%0.794SS**  trans-86.6140.2173.135-30.1000111
236A53.1Low49.2Very low98 Ų98127 Ų12781%0.8179%0.792SS**  trans-134.7116.9170.500000110.9
237S47Very low48.9Very low117 Ų117127.5 Ų127.582%0.81879%0.789SS**  trans-57.1134.5165.4410000112.9
238L48.1Very low48.2Very low176 Ų176129.1 Ų129.192%0.92179%0.792SS**  trans-138.9139.4157.1-86.6164.6000110.5
239S44.8Very low47.9Very low95 Ų95127.6 Ų127.666%0.66480%0.798SS**  trans-99150.3-160.743.40000113.3
240T45.2Very low47.3Very low129 Ų129131.6 Ų131.679%0.79180%0.8SS**  trans51114.4136.7-38.80000119.6
241Q47.3Very low46.8Very low158 Ų158131.1 Ų131.174%0.73880%0.802SS**  162.4138.6117-87.3-161.2-7.200110Y243Q241-Y243 PolarHBondContact NE2-OH 3.23Å; Q241-Y243 PolarHBondContact OE1-OH 3.41Å
242G43Very low45.9Very low72 Ų72129.7 Ų129.774%0.74281%0.805SS**  trans161.382.6171.600000115.5
243Y46.5Very low45.7Very low191 Ų191128.2 Ų128.275%0.74980%0.801SS**  trans-55150.5179.5-39.8-87.8000115.3Q241Q241-Y243 PolarHBondContact NE2-OH 3.23Å; Q241-Y243 PolarHBondContact OE1-OH 3.41Å
244G45Very low45.2Very low85 Ų85125.6 Ų125.688%0.87680%0.798SS**  trans165.279.8164.600000114
245A38.4Very low44.8Very low99 Ų99128.3 Ų128.382%0.81880%0.804SS**  trans-104.5124.5171.200000110.2
246S49.4Very low43.7Very low112 Ų112127 Ų12778%0.78380%0.797SS**  trans-162.997.9166.1-66.60000105.6
247S42Very low43.4Very low108 Ų108130.2 Ų130.276%0.75580%0.8SS**  82.1155.4100.672.20000113
248L49.1Very low42.9Very low179 Ų179130.8 Ų130.894%0.93779%0.794SS**  trans87.4110-166.6-45.6-179.7000112.6
249G40.1Very low42.7Very low78 Ų78132.8 Ų132.880%0.80479%0.791SS**  cis124.410214.400000109.3
250F43.5Very low42.5Very low208 Ų208136.4 Ų136.491%0.91279%0.794SS**  trans-156.1123.4151.8-164.6-100.2000111.3
251N41Very low42.3Very low126 Ų126135.9 Ų135.967%0.67479%0.787SS**  trans-73.9143-174.6-90.56.2000113.1
252S35.1Very low42.1Very low122 Ų122136.8 Ų136.885%0.85379%0.791SS**  trans-66.1118.9147.7-66.90000109.7
253T43.7Very low41.7Very low115 Ų115139.5 Ų139.571%0.70679%0.793SS**  trans-154.9119.1157.2130000109.6
254T39.8Very low41.3Very low132 Ų132134.2 Ų134.281%0.8179%0.789SS**  trans-36.7126.4156.242.40000112.5
255D43.3Very low40.8Very low163 Ų163136.4 Ų136.487%0.87279%0.791SS**  trans-154144.5149.7-128.3-62.2000112
256C33.6Very low41.1Very low105 Ų105142.1 Ų142.171%0.70979%0.792SS**  trans-85.8127.4-169.3175.40000109.6
257L45.3Very low40.4Very low164 Ų164146.9 Ų146.986%0.85980%0.798SS**  trans-129.895.1161.6-96.2171.4000109.7Y259L257-Y259 PolarHBondContact O-N 2.93Å
