A0A087XEI5_POEFO Loading...

Transcription factor ETV6

Transcriptional repressor; binds to the DNA sequence 5'-CCGGAAGT-3'. Plays a role in hematopoiesis and malignant transformation.

AlphaFold DB , UniProt , Accession A0A087XEI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 403 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
1M36.9Very low42.8Very low244 Ų244138 Ų138100%1.20282%0.815SS**  0134.20-84.7173.9160.300108.1
2A37.9Very low42.1Very low96 Ų96139.5 Ų139.579%0.79381%0.808SS**  trans66.5102.9179.500000116.3
3S40.3Very low41.1Very low120 Ų120139.3 Ų139.384%0.83980%0.795SS**  68.9131.675.7-77.20000112.6
4V40.4Very low40.4Very low136 Ų136137.9 Ų137.982%0.82479%0.79SS**  cis-165.3153.114.5136.40000108.4
5S45.2Very low39.7Very low105 Ų105136.1 Ų136.173%0.73479%0.79SS**  trans-71.5-172.9177.8-60.90000115.5
6P61.7Low40.5Very low108 Ų108135.6 Ų135.670%0.70179%0.792SS**  -145.5-176.9-61.545.1-27.8000115.8
7S42.5Very low40Very low109 Ų109134.4 Ų134.476%0.76279%0.793SS**  trans80159.4138.2-68.30000122.4
8P52.2Low39.7Very low118 Ų118132.2 Ų132.277%0.76679%0.793SS**  -140.9170.5-90.730.9-4000118.3
9L37.4Very low39.5Very low154 Ų154132.5 Ų132.581%0.80679%0.788SS**  trans21123.4140.4-118.659.7000121.2
10I38.9Very low39.4Very low137 Ų137133.9 Ų133.970%0.70379%0.788SS**  89.6127.360.3-88.8168000116.6
11K37.8Very low39.3Very low191 Ų191136.7 Ų136.783%0.8379%0.793SS**  trans158.4119.8135.7-96.4170.9178.1-177.80110
12Q33.9Very low39.1Very low156 Ų156128.5 Ų128.573%0.72977%0.771SS**  52.5131.951.3-100.6-175.2-37.800112.5
13E28.6Very low39Very low137 Ų137136 Ų13664%0.6478%0.779SS**  cis-177.1166.916.3-149.8-175.680.200110.2
14T31.7Very low38.7Very low119 Ų119138.6 Ų138.673%0.7378%0.778SS**  trans74.4130.1144.142.60000126.8
15S30.2Very low38.6Very low112 Ų112138.9 Ų138.978%0.78378%0.779SS**  trans-64.5-161.9164.9-45.10000115.6
16P52.2Low38Very low128 Ų128138.5 Ų138.583%0.83178%0.777SS**  cis-140.7-168.6-4.637-12.4000117.4
17S33.1Very low37Very low114 Ų114143 Ų14380%0.79779%0.786SS**  trans-70.4160.1-170.3-42.50000121
18A33.2Very low37.2Very low96 Ų96143.4 Ų143.479%0.79379%0.785SS**  trans176.3114.8141.500000109
19I36.7Very low36.9Very low138 Ų138143.7 Ų143.771%0.70879%0.787SS**  58.4103.966.5-42.3-178.4000116.7
20M37.1Very low37Very low159 Ų159140.6 Ų140.678%0.78378%0.784SS**  162.6160.5115.1-92.2-55.9161.200114.1
21H37.3Very low37Very low193 Ų193140 Ų14089%0.89479%0.787SS**  trans97.2105.6-172.4-55.295.3000112.2
22G32.8Very low37.1Very low72 Ų72139.1 Ų139.174%0.74279%0.785SS**  cis109.379.713.600000111.6
23R35.1Very low37.4Very low254 Ų254139.2 Ų139.296%0.95879%0.785SS**  trans-171.9128.2139.7-120.7167.7149.9150.8-8.1113.3
24E35.7Very low38.1Very low174 Ų174138.3 Ų138.381%0.81379%0.791SS**  trans-86.2139178.1-168.1-170.6165.200110.3
25V36.5Very low38.4Very low142 Ų142138.6 Ų138.686%0.86180%0.795SS**  trans-140126.3161-179.70000108.3
26S33.8Very low38.5Very low97 Ų97138.3 Ų138.368%0.67879%0.793SS**  trans-66.8152.6-173.5-50.50000115.1
27F40.8Very low38Very low204 Ų204137.5 Ų137.590%0.89579%0.791SS**  trans-70.6155.8173.3-65.4-90.5000114.1
28P47.2Very low38.3Very low116 Ų116140.1 Ų140.175%0.75379%0.79SS**  trans-114.9166.514235.6-26.2000112.7
29P45.4Very low38.6Very low124 Ų124140.5 Ų140.581%0.80579%0.785SS**  trans-98.7171.4-14738-34.8000115.7
30A39.7Very low38.8Very low90 Ų90139.3 Ų139.374%0.74479%0.786SS**  trans-50.7139.4-179.900000115.8
31V38.4Very low38.7Very low124 Ų124139.8 Ų139.875%0.75279%0.791SS**  trans-124.3121.2149.4-1780000107.9
32H39.4Very low38.9Very low173 Ų173137 Ų13780%0.80178%0.782SS**  trans-60.4126.8177.9-80.2-94.5000112.7
33H40.1Very low39Very low158 Ų158138 Ų13873%0.73178%0.778SS**  trans-124.6129.6149.4-48.4-21.7000106.5
34P42.9Very low39Very low117 Ų117131.5 Ų131.576%0.7677%0.768SS**  trans-73137.2-169.329.5-32.7000110.3S36P34-S36 PolarHBondContact O-N 3.14Å; P34-S36 VanDerWaalsContact O-N 3.14Å
35P38.4Very low39Very low125 Ų125128.7 Ų128.781%0.81275%0.754SS**  trans-65.4116.8155.527.3-27.8000106.6S37P35-S37 PolarHBondContact O-N 2.81Å; P35-S37 VanDerWaalsContact O-N 3.13Å
36S33Very low38.8Very low106 Ų106125.3 Ų125.374%0.74173%0.734SS**  trans-38120.3169.2-169.90000109.6P34 Q38P34-S36 PolarHBondContact O-N 3.14Å; P34-S36 VanDerWaalsContact O-N 3.14Å; S36-Q38 VanDerWaalsContact C-N 3.31Å; S36-Q38 PolarHBondContact O-N 3.13Å
37S41Very low39Very low112 Ų112128.6 Ų128.678%0.78374%0.739SS**  trans-52.891174.524.20000110.3P35P35-S37 PolarHBondContact O-N 2.81Å; P35-S37 VanDerWaalsContact O-N 3.13Å
38Q38.8Very low38.9Very low169 Ų169124.4 Ų124.479%0.7972%0.722SS**PPolyproline II helixtrans-79.2116.8152.8-73.8-165.7-32.200106.4S36S36-Q38 VanDerWaalsContact C-N 3.31Å; S36-Q38 PolarHBondContact O-N 3.13Å
39P40.3Very low38.8Very low104 Ų104122.7 Ų122.768%0.67571%0.707SS**PPolyproline II helixtrans-57.1148.1167.226.1-31.2000107.9L41P39-L41 PolarHBondContact O-N 3.03Å
40P41.5Very low38.8Very low113 Ų113120.6 Ų120.673%0.73469%0.688SS**PPolyproline II helixtrans-51.9124.5174.722-30.6000107.2L42P40-L42 PolarHBondContact O-N 2.7Å
41L35.7Very low39.4Very low168 Ų168120.4 Ų120.488%0.8867%0.668SS**  trans-56.491.1171.8-85.1162.8000106.8P39 S43P39-L41 PolarHBondContact O-N 3.03Å; L41-S43 PolarHBondContact O-N 2.77Å; L41-S43 VanDerWaalsContact O-N 3.09Å
42L39.5Very low40.3Very low136 Ų136118.3 Ų118.371%0.71265%0.65SS**  trans-56.5114.1160.8-72.2167000104.2P40P40-L42 PolarHBondContact O-N 2.7Å
43S36.4Very low41.6Very low93 Ų93110.8 Ų110.865%0.6562%0.616SS**  trans-34.4135.3154.9-27.40000107.4L41 H45L41-S43 PolarHBondContact O-N 2.77Å; L41-S43 VanDerWaalsContact O-N 3.09Å; S43-H45 PolarHBondContact O-N 3.09Å
44P35.3Very low42.4Very low116 Ų116106.3 Ų106.375%0.75360%0.601SS**  trans-55.5112171.223.9-29.1000105T46P44-T46 PolarHBondContact O-N 2.85Å
45H34Very low43.4Very low115 Ų115102.9 Ų102.953%0.53259%0.586SS.*  trans-53.2105.4169-92.9-70.7000103.3S43 Q47 D49S43-H45 PolarHBondContact O-N 3.09Å; H45-Q47 PolarHBondContact O-N 3.37Å; H45-D49 IonicContact ND1-OD2 3.19Å
46T33.7Very low44.3Very low72 Ų72103.8 Ų103.844%0.44257%0.574SS.*  trans-55135.3174.941.30000104.5P44 E48 D49P44-T46 PolarHBondContact O-N 2.85Å; T46-E48 VanDerWaalsContact CB-OE1 3.31Å; T46-E48 WeakPolarHBondContact CB-OE1 3.13Å; T46-E48 PolarHBondContact O-N 2.75Å; T46-E48 WeakPolarHBondContact OG1-CG 3.31Å; T46-D49 PolarHBondContact O-N 3.01Å
47Q37.5Very low45.8Very low166 Ų16699 Ų9978%0.77654%0.54SS*.THydrogen-bonded Turntrans-55.1-10-174.7-174.6175-19.100112.7H45 W51H45-Q47 PolarHBondContact O-N 3.37Å; Q47-W51 PolarHBondContact O-NE1 3.09Å
48E39.4Very low46.8Very low115 Ų115100.6 Ų100.654%0.53753%0.529SS..THydrogen-bonded Turntrans-63.8-26.8165.753.1-137.58800117.3T46 W51 H52T46-E48 VanDerWaalsContact CB-OE1 3.31Å; T46-E48 WeakPolarHBondContact CB-OE1 3.13Å; T46-E48 PolarHBondContact O-N 2.75Å; T46-E48 WeakPolarHBondContact OG1-CG 3.31Å; E48-W51 HydrophobicContact CB-CZ2 4.02Å; E48-W51 WeakPolarHBondContact O-CZ2 3.4Å; E48-W51 PolarHBondContact O-NE1 3.29Å; E48-W51 VanDerWaalsContact O-NE1 3.09Å; E48-H52 PolarHBondContact O-NE2 3.09Å
49D44.4Very low48Very low81 Ų8193.1 Ų93.143%0.43349%0.494SS..THydrogen-bonded Turntrans-88.7-24.7-177.1-110.1-12000114H45 T46 W51 H52H45-D49 IonicContact ND1-OD2 3.19Å; T46-D49 PolarHBondContact O-N 3.01Å; D49-W51 PolarHBondContact O-N 3.36Å; D49-W51 VanDerWaalsContact O-N 3.16Å; D49-H52 PolarHBondContact O-CD2 2.93Å; D49-H52 IonicContact OD1-CD2 3.56Å; D49-H52 PolarHBondContact OD1-CD2 3.18Å; D49-H52 IonicContact OD1-NE2 3.92Å; D49-H52 PolarHBondContact OD1-NE2 3.02Å
50L46.3Very low49.6Very low79 Ų7990.1 Ų90.141%0.41447%0.472SS..THydrogen-bonded Turntrans-73.1-5.4-172.8-76165.8000114.5
51W50.3Low51.6Low87 Ų8784.8 Ų84.833%0.3344%0.438SS..THydrogen-bonded Turntrans-116.310.7-175.352.1-105.5000114.6Q47 E48 D49 L53 Q126Q47-W51 PolarHBondContact O-NE1 3.09Å; E48-W51 HydrophobicContact CB-CZ2 4.02Å; E48-W51 WeakPolarHBondContact O-CZ2 3.4Å; E48-W51 PolarHBondContact O-NE1 3.29Å; E48-W51 VanDerWaalsContact O-NE1 3.09Å; D49-W51 PolarHBondContact O-N 3.36Å; D49-W51 VanDerWaalsContact O-N 3.16Å; W51-L53 VanDerWaalsContact C-N 3.34Å; W51-L53 PolarHBondContact O-N 3.09Å; W51-Q126 VanDerWaalsContact CD1-NE2 3.26Å; W51-Q126 HydrophobicContact CD2-CG 4.35Å; W51-Q126 VanDerWaalsContact CD2-NE2 3.33Å; W51-Q126 HydrophobicContact CE3-CG 4.35Å; W51-Q126 HydrophobicContact CG-CG 4.44Å
52H57.8Low53.8Low80 Ų8078.1 Ų78.137%0.3741%0.405SS..  trans-73.886.6177.5-69.7-45.4000111.7E48 D49E48-H52 PolarHBondContact O-NE2 3.09Å; D49-H52 PolarHBondContact O-CD2 2.93Å; D49-H52 IonicContact OD1-CD2 3.56Å; D49-H52 PolarHBondContact OD1-CD2 3.18Å; D49-H52 IonicContact OD1-NE2 3.92Å; D49-H52 PolarHBondContact OD1-NE2 3.02Å
53L66.4Low55.5Low14 Ų1473.9 Ų73.97%0.07338%0.383CS..  trans-54.8131.3167-78.6169.1000110.1W51 G55 L57 R58 W75 V123W51-L53 VanDerWaalsContact C-N 3.34Å; W51-L53 PolarHBondContact O-N 3.09Å; L53-G55 PolarHBondContact O-N 2.86Å; L53-L57 HydrophobicContact CB-CB 4.12Å; L53-L57 HydrophobicContact CD2-CB 4.18Å; L53-R58 HydrophobicContact CB-CG 4.23Å; L53-R58 WeakPolarHBondContact O-CG 3.43Å; L53-R58 PolarHBondContact O-NE 3.11Å; L53-W75 HydrophobicContact CD2-CD2 4.02Å; L53-W75 HydrophobicContact CD2-CE3 3.58Å; L53-W75 HydrophobicContact CD2-CH2 3.93Å; L53-W75 HydrophobicContact CD2-CZ2 4.33Å; L53-W75 HydrophobicContact CD2-CZ3 3.54Å; L53-W75 HydrophobicContact CG-CH2 4.49Å; L53-V123 HydrophobicContact CD1-CB 4.12Å; L53-V123 HydrophobicContact CD1-CG1 3.4Å; L53-V123 VanDerWaalsContact CD1-CG1 3.4Å; L53-V123 HydrophobicContact CD1-CG2 3.54Å; L53-V123 HydrophobicContact CD2-CG2 4.32Å; L53-V123 HydrophobicContact CG-CG2 4.19Å
54P58Low57.9Low65 Ų6569.6 Ų69.642%0.42235%0.353SS..  trans-60.8122.7178.8-2329.9000112.1R56 L57 W75P54-R56 PolarHBondContact O-N 3.13Å; P54-L57 WeakPolarHBondContact O-CB 3.43Å; P54-L57 PolarHBondContact O-N 3.31Å; P54-W75 HydrophobicContact CG-CG 4.13Å
55G63.3Low60.2Low44 Ų4467 Ų6745%0.45433%0.332SS..G310 helixtrans35.5-10316500000115.4L53 L57 R58L53-G55 PolarHBondContact O-N 2.86Å; G55-L57 PolarHBondContact O-N 2.88Å; G55-L57 VanDerWaalsContact O-N 3.15Å; G55-R58 VanDerWaalsContact O-CB 3.26Å; G55-R58 WeakPolarHBondContact O-CB 3.31Å; G55-R58 VanDerWaalsContact O-CG 3.25Å; G55-R58 WeakPolarHBondContact O-CG 3.42Å; G55-R58 PolarHBondContact O-N 2.87Å
56R57.9Low62.7Low144 Ų14465.7 Ų65.754%0.54333%0.325SS..G310 helixtrans-59.4-21.4-177-74.4-176.255.9-174.8-9.1115.1P54 R58 I59 D65 D68P54-R56 PolarHBondContact O-N 3.13Å; R56-R58 VanDerWaalsContact C-N 3.25Å; R56-R58 PolarHBondContact O-N 3Å; R56-I59 WeakPolarHBondContact O-CD1 3.34Å; R56-I59 WeakPolarHBondContact O-CG1 3.38Å; R56-D65 IonicContact NH2-OD2 2.76Å; R56-D65 PolarHBondContact NH2-OD2 3.07Å; R56-D68 IonicContact CZ-OD1 2.7Å; R56-D68 IonicContact NE-OD1 3.53Å; R56-D68 IonicContact NH2-OD1 3.46Å; R56-D68 PolarHBondContact NH2-OD1 3.5Å; R56-D68 VanDerWaalsContact NH2-OD1 3.09Å; R56-D68 IonicContact NH2-OD2 3.49Å; R56-D68 PolarHBondContact NH2-OD2 3.06Å
57L64.5Low65.3Low7 Ų767 Ų674%0.03733%0.326CS..G310 helixtrans-79-8.5177.7-60.4177.9000112.9L53 P54 G55 I59 W64 D68 H71 W72L53-L57 HydrophobicContact CB-CB 4.12Å; L53-L57 HydrophobicContact CD2-CB 4.18Å; P54-L57 WeakPolarHBondContact O-CB 3.43Å; P54-L57 PolarHBondContact O-N 3.31Å; G55-L57 PolarHBondContact O-N 2.88Å; G55-L57 VanDerWaalsContact O-N 3.15Å; L57-I59 PolarHBondContact O-N 3.15Å; L57-W64 HydrophobicContact CB-CZ2 4.44Å; L57-W64 WeakPolarHBondContact O-CZ2 3.43Å; L57-W64 PolarHBondContact O-NE1 2.84Å; L57-D68 HydrophobicContact CD2-CB 3.95Å; L57-D68 WeakPolarHBondContact CD2-O 3.19Å; L57-H71 HydrophobicContact CD1-CB 4.16Å; L57-H71 HydrophobicContact CD2-CB 4.27Å; L57-W72 HydrophobicContact CD1-CB 4.11Å; L57-W72 HydrophobicContact CD2-CB 4.21Å
58R62.6Low67.6Low144 Ų14459.4 Ų59.454%0.54329%0.291SS..G310 helixtrans-69.1-16.4174.9-64.2177.3178.3162-6.4113.2L53 G55 R56 R127L53-R58 HydrophobicContact CB-CG 4.23Å; L53-R58 WeakPolarHBondContact O-CG 3.43Å; L53-R58 PolarHBondContact O-NE 3.11Å; G55-R58 VanDerWaalsContact O-CB 3.26Å; G55-R58 WeakPolarHBondContact O-CB 3.31Å; G55-R58 VanDerWaalsContact O-CG 3.25Å; G55-R58 WeakPolarHBondContact O-CG 3.42Å; G55-R58 PolarHBondContact O-N 2.87Å; R56-R58 VanDerWaalsContact C-N 3.25Å; R56-R58 PolarHBondContact O-N 3Å; R58-R127 PolarHBondContact O-NH1 3.06Å
59I63.5Low70.1Confident12 Ų1253.9 Ų53.96%0.06227%0.265CS..SBendtrans-66.7162.6172.174.1-171.6000110.6R56 L57 L63 W64 R127 D274R56-I59 WeakPolarHBondContact O-CD1 3.34Å; R56-I59 WeakPolarHBondContact O-CG1 3.38Å; L57-I59 PolarHBondContact O-N 3.15Å; I59-L63 HydrophobicContact CD1-CB 4.3Å; I59-L63 HydrophobicContact CG1-CB 4.38Å; I59-W64 PolarHBondContact O-NE1 2.93Å; I59-R127 VanDerWaalsContact C-NH1 3.33Å; I59-D274 HydrophobicContact CG2-CB 4.04Å
60N73.9Confident72.2Confident41 Ų4152.7 Ų52.722%0.21927%0.266CS..  trans-59.2132.7-175.7-178.2-21.5000109S62 L63N60-S62 VanDerWaalsContact CG-OG 3.26Å; N60-S62 PolarHBondContact ND2-OG 2.93Å; N60-S62 PolarHBondContact O-N 3.27Å; N60-S62 PolarHBondContact OD1-N 2.84Å; N60-S62 VanDerWaalsContact OD1-N 3.11Å; N60-S62 PolarHBondContact OD1-OG 2.99Å; N60-S62 VanDerWaalsContact OD1-OG 3.12Å; N60-L63 HydrophobicContact CB-CD1 4.01Å; N60-L63 HydrophobicContact CB-CG 4.06Å; N60-L63 WeakPolarHBondContact O-CA 3.43Å; N60-L63 VanDerWaalsContact O-CB 3.31Å; N60-L63 WeakPolarHBondContact O-CB 3.26Å; N60-L63 PolarHBondContact O-N 2.8Å
61P82.3Confident74.1Confident1 Ų154.1 Ų54.11%0.00627%0.271CS..G310 helixtrans-54.3-25.4179.5-28.535.2000114.9L63 W64 G94 L120 V123 K124P61-L63 PolarHBondContact O-N 2.83Å; P61-W64 HydrophobicContact CB-CD2 4.06Å; P61-W64 HydrophobicContact CB-CE3 3.99Å; P61-W64 HydrophobicContact CB-CH2 3.84Å; P61-W64 HydrophobicContact CB-CZ2 3.91Å; P61-W64 HydrophobicContact CB-CZ3 3.87Å; P61-W64 HydrophobicContact CG-CH2 3.83Å; P61-W64 HydrophobicContact CG-CZ2 3.71Å; P61-W64 HydrophobicContact CG-CZ3 4.37Å; P61-W64 PolarHBondContact O-N 3.14Å; P61-G94 CarbonylContact O-C 3.47Å; P61-G94 VanDerWaalsContact O-C 3.28Å; P61-G94 WeakPolarHBondContact O-CA 3.45Å; P61-L120 HydrophobicContact CB-CD1 3.62Å; P61-L120 HydrophobicContact CG-CD1 3.96Å; P61-V123 HydrophobicContact CG-CB 4.35Å; P61-V123 HydrophobicContact CG-CG1 3.47Å; P61-V123 VanDerWaalsContact CG-CG1 3.47Å; P61-K124 HydrophobicContact CG-CG 4.18Å
62S81.9Confident76Confident28 Ų2850 Ų5020%0.19626%0.255CS..G310 helixtrans-69.5-15.8173.567.10000114.2N60 R95N60-S62 VanDerWaalsContact CG-OG 3.26Å; N60-S62 PolarHBondContact ND2-OG 2.93Å; N60-S62 PolarHBondContact O-N 3.27Å; N60-S62 PolarHBondContact OD1-N 2.84Å; N60-S62 VanDerWaalsContact OD1-N 3.11Å; N60-S62 PolarHBondContact OD1-OG 2.99Å; N60-S62 VanDerWaalsContact OD1-OG 3.12Å; S62-R95 WeakPolarHBondContact O-CG 3.4Å
63L75.6Confident77.6Confident47 Ų4746.9 Ų46.925%0.24624%0.241CC..G310 helixtrans-95.6-6.3179.5-59.1177.5000113.2I59 N60 P61 D65 I258 P259I59-L63 HydrophobicContact CD1-CB 4.3Å; I59-L63 HydrophobicContact CG1-CB 4.38Å; N60-L63 HydrophobicContact CB-CD1 4.01Å; N60-L63 HydrophobicContact CB-CG 4.06Å; N60-L63 WeakPolarHBondContact O-CA 3.43Å; N60-L63 VanDerWaalsContact O-CB 3.31Å; N60-L63 WeakPolarHBondContact O-CB 3.26Å; N60-L63 PolarHBondContact O-N 2.8Å; P61-L63 PolarHBondContact O-N 2.83Å; L63-D65 PolarHBondContact O-N 3.05Å; L63-I258 HydrophobicContact CD2-CG2 4.35Å; L63-P259 HydrophobicContact CD2-CG 4Å
64W86.6Confident78.6Confident4 Ų450.8 Ų50.82%0.01526%0.258CS..  trans-62.9132.2178.6-64.4-12.2000110.5L57 I59 P61 D68 V69 W72 G94 L97 L120 V123L57-W64 HydrophobicContact CB-CZ2 4.44Å; L57-W64 WeakPolarHBondContact O-CZ2 3.43Å; L57-W64 PolarHBondContact O-NE1 2.84Å; I59-W64 PolarHBondContact O-NE1 2.93Å; P61-W64 HydrophobicContact CB-CD2 4.06Å; P61-W64 HydrophobicContact CB-CE3 3.99Å; P61-W64 HydrophobicContact CB-CH2 3.84Å; P61-W64 HydrophobicContact CB-CZ2 3.91Å; P61-W64 HydrophobicContact CB-CZ3 3.87Å; P61-W64 HydrophobicContact CG-CH2 3.83Å; P61-W64 HydrophobicContact CG-CZ2 3.71Å; P61-W64 HydrophobicContact CG-CZ3 4.37Å; P61-W64 PolarHBondContact O-N 3.14Å; W64-D68 HydrophobicContact CB-CB 3.6Å; W64-D68 HydrophobicContact CG-CB 3.92Å; W64-V69 HydrophobicContact CB-CG2 3.97Å; W64-V69 HydrophobicContact CE3-CG2 4.22Å; W64-W72 HydrophobicContact CE3-CB 4.13Å; W64-W72 HydrophobicContact CE3-CG 4.26Å; W64-W72 HydrophobicContact CH2-CB 3.89Å; W64-W72 AromaticContact CH2-CD1 3.36Å; W64-W72 AromaticContact CH2-CD2 3.97Å; W64-W72 HydrophobicContact CH2-CD2 3.97Å; W64-W72 AromaticContact CH2-CG 3.43Å; W64-W72 HydrophobicContact CH2-CG 3.43Å; W64-W72 VanDerWaalsContact CH2-CG 3.43Å; W64-W72 AromaticContact CH2-NE1 3.82Å; W64-W72 HydrophobicContact CZ2-CG 4.45Å; W64-W72 HydrophobicContact CZ3-CB 3.64Å; W64-W72 AromaticContact CZ3-CD1 3.74Å; W64-W72 AromaticContact CZ3-CD2 3.54Å; W64-W72 HydrophobicContact CZ3-CD2 3.54Å; W64-W72 HydrophobicContact CZ3-CE3 4.02Å; W64-W72 AromaticContact CZ3-CG 3.31Å; W64-W72 HydrophobicContact CZ3-CG 3.31Å; W64-G94 WeakPolarHBondContact O-CA 3.25Å; W64-G94 PolarHBondContact O-N 3.25Å; W64-L97 HydrophobicContact CE3-CD2 4.02Å; W64-L97 HydrophobicContact CZ3-CD2 3.96Å; W64-L120 HydrophobicContact CH2-CD1 4.32Å; W64-L120 HydrophobicContact CZ3-CD1 4.09Å; W64-V123 HydrophobicContact CH2-CG1 4.33Å; W64-V123 HydrophobicContact CZ2-CG1 4.25Å
65D83.4Confident80Confident61 Ų6149 Ų4933%0.32624%0.243SC..  trans-74179.1163.161.430.1000110.2R56 L63 E67 D68 V69R56-D65 IonicContact NH2-OD2 2.76Å; R56-D65 PolarHBondContact NH2-OD2 3.07Å; L63-D65 PolarHBondContact O-N 3.05Å; D65-E67 PolarHBondContact O-N 2.99Å; D65-E67 WeakPolarHBondContact OD1-CB 3.41Å; D65-E67 PolarHBondContact OD1-N 3.13Å; D65-D68 PolarHBondContact N-OD2 3.49Å; D65-D68 PolarHBondContact O-N 3.42Å; D65-D68 WeakPolarHBondContact OD1-CB 3.33Å; D65-D68 PolarHBondContact OD1-N 3.5Å; D65-V69 WeakPolarHBondContact O-CG2 3.42Å; D65-V69 PolarHBondContact O-N 2.85Å
66K88Confident81.2Confident87 Ų8746.9 Ų46.938%0.37822%0.222SC..Hα-helixtrans-62.7-36.3-177.3-179-155-178.5-164.10110.9A70 E91 M92K66-A70 PolarHBondContact O-N 3.02Å; K66-A70 VanDerWaalsContact O-N 3.1Å; K66-E91 HydrophobicContact CD-CG 4.34Å; K66-E91 WeakPolarHBondContact CE-OE1 3.21Å; K66-E91 IonicContact NZ-OE1 2.98Å; K66-E91 PolarHBondContact NZ-OE1 2.95Å; K66-M92 WeakPolarHBondContact CA-O 3.3Å
67E87.1Confident82.6Confident101 Ų10141.3 Ų41.347%0.47220%0.202SC..Hα-helixtrans-70.5-41.5179.4-64.764.9-145.900110.9D65 A70 H71D65-E67 PolarHBondContact O-N 2.99Å; D65-E67 WeakPolarHBondContact OD1-CB 3.41Å; D65-E67 PolarHBondContact OD1-N 3.13Å; E67-A70 WeakPolarHBondContact O-CB 3.3Å; E67-A70 PolarHBondContact O-N 3.44Å; E67-H71 VanDerWaalsContact O-CG 3.29Å; E67-H71 PolarHBondContact O-N 2.87Å; E67-H71 PolarHBondContact O-ND1 2.66Å