258D36.5Very low40.9Very low129 Ų129149 Ų14969%0.6980%0.8SS**  trans-49.5117.4156.1-176.6-100.7000110
259Y44.4Very low40.2Very low219 Ų219147.1 Ų147.186%0.85979%0.791SS**  trans-134.4103157-112.7-87.7000109.7L257L257-Y259 PolarHBondContact O-N 2.93Å
260K40.9Very low40.3Very low171 Ų171153.6 Ų153.674%0.74380%0.798SS**  trans-56.5139.4166.6167.4168.1161.9174.80112.8
261D41Very low39.9Very low118 Ų118149.1 Ų149.163%0.63178%0.783SS**  trans85.1102.5154-137.7-89.5000119.9
262Q42Very low39.8Very low176 Ų176148 Ų14882%0.82279%0.792SS**  -175.3101.7111.4-99.4171.589.800112.1A264Q262-A264 PolarHBondContact O-N 3.05Å
263T35Very low40.1Very low129 Ų129148 Ų14879%0.79178%0.782SS**  trans4.289.5138.857.90000118.6
264A39.3Very low39.8Very low81 Ų81146.2 Ų146.267%0.66977%0.774SS**  trans-157.1107.4149.800000112Q262 W266Q262-A264 PolarHBondContact O-N 3.05Å; A264-W266 PolarHBondContact O-N 3.3Å
265S34.4Very low40Very low131 Ų131146.9 Ų146.992%0.91677%0.771SS**  trans-65.8112179.3-169.10000112.7
266W43.9Very low39.8Very low218 Ų218145.4 Ų145.483%0.82676%0.764SS**  trans-153.850.8160.157-78.2000112.2A264 L268A264-W266 PolarHBondContact O-N 3.3Å; W266-L268 VanDerWaalsContact C-N 3.33Å; W266-L268 PolarHBondContact O-N 3.44Å; W266-L268 VanDerWaalsContact O-N 3.07Å
267K35.8Very low39.9Very low212 Ų212150.7 Ų150.792%0.92277%0.77SS**  trans-72.589.8158.7-95.4176.2167.6166.90108.4
268L51.1Low39.8Very low152 Ų152150.7 Ų150.780%0.79676%0.763SS**  trans-104.6102168.3-69.8-174.6000111W266 F270W266-L268 VanDerWaalsContact C-N 3.33Å; W266-L268 PolarHBondContact O-N 3.44Å; W266-L268 VanDerWaalsContact O-N 3.07Å; L268-F270 PolarHBondContact O-N 2.99Å
269N34.8Very low40Very low141 Ų141150.9 Ų150.975%0.75476%0.764SS**  trans-36.1117.5158.2-172.250.5000112.6N271N269-N271 PolarHBondContact O-N 2.99Å
270F42Very low39.7Very low213 Ų213147.6 Ų147.693%0.93476%0.757SS**  trans-74.785171.2-77.6-88.4000109.8L268L268-F270 PolarHBondContact O-N 2.99Å
271N35.7Very low39.7Very low115 Ų115144.9 Ų144.962%0.61576%0.755SS**  trans-103.4120.4162.8-154.5-65.6000109.1N269 D273N269-N271 PolarHBondContact O-N 2.99Å; N271-D273 PolarHBondContact O-N 3.24Å
272A38.8Very low39.8Very low103 Ų103142.5 Ų142.585%0.85175%0.747SS**  trans-70.489.4174.200000108.9
273D41.6Very low39.8Very low120 Ų120139.2 Ų139.264%0.64274%0.743SS**  trans-126.9138.7174.1-128.2-54.1000112.9N271 L275N271-D273 PolarHBondContact O-N 3.24Å; D273-L275 PolarHBondContact O-N 2.91Å
274C36.8Very low40.2Very low79 Ų79143.7 Ų143.753%0.53475%0.746SS.*  trans-97.949.8-165.7-179.70000109.9Q100Q100-C274 PolarHBondContact OE1-SG 3.45Å