68D87.2Confident83.5Confident5 Ų548.9 Ų48.93%0.02724%0.235CC..Hα-helixtrans-62.3-41174-69.4-32.7000111.1R56 L57 W64 D65 A70 H71 W72R56-D68 IonicContact CZ-OD1 2.7Å; R56-D68 IonicContact NE-OD1 3.53Å; R56-D68 IonicContact NH2-OD1 3.46Å; R56-D68 PolarHBondContact NH2-OD1 3.5Å; R56-D68 VanDerWaalsContact NH2-OD1 3.09Å; R56-D68 IonicContact NH2-OD2 3.49Å; R56-D68 PolarHBondContact NH2-OD2 3.06Å; L57-D68 HydrophobicContact CD2-CB 3.95Å; L57-D68 WeakPolarHBondContact CD2-O 3.19Å; W64-D68 HydrophobicContact CB-CB 3.6Å; W64-D68 HydrophobicContact CG-CB 3.92Å; D65-D68 PolarHBondContact N-OD2 3.49Å; D65-D68 PolarHBondContact O-N 3.42Å; D65-D68 WeakPolarHBondContact OD1-CB 3.33Å; D65-D68 PolarHBondContact OD1-N 3.5Å; D68-A70 VanDerWaalsContact C-N 3.33Å; D68-A70 PolarHBondContact O-N 3.37Å; D68-H71 PolarHBondContact O-N 3.15Å; D68-W72 WeakPolarHBondContact O-CB 3.12Å; D68-W72 PolarHBondContact O-N 3.1Å
69V90.1Very high84.4Confident0 Ų045.9 Ų45.90%023%0.227CC..Hα-helixtrans-61.4-42.2172.6172.10000111.1W64 D65 W72 L73 F90 M92 L97W64-V69 HydrophobicContact CB-CG2 3.97Å; W64-V69 HydrophobicContact CE3-CG2 4.22Å; D65-V69 WeakPolarHBondContact O-CG2 3.42Å; D65-V69 PolarHBondContact O-N 2.85Å; V69-W72 PolarHBondContact O-N 3.16Å; V69-L73 HydrophobicContact CG1-CD1 3.94Å; V69-L73 WeakPolarHBondContact O-CD1 3.44Å; V69-L73 WeakPolarHBondContact O-CG 3.08Å; V69-L73 PolarHBondContact O-N 2.85Å; V69-F90 HydrophobicContact CG1-CB 4.43Å; V69-M92 WeakPolarHBondContact CG2-O 3.41Å; V69-L97 HydrophobicContact CG1-CD1 4.2Å; V69-L97 HydrophobicContact CG1-CD2 4.05Å; V69-L97 HydrophobicContact CG2-CB 4.45Å; V69-L97 HydrophobicContact CG2-CD2 4.07Å
70A89.7Confident85.3Confident55 Ų5549.8 Ų49.846%0.45524%0.241SC..Hα-helixtrans-65.1-40.7176.400000112.1K66 E67 D68 L73 H74K66-A70 PolarHBondContact O-N 3.02Å; K66-A70 VanDerWaalsContact O-N 3.1Å; E67-A70 WeakPolarHBondContact O-CB 3.3Å; E67-A70 PolarHBondContact O-N 3.44Å; D68-A70 VanDerWaalsContact C-N 3.33Å; D68-A70 PolarHBondContact O-N 3.37Å; A70-L73 PolarHBondContact O-N 3.01Å; A70-H74 WeakPolarHBondContact O-CB 3.21Å; A70-H74 PolarHBondContact O-N 2.76Å
71H86.9Confident85.8Confident110 Ų11053.1 Ų53.151%0.50927%0.268SS..Hα-helixtrans-64.6-42.2174.3-69.4131.5000112L57 E67 D68 H74 W75L57-H71 HydrophobicContact CD1-CB 4.16Å; L57-H71 HydrophobicContact CD2-CB 4.27Å; E67-H71 VanDerWaalsContact O-CG 3.29Å; E67-H71 PolarHBondContact O-N 2.87Å; E67-H71 PolarHBondContact O-ND1 2.66Å; D68-H71 PolarHBondContact O-N 3.15Å; H71-H74 PolarHBondContact O-N 3.08Å; H71-W75 WeakPolarHBondContact O-CB 3.4Å; H71-W75 PolarHBondContact O-N 2.83Å
72W89.7Confident85.9Confident0 Ų054.5 Ų54.50%028%0.275CS..Hα-helixtrans-61.1-46.2175.316872.3000111.6L57 W64 D68 V69 H74 W75 A76 L97 F105 L116 I119 L120L57-W72 HydrophobicContact CD1-CB 4.11Å; L57-W72 HydrophobicContact CD2-CB 4.21Å; W64-W72 HydrophobicContact CE3-CB 4.13Å; W64-W72 HydrophobicContact CE3-CG 4.26Å; W64-W72 HydrophobicContact CH2-CB 3.89Å; W64-W72 AromaticContact CH2-CD1 3.36Å; W64-W72 AromaticContact CH2-CD2 3.97Å; W64-W72 HydrophobicContact CH2-CD2 3.97Å; W64-W72 AromaticContact CH2-CG 3.43Å; W64-W72 HydrophobicContact CH2-CG 3.43Å; W64-W72 VanDerWaalsContact CH2-CG 3.43Å; W64-W72 AromaticContact CH2-NE1 3.82Å; W64-W72 HydrophobicContact CZ2-CG 4.45Å; W64-W72 HydrophobicContact CZ3-CB 3.64Å; W64-W72 AromaticContact CZ3-CD1 3.74Å; W64-W72 AromaticContact CZ3-CD2 3.54Å; W64-W72 HydrophobicContact CZ3-CD2 3.54Å; W64-W72 HydrophobicContact CZ3-CE3 4.02Å; W64-W72 AromaticContact CZ3-CG 3.31Å; W64-W72 HydrophobicContact CZ3-CG 3.31Å; D68-W72 WeakPolarHBondContact O-CB 3.12Å; D68-W72 PolarHBondContact O-N 3.1Å; V69-W72 PolarHBondContact O-N 3.16Å; W72-H74 VanDerWaalsContact C-N 3.32Å; W72-H74 PolarHBondContact O-N 3.4Å; W72-W75 AromaticContact CD1-CE3 3.98Å; W72-W75 PolarHBondContact O-N 3.3Å; W72-A76 WeakPolarHBondContact O-CB 3.29Å; W72-A76 PolarHBondContact O-N 3.04Å; W72-L97 HydrophobicContact CE3-CD2 3.82Å; W72-L97 HydrophobicContact CH2-CD2 4.5Å; W72-L97 HydrophobicContact CZ3-CD1 4.18Å; W72-L97 HydrophobicContact CZ3-CD2 3.75Å; W72-F105 HydrophobicContact CH2-CE1 4.02Å; W72-F105 HydrophobicContact CZ3-CE1 4.32Å; W72-L116 HydrophobicContact CH2-CB 4.17Å; W72-L116 HydrophobicContact CH2-CD2 4.16Å; W72-L116 HydrophobicContact CZ2-CD2 4.47Å; W72-I119 HydrophobicContact CZ2-CB 4.41Å; W72-I119 HydrophobicContact CZ2-CG2 4.08Å; W72-L120 HydrophobicContact CH2-CB 4.15Å; W72-L120 HydrophobicContact CZ2-CB 3.91Å
73L90.2Very high85.9Confident14 Ų1462.1 Ų62.17%0.07330%0.3CS..Hα-helixtrans-60.7-42.8175.9-76.5159.5000111.7V69 A70 A76 Q77 F90 L116V69-L73 HydrophobicContact CG1-CD1 3.94Å; V69-L73 WeakPolarHBondContact O-CD1 3.44Å; V69-L73 WeakPolarHBondContact O-CG 3.08Å; V69-L73 PolarHBondContact O-N 2.85Å; A70-L73 PolarHBondContact O-N 3.01Å; L73-A76 PolarHBondContact O-N 3.09Å; L73-Q77 WeakPolarHBondContact O-CB 3.46Å; L73-Q77 WeakPolarHBondContact O-CG 3.32Å; L73-Q77 PolarHBondContact O-N 3.06Å; L73-Q77 PolarHBondContact O-NE2 3.36Å; L73-Q77 VanDerWaalsContact O-NE2 3.09Å; L73-F90 HydrophobicContact CD1-CB 3.29Å; L73-F90 HydrophobicContact CD1-CD2 3.93Å; L73-F90 HydrophobicContact CD1-CG 3.68Å; L73-F90 HydrophobicContact CD2-CD2 3.96Å; L73-F90 HydrophobicContact CD2-CE2 4.23Å; L73-F90 HydrophobicContact CD2-CG 4.18Å; L73-L116 HydrophobicContact CD2-CD1 3.95Å; L73-L116 HydrophobicContact CD2-CD2 4.15Å
74H87.4Confident85.7Confident96 Ų9668.6 Ų68.644%0.44432%0.321SS..Hα-helixtrans-64.8-42.5178.4-17460.1000112.1A70 H71 W72 K78A70-H74 WeakPolarHBondContact O-CB 3.21Å; A70-H74 PolarHBondContact O-N 2.76Å; H71-H74 PolarHBondContact O-N 3.08Å; W72-H74 VanDerWaalsContact C-N 3.32Å; W72-H74 PolarHBondContact O-N 3.4Å; H74-K78 PolarHBondContact O-N 2.96Å; H74-K78 VanDerWaalsContact O-N 3.14Å
75W88.5Confident85.1Confident27 Ų2769.5 Ų69.510%0.10233%0.327CS..Hα-helixtrans-61.2-51.4173.3168.277.5000111.2L53 P54 H71 W72 Q77 K78 E79 Y80 I119L53-W75 HydrophobicContact CD2-CD2 4.02Å; L53-W75 HydrophobicContact CD2-CE3 3.58Å; L53-W75 HydrophobicContact CD2-CH2 3.93Å; L53-W75 HydrophobicContact CD2-CZ2 4.33Å; L53-W75 HydrophobicContact CD2-CZ3 3.54Å; L53-W75 HydrophobicContact CG-CH2 4.49Å; P54-W75 HydrophobicContact CG-CG 4.13Å; H71-W75 WeakPolarHBondContact O-CB 3.4Å; H71-W75 PolarHBondContact O-N 2.83Å; W72-W75 AromaticContact CD1-CE3 3.98Å; W72-W75 PolarHBondContact O-N 3.3Å; W75-Q77 VanDerWaalsContact C-N 3.26Å; W75-Q77 PolarHBondContact O-N 2.85Å; W75-K78 PolarHBondContact O-N 3Å; W75-E79 HydrophobicContact CZ2-CB 4.21Å; W75-E79 HydrophobicContact CZ2-CG 3.91Å; W75-E79 PolarHBondContact NE1-OE2 3.36Å; W75-E79 WeakPolarHBondContact O-CB 3.47Å; W75-E79 PolarHBondContact O-N 3.45Å; W75-Y80 AromaticContact CH2-CE2 3.84Å; W75-Y80 HydrophobicContact CH2-CE2 3.84Å; W75-Y80 HydrophobicContact CZ2-CE2 4.47Å; W75-Y80 HydrophobicContact CZ3-CE2 4.19Å; W75-I119 HydrophobicContact CH2-CG2 4.47Å; W75-I119 HydrophobicContact CZ3-CG2 3.88Å
76A88.2Confident84.6Confident0 Ų073.7 Ų73.70%035%0.345CS..Hα-helixtrans-60.7-35.7-178.700000112.2W72 L73 Y80 L116 I119W72-A76 WeakPolarHBondContact O-CB 3.29Å; W72-A76 PolarHBondContact O-N 3.04Å; L73-A76 PolarHBondContact O-N 3.09Å; A76-Y80 WeakPolarHBondContact O-CB 3.4Å; A76-Y80 WeakPolarHBondContact O-CD2 3.43Å; A76-Y80 PolarHBondContact O-N 2.73Å; A76-L116 HydrophobicContact CB-CD2 3.82Å; A76-I119 HydrophobicContact CB-CD1 4.22Å
77Q86.8Confident83.9Confident28 Ų2879.8 Ų79.813%0.13137%0.371CS..Hα-helixtrans-63.3-43.9172.9-72.915632.500112.4L73 W75 S81 L82L73-Q77 WeakPolarHBondContact O-CB 3.46Å; L73-Q77 WeakPolarHBondContact O-CG 3.32Å; L73-Q77 PolarHBondContact O-N 3.06Å; L73-Q77 PolarHBondContact O-NE2 3.36Å; L73-Q77 VanDerWaalsContact O-NE2 3.09Å; W75-Q77 VanDerWaalsContact C-N 3.26Å; W75-Q77 PolarHBondContact O-N 2.85Å; Q77-S81 CarbonylContact O-C 3.48Å; Q77-S81 WeakPolarHBondContact O-CA 3.21Å; Q77-S81 PolarHBondContact O-N 3.18Å; Q77-L82 PolarHBondContact O-N 3Å
78K84.3Confident83.4Confident166 Ų16677.1 Ų77.172%0.72237%0.371SS*.Hα-helixtrans-70.1-44.6-178.9-173.4-177.7177.4-172.80111.3H74 W75H74-K78 PolarHBondContact O-N 2.96Å; H74-K78 VanDerWaalsContact O-N 3.14Å; W75-K78 PolarHBondContact O-N 3Å
79E81.9Confident83.3Confident81 Ų8179.7 Ų79.738%0.37938%0.383SS..Hα-helixtrans-71.5-46.3-175-162.866.8-136.900111.8W75W75-E79 HydrophobicContact CZ2-CB 4.21Å; W75-E79 HydrophobicContact CZ2-CG 3.91Å; W75-E79 PolarHBondContact NE1-OE2 3.36Å; W75-E79 WeakPolarHBondContact O-CB 3.47Å; W75-E79 PolarHBondContact O-N 3.45Å
80Y82.4Confident83.1Confident93 Ų9380.3 Ų80.337%0.36539%0.385SS..THydrogen-bonded Turntrans-98.311.2-177-61.4-90.6000112.9W75 A76 L82 I119W75-Y80 AromaticContact CH2-CE2 3.84Å; W75-Y80 HydrophobicContact CH2-CE2 3.84Å; W75-Y80 HydrophobicContact CZ2-CE2 4.47Å; W75-Y80 HydrophobicContact CZ3-CE2 4.19Å; A76-Y80 WeakPolarHBondContact O-CB 3.4Å; A76-Y80 WeakPolarHBondContact O-CD2 3.43Å; A76-Y80 PolarHBondContact O-N 2.73Å; Y80-L82 WeakPolarHBondContact O-CD2 3.28Å; Y80-L82 PolarHBondContact O-N 2.83Å; Y80-I119 HydrophobicContact CD1-CD1 4.18Å; Y80-I119 HydrophobicContact CD2-CD1 3.31Å; Y80-I119 HydrophobicContact CD2-CG1 4.1Å; Y80-I119 HydrophobicContact CE1-CD1 4.33Å; Y80-I119 HydrophobicContact CE1-CG1 4.29Å; Y80-I119 HydrophobicContact CE2-CD1 3.49Å; Y80-I119 VanDerWaalsContact CE2-CD1 3.49Å; Y80-I119 HydrophobicContact CE2-CG1 3.76Å; Y80-I119 HydrophobicContact CE2-CG2 4.26Å; Y80-I119 HydrophobicContact CG-CD1 3.68Å
81S83.6Confident83.2Confident111 Ų11183.6 Ų83.678%0.77639%0.391SS*.THydrogen-bonded Turntrans50.140.8-179.5-61.50000113.4Q77Q77-S81 CarbonylContact O-C 3.48Å; Q77-S81 WeakPolarHBondContact O-CA 3.21Å; Q77-S81 PolarHBondContact O-N 3.18Å
82L85.2Confident83.3Confident31 Ų3179.6 Ų79.616%0.16237%0.373CS..PPolyproline II helixtrans-82.5150-175.7-52.4174.6000111.7Q77 Y80 R84 V115 L116 I119Q77-L82 PolarHBondContact O-N 3Å; Y80-L82 WeakPolarHBondContact O-CD2 3.28Å; Y80-L82 PolarHBondContact O-N 2.83Å; L82-R84 PolarHBondContact O-N 3.39Å; L82-V115 HydrophobicContact CD1-CG1 4.18Å; L82-V115 HydrophobicContact CD2-CB 4.33Å; L82-V115 HydrophobicContact CD2-CG1 4Å; L82-L116 HydrophobicContact CD1-CD2 3.75Å; L82-L116 HydrophobicContact CD1-CG 4.05Å; L82-I119 HydrophobicContact CD1-CD1 4.23Å
83R80.5Confident83.3Confident188 Ų18883.3 Ų83.371%0.70939%0.393SS*.PPolyproline II helixtrans-62.1134.2171.8-167.1-169-69.7-171.1-0.6109.4P85R83-P85 WeakPolarHBondContact O-CD 3.48Å
84R72.4Confident83.1Confident182 Ų18282.7 Ų82.769%0.68739%0.39SS*.PPolyproline II helixtrans-54.7121175.2-101.7-178.4179.1118.7-2.3110.2L82L82-R84 PolarHBondContact O-N 3.39Å
85P74.2Confident83Confident24 Ų2484.3 Ų84.316%0.15639%0.392CS..PPolyproline II helixtrans-58.5143.9164.1-16.730.2000109.3R83 F90 L116R83-P85 WeakPolarHBondContact O-CD 3.48Å; P85-F90 HydrophobicContact CB-CD2 4.25Å; P85-F90 HydrophobicContact CB-CE2 4.14Å; P85-F90 HydrophobicContact CG-CE2 4.31Å; P85-L116 HydrophobicContact CG-CD1 4.42Å
86E72.8Confident83Confident149 Ų14984.7 Ų84.770%0.69640%0.401SS*.PPolyproline II helixtrans-58.3142.6173.7-90.2176.3-168.300110.5G88 H89E86-G88 PolarHBondContact O-N 3.21Å; E86-H89 WeakPolarHBondContact CB-CE1 3.2Å; E86-H89 WeakPolarHBondContact CB-ND1 3.42Å; E86-H89 PolarHBondContact O-N 3.31Å; E86-H89 PolarHBondContact O-ND1 3.09Å; E86-H89 IonicContact OE2-CE1 3.21Å; E86-H89 PolarHBondContact OE2-CE1 2.96Å; E86-H89 IonicContact OE2-NE2 3.73Å
87K73.8Confident83.2Confident214 Ų21484.7 Ų84.793%0.9340%0.401SS*.THydrogen-bonded Turntrans-53.7132.4179.5-95.8179.8174.3-179.90110.2
88G76.6Confident83.4Confident45 Ų4584.7 Ų84.746%0.46440%0.404SS..THydrogen-bonded Turntrans98.9-18.5175.600000115.8E86 F90 E91E86-G88 PolarHBondContact O-N 3.21Å; G88-F90 PolarHBondContact O-N 2.66Å; G88-F90 VanDerWaalsContact O-N 3.15Å; G88-E91 WeakPolarHBondContact O-CB 3.45Å; G88-E91 PolarHBondContact O-N 2.95Å; G88-E91 VanDerWaalsContact O-N 3.16Å
89H83.3Confident83.7Confident59 Ų5983.7 Ų83.727%0.27341%0.405SS..THydrogen-bonded Turntrans-62.4-28.7-175.5-77.183.9000114.6E86 R108E86-H89 WeakPolarHBondContact CB-CE1 3.2Å; E86-H89 WeakPolarHBondContact CB-ND1 3.42Å; E86-H89 PolarHBondContact O-N 3.31Å; E86-H89 PolarHBondContact O-ND1 3.09Å; E86-H89 IonicContact OE2-CE1 3.21Å; E86-H89 PolarHBondContact OE2-CE1 2.96Å; E86-H89 IonicContact OE2-NE2 3.73Å; H89-R108 HydrophobicContact CB-CB 4.31Å; H89-R108 PolarHBondContact CD2-O 3.03Å; H89-R108 WeakPolarHBondContact O-CD 3.42Å; H89-R108 PolarHBondContact O-NH1 3.03Å
90F87.5Confident84.1Confident14 Ų1480.9 Ų80.96%0.06139%0.393CS..THydrogen-bonded Turntrans-121.631.9178.7-65.3-83.6000111.6V69 L73 P85 G88 M92 L97 L100 F105 R108 C109 L116V69-F90 HydrophobicContact CG1-CB 4.43Å; L73-F90 HydrophobicContact CD1-CB 3.29Å; L73-F90 HydrophobicContact CD1-CD2 3.93Å; L73-F90 HydrophobicContact CD1-CG 3.68Å; L73-F90 HydrophobicContact CD2-CD2 3.96Å; L73-F90 HydrophobicContact CD2-CE2 4.23Å; L73-F90 HydrophobicContact CD2-CG 4.18Å; P85-F90 HydrophobicContact CB-CD2 4.25Å; P85-F90 HydrophobicContact CB-CE2 4.14Å; P85-F90 HydrophobicContact CG-CE2 4.31Å; G88-F90 PolarHBondContact O-N 2.66Å; G88-F90 VanDerWaalsContact O-N 3.15Å; F90-M92 PolarHBondContact O-N 3.43Å; F90-L97 HydrophobicContact CD1-CD1 3.66Å; F90-L97 HydrophobicContact CE1-CD1 4.19Å; F90-L100 HydrophobicContact CD1-CD1 4.47Å; F90-L100 HydrophobicContact CE1-CD1 4.3Å; F90-F105 HydrophobicContact CD1-CE1 4.32Å; F90-F105 AromaticContact CE1-CD1 3.52Å; F90-F105 HydrophobicContact CE1-CD1 3.52Å; F90-F105 AromaticContact CE1-CE1 3.47Å; F90-F105 HydrophobicContact CE1-CE1 3.47Å; F90-F105 VanDerWaalsContact CE1-CE1 3.47Å; F90-F105 HydrophobicContact CE1-CG 4.31Å; F90-F105 HydrophobicContact CE1-CZ 4.25Å; F90-F105 AromaticContact CZ-CD1 3.76Å; F90-F105 HydrophobicContact CZ-CD1 3.76Å; F90-F105 HydrophobicContact CZ-CE1 4.08Å; F90-R108 HydrophobicContact CE1-CB 4.22Å; F90-R108 HydrophobicContact CE2-CB 4.18Å; F90-R108 HydrophobicContact CZ-CB 3.82Å; F90-C109 HydrophobicContact CE2-CB 4.04Å; F90-C109 HydrophobicContact CZ-CB 4.21Å; F90-L116 HydrophobicContact CE2-CD1 4.33Å; F90-L116 HydrophobicContact CZ-CD1 4.3Å
91E90.2Very high84.5Confident124 Ų12479.6 Ų79.658%0.57940%0.395SS*.  trans-73.973.3177.2-162.7169.3175.600111K66 G88K66-E91 HydrophobicContact CD-CG 4.34Å; K66-E91 WeakPolarHBondContact CE-OE1 3.21Å; K66-E91 IonicContact NZ-OE1 2.98Å; K66-E91 PolarHBondContact NZ-OE1 2.95Å; G88-E91 WeakPolarHBondContact O-CB 3.45Å; G88-E91 PolarHBondContact O-N 2.95Å; G88-E91 VanDerWaalsContact O-N 3.16Å
92M90.1Very high84.9Confident25 Ų2578 Ų7812%0.12337%0.374CS..SBendtrans-154.8164-173.369.3-171.163.900110.9K66 V69 F90 A96 L97 L100 R108K66-M92 WeakPolarHBondContact CA-O 3.3Å; V69-M92 WeakPolarHBondContact CG2-O 3.41Å; F90-M92 PolarHBondContact O-N 3.43Å; M92-A96 HydrophobicContact CB-CB 3.85Å; M92-A96 HydrophobicContact CG-CB 4.08Å; M92-A96 HydrophobicContact SD-CB 3.96Å; M92-L97 HydrophobicContact CG-CB 4.36Å; M92-L97 HydrophobicContact SD-CB 4.22Å; M92-L97 HydrophobicContact SD-CD1 4.26Å; M92-L100 HydrophobicContact CE-CD1 4.15Å; M92-L100 HydrophobicContact SD-CD1 3.8Å; M92-L100 HydrophobicContact SD-CG 4.29Å; M92-R108 VanDerWaalsContact CE-NH1 3.29Å
93N89.2Confident85.2Confident79 Ų7982.1 Ų82.142%0.42239%0.392SS..  trans-80166.5171.362.841000111.6R95 A96 L97N93-R95 PolarHBondContact O-N 3.3Å; N93-R95 WeakPolarHBondContact OD1-CB 3.21Å; N93-R95 PolarHBondContact OD1-N 2.83Å; N93-A96 PolarHBondContact O-N 3.45Å; N93-A96 VanDerWaalsContact O-N 3.16Å; N93-A96 PolarHBondContact OD1-N 3.38Å; N93-L97 PolarHBondContact O-N 2.96Å
94G87.4Confident85.8Confident0 Ų074.9 Ų74.90%037%0.368CS..Hα-helixtrans-57.6-29.8-179.500000115.3P61 W64 L97 C98P61-G94 CarbonylContact O-C 3.47Å; P61-G94 VanDerWaalsContact O-C 3.28Å; P61-G94 WeakPolarHBondContact O-CA 3.45Å; W64-G94 WeakPolarHBondContact O-CA 3.25Å; W64-G94 PolarHBondContact O-N 3.25Å; G94-L97 PolarHBondContact O-N 3.32Å; G94-C98 WeakPolarHBondContact O-CB 3.48Å; G94-C98 PolarHBondContact O-N 3.15Å; G94-C98 PolarHBondContact O-SG 2.87Å
95R83.9Confident86.8Confident130 Ų13066.2 Ų66.249%0.49134%0.335SS..Hα-helixtrans-65.7-50.5174.7-61.8-170.4-169.7-170.410.9111.4S62 N93 L97 C98 L99S62-R95 WeakPolarHBondContact O-CG 3.4Å; N93-R95 PolarHBondContact O-N 3.3Å; N93-R95 WeakPolarHBondContact OD1-CB 3.21Å; N93-R95 PolarHBondContact OD1-N 2.83Å; R95-L97 VanDerWaalsContact C-N 3.27Å; R95-L97 PolarHBondContact O-N 3.44Å; R95-C98 PolarHBondContact O-N 3.28Å; R95-L99 WeakPolarHBondContact O-CG 3.43Å; R95-L99 PolarHBondContact O-N 3.23Å
96A89Confident87.6Confident36 Ų3670.6 Ų70.630%0.29835%0.349SS..Hα-helixtrans-60-42.5176.500000110.4M92 N93 C98 L99 L100M92-A96 HydrophobicContact CB-CB 3.85Å; M92-A96 HydrophobicContact CG-CB 4.08Å; M92-A96 HydrophobicContact SD-CB 3.96Å; N93-A96 PolarHBondContact O-N 3.45Å; N93-A96 VanDerWaalsContact O-N 3.16Å; N93-A96 PolarHBondContact OD1-N 3.38Å; A96-C98 VanDerWaalsContact C-N 3.33Å; A96-C98 PolarHBondContact O-N 3.19Å; A96-L99 PolarHBondContact O-N 3.29Å; A96-L100 WeakPolarHBondContact O-CG 3.29Å; A96-L100 PolarHBondContact O-N 3.46Å
97L93.1Very high88.5Confident0 Ų070 Ų700%034%0.34CS..Hα-helixtrans-58-42.8175.9-17176.2000112.4W64 V69 W72 F90 M92 N93 G94 R95 L99 L100 F105 L120W64-L97 HydrophobicContact CE3-CD2 4.02Å; W64-L97 HydrophobicContact CZ3-CD2 3.96Å; V69-L97 HydrophobicContact CG1-CD1 4.2Å; V69-L97 HydrophobicContact CG1-CD2 4.05Å; V69-L97 HydrophobicContact CG2-CB 4.45Å; V69-L97 HydrophobicContact CG2-CD2 4.07Å; W72-L97 HydrophobicContact CE3-CD2 3.82Å; W72-L97 HydrophobicContact CH2-CD2 4.5Å; W72-L97 HydrophobicContact CZ3-CD1 4.18Å; W72-L97 HydrophobicContact CZ3-CD2 3.75Å; F90-L97 HydrophobicContact CD1-CD1 3.66Å; F90-L97 HydrophobicContact CE1-CD1 4.19Å; M92-L97 HydrophobicContact CG-CB 4.36Å; M92-L97 HydrophobicContact SD-CB 4.22Å; M92-L97 HydrophobicContact SD-CD1 4.26Å; N93-L97 PolarHBondContact O-N 2.96Å; G94-L97 PolarHBondContact O-N 3.32Å; R95-L97 VanDerWaalsContact C-N 3.27Å; R95-L97 PolarHBondContact O-N 3.44Å; L97-L99 VanDerWaalsContact C-N 3.29Å; L97-L99 PolarHBondContact O-N 2.97Å; L97-L100 HydrophobicContact CD1-CD1 4.33Å; L97-L100 WeakPolarHBondContact O-CB 3.32Å; L97-L100 PolarHBondContact O-N 3.26Å; L97-F105 HydrophobicContact CD1-CE1 3.99Å; L97-F105 HydrophobicContact CD1-CZ 3.58Å; L97-F105 HydrophobicContact CG-CZ 3.96Å; L97-L120 HydrophobicContact CD2-CD1 4.24Å; L97-L120 HydrophobicContact CD2-CD2 4.17Å; L97-L120 HydrophobicContact CG-CD2 3.97Å
98C90.2Very high89.3Confident28 Ų2864 Ų6419%0.18931%0.312CS..Hα-helixtrans-71.1-21.1-179.7-73.50000114.5G94 R95 A96G94-C98 WeakPolarHBondContact O-CB 3.48Å; G94-C98 PolarHBondContact O-N 3.15Å; G94-C98 PolarHBondContact O-SG 2.87Å; R95-C98 PolarHBondContact O-N 3.28Å; A96-C98 VanDerWaalsContact C-N 3.33Å; A96-C98 PolarHBondContact O-N 3.19Å
99L89.9Confident89.9Confident144 Ų14462.1 Ų62.175%0.75429%0.291SS*.Hα-helixtrans-85.2-16177.4-69.3172.6000112.6R95 A96 L97 T101R95-L99 WeakPolarHBondContact O-CG 3.43Å; R95-L99 PolarHBondContact O-N 3.23Å; A96-L99 PolarHBondContact O-N 3.29Å; L97-L99 VanDerWaalsContact C-N 3.29Å; L97-L99 PolarHBondContact O-N 2.97Å; L99-T101 PolarHBondContact O-N 3.03Å
100L90.8Very high90.1Very high23 Ų2364.5 Ų64.512%0.1231%0.312CS..  trans-64.8132.6177.2-63.7-174.4000110.4F90 M92 A96 L97 D104 F105F90-L100 HydrophobicContact CD1-CD1 4.47Å; F90-L100 HydrophobicContact CE1-CD1 4.3Å; M92-L100 HydrophobicContact CE-CD1 4.15Å; M92-L100 HydrophobicContact SD-CD1 3.8Å; M92-L100 HydrophobicContact SD-CG 4.29Å; A96-L100 WeakPolarHBondContact O-CG 3.29Å; A96-L100 PolarHBondContact O-N 3.46Å; L97-L100 HydrophobicContact CD1-CD1 4.33Å; L97-L100 WeakPolarHBondContact O-CB 3.32Å; L97-L100 PolarHBondContact O-N 3.26Å; L100-D104 HydrophobicContact CB-CB 3.95Å; L100-D104 HydrophobicContact CD2-CB 3.94Å; L100-D104 HydrophobicContact CG-CB 4.38Å; L100-F105 HydrophobicContact CB-CD2 3.71Å; L100-F105 HydrophobicContact CB-CE2 3.53Å; L100-F105 HydrophobicContact CD1-CD2 4.22Å; L100-F105 HydrophobicContact CD1-CE2 3.98Å; L100-F105 HydrophobicContact CD1-CZ 4.3Å; L100-F105 HydrophobicContact CG-CE2 4.35Å
101T91.8Very high90.1Very high66 Ų6667 Ų6741%0.40533%0.331SS..  trans-73.8164.5170.467.10000110.3L99 E103 D104 F105L99-T101 PolarHBondContact O-N 3.03Å; T101-E103 PolarHBondContact O-N 3.04Å; T101-E103 PolarHBondContact OG1-N 2.91Å; T101-D104 WeakPolarHBondContact CB-OD2 3.23Å; T101-D104 PolarHBondContact N-OD2 3.49Å; T101-D104 WeakPolarHBondContact O-CB 3.3Å; T101-D104 PolarHBondContact O-N 2.9Å; T101-D104 VanDerWaalsContact OG1-CG 3.24Å; T101-D104 PolarHBondContact OG1-N 2.75Å; T101-D104 PolarHBondContact OG1-OD2 3.37Å; T101-F105 WeakPolarHBondContact O-CD2 3.43Å; T101-F105 PolarHBondContact O-N 2.73Å; T101-F105 VanDerWaalsContact O-N 3.16Å
102K91.5Very high90.1Very high77 Ų7761.2 Ų61.234%0.33530%0.304SS..Hα-helixtrans-54.4-35.9172.4-171.6168.2-176.7164.30111.9F105 R106 Y117 E118K102-F105 PolarHBondContact O-N 3.43Å; K102-R106 WeakPolarHBondContact O-CG 3.42Å; K102-R106 PolarHBondContact O-N 3.31Å; K102-R106 VanDerWaalsContact O-N 3.13Å; K102-Y117 HydrophobicContact CB-CD1 3.66Å; K102-Y117 HydrophobicContact CB-CD2 4.03Å; K102-Y117 HydrophobicContact CB-CE1 3.72Å; K102-Y117 HydrophobicContact CB-CE2 4.08Å; K102-Y117 HydrophobicContact CB-CG 3.8Å; K102-Y117 HydrophobicContact CD-CD1 3.79Å; K102-Y117 HydrophobicContact CD-CE1 4.08Å; K102-Y117 HydrophobicContact CG-CD1 3.64Å; K102-Y117 HydrophobicContact CG-CE1 4.12Å; K102-Y117 HydrophobicContact CG-CG 3.89Å; K102-Y117 VanDerWaalsContact N-CE2 3.32Å; K102-E118 WeakPolarHBondContact CE-OE1 3.49Å; K102-E118 IonicContact NZ-OE1 3.18Å; K102-E118 PolarHBondContact NZ-OE1 3.08Å
103E91.3Very high90.1Very high117 Ų11760 Ų6055%0.54730%0.299SS..Hα-helixtrans-67.5-39.8177.5-160.7-168.7-17000112.1T101 F105 R106 R107T101-E103 PolarHBondContact O-N 3.04Å; T101-E103 PolarHBondContact OG1-N 2.91Å; E103-F105 VanDerWaalsContact C-N 3.31Å; E103-F105 PolarHBondContact O-N 3.09Å; E103-R106 WeakPolarHBondContact O-CB 3.36Å; E103-R106 PolarHBondContact O-N 3.44Å; E103-R106 VanDerWaalsContact O-N 3.14Å; E103-R107 PolarHBondContact O-N 2.83Å; E103-R107 IonicContact OE1-NH1 2.95Å; E103-R107 PolarHBondContact OE1-NH1 2.9Å; E103-R107 IonicContact OE2-CZ 3.98Å; E103-R107 IonicContact OE2-NH1 3.03Å; E103-R107 PolarHBondContact OE2-NH1 2.8Å; E103-R107 IonicContact OE2-NH2 3.39Å; E103-R107 PolarHBondContact OE2-NH2 2.96Å
104D92.4Very high90.1Very high37 Ų3758.4 Ų58.420%0.19829%0.29CS..Hα-helixtrans-63.1-38.5176-63.8-51.8000112.4L100 T101 R107 R108L100-D104 HydrophobicContact CB-CB 3.95Å; L100-D104 HydrophobicContact CD2-CB 3.94Å; L100-D104 HydrophobicContact CG-CB 4.38Å; T101-D104 WeakPolarHBondContact CB-OD2 3.23Å; T101-D104 PolarHBondContact N-OD2 3.49Å; T101-D104 WeakPolarHBondContact O-CB 3.3Å; T101-D104 PolarHBondContact O-N 2.9Å; T101-D104 VanDerWaalsContact OG1-CG 3.24Å; T101-D104 PolarHBondContact OG1-N 2.75Å; T101-D104 PolarHBondContact OG1-OD2 3.37Å; D104-R107 PolarHBondContact O-N 3.18Å; D104-R107 IonicContact OD1-CZ 2.66Å; D104-R107 IonicContact OD1-NE 3.42Å; D104-R107 IonicContact OD1-NH2 2.77Å; D104-R107 PolarHBondContact OD1-NH2 3.35Å; D104-R108 WeakPolarHBondContact O-CB 3.35Å; D104-R108 VanDerWaalsContact O-CG 3.29Å; D104-R108 WeakPolarHBondContact O-CG 3.33Å; D104-R108 PolarHBondContact O-N 3.18Å
105F93.3Very high90.2Very high0 Ų061 Ų610%031%0.306CS..Hα-helixtrans-63.6-41.3173-88.9-93.4000111.8W72 F90 L97 L100 T101 K102 E103 R108 C109 G113 L116 Y117 L120W72-F105 HydrophobicContact CH2-CE1 4.02Å; W72-F105 HydrophobicContact CZ3-CE1 4.32Å; F90-F105 HydrophobicContact CD1-CE1 4.32Å; F90-F105 AromaticContact CE1-CD1 3.52Å; F90-F105 HydrophobicContact CE1-CD1 3.52Å; F90-F105 AromaticContact CE1-CE1 3.47Å; F90-F105 HydrophobicContact CE1-CE1 3.47Å; F90-F105 VanDerWaalsContact CE1-CE1 3.47Å; F90-F105 HydrophobicContact CE1-CG 4.31Å; F90-F105 HydrophobicContact CE1-CZ 4.25Å; F90-F105 AromaticContact CZ-CD1 3.76Å; F90-F105 HydrophobicContact CZ-CD1 3.76Å; F90-F105 HydrophobicContact CZ-CE1 4.08Å; L97-F105 HydrophobicContact CD1-CE1 3.99Å; L97-F105 HydrophobicContact CD1-CZ 3.58Å; L97-F105 HydrophobicContact CG-CZ 3.96Å; L100-F105 HydrophobicContact CB-CD2 3.71Å; L100-F105 HydrophobicContact CB-CE2 3.53Å; L100-F105 HydrophobicContact CD1-CD2 4.22Å; L100-F105 HydrophobicContact CD1-CE2 3.98Å; L100-F105 HydrophobicContact CD1-CZ 4.3Å; L100-F105 HydrophobicContact CG-CE2 4.35Å; T101-F105 WeakPolarHBondContact O-CD2 3.43Å; T101-F105 PolarHBondContact O-N 2.73Å; T101-F105 VanDerWaalsContact O-N 3.16Å; K102-F105 PolarHBondContact O-N 3.43Å; E103-F105 VanDerWaalsContact C-N 3.31Å; E103-F105 PolarHBondContact O-N 3.09Å; F105-R108 PolarHBondContact O-N 2.95Å; F105-C109 PolarHBondContact O-N 3.22Å; F105-G113 VanDerWaalsContact CB-O 3.24Å; F105-G113 WeakPolarHBondContact CB-O 3.33Å; F105-G113 WeakPolarHBondContact O-CA 3.1Å; F105-L116 HydrophobicContact CD1-CB 3.89Å; F105-L116 HydrophobicContact CE1-CB 4.14Å; F105-Y117 AromaticContact CD2-CD2 3.64Å; F105-Y117 HydrophobicContact CD2-CD2 3.64Å; F105-Y117 HydrophobicContact CD2-CG 4.36Å; F105-Y117 AromaticContact CE2-CD2 3.94Å; F105-Y117 HydrophobicContact CE2-CD2 3.94Å; F105-Y117 HydrophobicContact CG-CD2 4.37Å; F105-L120 HydrophobicContact CE2-CD2 3.98Å; F105-L120 HydrophobicContact CZ-CD2 3.6Å
106R92.3Very high90.5Very high115 Ų11554.8 Ų54.843%0.43428%0.282SS..Hα-helixtrans-64.6-39.3175-68.4-180109.2102.220.9111.8K102 E103 C109 P110 D114K102-R106 WeakPolarHBondContact O-CG 3.42Å; K102-R106 PolarHBondContact O-N 3.31Å; K102-R106 VanDerWaalsContact O-N 3.13Å; E103-R106 WeakPolarHBondContact O-CB 3.36Å; E103-R106 PolarHBondContact O-N 3.44Å; E103-R106 VanDerWaalsContact O-N 3.14Å; R106-C109 CarbonylContact O-C 3.55Å; R106-C109 PolarHBondContact O-N 3.19Å; R106-P110 WeakPolarHBondContact O-CA 3.48Å; R106-D114 HydrophobicContact CG-CB 4.29Å; R106-D114 IonicContact CZ-OD2 2.88Å; R106-D114 IonicContact NH1-OD2 2.72Å; R106-D114 PolarHBondContact NH1-OD2 3.23Å; R106-D114 IonicContact NH2-OD2 3.55Å; R106-D114 PolarHBondContact NH2-OD2 2.9Å
107R90.9Very high90.6Very high138 Ų13855.6 Ų55.652%0.52128%0.278SS..Hα-helixtrans-63.3-42.9174.8-76.4-169.2-81-97.9-1.7112.1E103 D104E103-R107 PolarHBondContact O-N 2.83Å; E103-R107 IonicContact OE1-NH1 2.95Å; E103-R107 PolarHBondContact OE1-NH1 2.9Å; E103-R107 IonicContact OE2-CZ 3.98Å; E103-R107 IonicContact OE2-NH1 3.03Å; E103-R107 PolarHBondContact OE2-NH1 2.8Å; E103-R107 IonicContact OE2-NH2 3.39Å; E103-R107 PolarHBondContact OE2-NH2 2.96Å; D104-R107 PolarHBondContact O-N 3.18Å; D104-R107 IonicContact OD1-CZ 2.66Å; D104-R107 IonicContact OD1-NE 3.42Å; D104-R107 IonicContact OD1-NH2 2.77Å; D104-R107 PolarHBondContact OD1-NH2 3.35Å
108R90.1Very high90.4Very high88 Ų8859.4 Ų59.433%0.33230%0.295SS..Hα-helixtrans-77.4-23.3-179.9-69.7170.1-176.6-81.4-3.5113.3H89 F90 M92 D104 F105H89-R108 HydrophobicContact CB-CB 4.31Å; H89-R108 PolarHBondContact CD2-O 3.03Å; H89-R108 WeakPolarHBondContact O-CD 3.42Å; H89-R108 PolarHBondContact O-NH1 3.03Å; F90-R108 HydrophobicContact CE1-CB 4.22Å; F90-R108 HydrophobicContact CE2-CB 4.18Å; F90-R108 HydrophobicContact CZ-CB 3.82Å; M92-R108 VanDerWaalsContact CE-NH1 3.29Å; D104-R108 WeakPolarHBondContact O-CB 3.35Å; D104-R108 VanDerWaalsContact O-CG 3.29Å; D104-R108 WeakPolarHBondContact O-CG 3.33Å; D104-R108 PolarHBondContact O-N 3.18Å; F105-R108 PolarHBondContact O-N 2.95Å
109C90.6Very high90.3Very high4 Ų458.4 Ų58.43%0.02729%0.288CS..  trans-149.184.8178.3-167.50000110.2F90 F105 R106 S111 S112 G113 L116F90-C109 HydrophobicContact CE2-CB 4.04Å; F90-C109 HydrophobicContact CZ-CB 4.21Å; F105-C109 PolarHBondContact O-N 3.22Å; R106-C109 CarbonylContact O-C 3.55Å; R106-C109 PolarHBondContact O-N 3.19Å; C109-S111 PolarHBondContact O-N 2.77Å; C109-S111 VanDerWaalsContact O-N 3.15Å; C109-S112 PolarHBondContact O-N 3.29Å; C109-S112 PolarHBondContact SG-OG 2.94Å; C109-G113 VanDerWaalsContact O-CA 3.22Å; C109-G113 WeakPolarHBondContact O-CA 3.29Å; C109-G113 PolarHBondContact O-N 3.22Å; C109-L116 HydrophobicContact CB-CD1 4.42Å
110P87.8Confident90.2Very high109 Ų10951.6 Ų51.671%0.70825%0.253SS*.THydrogen-bonded Turntrans-60.9-28.6-175.1-2735.7000114.1R106R106-P110 WeakPolarHBondContact O-CA 3.48Å
111S86.8Confident90Very high66 Ų6652.6 Ų52.646%0.46226%0.257SS..THydrogen-bonded Turntrans-81.3-26.3-176.739.30000114.9C109C109-S111 PolarHBondContact O-N 2.77Å; C109-S111 VanDerWaalsContact O-N 3.15Å
112S90.5Very high89.3Confident4 Ų452.5 Ų52.53%0.02826%0.258CS..THydrogen-bonded Turntrans-152.612.6-172.548.10000114.3C109 D114 V115 L116C109-S112 PolarHBondContact O-N 3.29Å; C109-S112 PolarHBondContact SG-OG 2.94Å; S112-D114 VanDerWaalsContact C-N 3.34Å; S112-D114 PolarHBondContact O-N 3.39Å; S112-V115 PolarHBondContact O-N 3.26Å; S112-L116 WeakPolarHBondContact O-CG 3.41Å; S112-L116 PolarHBondContact O-N 3.15Å
113G89.4Confident88.8Confident0 Ų049.6 Ų49.60%025%0.247CC..Hα-helixtrans-64.9-36.5-176.800000113.2F105 C109 L116 Y117F105-G113 VanDerWaalsContact CB-O 3.24Å; F105-G113 WeakPolarHBondContact CB-O 3.33Å; F105-G113 WeakPolarHBondContact O-CA 3.1Å; C109-G113 VanDerWaalsContact O-CA 3.22Å; C109-G113 WeakPolarHBondContact O-CA 3.29Å; C109-G113 PolarHBondContact O-N 3.22Å; G113-L116 PolarHBondContact O-N 2.99Å; G113-Y117 WeakPolarHBondContact O-CB 3.41Å; G113-Y117 PolarHBondContact O-N 3.32Å
114D89.7Confident88Confident44 Ų4447.3 Ų47.324%0.23524%0.235CC..Hα-helixtrans-63.8-43.9172.854.6-14.4000112.4R106 S112 Y117 E118R106-D114 HydrophobicContact CG-CB 4.29Å; R106-D114 IonicContact CZ-OD2 2.88Å; R106-D114 IonicContact NH1-OD2 2.72Å; R106-D114 PolarHBondContact NH1-OD2 3.23Å; R106-D114 IonicContact NH2-OD2 3.55Å; R106-D114 PolarHBondContact NH2-OD2 2.9Å; S112-D114 VanDerWaalsContact C-N 3.34Å; S112-D114 PolarHBondContact O-N 3.39Å; D114-Y117 PolarHBondContact O-N 2.91Å; D114-E118 WeakPolarHBondContact O-CG 3.44Å; D114-E118 PolarHBondContact O-N 3Å
115V88.1Confident86.8Confident55 Ų5549.8 Ų49.833%0.33325%0.245SC..Hα-helixtrans-62-45.3174.7-176.30000111L82 S112 Y117 E118 I119L82-V115 HydrophobicContact CD1-CG1 4.18Å; L82-V115 HydrophobicContact CD2-CB 4.33Å; L82-V115 HydrophobicContact CD2-CG1 4Å; S112-V115 PolarHBondContact O-N 3.26Å; V115-Y117 VanDerWaalsContact C-N 3.32Å; V115-Y117 PolarHBondContact O-N 3.36Å; V115-E118 PolarHBondContact O-N 3Å; V115-I119 HydrophobicContact CG1-CD1 3.79Å; V115-I119 HydrophobicContact CG1-CG1 4.33Å; V115-I119 VanDerWaalsContact O-CG1 3.23Å; V115-I119 WeakPolarHBondContact O-CG1 3.49Å; V115-I119 PolarHBondContact O-N 2.67Å
116L91.2Very high85.1Confident0 Ų052.3 Ų52.30%026%0.257CS..Hα-helixtrans-61.8-39.2176.4-72.6172.9000112.5W72 L73 A76 L82 P85 F90 F105 C109 S112 G113 I119 L120W72-L116 HydrophobicContact CH2-CB 4.17Å; W72-L116 HydrophobicContact CH2-CD2 4.16Å; W72-L116 HydrophobicContact CZ2-CD2 4.47Å; L73-L116 HydrophobicContact CD2-CD1 3.95Å; L73-L116 HydrophobicContact CD2-CD2 4.15Å; A76-L116 HydrophobicContact CB-CD2 3.82Å; L82-L116 HydrophobicContact CD1-CD2 3.75Å; L82-L116 HydrophobicContact CD1-CG 4.05Å; P85-L116 HydrophobicContact CG-CD1 4.42Å; F90-L116 HydrophobicContact CE2-CD1 4.33Å; F90-L116 HydrophobicContact CZ-CD1 4.3Å; F105-L116 HydrophobicContact CD1-CB 3.89Å; F105-L116 HydrophobicContact CE1-CB 4.14Å; C109-L116 HydrophobicContact CB-CD1 4.42Å; S112-L116 WeakPolarHBondContact O-CG 3.41Å; S112-L116 PolarHBondContact O-N 3.15Å; G113-L116 PolarHBondContact O-N 2.99Å; L116-I119 PolarHBondContact O-N 3.29Å; L116-L120 WeakPolarHBondContact O-CB 3.39Å; L116-L120 PolarHBondContact O-N 3.42Å
117Y91.6Very high83.4Confident52 Ų5249.4 Ų49.420%0.20425%0.246CC..Hα-helixtrans-64.4-44.2174.7178.7-93.5000111.3K102 F105 G113 D114 V115 L120 Q121K102-Y117 HydrophobicContact CB-CD1 3.66Å; K102-Y117 HydrophobicContact CB-CD2 4.03Å; K102-Y117 HydrophobicContact CB-CE1 3.72Å; K102-Y117 HydrophobicContact CB-CE2 4.08Å; K102-Y117 HydrophobicContact CB-CG 3.8Å; K102-Y117 HydrophobicContact CD-CD1 3.79Å; K102-Y117 HydrophobicContact CD-CE1 4.08Å; K102-Y117 HydrophobicContact CG-CD1 3.64Å; K102-Y117 HydrophobicContact CG-CE1 4.12Å; K102-Y117 HydrophobicContact CG-CG 3.89Å; K102-Y117 VanDerWaalsContact N-CE2 3.32Å; F105-Y117 AromaticContact CD2-CD2 3.64Å; F105-Y117 HydrophobicContact CD2-CD2 3.64Å; F105-Y117 HydrophobicContact CD2-CG 4.36Å; F105-Y117 AromaticContact CE2-CD2 3.94Å; F105-Y117 HydrophobicContact CE2-CD2 3.94Å; F105-Y117 HydrophobicContact CG-CD2 4.37Å; G113-Y117 WeakPolarHBondContact O-CB 3.41Å; G113-Y117 PolarHBondContact O-N 3.32Å; D114-Y117 PolarHBondContact O-N 2.91Å; V115-Y117 VanDerWaalsContact C-N 3.32Å; V115-Y117 PolarHBondContact O-N 3.36Å; Y117-L120 PolarHBondContact O-N 2.85Å; Y117-Q121 HydrophobicContact CD1-CG 3.93Å; Y117-Q121 HydrophobicContact CE1-CG 3.51Å; Y117-Q121 HydrophobicContact CE2-CG 4.44Å; Y117-Q121 VanDerWaalsContact CE2-NE2 3.26Å; Y117-Q121 VanDerWaalsContact O-CG 3.31Å; Y117-Q121 WeakPolarHBondContact O-CG 3.33Å; Y117-Q121 PolarHBondContact O-N 3.47Å; Y117-Q121 PolarHBondContact O-NE2 3.17Å
118E88.2Confident81.2Confident80 Ų8048.8 Ų48.837%0.37424%0.244SC..Hα-helixtrans-64.7-42175.9-67-47.1140.200111.4K102 D114 V115 L120 Q121 C122K102-E118 WeakPolarHBondContact CE-OE1 3.49Å; K102-E118 IonicContact NZ-OE1 3.18Å; K102-E118 PolarHBondContact NZ-OE1 3.08Å; D114-E118 WeakPolarHBondContact O-CG 3.44Å; D114-E118 PolarHBondContact O-N 3Å; V115-E118 PolarHBondContact O-N 3Å; E118-L120 VanDerWaalsContact C-N 3.31Å; E118-L120 PolarHBondContact O-N 2.77Å; E118-Q121 CarbonylContact O-C 3.46Å; E118-Q121 PolarHBondContact O-N 3.34Å; E118-Q121 VanDerWaalsContact O-N 3.17Å; E118-C122 VanDerWaalsContact O-CB 3.31Å; E118-C122 WeakPolarHBondContact O-CB 3.3Å; E118-C122 PolarHBondContact O-N 3.1Å; E118-C122 PolarHBondContact O-SG 3.41Å
119I88.1Confident78.7Confident8 Ų846.7 Ų46.74%0.04124%0.243CC..Hα-helixtrans-59.5-44.7173.6-67.5162000110W72 W75 A76 Y80 L82 V115 L116 Q121 C122 V123W72-I119 HydrophobicContact CZ2-CB 4.41Å; W72-I119 HydrophobicContact CZ2-CG2 4.08Å; W75-I119 HydrophobicContact CH2-CG2 4.47Å; W75-I119 HydrophobicContact CZ3-CG2 3.88Å; A76-I119 HydrophobicContact CB-CD1 4.22Å; Y80-I119 HydrophobicContact CD1-CD1 4.18Å; Y80-I119 HydrophobicContact CD2-CD1 3.31Å; Y80-I119 HydrophobicContact CD2-CG1 4.1Å; Y80-I119 HydrophobicContact CE1-CD1 4.33Å; Y80-I119 HydrophobicContact CE1-CG1 4.29Å; Y80-I119 HydrophobicContact CE2-CD1 3.49Å; Y80-I119 VanDerWaalsContact CE2-CD1 3.49Å; Y80-I119 HydrophobicContact CE2-CG1 3.76Å; Y80-I119 HydrophobicContact CE2-CG2 4.26Å; Y80-I119 HydrophobicContact CG-CD1 3.68Å; L82-I119 HydrophobicContact CD1-CD1 4.23Å; V115-I119 HydrophobicContact CG1-CD1 3.79Å; V115-I119 HydrophobicContact CG1-CG1 4.33Å; V115-I119 VanDerWaalsContact O-CG1 3.23Å; V115-I119 WeakPolarHBondContact O-CG1 3.49Å; V115-I119 PolarHBondContact O-N 2.67Å; L116-I119 PolarHBondContact O-N 3.29Å; I119-Q121 VanDerWaalsContact C-N 3.35Å; I119-Q121 PolarHBondContact O-N 3.42Å; I119-C122 CarbonylContact O-C 3.57Å; I119-C122 WeakPolarHBondContact O-CB 3.09Å; I119-C122 PolarHBondContact O-N 3.05Å; I119-V123 HydrophobicContact CG2-CG2 4.44Å; I119-V123 VanDerWaalsContact O-CG2 3.26Å; I119-V123 WeakPolarHBondContact O-CG2 3.45Å; I119-V123 PolarHBondContact O-N 3.36Å
120L89Confident76.3Confident0 Ų051.1 Ų51.10%027%0.269CS..Hα-helixtrans-63.9-40176.8-178.163.1000111.9P61 W64 W72 L97 F105 L116 Y117 E118 V123 K124P61-L120 HydrophobicContact CB-CD1 3.62Å; P61-L120 HydrophobicContact CG-CD1 3.96Å; W64-L120 HydrophobicContact CH2-CD1 4.32Å; W64-L120 HydrophobicContact CZ3-CD1 4.09Å; W72-L120 HydrophobicContact CH2-CB 4.15Å; W72-L120 HydrophobicContact CZ2-CB 3.91Å; L97-L120 HydrophobicContact CD2-CD1 4.24Å; L97-L120 HydrophobicContact CD2-CD2 4.17Å; L97-L120 HydrophobicContact CG-CD2 3.97Å; F105-L120 HydrophobicContact CE2-CD2 3.98Å; F105-L120 HydrophobicContact CZ-CD2 3.6Å; L116-L120 WeakPolarHBondContact O-CB 3.39Å; L116-L120 PolarHBondContact O-N 3.42Å; Y117-L120 PolarHBondContact O-N 2.85Å; E118-L120 VanDerWaalsContact C-N 3.31Å; E118-L120 PolarHBondContact O-N 2.77Å; L120-V123 PolarHBondContact O-N 2.86Å; L120-K124 HydrophobicContact CG-CD 4.18Å; L120-K124 WeakPolarHBondContact O-CB 3.45Å; L120-K124 VanDerWaalsContact O-CG 3.26Å; L120-K124 WeakPolarHBondContact O-CG 3.43Å; L120-K124 PolarHBondContact O-N 2.78Å
121Q84.8Confident74Confident44 Ų4448.5 Ų48.521%0.20625%0.251CS..Hα-helixtrans-66.2-41.9174.2-65.4-27.2-67.200111.1Y117 E118 I119 V123 K124 Q125Y117-Q121 HydrophobicContact CD1-CG 3.93Å; Y117-Q121 HydrophobicContact CE1-CG 3.51Å; Y117-Q121 HydrophobicContact CE2-CG 4.44Å; Y117-Q121 VanDerWaalsContact CE2-NE2 3.26Å; Y117-Q121 VanDerWaalsContact O-CG 3.31Å; Y117-Q121 WeakPolarHBondContact O-CG 3.33Å; Y117-Q121 PolarHBondContact O-N 3.47Å; Y117-Q121 PolarHBondContact O-NE2 3.17Å; E118-Q121 CarbonylContact O-C 3.46Å; E118-Q121 PolarHBondContact O-N 3.34Å; E118-Q121 VanDerWaalsContact O-N 3.17Å; I119-Q121 VanDerWaalsContact C-N 3.35Å; I119-Q121 PolarHBondContact O-N 3.42Å; Q121-V123 VanDerWaalsContact C-N 3.35Å; Q121-V123 PolarHBondContact O-N 3.37Å; Q121-K124 CarbonylContact O-C 3.23Å; Q121-K124 WeakPolarHBondContact O-CB 3.34Å; Q121-K124 PolarHBondContact O-N 3.01Å; Q121-K124 VanDerWaalsContact O-N 3.17Å; Q121-Q125 WeakPolarHBondContact O-CA 3.11Å; Q121-Q125 WeakPolarHBondContact O-CB 3.48Å; Q121-Q125 PolarHBondContact O-N 3.38Å
122C77.7Confident71.5Confident65 Ų6550 Ų5044%0.43926%0.26SS..Hα-helixtrans-57.6-46.6171.7-75.80000109.9E118 I119 K124 Q125 Q126E118-C122 VanDerWaalsContact O-CB 3.31Å; E118-C122 WeakPolarHBondContact O-CB 3.3Å; E118-C122 PolarHBondContact O-N 3.1Å; E118-C122 PolarHBondContact O-SG 3.41Å; I119-C122 CarbonylContact O-C 3.57Å; I119-C122 WeakPolarHBondContact O-CB 3.09Å; I119-C122 PolarHBondContact O-N 3.05Å; C122-K124 VanDerWaalsContact C-N 3.32Å; C122-K124 PolarHBondContact O-N 3.43Å; C122-Q125 CarbonylContact O-C 3.45Å; C122-Q125 WeakPolarHBondContact O-CA 3.42Å; C122-Q125 PolarHBondContact O-N 2.78Å; C122-Q126 WeakPolarHBondContact O-CA 3.47Å; C122-Q126 VanDerWaalsContact O-CB 3.24Å; C122-Q126 WeakPolarHBondContact O-CB 3.31Å; C122-Q126 PolarHBondContact O-N 3.4Å