275L43.4Very low41Very low146 Ų146147.5 Ų147.576%0.76475%0.747SS**  trans-153.7116.9-176.9-66.8169.5000105.1D273D273-L275 PolarHBondContact O-N 2.91Å
276D39.6Very low41.8Very low132 Ų132149.8 Ų149.871%0.70674%0.741SS**  174.4101.173.3-179.5-100.8000104.8
277Y35.7Very low42.4Very low216 Ų216145.7 Ų145.785%0.84773%0.731SS**  trans-112.674.6158.1-155-92.2000106.6D279Y277-D279 PolarHBondContact O-N 3.41Å
278K42.7Very low43.5Very low164 Ų164141.5 Ų141.571%0.71372%0.723SS**  trans-29.4116155.3-179.3173169.7173.80111.6
279D40.2Very low43.9Very low132 Ų132144.9 Ų144.971%0.70674%0.741SS**  trans50.485.7140.9-146.7-97.2000116.9Y277Y277-D279 PolarHBondContact O-N 3.41Å
280Q39.2Very low44.3Very low151 Ų151145.1 Ų145.171%0.70674%0.74SS**  trans-127.784.8143.9-163164.888.600107.8S282Q280-S282 VanDerWaalsContact C-N 3.3Å; Q280-S282 PolarHBondContact O-N 3.41Å
281T40.5Very low44.5Very low114 Ų114141.5 Ų141.570%0.69973%0.73SS**  trans-42.798.1152.3152.60000108.8
282S44Very low44.9Very low68 Ų68143 Ų14348%0.47674%0.736SS.*  trans-129.685.4163.4-71.50000106.3Q280 W284Q280-S282 VanDerWaalsContact C-N 3.3Å; Q280-S282 PolarHBondContact O-N 3.41Å; S282-W284 VanDerWaalsContact O-CD1 3.27Å; S282-W284 PolarHBondContact O-N 3.06Å
283S41.9Very low45.3Very low106 Ų106145.4 Ų145.474%0.74173%0.73SS**  trans-51.599.7167.3-178.50000109.3K285S283-K285 PolarHBondContact O-N 3.39Å
284W42.2Very low45.5Very low223 Ų223146.9 Ų146.985%0.84574%0.735SS**  trans-77.373.8164.1-65.595.3000108.3S282 F286S282-W284 VanDerWaalsContact O-CD1 3.27Å; S282-W284 PolarHBondContact O-N 3.06Å; W284-F286 PolarHBondContact O-N 3.2Å
285K57.3Low46.1Very low161 Ų161151.5 Ų151.570%0.775%0.749SS**  trans-77.295.3163.8-178.2174.6171.4173.30107.3S283 Q287S283-K285 PolarHBondContact O-N 3.39Å; K285-Q287 PolarHBondContact O-N 3.06Å
286F51.2Low46.3Very low179 Ų179151.9 Ų151.979%0.78575%0.748SS**  trans-66103.3163.2-99.4-91.2000108.2W284W284-F286 PolarHBondContact O-N 3.2Å
287Q56.3Low46.8Very low132 Ų132153.4 Ų153.462%0.61775%0.751SS**  trans-81111162.9-169.278.641.100106.4K285 L289K285-Q287 PolarHBondContact O-N 3.06Å; Q287-L289 HydrophobicContact CG-CD1 4.32Å
288V59.2Low47.8Very low125 Ų125148.2 Ų148.276%0.75874%0.743SS**  trans-78117.8166175.60000106.5
289L58.4Low48.2Very low223 Ų223146.7 Ų146.7100%1.16875%0.745SS**  trans-890152.8-9586.2000108.1Q287Q287-L289 HydrophobicContact CG-CD1 4.32Å

Retrieved 289 of 289 residues in 449.5 ms (Link to these results)