123V80.6Confident68.4Low15 Ų1558.3 Ų58.39%0.09130%0.299CS..Hα-helixtrans-61.8-40.7176172.20000111.8L53 P61 W64 I119 L120 Q121 Q125L53-V123 HydrophobicContact CD1-CB 4.12Å; L53-V123 HydrophobicContact CD1-CG1 3.4Å; L53-V123 VanDerWaalsContact CD1-CG1 3.4Å; L53-V123 HydrophobicContact CD1-CG2 3.54Å; L53-V123 HydrophobicContact CD2-CG2 4.32Å; L53-V123 HydrophobicContact CG-CG2 4.19Å; P61-V123 HydrophobicContact CG-CB 4.35Å; P61-V123 HydrophobicContact CG-CG1 3.47Å; P61-V123 VanDerWaalsContact CG-CG1 3.47Å; W64-V123 HydrophobicContact CH2-CG1 4.33Å; W64-V123 HydrophobicContact CZ2-CG1 4.25Å; I119-V123 HydrophobicContact CG2-CG2 4.44Å; I119-V123 VanDerWaalsContact O-CG2 3.26Å; I119-V123 WeakPolarHBondContact O-CG2 3.45Å; I119-V123 PolarHBondContact O-N 3.36Å; L120-V123 PolarHBondContact O-N 2.86Å; Q121-V123 VanDerWaalsContact C-N 3.35Å; Q121-V123 PolarHBondContact O-N 3.37Å; V123-Q125 VanDerWaalsContact C-N 3.28Å; V123-Q125 PolarHBondContact O-N 3.26Å
124K75.5Confident65.5Low69 Ų6963.5 Ų63.530%0.334%0.336SS..Hα-helixtrans-66.4-30.3173.9-69.216568.9-1690112.2P61 L120 Q121 C122P61-K124 HydrophobicContact CG-CG 4.18Å; L120-K124 HydrophobicContact CG-CD 4.18Å; L120-K124 WeakPolarHBondContact O-CB 3.45Å; L120-K124 VanDerWaalsContact O-CG 3.26Å; L120-K124 WeakPolarHBondContact O-CG 3.43Å; L120-K124 PolarHBondContact O-N 2.78Å; Q121-K124 CarbonylContact O-C 3.23Å; Q121-K124 WeakPolarHBondContact O-CB 3.34Å; Q121-K124 PolarHBondContact O-N 3.01Å; Q121-K124 VanDerWaalsContact O-N 3.17Å; C122-K124 VanDerWaalsContact C-N 3.32Å; C122-K124 PolarHBondContact O-N 3.43Å
125Q66.1Low63.2Low90 Ų9066.8 Ų66.842%0.42136%0.359SS..Hα-helixtrans-95.4-24.9-175.1-170.2663900113.3Q121 C122 V123 R127 R128 S129Q121-Q125 WeakPolarHBondContact O-CA 3.11Å; Q121-Q125 WeakPolarHBondContact O-CB 3.48Å; Q121-Q125 PolarHBondContact O-N 3.38Å; C122-Q125 CarbonylContact O-C 3.45Å; C122-Q125 WeakPolarHBondContact O-CA 3.42Å; C122-Q125 PolarHBondContact O-N 2.78Å; V123-Q125 VanDerWaalsContact C-N 3.28Å; V123-Q125 PolarHBondContact O-N 3.26Å; Q125-R127 PolarHBondContact O-N 3.2Å; Q125-R128 HydrophobicContact CG-CB 4.5Å; Q125-R128 VanDerWaalsContact NE2-CB 3.34Å; Q125-R128 CarbonylContact O-C 3.55Å; Q125-R128 VanDerWaalsContact O-C 3.23Å; Q125-R128 WeakPolarHBondContact O-CA 3.38Å; Q125-R128 WeakPolarHBondContact O-CB 3.19Å; Q125-R128 PolarHBondContact O-N 3.27Å; Q125-S129 WeakPolarHBondContact O-CB 3.16Å; Q125-S129 PolarHBondContact O-N 3.34Å
126Q59Low60.5Low52 Ų5271.8 Ų71.824%0.24338%0.384CS..Hα-helixtrans-63.4-36.3171.1-150.172.61500107.2W51 C122 R128 S129 V130W51-Q126 VanDerWaalsContact CD1-NE2 3.26Å; W51-Q126 HydrophobicContact CD2-CG 4.35Å; W51-Q126 VanDerWaalsContact CD2-NE2 3.33Å; W51-Q126 HydrophobicContact CE3-CG 4.35Å; W51-Q126 HydrophobicContact CG-CG 4.44Å; C122-Q126 WeakPolarHBondContact O-CA 3.47Å; C122-Q126 VanDerWaalsContact O-CB 3.24Å; C122-Q126 WeakPolarHBondContact O-CB 3.31Å; C122-Q126 PolarHBondContact O-N 3.4Å; Q126-R128 PolarHBondContact O-N 3.46Å; Q126-S129 CarbonylContact O-C 3.39Å; Q126-S129 PolarHBondContact O-N 2.98Å; Q126-V130 HydrophobicContact CB-CG2 4.47Å; Q126-V130 HydrophobicContact CG-CG2 3.77Å; Q126-V130 WeakPolarHBondContact O-CB 3.45Å; Q126-V130 WeakPolarHBondContact O-CG2 3.37Å; Q126-V130 PolarHBondContact O-N 3.45Å
127R55.3Low57.8Low55 Ų5578 Ų7821%0.20842%0.422CS..Hα-helixtrans-74-7.4168.5-62.2-171.161.4154.8-3.5114.9R58 I59 Q125 C273 Q347R58-R127 PolarHBondContact O-NH1 3.06Å; I59-R127 VanDerWaalsContact C-NH1 3.33Å; Q125-R127 PolarHBondContact O-N 3.2Å; R127-C273 PolarHBondContact NH2-SG 3.14Å; R127-Q347 PolarHBondContact O-NE2 2.89Å
128R45Very low55.3Low124 Ų12480.7 Ų80.747%0.46845%0.448SS..Hα-helixtrans-98.7-16.7166.3-61.7173.6156.8173.40.2112Q125 Q126 Q347Q125-R128 HydrophobicContact CG-CB 4.5Å; Q125-R128 VanDerWaalsContact NE2-CB 3.34Å; Q125-R128 CarbonylContact O-C 3.55Å; Q125-R128 VanDerWaalsContact O-C 3.23Å; Q125-R128 WeakPolarHBondContact O-CA 3.38Å; Q125-R128 WeakPolarHBondContact O-CB 3.19Å; Q125-R128 PolarHBondContact O-N 3.27Å; Q126-R128 PolarHBondContact O-N 3.46Å; R128-Q347 HydrophobicContact CB-CG 4.2Å; R128-Q347 VanDerWaalsContact CG-CD 3.49Å; R128-Q347 HydrophobicContact CG-CG 4.28Å; R128-Q347 VanDerWaalsContact CG-NE2 3.34Å
129S37Very low52.6Low45 Ų4581.4 Ų81.432%0.31547%0.467SS..Hα-helixtrans-125-15-164.6-167.50000116Q125 Q126 V131 C132Q125-S129 WeakPolarHBondContact O-CB 3.16Å; Q125-S129 PolarHBondContact O-N 3.34Å; Q126-S129 CarbonylContact O-C 3.39Å; Q126-S129 PolarHBondContact O-N 2.98Å; S129-V131 PolarHBondContact O-N 3.05Å; S129-C132 PolarHBondContact O-N 3.24Å
130V40.3Very low50.5Low96 Ų9687.2 Ų87.258%0.58251%0.506SS*.THydrogen-bonded Turntrans-64.87166.6178.90000111.1Q126Q126-V130 HydrophobicContact CB-CG2 4.47Å; Q126-V130 HydrophobicContact CG-CG2 3.77Å; Q126-V130 WeakPolarHBondContact O-CB 3.45Å; Q126-V130 WeakPolarHBondContact O-CG2 3.37Å; Q126-V130 PolarHBondContact O-N 3.45Å
131V40.8Very low48.1Very low55 Ų5591.8 Ų91.833%0.33354%0.543SS..THydrogen-bonded Turntrans-112.4-3.1177.9166.50000111.6S129 L345S129-V131 PolarHBondContact O-N 3.05Å; V131-L345 HydrophobicContact CB-CD1 3.78Å; V131-L345 HydrophobicContact CB-CD2 3.56Å; V131-L345 HydrophobicContact CB-CG 3.99Å; V131-L345 HydrophobicContact CG1-CB 3.94Å; V131-L345 HydrophobicContact CG1-CD1 3.41Å; V131-L345 VanDerWaalsContact CG1-CD1 3.41Å; V131-L345 HydrophobicContact CG1-CD2 3.51Å; V131-L345 HydrophobicContact CG1-CG 3.58Å; V131-L345 HydrophobicContact CG2-CD1 3.09Å; V131-L345 HydrophobicContact CG2-CD2 3.3Å; V131-L345 HydrophobicContact CG2-CG 3.56Å
132C33Very low45.7Very low96 Ų9696.7 Ų96.765%0.64958%0.576SS**SBendtrans-136.965.6176.3-700000110.4S129S129-C132 PolarHBondContact O-N 3.24Å
133Q27.1Very low43.6Very low179 Ų17997.4 Ų97.484%0.83659%0.594SS**  trans-140.8107.1145.4-69.9-162.149.100108.5
134S26.8Very low41.2Very low110 Ų110100.3 Ų100.377%0.76963%0.628SS**  trans-110.4137.5155.9-166.20000106.1N136S134-N136 PolarHBondContact O-N 3.06Å
135P42.2Very low39.1Very low113 Ų113105.2 Ų105.273%0.73465%0.651SS**  trans-64.3122-176.325.3-31.6000109.5V137P135-V137 PolarHBondContact O-N 3.15Å; P135-V137 VanDerWaalsContact O-N 3.08Å
136N30.7Very low37.8Very low160 Ų160107.2 Ų107.286%0.85666%0.664SS**  trans-68.5106.5176.7-162.77.1000108.5S134 S138S134-N136 PolarHBondContact O-N 3.06Å; N136-S138 PolarHBondContact O-N 2.76Å
137V35.5Very low36.4Very low130 Ų130113 Ų11379%0.78869%0.691SS**  trans-71.8119.3172.8177.40000108.3P135P135-V137 PolarHBondContact O-N 3.15Å; P135-V137 VanDerWaalsContact O-N 3.08Å
138S39Very low35.4Very low109 Ų109114.7 Ų114.776%0.76272%0.716SS**  trans-49.9137170.4-39.80000113.1N136N136-S138 PolarHBondContact O-N 2.76Å
139A31.5Very low35.2Very low94 Ų94114.1 Ų114.178%0.77773%0.728SS**  169.9166.7129.200000110.9
140P43.4Very low34.7Very low130 Ų130118.4 Ų118.484%0.84475%0.752SS**  -120.2173.5-85.628.6-8.2000113.4
141A39.4Very low34.2Very low96 Ų96118.8 Ų118.879%0.79376%0.76SS**  trans-70.1145.2-178.300000115.2
142V33.3Very low33.5Very low147 Ų147120.7 Ų120.789%0.89178%0.775SS**  trans-152.4100.9144.9-1780000105.8
143G33.4Very low33.2Very low80 Ų80127.3 Ų127.383%0.82579%0.786SS**  74.1120.493.900000112.1
144G31.1Very low33.5Very low77 Ų77125.7 Ų125.779%0.79478%0.782SS**  cis179.8-173.70.600000109.6
145H32.2Very low33.9Very low171 Ų171126.6 Ų126.679%0.79279%0.785SS**  trans101.595.2156.1-139.952.4000121.4
146I36.9Very low33.3Very low132 Ų132125.7 Ų125.768%0.67778%0.782SS**  trans29.2121.2132.2-38.9-179.8000120.2
147Q30.1Very low33.3Very low175 Ų175127.9 Ų127.982%0.81879%0.786SS**  168.8127.5112.3-90.2-175.316.500112.4
148A34.9Very low32.9Very low89 Ų89127.1 Ų127.174%0.73679%0.787SS**  trans-78.2155.3153.400000109.4
149P39.6Very low32.3Very low112 Ų112127.9 Ų127.973%0.72779%0.786SS**  -141.8140.9110.2184.6000112.8
150V27.8Very low32Very low135 Ų135131.8 Ų131.882%0.81879%0.788SS**  65.7105.489-179.90000115.7
151S29.6Very low31.4Very low105 Ų105131.5 Ų131.573%0.73478%0.776SS**  trans23.5129.3130.3-153.80000120.7
152S25Very low31.3Very low94 Ų94132.9 Ų132.966%0.65778%0.777SS**  150.7131.4107.5570000112.6
153R27.1Very low31Very low235 Ų235132.6 Ų132.689%0.88777%0.766SS**  163.1121.6115.5-87.8175.7-175.8-168.8-0112.5
154I33.5Very low30.7Very low146 Ų146134.1 Ų134.175%0.74976%0.764SS**  trans-78.3154.9158-62.2164.2000107.8
155P36Very low30.5Very low129 Ų129134.2 Ų134.284%0.83876%0.757SS**  -129142.8115.96.614.8000113.7
156S29.3Very low30.2Very low93 Ų93133.4 Ų133.465%0.6576%0.757SS**  trans-77.1150.1178.9-38.90000112.3
157H31.1Very low29.8Very low207 Ų207132.9 Ų132.996%0.95876%0.76SS**  trans-146140.5138.1-90.8-77.5000110
158S26.7Very low29.6Very low113 Ų113130.2 Ų130.279%0.7976%0.76SS**  trans-98.3-174.3-162.7-170.80000112.4
159V25.7Very low29.3Very low125 Ų125129.3 Ų129.376%0.75876%0.76SS**  trans102.9126.6167.1-173.70000113.2
160Q26.7Very low29Very low176 Ų176129.6 Ų129.682%0.82276%0.764SS**  cis-174.1142.9-11.9-175.4166.9-14.100106.3
161E30.3Very low30Very low125 Ų125128.3 Ų128.358%0.58476%0.759SS**  trans-69.6164.2168.9-148.4-16075.300110.6Q163E161-Q163 VanDerWaalsContact OE1-CG 3.24Å; E161-Q163 WeakPolarHBondContact OE1-CG 3.33Å; E161-Q163 PolarHBondContact OE1-N 3.32Å; E161-Q163 PolarHBondContact OE2-NE2 2.92Å
162P37.4Very low30.2Very low124 Ų124128.2 Ų128.281%0.80575%0.753SS**  -147.2153.891.933-14000116.4
163Q26.8Very low30.5Very low141 Ų141132.4 Ų132.466%0.65976%0.76SS**  trans-77.2151.9172.2-82.1171.935.500116.8E161E161-Q163 VanDerWaalsContact OE1-CG 3.24Å; E161-Q163 WeakPolarHBondContact OE1-CG 3.33Å; E161-Q163 PolarHBondContact OE1-N 3.32Å; E161-Q163 PolarHBondContact OE2-NE2 2.92Å
164S26.4Very low30.7Very low112 Ų112128.2 Ų128.278%0.78375%0.754SS**  trans67.3148140.2-56.50000118.8
165A27.2Very low30.6Very low79 Ų79125.6 Ų125.665%0.65376%0.755SS**  cis-169.4172.520.800000111.6
166I27Very low30.3Very low154 Ų154124.2 Ų124.279%0.7975%0.754SS**  trans91.4109.3137-75.1164.7000121.3
167V28.6Very low30.9Very low122 Ų122125.6 Ų125.674%0.73976%0.764SS**  100.5126.1123.8164.10000123.3
168S25.9Very low31Very low119 Ų119120.7 Ų120.783%0.83276%0.759SS**  trans57.9140149.3-73.20000120.7
169G27.2Very low31.6Very low70 Ų70119.8 Ų119.872%0.72276%0.759SS**  cis-173159.89.400000112.2
170S33.1Very low32.2Very low117 Ų117120.5 Ų120.582%0.81876%0.763SS**  trans-70.2165.1155.4-106.90000109.4
171P48.8Very low32.4Very low108 Ų108118.3 Ų118.370%0.70176%0.762SS**  cis-154.1166.647.543.2-21.4000119.3
172V33.8Very low32.6Very low103 Ų103117.5 Ų117.562%0.62478%0.776SS**  trans29.4135142.6-57.50000122.8
173F31.4Very low32.4Very low182 Ų182117.4 Ų117.480%0.79877%0.773SS**  173135.7104.5-92.6-63.5000114.8
174L31.4Very low32.6Very low147 Ų147115.5 Ų115.577%0.7778%0.782SS**  trans58.1121.9136.5-73158.3000125.3
175A31.6Very low32.7Very low91 Ų91114.8 Ų114.875%0.75278%0.777SS**  60.6129.2121.400000121.8
176A30.7Very low32.8Very low100 Ų100118.4 Ų118.483%0.82679%0.785SS**  165.5141.797.700000112.2
177S41.1Very low32.9Very low122 Ų122118 Ų11885%0.85378%0.78SS**  trans-82.3148.6158.8-63.50000110.1
178A32.9Very low33.7Very low105 Ų105117.9 Ų117.987%0.86878%0.782SS**  trans-170.4143.9145.400000112.4
179A38.7Very low34.1Very low94 Ų94118.8 Ų118.878%0.77777%0.773SS**  trans-87.9161.1174.800000112.7
180V38.2Very low34.8Very low140 Ų140120.5 Ų120.585%0.84877%0.771SS**  trans-150109.1155.5-73.30000106.9
181V32.4Very low34.7Very low130 Ų130121.4 Ų121.479%0.78877%0.766SS**  47.8106.986.9-168.20000114.7T183V181-T183 HydrophobicContact CG1-CG2 4.3Å
182A34.1Very low33.8Very low108 Ų108121.4 Ų121.489%0.89377%0.768SS**  trans-140.1132.2145.600000109
183T32.6Very low34.4Very low121 Ų121122.2 Ų122.274%0.74278%0.775SS**  trans-96.6147.9-166.940.30000113.5V181V181-T183 HydrophobicContact CG1-CG2 4.3Å
184A32.2Very low34.3Very low101 Ų101121.5 Ų121.584%0.83578%0.779SS**  trans61.3148.2146.300000117.9
185S28.5Very low34.4Very low98 Ų98123.9 Ų123.969%0.68578%0.778SS**  cis-167.3137.121179.70000108.6
186N28.3Very low34.6Very low154 Ų154127.9 Ų127.982%0.82478%0.781SS**  168.4108.3125-84.5-9.4000112.1
187Q29.9Very low34.8Very low145 Ų145133.3 Ų133.368%0.67878%0.78SS**  trans-83.3168.2154.6-95.9-89.7-25.100108.5E189Q187-E189 VanDerWaalsContact OE1-CG 3.27Å
188P44.7Very low35Very low120 Ų120132 Ų13278%0.77977%0.768SS**  cis-140.515535.433.7-9.6000121.4
189E33.8Very low35.4Very low138 Ų138133.1 Ų133.165%0.64577%0.767SS**  trans-15.3156.3144.2-81.2-79.8127.700117.4Q187Q187-E189 VanDerWaalsContact OE1-CG 3.27Å
190P42Very low35.3Very low106 Ų106134.4 Ų134.469%0.68877%0.765SS**  -158.5156.36837.2-12.9000122.1
191I31.3Very low35.2Very low137 Ų137137.1 Ų137.170%0.70377%0.765SS**  trans76106.8136.5-60.9158.7000120
192S29.3Very low35.2Very low107 Ų107141 Ų14175%0.74877%0.768SS**  22.2161.3127.3-48.90000121.7
193P46.8Very low36.1Very low121 Ų121140.9 Ų140.979%0.78676%0.758SS**  cis-145.8165.224.439.1-16.6000119.8
194L30.6Very low36.1Very low166 Ų166145.2 Ų145.287%0.86976%0.762SS**  trans-31.2142.6146.4-159.694.5000115
195R32.4Very low36Very low198 Ų198145.9 Ų145.975%0.74776%0.761SS**  165.8109.1124.2-175.5164.3-179.3174.12.8113.5
196E36.1Very low36.2Very low174 Ų174145.1 Ų145.181%0.81376%0.76SS**  trans6.8129.1131.3-71.4-90.5141.800118
197R35.3Very low37.2Very low214 Ų214143 Ų14381%0.80876%0.755SS**  trans-172165.8145.8-110.2-168.5179.4137.8-1.4113.4
198P45Very low37.4Very low94 Ų94143.1 Ų143.161%0.6176%0.759SS**  -119.5-176.9-127.533.3-11.2000113.3
199P42.2Very low36.9Very low129 Ų129144.3 Ų144.384%0.83877%0.765SS**  trans-86.3131.6170.233.2-28.5000110.8
200V36.2Very low37Very low121 Ų121146.3 Ų146.373%0.73377%0.774SS**  trans-105.7116.4173.2178.20000109.2Y202V200-Y202 HydrophobicContact CG1-CD2 3.92Å; V200-Y202 HydrophobicContact CG1-CE2 4.4Å
201F35.4Very low36.6Very low197 Ų197147.8 Ų147.886%0.86478%0.776SS**  trans-80144.3159.5-114.6-97.2000109.4
202Y33.7Very low36.9Very low212 Ų212148.5 Ų148.583%0.83178%0.779SS**  trans-166.5161.1153.1-95.6-52.9000110.4V200V200-Y202 HydrophobicContact CG1-CD2 3.92Å; V200-Y202 HydrophobicContact CG1-CE2 4.4Å
203P51.4Low36.9Very low105 Ų105146.6 Ų146.668%0.68278%0.776SS**  -128.5172.4-119.940.5-23.2000116
204Y32.5Very low36.3Very low212 Ų212146.9 Ų146.983%0.83178%0.781SS**  trans19.4133150.2-110.1-105.7000120.1
205S30.5Very low36.5Very low116 Ų116143.3 Ų143.381%0.81178%0.776SS**  -170.4160.485.3-69.30000114.2
206A32.8Very low36.4Very low82 Ų82138.7 Ų138.768%0.67878%0.78SS**  trans-93.4-149-167.600000114.3
207P49.7Very low36.3Very low110 Ų110136.8 Ų136.871%0.71478%0.78SS**  -131.9-170-7735.7-16.3000115.8
208L33.4Very low36.9Very low147 Ų147132 Ų13277%0.7778%0.777SS**  trans93.1130.1151.6-70.3166.9000121.9
209T34.9Very low36.1Very low145 Ų145132.3 Ų132.389%0.8979%0.787SS**  -163.8120.6117.232.50000111.6
210H36.3Very low35.6Very low180 Ų180134.1 Ų134.183%0.83379%0.789SS**  trans-134.6156.7135.266.6-93.9000107.9
211N33.4Very low36.2Very low137 Ų137133.8 Ų133.873%0.73379%0.789SS**  trans-78.2149.8-148.9-121.2-3.6000116.2
212I36.7Very low36.9Very low152 Ų152129.6 Ų129.678%0.77978%0.781SS**  trans64.6119.5139.3-62.2160.9000120
213G30.6Very low36.7Very low66 Ų66126 Ų12668%0.6878%0.777SS**  12694.9127.300000117.7
214S33Very low35.6Very low127 Ų127128 Ų12889%0.88878%0.777SS**  trans15.5149139.7-670000120.5
215A34.4Very low35.5Very low91 Ų91124.1 Ų124.175%0.75277%0.769SS**  cis-175.5167.3-1.200000107.7
216A32.1Very low35.7Very low101 Ų101127.3 Ų127.384%0.83577%0.771SS**  trans85.8113.7155.400000120.5
217V31.9Very low35.4Very low134 Ų134129 Ų12981%0.81278%0.778SS**  trans-69.8170.2148.8-140.90000108
218P48.2Very low34.5Very low115 Ų115131.7 Ų131.775%0.74779%0.786SS**  cis-146.8-178.717.340-17.4000117.4
219A28.4Very low34.9Very low100 Ų100129.8 Ų129.883%0.82678%0.782SS**  trans132.3127.3134.700000116.8
220L32Very low34.7Very low166 Ų166130.2 Ų130.287%0.86978%0.778SS**  trans-62.8-177.8158.5-74.3159.4000111.7
221P49.9Very low34.3Very low114 Ų114131.1 Ų131.174%0.7478%0.78SS**  cis-133-134.1-23.727.9-1.4000110.8
222P49Very low34.2Very low109 Ų109132.5 Ų132.571%0.70878%0.782SS**  -121.2174.6-8034.7-17.1000115.7
223N28.8Very low34.3Very low137 Ų137130.1 Ų130.173%0.73378%0.778SS**  trans87.4137.9140.1-127.12.3000122.3
224Q28.9Very low34.1Very low146 Ų146133.9 Ų133.968%0.68279%0.788SS**  trans96.5124.1141.4-86.3-178.377.100123.6
225I30.9Very low34.3Very low132 Ų132135.1 Ų135.168%0.67778%0.783SS**  trans86101.8142-58.2164000119.5
226Q33.6Very low34Very low183 Ų183139.8 Ų139.886%0.85579%0.789SS**  37.4110.3120.2-149.8167.220.200119.9
227S26.6Very low34.1Very low117 Ų117142.1 Ų142.182%0.81878%0.783SS**  trans-165.6117.9144.7580000112.1
228L31.2Very low34.3Very low166 Ų166141.3 Ų141.387%0.86978%0.78SS**  trans-71.5166.8151.4-91.4131.1000109
229P41.7Very low33.6Very low107 Ų107142.2 Ų142.270%0.69578%0.778SS**  cis-139.5177.34.336.2-14.6000116
230L30.2Very low33.6Very low154 Ų154144.6 Ų144.681%0.80678%0.777SS**  trans73.3113.2147-134.5144.3000119.4
231K28.8Very low34Very low199 Ų199144.5 Ų144.587%0.86578%0.776SS**  -177.5156.3120.7-108.9-178.1177.9-179.50117.1
232E31.9Very low33Very low166 Ų166144 Ų14478%0.77678%0.776SS**  trans-69.9150.9-177.2-177.9165.8-163.400116.3
233S37.6Very low32.5Very low102 Ų102144.2 Ų144.271%0.71378%0.78SS**  trans52.7129.9152.969.70000121.7
234V27.2Very low32.7Very low145 Ų145148.1 Ų148.188%0.87978%0.784SS**  -178.1146.4118.9152.70000109.9
235I37.9Very low33.2Very low154 Ų154150 Ų15079%0.7979%0.793SS**  trans-70.5142.6-169.5-63.6154.4000113.9
236Q26.2Very low33.4Very low189 Ų189153.2 Ų153.288%0.88380%0.797SS**  -174.6131.6124.4-109.5174.9-8.400115.4
237E35.2Very low33.5Very low150 Ų150150.8 Ų150.870%0.70180%0.797SS**  trans-64.9155.8160.1-135.4-177.5107.500110.7
238P36.2Very low34Very low116 Ų116154.7 Ų154.775%0.75379%0.794SS**  -146.2143.377.232.4-11.5000116.8
239L32.8Very low34.1Very low134 Ų134151.3 Ų151.370%0.70278%0.784SS**  trans22.3107.5138.3-58.2167.3000120
240N28.9Very low34Very low150 Ų150152.9 Ų152.980%0.80279%0.794SS**  179153109.2-111-81000114.8
241L39.6Very low34.3Very low164 Ų164152.4 Ų152.486%0.85979%0.792SS**  trans-67.8137-171.7-61.3140.1000113.5
242S30.7Very low34.9Very low104 Ų104152.1 Ų152.173%0.72779%0.793SS**  trans-172.8118.6134.5-1690000111.4
243S38.5Very low35.5Very low113 Ų113151.5 Ų151.579%0.7979%0.788SS**  trans53.184.2136.8-39.30000118.4
244R32.1Very low36.2Very low219 Ų219148.2 Ų148.283%0.82677%0.766SS**  trans-136.194.2147-160165.7177.9170.4-0.7109.5R246R244-R246 PolarHBondContact O-N 3.42Å
245E38.5Very low37.7Very low185 Ų185146 Ų14686%0.86475%0.75SS**  trans-55.4108.5163.3-69.6-171.5133.800108
246R36.8Very low38.9Very low201 Ų201138.7 Ų138.776%0.75871%0.712SS**PPolyproline II helixtrans-89.5135.3164.7-70.8-176.2-172.5177.12.5107.8R244 R248R244-R246 PolarHBondContact O-N 3.42Å; R246-R248 PolarHBondContact O-N 3.42Å; R246-R248 VanDerWaalsContact O-N 3.09Å
247P35.2Very low40.8Very low132 Ų132136.6 Ų136.686%0.85770%0.696SS**PPolyproline II helixtrans-57.5117.9176.3-18.829.9000109S249P247-S249 PolarHBondContact O-N 3.22Å
248R35.9Very low42.6Very low199 Ų199129.8 Ų129.875%0.75166%0.664SS**PPolyproline II helixtrans-68.9124.1178-68.2171.2174.3113.61.1107.7R246R246-R248 PolarHBondContact O-N 3.42Å; R246-R248 VanDerWaalsContact O-N 3.09Å
249S33.5Very low43.5Very low95 Ų95125.2 Ų125.266%0.66464%0.635SS**PPolyproline II helixtrans-53.4145.8168.943.10000111.1P247 L251P247-S249 PolarHBondContact O-N 3.22Å; S249-L251 VanDerWaalsContact C-N 3.25Å; S249-L251 PolarHBondContact O-N 2.81Å
250P39.7Very low44.9Very low139 Ų139126 Ų12690%0.90364%0.635SS**  trans-78.676.6175.210.34.5000109.8
251L37.1Very low46.8Very low145 Ų145119.1 Ų119.176%0.75960%0.598SS**  trans-105113.5162.4-155.475.1000106.6S249 K253S249-L251 VanDerWaalsContact C-N 3.25Å; S249-L251 PolarHBondContact O-N 2.81Å; L251-K253 PolarHBondContact O-N 3.45Å
252H41.9Very low48.6Very low192 Ų192120.8 Ų120.889%0.88959%0.593SS**  trans-45.1102.1-179.1-91.4103.2000111A254H252-A254 PolarHBondContact O-N 3.26Å
253K44.3Very low51.5Low154 Ų154118.7 Ų118.767%0.6757%0.574SS**  trans-73.1119.2179.8-72.1-179.2178.4-175.10108.5L251 N255L251-K253 PolarHBondContact O-N 3.45Å; K253-N255 PolarHBondContact O-N 2.9Å
254A51.7Low54.1Low32 Ų32113.4 Ų113.426%0.26454%0.537SS..  trans-50.9103.217100000109.1H252 G256 Y277H252-A254 PolarHBondContact O-N 3.26Å; A254-G256 PolarHBondContact O-N 3.41Å; A254-G256 VanDerWaalsContact O-N 3.15Å; A254-Y277 HydrophobicContact CB-CD1 4.2Å; A254-Y277 HydrophobicContact CB-CE1 3.36Å; A254-Y277 HydrophobicContact CB-CE2 4.37Å; A254-Y277 VanDerWaalsContact CB-CZ 3.48Å; A254-Y277 WeakPolarHBondContact CB-OH 3.41Å
255N59.5Low57Low99 Ų99103.2 Ų103.253%0.52950%0.498SS..  trans-74-2.8-170.164.817.5000112.7K253 R257 N305K253-N255 PolarHBondContact O-N 2.9Å; N255-R257 PolarHBondContact O-N 2.78Å; N255-R257 PolarHBondContact OD1-N 3.28Å; N255-N305 PolarHBondContact O-ND2 3.2Å
256G62.3Low59.5Low0 Ų095.5 Ų95.50%046%0.463CS..  trans63.84.4179.800000114.7A254 I258 Y267 H306A254-G256 PolarHBondContact O-N 3.41Å; A254-G256 VanDerWaalsContact O-N 3.15Å; G256-I258 PolarHBondContact O-N 3.46Å; G256-Y267 VanDerWaalsContact O-CE2 3.25Å; G256-Y267 WeakPolarHBondContact O-CE2 3.41Å; G256-Y267 PolarHBondContact O-OH 3.24Å; G256-H306 WeakPolarHBondContact O-CB 3.1Å
257R66.1Low62.1Low145 Ų14586 Ų8655%0.54743%0.427SS..  trans-88.3102.5178.1-82.1-166.7174.5-175.90.5109.7N255 P259N255-R257 PolarHBondContact O-N 2.78Å; N255-R257 PolarHBondContact OD1-N 3.28Å; R257-P259 WeakPolarHBondContact O-CD 3.25Å
258I72.5Confident64.9Low7 Ų779.8 Ų79.84%0.03639%0.387CS..  trans-106.2101.4-178.2-58.4-177.7000109.1L63 G256 C261 Y267 Q270 L271 H306L63-I258 HydrophobicContact CD2-CG2 4.35Å; G256-I258 PolarHBondContact O-N 3.46Å; I258-C261 HydrophobicContact CB-CB 4.44Å; I258-C261 HydrophobicContact CG2-CB 4.21Å; I258-C261 WeakPolarHBondContact CG2-SG 3.37Å; I258-C261 PolarHBondContact O-N 3.48Å; I258-Y267 HydrophobicContact CB-CD2 4.04Å; I258-Y267 HydrophobicContact CB-CE2 3.99Å; I258-Y267 HydrophobicContact CD1-CD2 3.73Å; I258-Y267 HydrophobicContact CD1-CE2 3.52Å; I258-Y267 HydrophobicContact CG1-CD2 4.09Å; I258-Y267 HydrophobicContact CG1-CE2 3.68Å; I258-Q270 HydrophobicContact CD1-CB 3.81Å; I258-Q270 HydrophobicContact CG2-CB 4.1Å; I258-Q270 VanDerWaalsContact CG2-CD 3.47Å; I258-Q270 HydrophobicContact CG2-CG 4.26Å; I258-L271 HydrophobicContact CD1-CD2 3.75Å; I258-L271 HydrophobicContact CD1-CG 4.15Å; I258-H306 PolarHBondContact N-ND1 3.47Å; I258-H306 VanDerWaalsContact N-ND1 3.17Å; I258-H306 PolarHBondContact O-CE1 3.35Å
259P55.2Low67.6Low21 Ų2172.1 Ų72.114%0.13636%0.358CS..THydrogen-bonded Turntrans-55.8148-179.929.4-40.7000112.3L63 R257 C261L63-P259 HydrophobicContact CD2-CG 4Å; R257-P259 WeakPolarHBondContact O-CD 3.25Å; P259-C261 PolarHBondContact O-N 2.6Å; P259-C261 VanDerWaalsContact O-N 3.11Å
260E62.3Low70.2Confident150 Ų15068.5 Ų68.570%0.70133%0.331SS*.THydrogen-bonded Turntrans69.1-9.6178.6-52.1-52.7127.100116.9R262E260-R262 PolarHBondContact O-N 3.02Å; E260-R262 VanDerWaalsContact O-N 3.07Å
261C70.1Confident72.7Confident5 Ų562 Ų623%0.03429%0.288CS..  trans-75.895.4170.3-72.70000111.7I258 P259 D266 Y267 Q270 H306I258-C261 HydrophobicContact CB-CB 4.44Å; I258-C261 HydrophobicContact CG2-CB 4.21Å; I258-C261 WeakPolarHBondContact CG2-SG 3.37Å; I258-C261 PolarHBondContact O-N 3.48Å; P259-C261 PolarHBondContact O-N 2.6Å; P259-C261 VanDerWaalsContact O-N 3.11Å; C261-D266 WeakPolarHBondContact CA-OD2 3.23Å; C261-D266 PolarHBondContact SG-OD2 3.36Å; C261-Y267 HydrophobicContact CB-CD2 4.35Å; C261-Q270 VanDerWaalsContact SG-CG 3.58Å; C261-Q270 PolarHBondContact SG-NE2 2.85Å; C261-H306 PolarHBondContact O-NE2 3.27Å
262R77.1Confident75.3Confident199 Ų19955.4 Ų55.475%0.75125%0.254SS*.  trans-78.7-34.5178.9-63-174-178.6-166.20.1113.1E260 K307E260-R262 PolarHBondContact O-N 3.02Å; E260-R262 VanDerWaalsContact O-N 3.07Å; R262-K307 PolarHBondContact O-NZ 3.27Å
263L91.2Very high77.5Confident61 Ų6147.8 Ų47.832%0.31922%0.222SC..SBendtrans-113.2155-171.5-62.9174.3000112W265 D266 Y267L263-W265 PolarHBondContact O-N 3.48Å; L263-D266 PolarHBondContact O-N 3.17Å; L263-Y267 PolarHBondContact O-N 3.29Å; L263-Y267 VanDerWaalsContact O-N 3.14Å
264L93.4Very high79.3Confident2 Ų241.2 Ų41.21%0.0119%0.194CC..Hα-helixtrans-65.3-39.3-176.6175.767.8000112.2D266 Y267 V268 W303 M317 A320 L321 Y324L264-D266 VanDerWaalsContact C-N 3.27Å; L264-D266 PolarHBondContact O-N 2.94Å; L264-Y267 WeakPolarHBondContact O-CB 3.26Å; L264-Y267 PolarHBondContact O-N 2.78Å; L264-V268 HydrophobicContact CD1-CG2 4.05Å; L264-V268 HydrophobicContact CG-CG2 4.22Å; L264-V268 WeakPolarHBondContact O-CB 3.49Å; L264-V268 WeakPolarHBondContact O-CG2 3.24Å; L264-V268 PolarHBondContact O-N 2.75Å; L264-W303 HydrophobicContact CB-CH2 4.18Å; L264-W303 HydrophobicContact CB-CZ2 4Å; L264-W303 HydrophobicContact CD1-CB 4.48Å; L264-W303 HydrophobicContact CD1-CD2 3.7Å; L264-W303 HydrophobicContact CD1-CE3 4.04Å; L264-W303 HydrophobicContact CD1-CG 3.89Å; L264-W303 HydrophobicContact CD1-CZ2 4.41Å; L264-M317 HydrophobicContact CD1-CG 3.78Å; L264-M317 HydrophobicContact CD1-SD 3.89Å; L264-M317 HydrophobicContact CD2-CG 3.59Å; L264-M317 WeakPolarHBondContact CD2-O 3.32Å; L264-M317 HydrophobicContact CG-CG 4.36Å; L264-A320 HydrophobicContact CB-CB 4.45Å; L264-A320 HydrophobicContact CD2-CB 3.69Å; L264-L321 HydrophobicContact CD2-CD2 3.8Å; L264-L321 HydrophobicContact CD2-CG 3.92Å; L264-L321 HydrophobicContact CG-CD2 4.39Å; L264-Y324 HydrophobicContact CB-CE2 3.99Å; L264-Y324 HydrophobicContact CD2-CE2 4.38Å; L264-Y324 HydrophobicContact CG-CE2 4.39Å; L264-Y324 PolarHBondContact N-OH 2.7Å
265W92.7Very high80.9Confident5 Ų544.9 Ų44.92%0.01921%0.209CC..Hα-helixtrans-61-39.4-179.668.4-99.7000111.8L263 Y269 Y324 I329 I330 F342 P346 I349 R350L263-W265 PolarHBondContact O-N 3.48Å; W265-Y269 PolarHBondContact O-N 3.06Å; W265-Y324 HydrophobicContact CB-CD2 4.01Å; W265-Y324 HydrophobicContact CB-CE2 3.65Å; W265-Y324 AromaticContact CD1-CE1 3.8Å; W265-Y324 AromaticContact CD1-CZ 3.64Å; W265-Y324 HydrophobicContact CG-CE2 4.39Å; W265-Y324 PolarHBondContact N-OH 3.39Å; W265-I329 HydrophobicContact CB-CG2 4.05Å; W265-I329 HydrophobicContact CG-CG2 4.13Å; W265-I330 HydrophobicContact CB-CD1 4.27Å; W265-F342 HydrophobicContact CB-CE1 4.3Å; W265-P346 HydrophobicContact CH2-CB 4.36Å; W265-P346 HydrophobicContact CZ3-CB 3.79Å; W265-P346 HydrophobicContact CZ3-CG 4.1Å; W265-I349 HydrophobicContact CD2-CD1 4.24Å; W265-I349 HydrophobicContact CD2-CG2 4Å; W265-I349 VanDerWaalsContact CE2-CG2 3.44Å; W265-I349 HydrophobicContact CE3-CD1 3.76Å; W265-I349 HydrophobicContact CE3-CG2 4.4Å; W265-I349 HydrophobicContact CH2-CB 3.92Å; W265-I349 HydrophobicContact CH2-CD1 4.38Å; W265-I349 HydrophobicContact CH2-CG2 3.87Å; W265-I349 HydrophobicContact CZ2-CB 3.95Å; W265-I349 HydrophobicContact CZ2-CG2 3.37Å; W265-I349 HydrophobicContact CZ3-CB 4.27Å; W265-I349 HydrophobicContact CZ3-CD1 3.86Å; W265-I349 HydrophobicContact CZ3-CG2 4.34Å; W265-R350 HydrophobicContact CH2-CG 4.08Å; W265-R350 HydrophobicContact CZ2-CG 4.44Å
266D90.4Very high82.2Confident23 Ų2346.1 Ų46.112%0.12321%0.206CC..Hα-helixtrans-71.3-42.9179.6-174.738.7000110.2C261 L263 L264 V268 Y269 Q270C261-D266 WeakPolarHBondContact CA-OD2 3.23Å; C261-D266 PolarHBondContact SG-OD2 3.36Å; L263-D266 PolarHBondContact O-N 3.17Å; L264-D266 VanDerWaalsContact C-N 3.27Å; L264-D266 PolarHBondContact O-N 2.94Å; D266-V268 PolarHBondContact O-N 3.44Å; D266-Y269 PolarHBondContact O-N 2.95Å; D266-Q270 WeakPolarHBondContact O-CG 3.48Å; D266-Q270 PolarHBondContact O-N 2.87Å
267Y92.7Very high83.5Confident0 Ų046.6 Ų46.60%021%0.208CC..Hα-helixtrans-57.9-47.4173.7-175.2-104.2000112.8G256 I258 C261 L263 L264 Y269 Q270 L271 L302 W303 H306G256-Y267 VanDerWaalsContact O-CE2 3.25Å; G256-Y267 WeakPolarHBondContact O-CE2 3.41Å; G256-Y267 PolarHBondContact O-OH 3.24Å; I258-Y267 HydrophobicContact CB-CD2 4.04Å; I258-Y267 HydrophobicContact CB-CE2 3.99Å; I258-Y267 HydrophobicContact CD1-CD2 3.73Å; I258-Y267 HydrophobicContact CD1-CE2 3.52Å; I258-Y267 HydrophobicContact CG1-CD2 4.09Å; I258-Y267 HydrophobicContact CG1-CE2 3.68Å; C261-Y267 HydrophobicContact CB-CD2 4.35Å; L263-Y267 PolarHBondContact O-N 3.29Å; L263-Y267 VanDerWaalsContact O-N 3.14Å; L264-Y267 WeakPolarHBondContact O-CB 3.26Å; L264-Y267 PolarHBondContact O-N 2.78Å; Y267-Y269 VanDerWaalsContact C-N 3.34Å; Y267-Y269 PolarHBondContact O-N 3.3Å; Y267-Q270 PolarHBondContact O-N 2.93Å; Y267-L271 HydrophobicContact CD1-CD1 3.91Å; Y267-L271 HydrophobicContact CD1-CG 4.36Å; Y267-L271 HydrophobicContact CE1-CD1 3.43Å; Y267-L271 VanDerWaalsContact CE1-CD1 3.43Å; Y267-L271 HydrophobicContact CE1-CG 4.05Å; Y267-L271 WeakPolarHBondContact O-CG 3.42Å; Y267-L271 PolarHBondContact O-N 3.34Å; Y267-L302 VanDerWaalsContact OH-C 3.23Å; Y267-L302 WeakPolarHBondContact OH-CB 3.42Å; Y267-L302 PolarHBondContact OH-O 3.47Å; Y267-L302 VanDerWaalsContact OH-O 3.14Å; Y267-W303 HydrophobicContact CD1-CB 4.38Å; Y267-W303 HydrophobicContact CD1-CD2 4.35Å; Y267-W303 AromaticContact CD1-CE3 3.47Å; Y267-W303 HydrophobicContact CD1-CE3 3.47Å; Y267-W303 VanDerWaalsContact CD1-CE3 3.47Å; Y267-W303 HydrophobicContact CD1-CZ3 4.11Å; Y267-W303 HydrophobicContact CD2-CE3 4.09Å; Y267-W303 HydrophobicContact CD2-CZ3 4.2Å; Y267-W303 HydrophobicContact CE1-CB 4.02Å; Y267-W303 AromaticContact CE1-CE3 3.96Å; Y267-W303 HydrophobicContact CE1-CE3 3.96Å; Y267-W303 AromaticContact CG-CE3 3.54Å; Y267-W303 HydrophobicContact CG-CE3 3.54Å; Y267-W303 AromaticContact CG-CZ3 3.72Å; Y267-W303 HydrophobicContact CG-CZ3 3.72Å; Y267-H306 HydrophobicContact CD2-CB 4.42Å; Y267-H306 AromaticContact CD2-CD2 3.79Å; Y267-H306 AromaticContact CD2-CG 3.91Å; Y267-H306 HydrophobicContact CE2-CB 3.76Å; Y267-H306 AromaticContact CE2-CD2 3.96Å; Y267-H306 AromaticContact CE2-CG 3.6Å
268V94.2Very high84.8Confident2 Ų244.1 Ų44.11%0.01220%0.203CC..Hα-helixtrans-57.8-46.9175.9160.40000110.9L264 D266 Q270 L271 L272 I281 F291 F342L264-V268 HydrophobicContact CD1-CG2 4.05Å; L264-V268 HydrophobicContact CG-CG2 4.22Å; L264-V268 WeakPolarHBondContact O-CB 3.49Å; L264-V268 WeakPolarHBondContact O-CG2 3.24Å; L264-V268 PolarHBondContact O-N 2.75Å; D266-V268 PolarHBondContact O-N 3.44Å; V268-Q270 VanDerWaalsContact C-N 3.33Å; V268-Q270 PolarHBondContact O-N 2.74Å; V268-L271 PolarHBondContact O-N 3.32Å; V268-L272 HydrophobicContact CG1-CD1 3.91Å; V268-L272 WeakPolarHBondContact O-CB 3.08Å; V268-L272 WeakPolarHBondContact O-CG 3.31Å; V268-L272 PolarHBondContact O-N 3.27Å; V268-I281 HydrophobicContact CB-CD1 4.42Å; V268-I281 HydrophobicContact CG1-CD1 3.62Å; V268-I281 HydrophobicContact CG2-CD1 4.38Å; V268-F291 HydrophobicContact CG1-CD2 4.42Å; V268-F291 HydrophobicContact CG1-CE2 3.87Å; V268-F291 HydrophobicContact CG1-CZ 3.94Å; V268-F342 HydrophobicContact CB-CZ 4.49Å; V268-F342 HydrophobicContact CG1-CE2 4Å; V268-F342 HydrophobicContact CG1-CZ 3.87Å
269Y91.4Very high85.7Confident39 Ų3949.9 Ų49.915%0.15323%0.234CC..Hα-helixtrans-62.5-40177.4-175.5-96.3000112W265 D266 Y267 L272 C273 W283 F342 P346W265-Y269 PolarHBondContact O-N 3.06Å; D266-Y269 PolarHBondContact O-N 2.95Å; Y267-Y269 VanDerWaalsContact C-N 3.34Å; Y267-Y269 PolarHBondContact O-N 3.3Å; Y269-L272 WeakPolarHBondContact O-CB 3.39Å; Y269-L272 PolarHBondContact O-N 2.88Å; Y269-C273 PolarHBondContact O-N 3.17Å; Y269-C273 PolarHBondContact O-SG 2.74Å; Y269-W283 HydrophobicContact CD2-CH2 4.22Å; Y269-W283 HydrophobicContact CD2-CZ2 4.1Å; Y269-W283 HydrophobicContact CE2-CH2 4.24Å; Y269-W283 AromaticContact CE2-CZ2 3.99Å; Y269-W283 HydrophobicContact CE2-CZ2 3.99Å; Y269-F342 HydrophobicContact CD2-CE2 4.47Å; Y269-P346 HydrophobicContact CD1-CG 3.76Å; Y269-P346 HydrophobicContact CD2-CG 3.82Å; Y269-P346 HydrophobicContact CE1-CG 3.84Å; Y269-P346 HydrophobicContact CE2-CG 3.92Å; Y269-P346 HydrophobicContact CG-CG 3.75Å
270Q89.5Confident87.6Confident19 Ų1952.6 Ų52.69%0.08924%0.242CC..Hα-helixtrans-66.2-39.2177.4-67.9-144.722.800113I258 C261 D266 Y267 V268 L272 C273I258-Q270 HydrophobicContact CD1-CB 3.81Å; I258-Q270 HydrophobicContact CG2-CB 4.1Å; I258-Q270 VanDerWaalsContact CG2-CD 3.47Å; I258-Q270 HydrophobicContact CG2-CG 4.26Å; C261-Q270 VanDerWaalsContact SG-CG 3.58Å; C261-Q270 PolarHBondContact SG-NE2 2.85Å; D266-Q270 WeakPolarHBondContact O-CG 3.48Å; D266-Q270 PolarHBondContact O-N 2.87Å; Y267-Q270 PolarHBondContact O-N 2.93Å; V268-Q270 VanDerWaalsContact C-N 3.33Å; V268-Q270 PolarHBondContact O-N 2.74Å; Q270-L272 VanDerWaalsContact C-N 3.3Å; Q270-L272 PolarHBondContact O-N 3.35Å; Q270-C273 PolarHBondContact O-N 2.96Å
271L91.3Very high89.2Confident1 Ų145.5 Ų45.51%0.00521%0.208CC..Hα-helixtrans-62.6-39.2172.9-67.2-179.7000111.8I258 Y267 V268 C273 D274 Y277 I281 L299I258-L271 HydrophobicContact CD1-CD2 3.75Å; I258-L271 HydrophobicContact CD1-CG 4.15Å; Y267-L271 HydrophobicContact CD1-CD1 3.91Å; Y267-L271 HydrophobicContact CD1-CG 4.36Å; Y267-L271 HydrophobicContact CE1-CD1 3.43Å; Y267-L271 VanDerWaalsContact CE1-CD1 3.43Å; Y267-L271 HydrophobicContact CE1-CG 4.05Å; Y267-L271 WeakPolarHBondContact O-CG 3.42Å; Y267-L271 PolarHBondContact O-N 3.34Å; V268-L271 PolarHBondContact O-N 3.32Å; L271-C273 PolarHBondContact O-N 3.28Å; L271-D274 PolarHBondContact O-N 3.49Å; L271-D274 VanDerWaalsContact O-N 3.15Å; L271-D274 VanDerWaalsContact O-O 3.09Å; L271-Y277 HydrophobicContact CD2-CD1 3.71Å; L271-Y277 HydrophobicContact CD2-CD2 3.6Å; L271-Y277 HydrophobicContact CD2-CE1 3.77Å; L271-Y277 HydrophobicContact CD2-CE2 3.67Å; L271-Y277 HydrophobicContact CD2-CG 3.59Å; L271-I281 HydrophobicContact CB-CG2 3.65Å; L271-I281 HydrophobicContact CD1-CG2 4.23Å; L271-L299 HydrophobicContact CD1-CD1 3.39Å
272L91.3Very high90.4Very high8 Ų850.6 Ų50.64%0.04223%0.227CC..Hα-helixtrans-66.9-18.1177.1-78.2169.1000114.2V268 Y269 Q270 I281 W283 F291 F342V268-L272 HydrophobicContact CG1-CD1 3.91Å; V268-L272 WeakPolarHBondContact O-CB 3.08Å; V268-L272 WeakPolarHBondContact O-CG 3.31Å; V268-L272 PolarHBondContact O-N 3.27Å; Y269-L272 WeakPolarHBondContact O-CB 3.39Å; Y269-L272 PolarHBondContact O-N 2.88Å; Q270-L272 VanDerWaalsContact C-N 3.3Å; Q270-L272 PolarHBondContact O-N 3.35Å; L272-I281 HydrophobicContact CD1-CD1 4.31Å; L272-I281 HydrophobicContact CD2-CD1 4.33Å; L272-I281 HydrophobicContact CD2-CG1 3.88Å; L272-I281 HydrophobicContact CD2-CG2 4.46Å; L272-I281 HydrophobicContact CG-CD1 4.1Å; L272-I281 HydrophobicContact CG-CG1 4.18Å; L272-I281 HydrophobicContact CG-CG2 4.47Å; L272-W283 HydrophobicContact CB-CZ2 3.74Å; L272-W283 HydrophobicContact CD1-CD2 4.5Å; L272-W283 HydrophobicContact CD1-CH2 3.86Å; L272-W283 HydrophobicContact CD1-CZ2 3.8Å; L272-W283 HydrophobicContact CD1-CZ3 4.23Å; L272-W283 HydrophobicContact CD2-CD2 4.19Å; L272-W283 HydrophobicContact CD2-CG 4.29Å; L272-W283 HydrophobicContact CG-CZ2 4.28Å; L272-W283 PolarHBondContact O-NE1 3.01Å; L272-F291 HydrophobicContact CD1-CB 3.66Å; L272-F291 HydrophobicContact CD1-CD1 4.09Å; L272-F291 HydrophobicContact CD1-CD2 4.09Å; L272-F291 HydrophobicContact CD1-CG 3.7Å; L272-F291 HydrophobicContact CD2-CB 3.8Å; L272-F291 HydrophobicContact CG-CB 4.39Å; L272-F342 HydrophobicContact CD1-CE2 3.96Å
273C88.3Confident91.2Very high32 Ų3244.1 Ų44.122%0.21620%0.203CC..THydrogen-bonded Turntrans-88.9-2.9174.9-65.20000113.6R127 Y269 Q270 L271R127-C273 PolarHBondContact NH2-SG 3.14Å; Y269-C273 PolarHBondContact O-N 3.17Å; Y269-C273 PolarHBondContact O-SG 2.74Å; Q270-C273 PolarHBondContact O-N 2.96Å; L271-C273 PolarHBondContact O-N 3.28Å
274D82.9Confident91.4Very high15 Ų1545.2 Ų45.28%0.0821%0.206CC..  trans-125.4111.4-176.3-178.7-8000110I59 L271 R276 Y277I59-D274 HydrophobicContact CG2-CB 4.04Å; L271-D274 PolarHBondContact O-N 3.49Å; L271-D274 VanDerWaalsContact O-N 3.15Å; L271-D274 VanDerWaalsContact O-O 3.09Å; D274-R276 PolarHBondContact O-N 3.48Å; D274-R276 VanDerWaalsContact OD1-CB 3.28Å; D274-R276 WeakPolarHBondContact OD1-CB 3.16Å; D274-R276 WeakPolarHBondContact OD1-CG 3.41Å; D274-R276 IonicContact OD1-CZ 2.84Å; D274-R276 PolarHBondContact OD1-N 2.89Å; D274-R276 VanDerWaalsContact OD1-N 3.09Å; D274-R276 IonicContact OD1-NE 3.37Å; D274-R276 PolarHBondContact OD1-NE 3.15Å; D274-R276 IonicContact OD2-CZ 3.73Å; D274-R276 IonicContact OD2-NE 3.5Å; D274-R276 PolarHBondContact OD2-NE 3.08Å; D274-R276 IonicContact OD2-NH2 3.74Å; D274-R276 PolarHBondContact OD2-NH2 3.15Å; D274-Y277 HydrophobicContact CB-CD2 3.86Å; D274-Y277 HydrophobicContact CB-CE2 4.19Å; D274-Y277 PolarHBondContact O-N 2.78Å; D274-Y277 WeakPolarHBondContact OD2-CE2 3.49Å
275D85.6Confident91.3Very high109 Ų10947.7 Ų47.758%0.58322%0.219SC*.G310 helixtrans-61.3-19.8-174.1-67.8-29.4000113.3Y277 Q278D275-Y277 PolarHBondContact O-N 3.41Å; D275-Y277 VanDerWaalsContact O-N 3.09Å; D275-Q278 HydrophobicContact CB-CG 4.37Å; D275-Q278 VanDerWaalsContact CG-NE2 3.29Å; D275-Q278 WeakPolarHBondContact O-CB 3.21Å; D275-Q278 VanDerWaalsContact O-CG 3.31Å; D275-Q278 WeakPolarHBondContact O-CG 3.17Å; D275-Q278 PolarHBondContact O-N 2.82Å; D275-Q278 VanDerWaalsContact O-N 3.11Å; D275-Q278 PolarHBondContact OD1-NE2 2.99Å
276R85.8Confident91Very high126 Ų12651 Ų5148%0.47524%0.242SC..G310 helixtrans-61.5-18.5175.5-61.4-179.3-62.8179.5-0.3113.2D274D274-R276 PolarHBondContact O-N 3.48Å; D274-R276 VanDerWaalsContact OD1-CB 3.28Å; D274-R276 WeakPolarHBondContact OD1-CB 3.16Å; D274-R276 WeakPolarHBondContact OD1-CG 3.41Å; D274-R276 IonicContact OD1-CZ 2.84Å; D274-R276 PolarHBondContact OD1-N 2.89Å; D274-R276 VanDerWaalsContact OD1-N 3.09Å; D274-R276 IonicContact OD1-NE 3.37Å; D274-R276 PolarHBondContact OD1-NE 3.15Å; D274-R276 IonicContact OD2-CZ 3.73Å; D274-R276 IonicContact OD2-NE 3.5Å; D274-R276 PolarHBondContact OD2-NE 3.08Å; D274-R276 IonicContact OD2-NH2 3.74Å; D274-R276 PolarHBondContact OD2-NH2 3.15Å
277Y90.6Very high90.7Very high10 Ų1057 Ų574%0.03927%0.273CS..G310 helixtrans-104.58.4179.8-59-79.9000113.8A254 L271 D274 D275 D279 Y280 I281 L302A254-Y277 HydrophobicContact CB-CD1 4.2Å; A254-Y277 HydrophobicContact CB-CE1 3.36Å; A254-Y277 HydrophobicContact CB-CE2 4.37Å; A254-Y277 VanDerWaalsContact CB-CZ 3.48Å; A254-Y277 WeakPolarHBondContact CB-OH 3.41Å; L271-Y277 HydrophobicContact CD2-CD1 3.71Å; L271-Y277 HydrophobicContact CD2-CD2 3.6Å; L271-Y277 HydrophobicContact CD2-CE1 3.77Å; L271-Y277 HydrophobicContact CD2-CE2 3.67Å; L271-Y277 HydrophobicContact CD2-CG 3.59Å; D274-Y277 HydrophobicContact CB-CD2 3.86Å; D274-Y277 HydrophobicContact CB-CE2 4.19Å; D274-Y277 PolarHBondContact O-N 2.78Å; D274-Y277 WeakPolarHBondContact OD2-CE2 3.49Å; D275-Y277 PolarHBondContact O-N 3.41Å; D275-Y277 VanDerWaalsContact O-N 3.09Å; Y277-D279 PolarHBondContact O-N 2.81Å; Y277-D279 VanDerWaalsContact O-N 3.13Å; Y277-Y280 HydrophobicContact CD1-CD2 4.17Å; Y277-Y280 WeakPolarHBondContact O-CA 3.47Å; Y277-Y280 WeakPolarHBondContact O-CB 3.25Å; Y277-Y280 PolarHBondContact O-N 3.02Å; Y277-I281 PolarHBondContact O-N 3.16Å; Y277-I281 VanDerWaalsContact O-O 3.11Å; Y277-L302 HydrophobicContact CD1-CD1 3.82Å; Y277-L302 HydrophobicContact CE1-CD1 4.11Å; Y277-L302 HydrophobicContact CE1-CD2 4.23Å
278Q91.4Very high90.6Very high93 Ų9359.6 Ų59.644%0.43529%0.29SS..THydrogen-bonded Turntrans-55.4-31.8-179-79-177.37.400114D275 Y280 I281 R282D275-Q278 HydrophobicContact CB-CG 4.37Å; D275-Q278 VanDerWaalsContact CG-NE2 3.29Å; D275-Q278 WeakPolarHBondContact O-CB 3.21Å; D275-Q278 VanDerWaalsContact O-CG 3.31Å; D275-Q278 WeakPolarHBondContact O-CG 3.17Å; D275-Q278 PolarHBondContact O-N 2.82Å; D275-Q278 VanDerWaalsContact O-N 3.11Å; D275-Q278 PolarHBondContact OD1-NE2 2.99Å; Q278-Y280 PolarHBondContact O-N 3.16Å; Q278-I281 WeakPolarHBondContact CA-O 3.5Å; Q278-R282 HydrophobicContact CB-CB 4.43Å; Q278-R282 HydrophobicContact CG-CB 4.29Å
279D92.8Very high90.5Very high128 Ų12862.4 Ų62.468%0.68430%0.302SS*.THydrogen-bonded Turntrans-67.4-19.7176.4-65.5-28.9000113.1Y277 V294Y277-D279 PolarHBondContact O-N 2.81Å; Y277-D279 VanDerWaalsContact O-N 3.13Å; D279-V294 WeakPolarHBondContact O-CB 3.45Å; D279-V294 WeakPolarHBondContact O-CG1 3.43Å
280Y94.4Very high90.6Very high77 Ų7761 Ų6130%0.30230%0.298SS..THydrogen-bonded Turntrans-100.5-44.4177.5-56.8-81.7000111.4Y277 Q278 V294 D295 L302Y277-Y280 HydrophobicContact CD1-CD2 4.17Å; Y277-Y280 WeakPolarHBondContact O-CA 3.47Å; Y277-Y280 WeakPolarHBondContact O-CB 3.25Å; Y277-Y280 PolarHBondContact O-N 3.02Å; Q278-Y280 PolarHBondContact O-N 3.16Å; Y280-V294 PolarHBondContact O-N 3.14Å; Y280-D295 HydrophobicContact CD1-CB 4.23Å; Y280-D295 PolarHBondContact O-N 3.33Å; Y280-L302 HydrophobicContact CD1-CD1 3.96Å; Y280-L302 HydrophobicContact CD2-CD1 3.85Å; Y280-L302 HydrophobicContact CE1-CD1 4.29Å; Y280-L302 HydrophobicContact CE2-CD1 4.2Å; Y280-L302 HydrophobicContact CG-CD1 3.71Å
281I95.9Very high90.9Very high1 Ų160.1 Ų60.11%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-156136.6-175.3-164.3177000110.3V268 L271 L272 Y277 Q278 F291 R292 V293 L299V268-I281 HydrophobicContact CB-CD1 4.42Å; V268-I281 HydrophobicContact CG1-CD1 3.62Å; V268-I281 HydrophobicContact CG2-CD1 4.38Å; L271-I281 HydrophobicContact CB-CG2 3.65Å; L271-I281 HydrophobicContact CD1-CG2 4.23Å; L272-I281 HydrophobicContact CD1-CD1 4.31Å; L272-I281 HydrophobicContact CD2-CD1 4.33Å; L272-I281 HydrophobicContact CD2-CG1 3.88Å; L272-I281 HydrophobicContact CD2-CG2 4.46Å; L272-I281 HydrophobicContact CG-CD1 4.1Å; L272-I281 HydrophobicContact CG-CG1 4.18Å; L272-I281 HydrophobicContact CG-CG2 4.47Å; Y277-I281 PolarHBondContact O-N 3.16Å; Y277-I281 VanDerWaalsContact O-O 3.11Å; Q278-I281 WeakPolarHBondContact CA-O 3.5Å; I281-F291 HydrophobicContact CD1-CD2 3.81Å; I281-F291 HydrophobicContact CD1-CE2 4.01Å; I281-F291 HydrophobicContact CG1-CD2 4.1Å; I281-R292 WeakPolarHBondContact CA-O 3.49Å; I281-R292 WeakPolarHBondContact CG1-O 3.15Å; I281-V293 HydrophobicContact CD1-CG2 4.31Å; I281-V293 HydrophobicContact CG1-CG2 4.37Å; I281-L299 HydrophobicContact CB-CD1 4.42Å; I281-L299 HydrophobicContact CB-CD2 4.46Å; I281-L299 HydrophobicContact CD1-CD2 4.03Å; I281-L299 HydrophobicContact CG2-CD1 4.31Å
282R94.9Very high91.2Very high112 Ų11262.7 Ų62.742%0.42330%0.303SS..EExtended strand (participates in β ladder)trans-148.4160.3-177.669-176.1-169.9-177.63.4112.4Q278 E284 F291 R292 V294Q278-R282 HydrophobicContact CB-CB 4.43Å; Q278-R282 HydrophobicContact CG-CB 4.29Å; R282-E284 IonicContact NH2-OE2 3.54Å; R282-F291 CarbonylContact O-C 3.56Å; R282-F291 VanDerWaalsContact O-CA 3.3Å; R282-F291 WeakPolarHBondContact O-CA 3.5Å; R282-F291 WeakPolarHBondContact O-CB 3.43Å; R282-R292 PolarHBondContact N-O 3.2Å; R282-R292 PolarHBondContact O-N 3.01Å; R282-V294 HydrophobicContact CG-CG2 3.9Å
283W95.1Very high91.5Very high63 Ų6362.4 Ų62.424%0.23930%0.302CS..EExtended strand (participates in β ladder)trans-69131.1165.9-63.5107.2000109.5Y269 L272 P286 H289 F291 F342Y269-W283 HydrophobicContact CD2-CH2 4.22Å; Y269-W283 HydrophobicContact CD2-CZ2 4.1Å; Y269-W283 HydrophobicContact CE2-CH2 4.24Å; Y269-W283 AromaticContact CE2-CZ2 3.99Å; Y269-W283 HydrophobicContact CE2-CZ2 3.99Å; L272-W283 HydrophobicContact CB-CZ2 3.74Å; L272-W283 HydrophobicContact CD1-CD2 4.5Å; L272-W283 HydrophobicContact CD1-CH2 3.86Å; L272-W283 HydrophobicContact CD1-CZ2 3.8Å; L272-W283 HydrophobicContact CD1-CZ3 4.23Å; L272-W283 HydrophobicContact CD2-CD2 4.19Å; L272-W283 HydrophobicContact CD2-CG 4.29Å; L272-W283 HydrophobicContact CG-CZ2 4.28Å; L272-W283 PolarHBondContact O-NE1 3.01Å; W283-P286 HydrophobicContact CB-CG 3.9Å; W283-P286 HydrophobicContact CG-CG 4.36Å; W283-H289 HydrophobicContact CZ3-CB 4.14Å; W283-F291 HydrophobicContact CE3-CB 3.93Å; W283-F291 HydrophobicContact CZ3-CB 4.1Å; W283-F291 HydrophobicContact CZ3-CD1 4.4Å; W283-F342 AromaticContact CH2-CD2 3.95Å; W283-F342 HydrophobicContact CH2-CD2 3.95Å; W283-F342 HydrophobicContact CH2-CE2 4.36Å; W283-F342 HydrophobicContact CZ3-CD2 4.26Å
284E94.7Very high91.9Very high84 Ų8463.9 Ų63.939%0.39331%0.31SS..EExtended strand (participates in β ladder)trans-90-40.3166.1-164.585.1166.800109.2R282 V290 R292 L339R282-E284 IonicContact NH2-OE2 3.54Å; E284-V290 HydrophobicContact CB-CG1 4.14Å; E284-V290 PolarHBondContact N-O 3.47Å; E284-R292 IonicContact OE1-CZ 3.26Å; E284-R292 IonicContact OE1-NE 2.67Å; E284-R292 PolarHBondContact OE1-NE 3.26Å; E284-R292 IonicContact OE1-NH2 3.97Å; E284-R292 PolarHBondContact OE1-NH2 3.46Å; E284-R292 IonicContact OE2-CZ 3.37Å; E284-R292 IonicContact OE2-NE 2.85Å; E284-R292 PolarHBondContact OE2-NE 3.38Å; E284-R292 IonicContact OE2-NH2 3.38Å; E284-L339 HydrophobicContact CB-CD1 3.96Å; E284-L339 HydrophobicContact CG-CD1 4.14Å
285D90.7Very high92.5Very high54 Ų5465.9 Ų65.929%0.28932%0.321SS..EExtended strand (participates in β ladder)trans-143.3103.7174.7177.9-12.1000108.3D287 T288 H289 V290D285-D287 VanDerWaalsContact C-N 3.35Å; D285-D287 PolarHBondContact OD1-N 3.14Å; D285-T288 PolarHBondContact OD1-N 3.15Å; D285-T288 WeakPolarHBondContact OD2-CB 3.48Å; D285-T288 WeakPolarHBondContact OD2-CG2 3.37Å; D285-T288 PolarHBondContact OD2-OG1 3.3Å; D285-H289 CarbonylContact O-C 3.59Å; D285-H289 PolarHBondContact O-N 2.83Å; D285-H289 VanDerWaalsContact O-N 3.15Å; D285-V290 HydrophobicContact CB-CB 4.14Å; D285-V290 PolarHBondContact N-O 2.93Å; D285-V290 PolarHBondContact O-N 3.06Å
286P87.1Confident93.1Very high75 Ų7562.1 Ų62.149%0.48730%0.302SS..THydrogen-bonded Turntrans-63.4-37.4179-21.432.5000113.4W283 T288 H289W283-P286 HydrophobicContact CB-CG 3.9Å; W283-P286 HydrophobicContact CG-CG 4.36Å; P286-T288 VanDerWaalsContact C-N 3.34Å; P286-T288 PolarHBondContact O-N 2.99Å; P286-H289 PolarHBondContact O-CD2 2.79Å; P286-H289 PolarHBondContact O-N 3.19Å
287D85Confident93.5Very high148 Ų14861.3 Ų61.379%0.79131%0.307SS*.THydrogen-bonded Turntrans-69.9-37.1-173.5-62.3-38.9000110.8D285 H289D285-D287 VanDerWaalsContact C-N 3.35Å; D285-D287 PolarHBondContact OD1-N 3.14Å; D287-H289 VanDerWaalsContact C-N 3.33Å
288T89.1Confident93.6Very high55 Ų5561 Ų6134%0.33731%0.307SS..THydrogen-bonded Turntrans-95.98.917779.40000113.3D285 P286 V290 R341D285-T288 PolarHBondContact OD1-N 3.15Å; D285-T288 WeakPolarHBondContact OD2-CB 3.48Å; D285-T288 WeakPolarHBondContact OD2-CG2 3.37Å; D285-T288 PolarHBondContact OD2-OG1 3.3Å; P286-T288 VanDerWaalsContact C-N 3.34Å; P286-T288 PolarHBondContact O-N 2.99Å; T288-V290 PolarHBondContact O-N 3.43Å; T288-V290 VanDerWaalsContact OG1-CG2 3.3Å; T288-V290 WeakPolarHBondContact OG1-CG2 3.03Å; T288-R341 WeakPolarHBondContact O-CG 3.45Å; T288-R341 PolarHBondContact O-NH1 3.18Å; T288-R341 PolarHBondContact OG1-NH1 3.4Å; T288-R341 VanDerWaalsContact OG1-NH1 3.1Å
289H91.8Very high93.8Very high61 Ų6156.6 Ų56.628%0.28229%0.286SS..THydrogen-bonded Turntrans52.635.4-178.6-54.6133.3000114.4W283 D285 P286 D287 R341 F342 L345W283-H289 HydrophobicContact CZ3-CB 4.14Å; D285-H289 CarbonylContact O-C 3.59Å; D285-H289 PolarHBondContact O-N 2.83Å; D285-H289 VanDerWaalsContact O-N 3.15Å; P286-H289 PolarHBondContact O-CD2 2.79Å; P286-H289 PolarHBondContact O-N 3.19Å; D287-H289 VanDerWaalsContact C-N 3.33Å; H289-R341 WeakPolarHBondContact O-CA 3.38Å; H289-F342 HydrophobicContact CB-CB 4.03Å; H289-F342 PolarHBondContact O-N 3.16Å; H289-L345 VanDerWaalsContact CE1-CD1 3.49Å; H289-L345 WeakPolarHBondContact CE1-CD1 3.47Å
290V94.5Very high94Very high9 Ų950.6 Ų50.66%0.05525%0.254CS..EExtended strand (participates in β ladder)trans-89.9126.4175.9-179.20000109.4E284 D285 T288 E333 L339 F340 R341E284-V290 HydrophobicContact CB-CG1 4.14Å; E284-V290 PolarHBondContact N-O 3.47Å; D285-V290 HydrophobicContact CB-CB 4.14Å; D285-V290 PolarHBondContact N-O 2.93Å; D285-V290 PolarHBondContact O-N 3.06Å; T288-V290 PolarHBondContact O-N 3.43Å; T288-V290 VanDerWaalsContact OG1-CG2 3.3Å; T288-V290 WeakPolarHBondContact OG1-CG2 3.03Å; V290-E333 HydrophobicContact CG1-CG 4.4Å; V290-L339 HydrophobicContact CG1-CD1 3.66Å; V290-L339 HydrophobicContact CG1-CD2 3.96Å; V290-L339 HydrophobicContact CG1-CG 3.64Å; V290-F340 CarbonylContact C-O 3.54Å; V290-F340 WeakPolarHBondContact CA-O 3.08Å; V290-R341 HydrophobicContact CG2-CB 4.2Å; V290-R341 HydrophobicContact CG2-CG 4.1Å
291F96.5Very high93.8Very high1 Ų155.9 Ų55.90%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-125.2151177.269.8-89.3000111.8V268 L272 I281 R282 W283 V293 I330 F340 F342V268-F291 HydrophobicContact CG1-CD2 4.42Å; V268-F291 HydrophobicContact CG1-CE2 3.87Å; V268-F291 HydrophobicContact CG1-CZ 3.94Å; L272-F291 HydrophobicContact CD1-CB 3.66Å; L272-F291 HydrophobicContact CD1-CD1 4.09Å; L272-F291 HydrophobicContact CD1-CD2 4.09Å; L272-F291 HydrophobicContact CD1-CG 3.7Å; L272-F291 HydrophobicContact CD2-CB 3.8Å; L272-F291 HydrophobicContact CG-CB 4.39Å; I281-F291 HydrophobicContact CD1-CD2 3.81Å; I281-F291 HydrophobicContact CD1-CE2 4.01Å; I281-F291 HydrophobicContact CG1-CD2 4.1Å; R282-F291 CarbonylContact O-C 3.56Å; R282-F291 VanDerWaalsContact O-CA 3.3Å; R282-F291 WeakPolarHBondContact O-CA 3.5Å; R282-F291 WeakPolarHBondContact O-CB 3.43Å; W283-F291 HydrophobicContact CE3-CB 3.93Å; W283-F291 HydrophobicContact CZ3-CB 4.1Å; W283-F291 HydrophobicContact CZ3-CD1 4.4Å; F291-V293 HydrophobicContact CE2-CG2 4.44Å; F291-I330 HydrophobicContact CE1-CG2 4.25Å; F291-I330 HydrophobicContact CZ-CD1 4.21Å; F291-I330 HydrophobicContact CZ-CG2 4.2Å; F291-F340 HydrophobicContact CD1-CB 4.19Å; F291-F340 HydrophobicContact CD2-CB 4.31Å; F291-F340 HydrophobicContact CD2-CD2 4.43Å; F291-F340 HydrophobicContact CE1-CB 3.6Å; F291-F340 HydrophobicContact CE2-CB 3.74Å; F291-F340 AromaticContact CE2-CD2 3.8Å; F291-F340 HydrophobicContact CE2-CD2 3.8Å; F291-F340 HydrophobicContact CE2-CG 4.11Å; F291-F340 HydrophobicContact CZ-CB 3.37Å; F291-F340 HydrophobicContact CZ-CD2 4.2Å; F291-F340 HydrophobicContact CZ-CG 4.02Å; F291-F340 PolarHBondContact N-O 3.34Å; F291-F340 PolarHBondContact O-N 3.21Å; F291-F340 VanDerWaalsContact O-O 3.11Å; F291-F342 AromaticContact CD1-CD2 3.59Å; F291-F342 HydrophobicContact CD1-CD2 3.59Å; F291-F342 AromaticContact CD1-CE2 3.66Å; F291-F342 HydrophobicContact CD1-CE2 3.66Å; F291-F342 AromaticContact CE1-CD2 3.46Å; F291-F342 HydrophobicContact CE1-CD2 3.46Å; F291-F342 VanDerWaalsContact CE1-CD2 3.46Å; F291-F342 AromaticContact CE1-CE2 3.35Å; F291-F342 HydrophobicContact CE1-CE2 3.35Å; F291-F342 HydrophobicContact CE1-CG 4.3Å; F291-F342 HydrophobicContact CE1-CZ 4.14Å; F291-F342 HydrophobicContact CZ-CE2 4.06Å
292R97.2Very high93.7Very high55 Ų5556.7 Ų56.721%0.20828%0.278CS..EExtended strand (participates in β ladder)trans-114.8132.5178.2-174.3-179.9-64.6-83.12.9110I281 R282 E284 L339I281-R292 WeakPolarHBondContact CA-O 3.49Å; I281-R292 WeakPolarHBondContact CG1-O 3.15Å; R282-R292 PolarHBondContact N-O 3.2Å; R282-R292 PolarHBondContact O-N 3.01Å; E284-R292 IonicContact OE1-CZ 3.26Å; E284-R292 IonicContact OE1-NE 2.67Å; E284-R292 PolarHBondContact OE1-NE 3.26Å; E284-R292 IonicContact OE1-NH2 3.97Å; E284-R292 PolarHBondContact OE1-NH2 3.46Å; E284-R292 IonicContact OE2-CZ 3.37Å; E284-R292 IonicContact OE2-NE 2.85Å; E284-R292 PolarHBondContact OE2-NE 3.38Å; E284-R292 IonicContact OE2-NH2 3.38Å; R292-L339 HydrophobicContact CB-CD1 3.79Å; R292-L339 HydrophobicContact CG-CD1 4.3Å
293V97.7Very high93.6Very high2 Ų252.4 Ų52.41%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-81.7113.8163.3178.60000107.7I281 F291 P296 L299 Y314 L338 F340I281-V293 HydrophobicContact CD1-CG2 4.31Å; I281-V293 HydrophobicContact CG1-CG2 4.37Å; F291-V293 HydrophobicContact CE2-CG2 4.44Å; V293-P296 HydrophobicContact CG1-CB 4.11Å; V293-L299 HydrophobicContact CB-CD2 4.3Å; V293-L299 HydrophobicContact CG1-CB 4.44Å; V293-L299 HydrophobicContact CG1-CD2 3.65Å; V293-L299 HydrophobicContact CG2-CD2 3.72Å; V293-Y314 HydrophobicContact CG1-CE2 4.13Å; V293-L338 HydrophobicContact CB-CB 4.14Å; V293-L338 PolarHBondContact N-O 3.19Å; V293-L338 WeakPolarHBondContact O-CB 3.46Å; V293-L338 WeakPolarHBondContact O-CD1 3.49Å; V293-F340 HydrophobicContact CG2-CD2 4.17Å; V293-F340 HydrophobicContact CG2-CE2 3.87Å
294V96.9Very high93.4Very high64 Ų6449.5 Ų49.539%0.38825%0.251SS..SBendtrans-87-54.5-176.1-179.10000109.7D279 Y280 R282 P296D279-V294 WeakPolarHBondContact O-CB 3.45Å; D279-V294 WeakPolarHBondContact O-CG1 3.43Å; Y280-V294 PolarHBondContact O-N 3.14Å; R282-V294 HydrophobicContact CG-CG2 3.9Å; V294-P296 WeakPolarHBondContact O-CD 3.47Å
295D95.5Very high93.1Very high57 Ų5749.1 Ų49.131%0.30525%0.252SS..  trans-111.897.7172.4179.59.4000110.8Y280 N297 G298 L299Y280-D295 HydrophobicContact CD1-CB 4.23Å; Y280-D295 PolarHBondContact O-N 3.33Å; D295-N297 VanDerWaalsContact C-N 3.28Å; D295-N297 PolarHBondContact O-N 3.11Å; D295-N297 PolarHBondContact OD1-N 3.06Å; D295-G298 PolarHBondContact OD1-N 3.45Å; D295-G298 WeakPolarHBondContact OD2-CA 3.46Å; D295-G298 PolarHBondContact OD2-N 3.46Å; D295-L299 VanDerWaalsContact O-CB 3.29Å; D295-L299 WeakPolarHBondContact O-CB 3.47Å; D295-L299 PolarHBondContact O-N 3.12Å
296P96.7Very high92.9Very high29 Ų2948.3 Ų48.319%0.18825%0.246CC..Hα-helixtrans-63-33.7179.323.8-31.8000113V293 V294 A300 Y314 L338V293-P296 HydrophobicContact CG1-CB 4.11Å; V294-P296 WeakPolarHBondContact O-CD 3.47Å; P296-A300 WeakPolarHBondContact O-CB 3.49Å; P296-A300 PolarHBondContact O-N 3.37Å; P296-A300 VanDerWaalsContact O-N 3.08Å; P296-Y314 HydrophobicContact CB-CD1 3.9Å; P296-Y314 HydrophobicContact CB-CD2 3.44Å; P296-Y314 VanDerWaalsContact CB-CD2 3.44Å; P296-Y314 HydrophobicContact CB-CE1 4.33Å; P296-Y314 HydrophobicContact CB-CE2 3.94Å; P296-Y314 HydrophobicContact CB-CG 3.43Å; P296-Y314 VanDerWaalsContact CB-CG 3.43Å; P296-L338 HydrophobicContact CG-CD1 4.08Å
297N95.1Very high92.8Very high109 Ų10949.2 Ų49.258%0.58324%0.242SC*.Hα-helixtrans-75.3-45.8-177.6-67.1-45.3000110.7D295 A300 R301D295-N297 VanDerWaalsContact C-N 3.28Å; D295-N297 PolarHBondContact O-N 3.11Å; D295-N297 PolarHBondContact OD1-N 3.06Å; N297-A300 PolarHBondContact O-N 3.14Å; N297-R301 VanDerWaalsContact O-CG 3.3Å; N297-R301 WeakPolarHBondContact O-CG 3.3Å; N297-R301 PolarHBondContact O-N 3.31Å
298G92.3Very high92.8Very high3 Ų348.1 Ų48.13%0.03124%0.237CC..Hα-helixtrans-61.2-44.7174.100000112.5D295 A300 R301 L302D295-G298 PolarHBondContact OD1-N 3.45Å; D295-G298 WeakPolarHBondContact OD2-CA 3.46Å; D295-G298 PolarHBondContact OD2-N 3.46Å; G298-A300 VanDerWaalsContact C-N 3.34Å; G298-A300 PolarHBondContact O-N 3.16Å; G298-R301 WeakPolarHBondContact O-CB 3.45Å; G298-R301 PolarHBondContact O-N 3.39Å; G298-R301 VanDerWaalsContact O-N 3.17Å; G298-L302 WeakPolarHBondContact O-CG 3.4Å; G298-L302 PolarHBondContact O-N 3.38Å
299L95.9Very high92.7Very high2 Ų253.4 Ų53.41%0.0125%0.251CS..Hα-helixtrans-60-43.2176.1-178.462000112.2L271 I281 V293 D295 R301 L302 W303 M317L271-L299 HydrophobicContact CD1-CD1 3.39Å; I281-L299 HydrophobicContact CB-CD1 4.42Å; I281-L299 HydrophobicContact CB-CD2 4.46Å; I281-L299 HydrophobicContact CD1-CD2 4.03Å; I281-L299 HydrophobicContact CG2-CD1 4.31Å; V293-L299 HydrophobicContact CB-CD2 4.3Å; V293-L299 HydrophobicContact CG1-CB 4.44Å; V293-L299 HydrophobicContact CG1-CD2 3.65Å; V293-L299 HydrophobicContact CG2-CD2 3.72Å; D295-L299 VanDerWaalsContact O-CB 3.29Å; D295-L299 WeakPolarHBondContact O-CB 3.47Å; D295-L299 PolarHBondContact O-N 3.12Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.48Å; L299-L302 PolarHBondContact O-N 3.15Å; L299-W303 PolarHBondContact O-N 2.87Å; L299-M317 HydrophobicContact CD2-CE 3.77Å; L299-M317 HydrophobicContact CG-CE 3.91Å; L299-M317 HydrophobicContact CG-SD 4.23Å
300A95.9Very high92.2Very high1 Ų157.5 Ų57.51%0.00827%0.274CS..Hα-helixtrans-64.1-38176.600000112.5P296 N297 G298 W303 G304 M312 T313 Y314 M317P296-A300 WeakPolarHBondContact O-CB 3.49Å; P296-A300 PolarHBondContact O-N 3.37Å; P296-A300 VanDerWaalsContact O-N 3.08Å; N297-A300 PolarHBondContact O-N 3.14Å; G298-A300 VanDerWaalsContact C-N 3.34Å; G298-A300 PolarHBondContact O-N 3.16Å; A300-W303 PolarHBondContact O-N 3.4Å; A300-G304 PolarHBondContact O-N 3.15Å; A300-M312 HydrophobicContact CB-CG 4.43Å; A300-M312 WeakPolarHBondContact O-CG 3.34Å; A300-T313 VanDerWaalsContact CB-C 3.41Å; A300-Y314 VanDerWaalsContact CB-N 3.27Å; A300-M317 HydrophobicContact CB-SD 4.46Å
301R91.8Very high92Very high189 Ų18962.3 Ų62.371%0.71330%0.3SS*.Hα-helixtrans-66.2-41.2174.8-71.917467.4-147.9-0.1112N297 G298 L299 G304 N305N297-R301 VanDerWaalsContact O-CG 3.3Å; N297-R301 WeakPolarHBondContact O-CG 3.3Å; N297-R301 PolarHBondContact O-N 3.31Å; G298-R301 WeakPolarHBondContact O-CB 3.45Å; G298-R301 PolarHBondContact O-N 3.39Å; G298-R301 VanDerWaalsContact O-N 3.17Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.48Å; R301-G304 PolarHBondContact O-N 3.5Å; R301-N305 WeakPolarHBondContact O-CB 3.3Å; R301-N305 PolarHBondContact O-N 3.46Å
302L92.4Very high91.9Very high18 Ų1864 Ų649%0.09431%0.308CS..Hα-helixtrans-59.9-48.3175.2-73.1173.6000110.8Y267 Y277 Y280 G298 L299 G304 N305 H306Y267-L302 VanDerWaalsContact OH-C 3.23Å; Y267-L302 WeakPolarHBondContact OH-CB 3.42Å; Y267-L302 PolarHBondContact OH-O 3.47Å; Y267-L302 VanDerWaalsContact OH-O 3.14Å; Y277-L302 HydrophobicContact CD1-CD1 3.82Å; Y277-L302 HydrophobicContact CE1-CD1 4.11Å; Y277-L302 HydrophobicContact CE1-CD2 4.23Å; Y280-L302 HydrophobicContact CD1-CD1 3.96Å; Y280-L302 HydrophobicContact CD2-CD1 3.85Å; Y280-L302 HydrophobicContact CE1-CD1 4.29Å; Y280-L302 HydrophobicContact CE2-CD1 4.2Å; Y280-L302 HydrophobicContact CG-CD1 3.71Å; G298-L302 WeakPolarHBondContact O-CG 3.4Å; G298-L302 PolarHBondContact O-N 3.38Å; L299-L302 PolarHBondContact O-N 3.15Å; L302-G304 PolarHBondContact O-N 3.13Å; L302-N305 PolarHBondContact O-N 3.37Å; L302-H306 WeakPolarHBondContact O-CB 3.13Å; L302-H306 PolarHBondContact O-N 3.18Å
303W93Very high91.9Very high22 Ų2264 Ų648%0.08331%0.314CS..Hα-helixtrans-63.1-41.4175.1175.2-119.2000113L264 Y267 L299 A300 H306 K307 M317L264-W303 HydrophobicContact CB-CH2 4.18Å; L264-W303 HydrophobicContact CB-CZ2 4Å; L264-W303 HydrophobicContact CD1-CB 4.48Å; L264-W303 HydrophobicContact CD1-CD2 3.7Å; L264-W303 HydrophobicContact CD1-CE3 4.04Å; L264-W303 HydrophobicContact CD1-CG 3.89Å; L264-W303 HydrophobicContact CD1-CZ2 4.41Å; Y267-W303 HydrophobicContact CD1-CB 4.38Å; Y267-W303 HydrophobicContact CD1-CD2 4.35Å; Y267-W303 AromaticContact CD1-CE3 3.47Å; Y267-W303 HydrophobicContact CD1-CE3 3.47Å; Y267-W303 VanDerWaalsContact CD1-CE3 3.47Å; Y267-W303 HydrophobicContact CD1-CZ3 4.11Å; Y267-W303 HydrophobicContact CD2-CE3 4.09Å; Y267-W303 HydrophobicContact CD2-CZ3 4.2Å; Y267-W303 HydrophobicContact CE1-CB 4.02Å; Y267-W303 AromaticContact CE1-CE3 3.96Å; Y267-W303 HydrophobicContact CE1-CE3 3.96Å; Y267-W303 AromaticContact CG-CE3 3.54Å; Y267-W303 HydrophobicContact CG-CE3 3.54Å; Y267-W303 AromaticContact CG-CZ3 3.72Å; Y267-W303 HydrophobicContact CG-CZ3 3.72Å; L299-W303 PolarHBondContact O-N 2.87Å; A300-W303 PolarHBondContact O-N 3.4Å; W303-H306 HydrophobicContact CE3-CB 4.38Å; W303-H306 AromaticContact CE3-CD2 3.79Å; W303-H306 AromaticContact CZ3-CD2 3.47Å; W303-H306 VanDerWaalsContact CZ3-CD2 3.47Å; W303-H306 WeakPolarHBondContact CZ3-CD2 3.35Å; W303-H306 WeakPolarHBondContact O-CB 3.36Å; W303-H306 PolarHBondContact O-N 3.24Å; W303-K307 HydrophobicContact CD2-CG 3.88Å; W303-K307 HydrophobicContact CE3-CG 4.05Å; W303-K307 HydrophobicContact CH2-CD 3.57Å; W303-K307 HydrophobicContact CH2-CG 3.73Å; W303-K307 HydrophobicContact CZ2-CD 3.67Å; W303-K307 HydrophobicContact CZ2-CG 3.5Å; W303-K307 HydrophobicContact CZ3-CD 4.08Å; W303-K307 HydrophobicContact CZ3-CG 3.99Å; W303-K307 WeakPolarHBondContact O-CG 3Å; W303-K307 PolarHBondContact O-N 3.45Å; W303-M317 HydrophobicContact CB-SD 3.95Å; W303-M317 HydrophobicContact CG-CG 4.35Å; W303-M317 HydrophobicContact CG-SD 4.21Å
304G90.6Very high91.8Very high1 Ų165.7 Ų65.71%0.0132%0.321CS..Hα-helixtrans-57.7-49.5174.500000111.7A300 R301 L302 H306 K307 N308 R309A300-G304 PolarHBondContact O-N 3.15Å; R301-G304 PolarHBondContact O-N 3.5Å; L302-G304 PolarHBondContact O-N 3.13Å; G304-H306 VanDerWaalsContact C-N 3.31Å; G304-H306 PolarHBondContact O-N 3.09Å; G304-K307 CarbonylContact O-C 3.25Å; G304-K307 PolarHBondContact O-N 2.82Å; G304-K307 VanDerWaalsContact O-N 3.15Å; G304-N308 PolarHBondContact O-N 3.01Å; G304-R309 CarbonylContact C-O 3.18Å; G304-R309 VanDerWaalsContact C-O 3.25Å; G304-R309 WeakPolarHBondContact CA-O 3.46Å; G304-R309 PolarHBondContact O-N 3.15Å
305N88.9Confident91.8Very high77 Ų7769.5 Ų69.541%0.41233%0.334SS..Hα-helixtrans-61.5-39.1177.2-168.153.4000112.4N255 R301 L302 K307 N308N255-N305 PolarHBondContact O-ND2 3.2Å; R301-N305 WeakPolarHBondContact O-CB 3.3Å; R301-N305 PolarHBondContact O-N 3.46Å; L302-N305 PolarHBondContact O-N 3.37Å; N305-K307 VanDerWaalsContact C-N 3.33Å; N305-K307 PolarHBondContact O-N 3.33Å; N305-N308 PolarHBondContact O-N 3.43Å
306H85.9Confident91.8Very high36 Ų3672.6 Ų72.617%0.16735%0.345CS..Hα-helixtrans-61.1-40.7174.9-176.955.3000112.5G256 I258 C261 Y267 L302 W303 G304G256-H306 WeakPolarHBondContact O-CB 3.1Å; I258-H306 PolarHBondContact N-ND1 3.47Å; I258-H306 VanDerWaalsContact N-ND1 3.17Å; I258-H306 PolarHBondContact O-CE1 3.35Å; C261-H306 PolarHBondContact O-NE2 3.27Å; Y267-H306 HydrophobicContact CD2-CB 4.42Å; Y267-H306 AromaticContact CD2-CD2 3.79Å; Y267-H306 AromaticContact CD2-CG 3.91Å; Y267-H306 HydrophobicContact CE2-CB 3.76Å; Y267-H306 AromaticContact CE2-CD2 3.96Å; Y267-H306 AromaticContact CE2-CG 3.6Å; L302-H306 WeakPolarHBondContact O-CB 3.13Å; L302-H306 PolarHBondContact O-N 3.18Å; W303-H306 HydrophobicContact CE3-CB 4.38Å; W303-H306 AromaticContact CE3-CD2 3.79Å; W303-H306 AromaticContact CZ3-CD2 3.47Å; W303-H306 VanDerWaalsContact CZ3-CD2 3.47Å; W303-H306 WeakPolarHBondContact CZ3-CD2 3.35Å; W303-H306 WeakPolarHBondContact O-CB 3.36Å; W303-H306 PolarHBondContact O-N 3.24Å; G304-H306 VanDerWaalsContact C-N 3.31Å; G304-H306 PolarHBondContact O-N 3.09Å
307K84.9Confident91.8Very high94 Ų9471.4 Ų71.441%0.40934%0.337SS..THydrogen-bonded Turntrans-90.73.8-179.6-64.6-70.5-70.5-160.50114.2R262 W303 G304 N305 R309R262-K307 PolarHBondContact O-NZ 3.27Å; W303-K307 HydrophobicContact CD2-CG 3.88Å; W303-K307 HydrophobicContact CE3-CG 4.05Å; W303-K307 HydrophobicContact CH2-CD 3.57Å; W303-K307 HydrophobicContact CH2-CG 3.73Å; W303-K307 HydrophobicContact CZ2-CD 3.67Å; W303-K307 HydrophobicContact CZ2-CG 3.5Å; W303-K307 HydrophobicContact CZ3-CD 4.08Å; W303-K307 HydrophobicContact CZ3-CG 3.99Å; W303-K307 WeakPolarHBondContact O-CG 3Å; W303-K307 PolarHBondContact O-N 3.45Å; G304-K307 CarbonylContact O-C 3.25Å; G304-K307 PolarHBondContact O-N 2.82Å; G304-K307 VanDerWaalsContact O-N 3.15Å; N305-K307 VanDerWaalsContact C-N 3.33Å; N305-K307 PolarHBondContact O-N 3.33Å; K307-R309 VanDerWaalsContact C-N 3.29Å; K307-R309 HydrophobicContact CB-CG 4.04Å; K307-R309 PolarHBondContact O-N 2.75Å
308N85.4Confident91.9Very high126 Ų12666.6 Ų66.667%0.67431%0.312SS*.THydrogen-bonded Turntrans51.547.2-171.2-155.765.7000112.6G304 N305G304-N308 PolarHBondContact O-N 3.01Å; N305-N308 PolarHBondContact O-N 3.43Å
309R87.1Confident92.1Very high166 Ų16673.5 Ų73.563%0.62634%0.337SS*.  trans-124.3105.9176.9-61.4-64.1-173162.71.4108.8G304 K307 M312G304-R309 CarbonylContact C-O 3.18Å; G304-R309 VanDerWaalsContact C-O 3.25Å; G304-R309 WeakPolarHBondContact CA-O 3.46Å; G304-R309 PolarHBondContact O-N 3.15Å; K307-R309 VanDerWaalsContact C-N 3.29Å; K307-R309 HydrophobicContact CB-CG 4.04Å; K307-R309 PolarHBondContact O-N 2.75Å; R309-M312 HydrophobicContact CB-CE 4.32Å
310D82Confident92Very high146 Ų14675 Ų7578%0.78135%0.349SS*.THydrogen-bonded Turntrans-68.8-36.3-179.856.1-12.7000113.7M312D310-M312 VanDerWaalsContact C-N 3.27Å; D310-M312 PolarHBondContact O-N 3.29Å
311N90.1Very high91.9Very high110 Ų11075 Ų7559%0.58835%0.35SS*.THydrogen-bonded Turntrans-91.429.4-176.9-65.9-63.7000113.9K316N311-K316 PolarHBondContact O-NZ 2.87Å
312M93.9Very high92.1Very high37 Ų3771.9 Ų71.918%0.18234%0.338CS..  trans-79124.8177.9-174.45966.900110.6A300 R309 D310 K316 M317A300-M312 HydrophobicContact CB-CG 4.43Å; A300-M312 WeakPolarHBondContact O-CG 3.34Å; R309-M312 HydrophobicContact CB-CE 4.32Å; D310-M312 VanDerWaalsContact C-N 3.27Å; D310-M312 PolarHBondContact O-N 3.29Å; M312-K316 HydrophobicContact SD-CB 4.15Å; M312-M317 HydrophobicContact SD-CB 4.03Å
313T96.8Very high92.1Very high54 Ų5476.9 Ų76.933%0.33136%0.36SS..  trans-120.9160.6176690000110.2A300 E315 K316 M317A300-T313 VanDerWaalsContact CB-C 3.41Å; T313-E315 PolarHBondContact O-N 2.86Å; T313-K316 PolarHBondContact O-N 3.27Å; T313-K316 VanDerWaalsContact O-N 3.15Å; T313-K316 WeakPolarHBondContact OG1-CG 3.41Å; T313-K316 PolarHBondContact OG1-N 2.91Å; T313-M317 WeakPolarHBondContact O-CB 3.46Å; T313-M317 PolarHBondContact O-N 2.96Å
314Y97.1Very high92.1Very high38 Ų3876.8 Ų76.815%0.14936%0.36CS..Hα-helixtrans-59.9-35.2176.4-177.7-102.5000111.9V293 P296 A300 K316 M317 S318 L338 F340V293-Y314 HydrophobicContact CG1-CE2 4.13Å; P296-Y314 HydrophobicContact CB-CD1 3.9Å; P296-Y314 HydrophobicContact CB-CD2 3.44Å; P296-Y314 VanDerWaalsContact CB-CD2 3.44Å; P296-Y314 HydrophobicContact CB-CE1 4.33Å; P296-Y314 HydrophobicContact CB-CE2 3.94Å; P296-Y314 HydrophobicContact CB-CG 3.43Å; P296-Y314 VanDerWaalsContact CB-CG 3.43Å; A300-Y314 VanDerWaalsContact CB-N 3.27Å; Y314-K316 VanDerWaalsContact C-N 3.33Å; Y314-K316 PolarHBondContact O-N 3.4Å; Y314-M317 HydrophobicContact CD2-CE 3.48Å; Y314-M317 VanDerWaalsContact CD2-CE 3.48Å; Y314-M317 HydrophobicContact CE2-CE 3.7Å; Y314-M317 PolarHBondContact O-N 2.84Å; Y314-S318 WeakPolarHBondContact O-CB 3.38Å; Y314-S318 PolarHBondContact O-N 2.72Å; Y314-S318 PolarHBondContact O-OG 3.17Å; Y314-L338 HydrophobicContact CE1-CD2 3.69Å; Y314-L338 HydrophobicContact CE2-CD2 4.34Å; Y314-L338 WeakPolarHBondContact OH-CD2 3.36Å; Y314-F340 WeakPolarHBondContact OH-CZ 3.5Å
315E95.9Very high92.2Very high145 Ų14580.3 Ų80.368%0.67837%0.374SS*.Hα-helixtrans-62.1-40.1176.8-61-166.2107.600112.6T313 S318 R319T313-E315 PolarHBondContact O-N 2.86Å; E315-S318 PolarHBondContact O-OG 2.9Å; E315-S318 VanDerWaalsContact O-OG 3.08Å; E315-R319 WeakPolarHBondContact O-CG 3.24Å
316K96.3Very high92.3Very high121 Ų12185.3 Ų85.353%0.52639%0.392SS..Hα-helixtrans-71.8-49.1175.7-67.2175.7-173.61760110.9N311 M312 T313 Y314 S318 R319N311-K316 PolarHBondContact O-NZ 2.87Å; M312-K316 HydrophobicContact SD-CB 4.15Å; T313-K316 PolarHBondContact O-N 3.27Å; T313-K316 VanDerWaalsContact O-N 3.15Å; T313-K316 WeakPolarHBondContact OG1-CG 3.41Å; T313-K316 PolarHBondContact OG1-N 2.91Å; Y314-K316 VanDerWaalsContact C-N 3.33Å; Y314-K316 PolarHBondContact O-N 3.4Å; K316-S318 VanDerWaalsContact C-N 3.33Å; K316-S318 PolarHBondContact O-N 3.37Å; K316-R319 VanDerWaalsContact O-CB 3.3Å; K316-R319 WeakPolarHBondContact O-CB 3.4Å; K316-R319 WeakPolarHBondContact O-CG 3.26Å; K316-R319 PolarHBondContact O-N 3.49Å; K316-R319 VanDerWaalsContact O-N 3.15Å
317M96.5Very high92.3Very high4 Ų488.3 Ų88.32%0.0241%0.409CS..Hα-helixtrans-60.4-41.9179.8-176.2-171.477.800111.9L264 L299 A300 W303 M312 T313 Y314 R319 A320L264-M317 HydrophobicContact CD1-CG 3.78Å; L264-M317 HydrophobicContact CD1-SD 3.89Å; L264-M317 HydrophobicContact CD2-CG 3.59Å; L264-M317 WeakPolarHBondContact CD2-O 3.32Å; L264-M317 HydrophobicContact CG-CG 4.36Å; L299-M317 HydrophobicContact CD2-CE 3.77Å; L299-M317 HydrophobicContact CG-CE 3.91Å; L299-M317 HydrophobicContact CG-SD 4.23Å; A300-M317 HydrophobicContact CB-SD 4.46Å; W303-M317 HydrophobicContact CB-SD 3.95Å; W303-M317 HydrophobicContact CG-CG 4.35Å; W303-M317 HydrophobicContact CG-SD 4.21Å; M312-M317 HydrophobicContact SD-CB 4.03Å; T313-M317 WeakPolarHBondContact O-CB 3.46Å; T313-M317 PolarHBondContact O-N 2.96Å; Y314-M317 HydrophobicContact CD2-CE 3.48Å; Y314-M317 VanDerWaalsContact CD2-CE 3.48Å; Y314-M317 HydrophobicContact CE2-CE 3.7Å; Y314-M317 PolarHBondContact O-N 2.84Å; M317-R319 PolarHBondContact O-N 3.21Å; M317-R319 VanDerWaalsContact O-N 3.14Å; M317-A320 WeakPolarHBondContact O-CB 3.28Å; M317-A320 PolarHBondContact O-N 3.22Å
318S96.8Very high92.6Very high8 Ų888.4 Ų88.46%0.05641%0.413CS..Hα-helixtrans-66.1-14.3179.965.50000113.5Y314 E315 K316 A320 L321 R322Y314-S318 WeakPolarHBondContact O-CB 3.38Å; Y314-S318 PolarHBondContact O-N 2.72Å; Y314-S318 PolarHBondContact O-OG 3.17Å; E315-S318 PolarHBondContact O-OG 2.9Å; E315-S318 VanDerWaalsContact O-OG 3.08Å; K316-S318 VanDerWaalsContact C-N 3.33Å; K316-S318 PolarHBondContact O-N 3.37Å; S318-A320 VanDerWaalsContact C-N 3.35Å; S318-L321 WeakPolarHBondContact O-CB 3.31Å; S318-L321 PolarHBondContact O-N 3.44Å; S318-R322 WeakPolarHBondContact O-CG 3.14Å; S318-R322 PolarHBondContact O-N 2.76Å
319R96.2Very high92.8Very high148 Ų14883 Ų8356%0.55839%0.385SS*.Hα-helixtrans-61.2-44.4168.6-59.8-59.8175.1129.1-4.5111.1E315 K316 M317 L321 R322 H323E315-R319 WeakPolarHBondContact O-CG 3.24Å; K316-R319 VanDerWaalsContact O-CB 3.3Å; K316-R319 WeakPolarHBondContact O-CB 3.4Å; K316-R319 WeakPolarHBondContact O-CG 3.26Å; K316-R319 PolarHBondContact O-N 3.49Å; K316-R319 VanDerWaalsContact O-N 3.15Å; M317-R319 PolarHBondContact O-N 3.21Å; M317-R319 VanDerWaalsContact O-N 3.14Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 2.93Å; R319-R322 WeakPolarHBondContact O-CB 3.48Å; R319-R322 PolarHBondContact O-N 3.15Å; R319-R322 VanDerWaalsContact O-N 3.15Å; R319-H323 PolarHBondContact O-CD2 3.2Å; R319-H323 PolarHBondContact O-N 3.47Å; R319-H323 VanDerWaalsContact O-N 3.08Å
320A94.6Very high93.2Very high33 Ų3375.1 Ų75.127%0.27336%0.355SS..Hα-helixtrans-62.6-39.9175.100000111.7L264 M317 S318 R322 H323 Y324L264-A320 HydrophobicContact CB-CB 4.45Å; L264-A320 HydrophobicContact CD2-CB 3.69Å; M317-A320 WeakPolarHBondContact O-CB 3.28Å; M317-A320 PolarHBondContact O-N 3.22Å; S318-A320 VanDerWaalsContact C-N 3.35Å; A320-R322 VanDerWaalsContact C-N 3.3Å; A320-R322 PolarHBondContact O-N 3.39Å; A320-H323 WeakPolarHBondContact O-CB 3.22Å; A320-H323 PolarHBondContact O-N 2.7Å; A320-H323 VanDerWaalsContact O-N 3.15Å; A320-Y324 HydrophobicContact CB-CE2 4.44Å; A320-Y324 VanDerWaalsContact O-CD2 3.3Å; A320-Y324 WeakPolarHBondContact O-CD2 3.47Å; A320-Y324 PolarHBondContact O-N 3.33Å; A320-Y324 VanDerWaalsContact O-N 3.09Å
321L94.8Very high93.8Very high2 Ų272.5 Ų72.51%0.0134%0.338CS..Hα-helixtrans-58.9-41173.4-62.8179000112.1L264 S318 R319 H323 Y324 Y325 I330 F340L264-L321 HydrophobicContact CD2-CD2 3.8Å; L264-L321 HydrophobicContact CD2-CG 3.92Å; L264-L321 HydrophobicContact CG-CD2 4.39Å; S318-L321 WeakPolarHBondContact O-CB 3.31Å; S318-L321 PolarHBondContact O-N 3.44Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 2.93Å; L321-H323 VanDerWaalsContact C-N 3.34Å; L321-H323 PolarHBondContact O-N 3.47Å; L321-Y324 HydrophobicContact CD2-CD2 4.14Å; L321-Y324 HydrophobicContact CD2-CE2 4.48Å; L321-Y324 WeakPolarHBondContact O-CB 3.36Å; L321-Y324 PolarHBondContact O-N 2.78Å; L321-Y324 VanDerWaalsContact O-N 3.13Å; L321-Y325 WeakPolarHBondContact O-CD1 3.31Å; L321-Y325 WeakPolarHBondContact O-CE1 3.06Å; L321-Y325 PolarHBondContact O-N 3.42Å; L321-I330 HydrophobicContact CD2-CD1 3.94Å; L321-F340 HydrophobicContact CD1-CE1 4.45Å; L321-F340 HydrophobicContact CD1-CE2 4.47Å; L321-F340 HydrophobicContact CD1-CZ 4.16Å
322R94.4Very high94Very high123 Ų12370.2 Ų70.246%0.46432%0.323SS..Hα-helixtrans-64.9-36.6176-66.3169.3-166.2-175.82.5112.6S318 R319 A320 Y324 Y325S318-R322 WeakPolarHBondContact O-CG 3.14Å; S318-R322 PolarHBondContact O-N 2.76Å; R319-R322 WeakPolarHBondContact O-CB 3.48Å; R319-R322 PolarHBondContact O-N 3.15Å; R319-R322 VanDerWaalsContact O-N 3.15Å; A320-R322 VanDerWaalsContact C-N 3.3Å; A320-R322 PolarHBondContact O-N 3.39Å; R322-Y324 PolarHBondContact O-N 2.88Å; R322-Y325 HydrophobicContact CB-CD2 4.3Å; R322-Y325 HydrophobicContact CB-CE2 4.1Å; R322-Y325 HydrophobicContact CG-CD2 4.46Å; R322-Y325 HydrophobicContact CG-CE2 3.79Å; R322-Y325 VanDerWaalsContact O-CB 3.31Å; R322-Y325 WeakPolarHBondContact O-CB 3.49Å; R322-Y325 PolarHBondContact O-N 3.07Å
323H92.9Very high94.1Very high123 Ų12370.3 Ų70.357%0.56932%0.323SS*.Hα-helixtrans-62.7-35.8173.1-71.4-70.2000111.6R319 A320 L321 Y325 K326 L327R319-H323 PolarHBondContact O-CD2 3.2Å; R319-H323 PolarHBondContact O-N 3.47Å; R319-H323 VanDerWaalsContact O-N 3.08Å; A320-H323 WeakPolarHBondContact O-CB 3.22Å; A320-H323 PolarHBondContact O-N 2.7Å; A320-H323 VanDerWaalsContact O-N 3.15Å; L321-H323 VanDerWaalsContact C-N 3.34Å; L321-H323 PolarHBondContact O-N 3.47Å; H323-Y325 PolarHBondContact O-N 3.29Å; H323-K326 PolarHBondContact O-N 3.08Å; H323-L327 PolarHBondContact O-N 3.37Å
324Y94.3Very high93.9Very high21 Ų2179.2 Ų79.28%0.08235%0.35CS..Hα-helixtrans-66-18.4176-60.1-32.1000114.4L264 W265 A320 L321 R322 L327 N328 I329 I330L264-Y324 HydrophobicContact CB-CE2 3.99Å; L264-Y324 HydrophobicContact CD2-CE2 4.38Å; L264-Y324 HydrophobicContact CG-CE2 4.39Å; L264-Y324 PolarHBondContact N-OH 2.7Å; W265-Y324 HydrophobicContact CB-CD2 4.01Å; W265-Y324 HydrophobicContact CB-CE2 3.65Å; W265-Y324 AromaticContact CD1-CE1 3.8Å; W265-Y324 AromaticContact CD1-CZ 3.64Å; W265-Y324 HydrophobicContact CG-CE2 4.39Å; W265-Y324 PolarHBondContact N-OH 3.39Å; A320-Y324 HydrophobicContact CB-CE2 4.44Å; A320-Y324 VanDerWaalsContact O-CD2 3.3Å; A320-Y324 WeakPolarHBondContact O-CD2 3.47Å; A320-Y324 PolarHBondContact O-N 3.33Å; A320-Y324 VanDerWaalsContact O-N 3.09Å; L321-Y324 HydrophobicContact CD2-CD2 4.14Å; L321-Y324 HydrophobicContact CD2-CE2 4.48Å; L321-Y324 WeakPolarHBondContact O-CB 3.36Å; L321-Y324 PolarHBondContact O-N 2.78Å; L321-Y324 VanDerWaalsContact O-N 3.13Å; R322-Y324 PolarHBondContact O-N 2.88Å; Y324-L327 HydrophobicContact CD1-CD1 4.21Å; Y324-L327 PolarHBondContact O-N 3.21Å; Y324-N328 PolarHBondContact O-N 3.41Å; Y324-I329 HydrophobicContact CD1-CD1 3.97Å; Y324-I329 HydrophobicContact CE1-CD1 4.49Å; Y324-I329 HydrophobicContact CG-CB 4.49Å; Y324-I329 PolarHBondContact O-N 3.11Å; Y324-I330 CarbonylContact C-O 3.58Å; Y324-I330 HydrophobicContact CD2-CD1 3.93Å; Y324-I330 PolarHBondContact O-N 3.16Å
325Y92.5Very high93.5Very high74 Ų7481.7 Ų81.729%0.2939%0.388SS..Hα-helixtrans-64.9-46.9171.9-53.1-14000110.8L321 R322 H323 L327 N328 I330 K332 F340L321-Y325 WeakPolarHBondContact O-CD1 3.31Å; L321-Y325 WeakPolarHBondContact O-CE1 3.06Å; L321-Y325 PolarHBondContact O-N 3.42Å; R322-Y325 HydrophobicContact CB-CD2 4.3Å; R322-Y325 HydrophobicContact CB-CE2 4.1Å; R322-Y325 HydrophobicContact CG-CD2 4.46Å; R322-Y325 HydrophobicContact CG-CE2 3.79Å; R322-Y325 VanDerWaalsContact O-CB 3.31Å; R322-Y325 WeakPolarHBondContact O-CB 3.49Å; R322-Y325 PolarHBondContact O-N 3.07Å; H323-Y325 PolarHBondContact O-N 3.29Å; Y325-L327 VanDerWaalsContact C-N 3.29Å; Y325-L327 PolarHBondContact O-N 3.03Å; Y325-N328 PolarHBondContact O-N 2.96Å; Y325-I330 VanDerWaalsContact CA-O 3.28Å; Y325-I330 WeakPolarHBondContact CA-O 3.33Å; Y325-I330 WeakPolarHBondContact CD1-O 3.49Å; Y325-K332 HydrophobicContact CE1-CB 4.05Å; Y325-K332 HydrophobicContact CE2-CB 4.04Å; Y325-F340 HydrophobicContact CE1-CD1 4.43Å; Y325-F340 HydrophobicContact CE1-CE1 4.49Å; Y325-F340 WeakPolarHBondContact OH-CE1 3.47Å
326K89.3Confident93.4Very high183 Ų18379.2 Ų79.280%0.79638%0.376SS*.Hα-helixtrans-67.1-33179.1-64.9-171.3177-171.80112H323 N328H323-K326 PolarHBondContact O-N 3.08Å; K326-N328 PolarHBondContact O-N 2.86Å
327L87.4Confident93.3Very high99 Ų9982.4 Ų82.452%0.51839%0.39SS..THydrogen-bonded Turntrans-80.20.4179-62176.5000113.3H323 Y324 Y325 I329H323-L327 PolarHBondContact O-N 3.37Å; Y324-L327 HydrophobicContact CD1-CD1 4.21Å; Y324-L327 PolarHBondContact O-N 3.21Å; Y325-L327 VanDerWaalsContact C-N 3.29Å; Y325-L327 PolarHBondContact O-N 3.03Å; L327-I329 HydrophobicContact CB-CD1 3.75Å; L327-I329 HydrophobicContact CB-CG1 3.79Å; L327-I329 HydrophobicContact CD1-CD1 4.05Å; L327-I329 PolarHBondContact O-N 3.36Å
328N89.8Confident93.2Very high95 Ų9584.5 Ų84.551%0.50840%0.401SS..THydrogen-bonded Turntrans50.538.6-174.4-65.5-51.4000112.3Y324 Y325 K326 L343 K344Y324-N328 PolarHBondContact O-N 3.41Å; Y325-N328 PolarHBondContact O-N 2.96Å; K326-N328 PolarHBondContact O-N 2.86Å; N328-L343 HydrophobicContact CB-CD1 4.4Å; N328-K344 WeakPolarHBondContact O-CD 3.41Å; N328-K344 VanDerWaalsContact O-CG 3.32Å; N328-K344 WeakPolarHBondContact O-CG 3.41Å
329I90.9Very high93.2Very high14 Ų1484.4 Ų84.47%0.07240%0.4CS..SBendtrans-95.2-47.6176.5-62.7176.1000108.8W265 Y324 L327 L343 I349W265-I329 HydrophobicContact CB-CG2 4.05Å; W265-I329 HydrophobicContact CG-CG2 4.13Å; Y324-I329 HydrophobicContact CD1-CD1 3.97Å; Y324-I329 HydrophobicContact CE1-CD1 4.49Å; Y324-I329 HydrophobicContact CG-CB 4.49Å; Y324-I329 PolarHBondContact O-N 3.11Å; L327-I329 HydrophobicContact CB-CD1 3.75Å; L327-I329 HydrophobicContact CB-CG1 3.79Å; L327-I329 HydrophobicContact CD1-CD1 4.05Å; L327-I329 PolarHBondContact O-N 3.36Å; I329-L343 PolarHBondContact O-N 3.43Å; I329-I349 HydrophobicContact CD1-CG2 3.89Å; I329-I349 HydrophobicContact CG1-CG1 4.41Å; I329-I349 HydrophobicContact CG1-CG2 4.31Å; I329-I349 HydrophobicContact CG2-CD1 3.6Å; I329-I349 HydrophobicContact CG2-CG1 4.17Å; I329-I349 HydrophobicContact CG2-CG2 4.48Å
330I94.5Very high93.3Very high0 Ų077.5 Ų77.50%037%0.374CS..EExtended strand (participates in β ladder)trans-129.3141179.1-60.3-179.1000108W265 F291 L321 Y324 Y325 F340 R341 F342W265-I330 HydrophobicContact CB-CD1 4.27Å; F291-I330 HydrophobicContact CE1-CG2 4.25Å; F291-I330 HydrophobicContact CZ-CD1 4.21Å; F291-I330 HydrophobicContact CZ-CG2 4.2Å; L321-I330 HydrophobicContact CD2-CD1 3.94Å; Y324-I330 CarbonylContact C-O 3.58Å; Y324-I330 HydrophobicContact CD2-CD1 3.93Å; Y324-I330 PolarHBondContact O-N 3.16Å; Y325-I330 VanDerWaalsContact CA-O 3.28Å; Y325-I330 WeakPolarHBondContact CA-O 3.33Å; Y325-I330 WeakPolarHBondContact CD1-O 3.49Å; I330-F340 HydrophobicContact CG2-CB 3.89Å; I330-F340 HydrophobicContact CG2-CD1 4.32Å; I330-F340 HydrophobicContact CG2-CG 4.46Å; I330-R341 CarbonylContact C-O 3.56Å; I330-R341 VanDerWaalsContact CA-O 3.25Å; I330-R341 WeakPolarHBondContact CA-O 3.46Å; I330-F342 HydrophobicContact CD1-CD1 4.31Å; I330-F342 HydrophobicContact CD1-CE1 3.7Å; I330-F342 HydrophobicContact CD1-CZ 3.91Å; I330-F342 HydrophobicContact CG1-CD1 3.77Å; I330-F342 HydrophobicContact CG1-CE1 3.65Å; I330-F342 HydrophobicContact CG1-CG 4.48Å; I330-F342 HydrophobicContact CG1-CZ 4.27Å
331Q94.5Very high93.3Very high91 Ų9179 Ų7943%0.42537%0.372SS..EExtended strand (participates in β ladder)trans-111.1146.9171.7-167.7173.643.900110.5F340 R341 L343Q331-F340 CarbonylContact O-C 3.28Å; Q331-F340 VanDerWaalsContact O-CA 3.29Å; Q331-F340 WeakPolarHBondContact O-CA 3.43Å; Q331-R341 HydrophobicContact CB-CB 4.41Å; Q331-R341 PolarHBondContact N-O 3.14Å; Q331-R341 PolarHBondContact O-N 3.31Å; Q331-L343 HydrophobicContact CB-CD1 3.85Å; Q331-L343 HydrophobicContact CB-CD2 4.02Å; Q331-L343 HydrophobicContact CB-CG 3.83Å; Q331-L343 HydrophobicContact CG-CD1 4.49Å
332K95.3Very high93.2Very high61 Ų6179.3 Ų79.327%0.26537%0.374SS..EExtended strand (participates in β ladder)trans-87.1121.5169.3179.665.6-161.8152.90109.9Y325 R334 Q336 L339 F340Y325-K332 HydrophobicContact CE1-CB 4.05Å; Y325-K332 HydrophobicContact CE2-CB 4.04Å; K332-R334 PolarHBondContact O-N 3.42Å; K332-Q336 VanDerWaalsContact CE-O 3.23Å; K332-Q336 WeakPolarHBondContact CE-O 3.44Å; K332-Q336 PolarHBondContact NZ-O 3.45Å; K332-L339 PolarHBondContact NZ-O 3.43Å; K332-F340 HydrophobicContact CD-CD1 3.75Å; K332-F340 HydrophobicContact CD-CE1 3.45Å; K332-F340 VanDerWaalsContact CD-CE1 3.45Å; K332-F340 HydrophobicContact CD-CZ 4.23Å
333E95.4Very high92.9Very high39 Ų3977 Ų7718%0.18237%0.37CS..PPolyproline II helixtrans-66.5124.2170.8-66.6-60.3128.100109.5V290 L339 R341V290-E333 HydrophobicContact CG1-CG 4.4Å; E333-L339 HydrophobicContact CB-CB 4.13Å; E333-L339 HydrophobicContact CB-CD2 4.01Å; E333-L339 HydrophobicContact CB-CG 4.18Å; E333-L339 HydrophobicContact CG-CB 4.41Å; E333-L339 HydrophobicContact CG-CD2 3.96Å; E333-L339 HydrophobicContact CG-CG 3.99Å; E333-L339 PolarHBondContact N-O 2.88Å; E333-R341 WeakPolarHBondContact OE1-CB 3.43Å; E333-R341 IonicContact OE1-CZ 3.45Å; E333-R341 IonicContact OE1-NE 3.39Å; E333-R341 PolarHBondContact OE1-NE 3.13Å; E333-R341 IonicContact OE1-NH2 3.09Å; E333-R341 PolarHBondContact OE1-NH2 3.33Å; E333-R341 IonicContact OE2-NH2 3.59Å; E333-R341 PolarHBondContact OE2-NH2 3.46Å
334R92.1Very high92.2Very high241 Ų24174.6 Ų74.691%0.90936%0.358SS*.THydrogen-bonded Turntrans-71.1142.7-178.9-65.9-175.2178.1178.90.3109.6K332 Q336K332-R334 PolarHBondContact O-N 3.42Å; R334-Q336 PolarHBondContact O-N 3.04Å; R334-Q336 VanDerWaalsContact O-N 3.13Å
335G89.6Confident91Very high91 Ų9174.2 Ų74.294%0.93836%0.358SS*.THydrogen-bonded Turntrans77.1-13.8178.600000115.7
336Q93Very high89.6Confident93 Ų9370.9 Ų70.944%0.43535%0.345SS..  trans-113.4121179.6-65.8-143.746.700112.6K332 R334 L339K332-Q336 VanDerWaalsContact CE-O 3.23Å; K332-Q336 WeakPolarHBondContact CE-O 3.44Å; K332-Q336 PolarHBondContact NZ-O 3.45Å; R334-Q336 PolarHBondContact O-N 3.04Å; R334-Q336 VanDerWaalsContact O-N 3.13Å; Q336-L339 HydrophobicContact CB-CB 3.77Å; Q336-L339 HydrophobicContact CB-CD2 3.85Å; Q336-L339 HydrophobicContact CB-CG 4.48Å; Q336-L339 HydrophobicContact CG-CD2 4.1Å
337K93.7Very high88.1Confident188 Ų18863.5 Ų63.582%0.81731%0.313SS*.THydrogen-bonded Turntrans-68.5142.1174.2-66.8-178.4-178.7176.90109.8L339K337-L339 PolarHBondContact O-N 3.19Å
338L96.1Very high86.9Confident47 Ų4762.5 Ų62.525%0.24631%0.308CS..THydrogen-bonded Turntrans59.37.7175.6-54.3-178.4000117.2V293 P296 Y314 F340V293-L338 HydrophobicContact CB-CB 4.14Å; V293-L338 PolarHBondContact N-O 3.19Å; V293-L338 WeakPolarHBondContact O-CB 3.46Å; V293-L338 WeakPolarHBondContact O-CD1 3.49Å; P296-L338 HydrophobicContact CG-CD1 4.08Å; Y314-L338 HydrophobicContact CE1-CD2 3.69Å; Y314-L338 HydrophobicContact CE2-CD2 4.34Å; Y314-L338 WeakPolarHBondContact OH-CD2 3.36Å; L338-F340 VanDerWaalsContact C-CE2 3.47Å; L338-F340 VanDerWaalsContact O-CD2 3.29Å; L338-F340 WeakPolarHBondContact O-CD2 3.29Å; L338-F340 VanDerWaalsContact O-CE2 3.3Å; L338-F340 WeakPolarHBondContact O-CE2 3.32Å
339L96.8Very high85.6Confident6 Ų658.4 Ų58.43%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-97.4134.8174.2-160.271.5000111.7E284 V290 R292 K332 E333 Q336 K337E284-L339 HydrophobicContact CB-CD1 3.96Å; E284-L339 HydrophobicContact CG-CD1 4.14Å; V290-L339 HydrophobicContact CG1-CD1 3.66Å; V290-L339 HydrophobicContact CG1-CD2 3.96Å; V290-L339 HydrophobicContact CG1-CG 3.64Å; R292-L339 HydrophobicContact CB-CD1 3.79Å; R292-L339 HydrophobicContact CG-CD1 4.3Å; K332-L339 PolarHBondContact NZ-O 3.43Å; E333-L339 HydrophobicContact CB-CB 4.13Å; E333-L339 HydrophobicContact CB-CD2 4.01Å; E333-L339 HydrophobicContact CB-CG 4.18Å; E333-L339 HydrophobicContact CG-CB 4.41Å; E333-L339 HydrophobicContact CG-CD2 3.96Å; E333-L339 HydrophobicContact CG-CG 3.99Å; E333-L339 PolarHBondContact N-O 2.88Å; Q336-L339 HydrophobicContact CB-CB 3.77Å; Q336-L339 HydrophobicContact CB-CD2 3.85Å; Q336-L339 HydrophobicContact CB-CG 4.48Å; Q336-L339 HydrophobicContact CG-CD2 4.1Å; K337-L339 PolarHBondContact O-N 3.19Å
340F96.6Very high84.3Confident4 Ų462.7 Ų62.72%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-144.6160.6-174.2-56.4-85.1000110.3V290 F291 V293 Y314 L321 Y325 I330 Q331 K332 L338V290-F340 CarbonylContact C-O 3.54Å; V290-F340 WeakPolarHBondContact CA-O 3.08Å; F291-F340 HydrophobicContact CD1-CB 4.19Å; F291-F340 HydrophobicContact CD2-CB 4.31Å; F291-F340 HydrophobicContact CD2-CD2 4.43Å; F291-F340 HydrophobicContact CE1-CB 3.6Å; F291-F340 HydrophobicContact CE2-CB 3.74Å; F291-F340 AromaticContact CE2-CD2 3.8Å; F291-F340 HydrophobicContact CE2-CD2 3.8Å; F291-F340 HydrophobicContact CE2-CG 4.11Å; F291-F340 HydrophobicContact CZ-CB 3.37Å; F291-F340 HydrophobicContact CZ-CD2 4.2Å; F291-F340 HydrophobicContact CZ-CG 4.02Å; F291-F340 PolarHBondContact N-O 3.34Å; F291-F340 PolarHBondContact O-N 3.21Å; F291-F340 VanDerWaalsContact O-O 3.11Å; V293-F340 HydrophobicContact CG2-CD2 4.17Å; V293-F340 HydrophobicContact CG2-CE2 3.87Å; Y314-F340 WeakPolarHBondContact OH-CZ 3.5Å; L321-F340 HydrophobicContact CD1-CE1 4.45Å; L321-F340 HydrophobicContact CD1-CE2 4.47Å; L321-F340 HydrophobicContact CD1-CZ 4.16Å; Y325-F340 HydrophobicContact CE1-CD1 4.43Å; Y325-F340 HydrophobicContact CE1-CE1 4.49Å; Y325-F340 WeakPolarHBondContact OH-CE1 3.47Å; I330-F340 HydrophobicContact CG2-CB 3.89Å; I330-F340 HydrophobicContact CG2-CD1 4.32Å; I330-F340 HydrophobicContact CG2-CG 4.46Å; Q331-F340 CarbonylContact O-C 3.28Å; Q331-F340 VanDerWaalsContact O-CA 3.29Å; Q331-F340 WeakPolarHBondContact O-CA 3.43Å; K332-F340 HydrophobicContact CD-CD1 3.75Å; K332-F340 HydrophobicContact CD-CE1 3.45Å; K332-F340 VanDerWaalsContact CD-CE1 3.45Å; K332-F340 HydrophobicContact CD-CZ 4.23Å; L338-F340 VanDerWaalsContact C-CE2 3.47Å; L338-F340 VanDerWaalsContact O-CD2 3.29Å; L338-F340 WeakPolarHBondContact O-CD2 3.29Å; L338-F340 VanDerWaalsContact O-CE2 3.3Å; L338-F340 WeakPolarHBondContact O-CE2 3.32Å
341R94.8Very high82.4Confident63 Ų6368.6 Ų68.624%0.23833%0.327CS..EExtended strand (participates in β ladder)trans-129.9134.4179.6-176.8-172.5-57.8-93.11.8110.8T288 H289 V290 I330 Q331 E333T288-R341 WeakPolarHBondContact O-CG 3.45Å; T288-R341 PolarHBondContact O-NH1 3.18Å; T288-R341 PolarHBondContact OG1-NH1 3.4Å; T288-R341 VanDerWaalsContact OG1-NH1 3.1Å; H289-R341 WeakPolarHBondContact O-CA 3.38Å; V290-R341 HydrophobicContact CG2-CB 4.2Å; V290-R341 HydrophobicContact CG2-CG 4.1Å; I330-R341 CarbonylContact C-O 3.56Å; I330-R341 VanDerWaalsContact CA-O 3.25Å; I330-R341 WeakPolarHBondContact CA-O 3.46Å; Q331-R341 HydrophobicContact CB-CB 4.41Å; Q331-R341 PolarHBondContact N-O 3.14Å; Q331-R341 PolarHBondContact O-N 3.31Å; E333-R341 WeakPolarHBondContact OE1-CB 3.43Å; E333-R341 IonicContact OE1-CZ 3.45Å; E333-R341 IonicContact OE1-NE 3.39Å; E333-R341 PolarHBondContact OE1-NE 3.13Å; E333-R341 IonicContact OE1-NH2 3.09Å; E333-R341 PolarHBondContact OE1-NH2 3.33Å; E333-R341 IonicContact OE2-NH2 3.59Å; E333-R341 PolarHBondContact OE2-NH2 3.46Å
342F94.1Very high80.4Confident9 Ų969.8 Ų69.84%0.03933%0.333CS..EExtended strand (participates in β ladder)trans-77.2124166.7-81.8-80.9000109.9W265 V268 Y269 L272 W283 H289 F291 I330W265-F342 HydrophobicContact CB-CE1 4.3Å; V268-F342 HydrophobicContact CB-CZ 4.49Å; V268-F342 HydrophobicContact CG1-CE2 4Å; V268-F342 HydrophobicContact CG1-CZ 3.87Å; Y269-F342 HydrophobicContact CD2-CE2 4.47Å; L272-F342 HydrophobicContact CD1-CE2 3.96Å; W283-F342 AromaticContact CH2-CD2 3.95Å; W283-F342 HydrophobicContact CH2-CD2 3.95Å; W283-F342 HydrophobicContact CH2-CE2 4.36Å; W283-F342 HydrophobicContact CZ3-CD2 4.26Å; H289-F342 HydrophobicContact CB-CB 4.03Å; H289-F342 PolarHBondContact O-N 3.16Å; F291-F342 AromaticContact CD1-CD2 3.59Å; F291-F342 HydrophobicContact CD1-CD2 3.59Å; F291-F342 AromaticContact CD1-CE2 3.66Å; F291-F342 HydrophobicContact CD1-CE2 3.66Å; F291-F342 AromaticContact CE1-CD2 3.46Å; F291-F342 HydrophobicContact CE1-CD2 3.46Å; F291-F342 VanDerWaalsContact CE1-CD2 3.46Å; F291-F342 AromaticContact CE1-CE2 3.35Å; F291-F342 HydrophobicContact CE1-CE2 3.35Å; F291-F342 HydrophobicContact CE1-CG 4.3Å; F291-F342 HydrophobicContact CE1-CZ 4.14Å; F291-F342 HydrophobicContact CZ-CE2 4.06Å; I330-F342 HydrophobicContact CD1-CD1 4.31Å; I330-F342 HydrophobicContact CD1-CE1 3.7Å; I330-F342 HydrophobicContact CD1-CZ 3.91Å; I330-F342 HydrophobicContact CG1-CD1 3.77Å; I330-F342 HydrophobicContact CG1-CE1 3.65Å; I330-F342 HydrophobicContact CG1-CG 4.48Å; I330-F342 HydrophobicContact CG1-CZ 4.27Å
343L88Confident78.4Confident76 Ų7671.6 Ų71.640%0.39834%0.342SS..  trans-93-30.1177.2-66.6-177.7000112.4N328 I329 Q331N328-L343 HydrophobicContact CB-CD1 4.4Å; I329-L343 PolarHBondContact O-N 3.43Å; Q331-L343 HydrophobicContact CB-CD1 3.85Å; Q331-L343 HydrophobicContact CB-CD2 4.02Å; Q331-L343 HydrophobicContact CB-CG 3.83Å; Q331-L343 HydrophobicContact CG-CD1 4.49Å
344K78.3Confident76.2Confident71 Ų7175.3 Ų75.331%0.30936%0.362SS..SBendtrans-116.2142.5175.7-74.7178.3179-179.40109.6N328 I349N328-K344 WeakPolarHBondContact O-CD 3.41Å; N328-K344 VanDerWaalsContact O-CG 3.32Å; N328-K344 WeakPolarHBondContact O-CG 3.41Å; K344-I349 HydrophobicContact CB-CD1 4.01Å; K344-I349 HydrophobicContact CB-CG1 3.57Å; K344-I349 HydrophobicContact CD-CG1 4.46Å; K344-I349 WeakPolarHBondContact O-CD1 3.24Å
345L68.8Low73.9Confident14 Ų1468.9 Ų68.97%0.07335%0.346CS..  trans-79.3149.8176.9-148.198.6000111V131 H289 Q347 D348 I349V131-L345 HydrophobicContact CB-CD1 3.78Å; V131-L345 HydrophobicContact CB-CD2 3.56Å; V131-L345 HydrophobicContact CB-CG 3.99Å; V131-L345 HydrophobicContact CG1-CB 3.94Å; V131-L345 HydrophobicContact CG1-CD1 3.41Å; V131-L345 VanDerWaalsContact CG1-CD1 3.41Å; V131-L345 HydrophobicContact CG1-CD2 3.51Å; V131-L345 HydrophobicContact CG1-CG 3.58Å; V131-L345 HydrophobicContact CG2-CD1 3.09Å; V131-L345 HydrophobicContact CG2-CD2 3.3Å; V131-L345 HydrophobicContact CG2-CG 3.56Å; H289-L345 VanDerWaalsContact CE1-CD1 3.49Å; H289-L345 WeakPolarHBondContact CE1-CD1 3.47Å; L345-Q347 HydrophobicContact CD2-CG 3.99Å; L345-Q347 PolarHBondContact O-N 3.18Å; L345-D348 PolarHBondContact O-N 2.98Å; L345-I349 WeakPolarHBondContact O-CG1 3.41Å; L345-I349 PolarHBondContact O-N 2.88Å
346P62.8Low71.7Confident3 Ų370.4 Ų70.42%0.01934%0.337CS..Hα-helixtrans-53.3-16.8-178.6-35.342.1000116.6W265 Y269 R350W265-P346 HydrophobicContact CH2-CB 4.36Å; W265-P346 HydrophobicContact CZ3-CB 3.79Å; W265-P346 HydrophobicContact CZ3-CG 4.1Å; Y269-P346 HydrophobicContact CD1-CG 3.76Å; Y269-P346 HydrophobicContact CD2-CG 3.82Å; Y269-P346 HydrophobicContact CE1-CG 3.84Å; Y269-P346 HydrophobicContact CE2-CG 3.92Å; Y269-P346 HydrophobicContact CG-CG 3.75Å; P346-R350 WeakPolarHBondContact O-CG 3.48Å; P346-R350 PolarHBondContact O-NE 2.72Å
347Q57.4Low69Low28 Ų2870.6 Ų70.613%0.13135%0.348CS..Hα-helixtrans-76.7-42.7175-51.4-47.4-3300111.8R127 R128 L345 R350 K351R127-Q347 PolarHBondContact O-NE2 2.89Å; R128-Q347 HydrophobicContact CB-CG 4.2Å; R128-Q347 VanDerWaalsContact CG-CD 3.49Å; R128-Q347 HydrophobicContact CG-CG 4.28Å; R128-Q347 VanDerWaalsContact CG-NE2 3.34Å; L345-Q347 HydrophobicContact CD2-CG 3.99Å; L345-Q347 PolarHBondContact O-N 3.18Å; Q347-R350 PolarHBondContact O-N 3.46Å; Q347-K351 WeakPolarHBondContact O-CG 3.37Å; Q347-K351 PolarHBondContact O-N 3.19Å
348D61.9Low66.2Low79 Ų7964.3 Ų64.342%0.42234%0.337SS..Hα-helixtrans-75.5-31.4-177.6-55.8-39.9000111.5L345 R350 H352L345-D348 PolarHBondContact O-N 2.98Å; D348-R350 VanDerWaalsContact C-N 3.29Å; D348-R350 PolarHBondContact O-N 3.01Å; D348-H352 PolarHBondContact O-N 2.65Å
349I64Low62.9Low8 Ų867 Ų674%0.04136%0.36CS..Hα-helixtrans-67.7-32.2174.6-53.5158.7000111.2W265 I329 K344 L345W265-I349 HydrophobicContact CD2-CD1 4.24Å; W265-I349 HydrophobicContact CD2-CG2 4Å; W265-I349 VanDerWaalsContact CE2-CG2 3.44Å; W265-I349 HydrophobicContact CE3-CD1 3.76Å; W265-I349 HydrophobicContact CE3-CG2 4.4Å; W265-I349 HydrophobicContact CH2-CB 3.92Å; W265-I349 HydrophobicContact CH2-CD1 4.38Å; W265-I349 HydrophobicContact CH2-CG2 3.87Å; W265-I349 HydrophobicContact CZ2-CB 3.95Å; W265-I349 HydrophobicContact CZ2-CG2 3.37Å; W265-I349 HydrophobicContact CZ3-CB 4.27Å; W265-I349 HydrophobicContact CZ3-CD1 3.86Å; W265-I349 HydrophobicContact CZ3-CG2 4.34Å; I329-I349 HydrophobicContact CD1-CG2 3.89Å; I329-I349 HydrophobicContact CG1-CG1 4.41Å; I329-I349 HydrophobicContact CG1-CG2 4.31Å; I329-I349 HydrophobicContact CG2-CD1 3.6Å; I329-I349 HydrophobicContact CG2-CG1 4.17Å; I329-I349 HydrophobicContact CG2-CG2 4.48Å; K344-I349 HydrophobicContact CB-CD1 4.01Å; K344-I349 HydrophobicContact CB-CG1 3.57Å; K344-I349 HydrophobicContact CD-CG1 4.46Å; K344-I349 WeakPolarHBondContact O-CD1 3.24Å; L345-I349 WeakPolarHBondContact O-CG1 3.41Å; L345-I349 PolarHBondContact O-N 2.88Å
350R63.6Low60.4Low104 Ų10471.7 Ų71.739%0.39239%0.391SS..Hα-helixtrans-77.9-36.3178.6-83.2-176.4-77.2-178.3-11.7113.2W265 P346 Q347 D348 Q353W265-R350 HydrophobicContact CH2-CG 4.08Å; W265-R350 HydrophobicContact CZ2-CG 4.44Å; P346-R350 WeakPolarHBondContact O-CG 3.48Å; P346-R350 PolarHBondContact O-NE 2.72Å; Q347-R350 PolarHBondContact O-N 3.46Å; D348-R350 VanDerWaalsContact C-N 3.29Å; D348-R350 PolarHBondContact O-N 3.01Å; R350-Q353 PolarHBondContact O-N 3.36Å
351K54Low57.5Low125 Ų12578.8 Ų78.854%0.54343%0.429SS..Hα-helixtrans-62.7-48.5178.5-70.2170.2-176.5175.70111.7Q347 Q353 I354 D355Q347-K351 WeakPolarHBondContact O-CG 3.37Å; Q347-K351 PolarHBondContact O-N 3.19Å; K351-Q353 VanDerWaalsContact C-N 3.25Å; K351-Q353 PolarHBondContact O-N 3.41Å; K351-I354 PolarHBondContact O-N 3.42Å; K351-D355 PolarHBondContact O-N 2.79Å
352H53.1Low54.9Low116 Ų11684.5 Ų84.554%0.53746%0.458SS..Hα-helixtrans-64.2-23.5179.2-105.111.6000115.3D348 I354 D355 T356D348-H352 PolarHBondContact O-N 2.65Å; H352-I354 VanDerWaalsContact C-N 3.31Å; H352-D355 IonicContact ND1-OD2 3.89Å; H352-T356 PolarHBondContact O-N 3.28Å; H352-T356 PolarHBondContact O-OG1 2.84Å
353Q52.3Low52.4Low99 Ų9989.5 Ų89.546%0.46349%0.489SS..Hα-helixtrans-73.4-24.4174.1-88.3-173.972.100113.1R350 K351 S357R350-Q353 PolarHBondContact O-N 3.36Å; K351-Q353 VanDerWaalsContact C-N 3.25Å; K351-Q353 PolarHBondContact O-N 3.41Å; Q353-S357 PolarHBondContact O-OG 3.27Å
354I49.5Very low50.3Low116 Ų11690.9 Ų90.960%0.59550%0.503SS*.Hα-helixtrans-78.4-43.9177.6-61.2167000109K351 H352 T356 S357 G358K351-I354 PolarHBondContact O-N 3.42Å; H352-I354 VanDerWaalsContact C-N 3.31Å; I354-T356 VanDerWaalsContact C-N 3.31Å; I354-T356 PolarHBondContact O-N 3.48Å; I354-S357 PolarHBondContact O-N 3.12Å; I354-S357 VanDerWaalsContact O-N 3.12Å; I354-S357 PolarHBondContact O-OG 3.49Å; I354-G358 PolarHBondContact O-N 3.35Å
355D42.8Very low48.5Very low107 Ų10793.8 Ų93.857%0.57253%0.529SS*.Hα-helixtrans-67.1-30-178.7-52.6-31.1000112.9K351 H352 S357K351-D355 PolarHBondContact O-N 2.79Å; H352-D355 IonicContact ND1-OD2 3.89Å; D355-S357 VanDerWaalsContact C-N 3.28Å; D355-S357 PolarHBondContact O-N 3.44Å
356T43.8Very low47.1Very low122 Ų122101 Ų10175%0.74856%0.562SS**THydrogen-bonded Turntrans-78-13.1177.6-480000112.6H352 I354H352-T356 PolarHBondContact O-N 3.28Å; H352-T356 PolarHBondContact O-OG1 2.84Å; I354-T356 VanDerWaalsContact C-N 3.31Å; I354-T356 PolarHBondContact O-N 3.48Å
357S36.3Very low45.8Very low97 Ų97107.7 Ų107.768%0.67860%0.598SS**THydrogen-bonded Turntrans-100.2-3.5178.264.10000114.3Q353 I354 D355Q353-S357 PolarHBondContact O-OG 3.27Å; I354-S357 PolarHBondContact O-N 3.12Å; I354-S357 VanDerWaalsContact O-N 3.12Å; I354-S357 PolarHBondContact O-OG 3.49Å; D355-S357 VanDerWaalsContact C-N 3.28Å; D355-S357 PolarHBondContact O-N 3.44Å
358G34.5Very low45.2Very low56 Ų56113.7 Ų113.758%0.57764%0.636SS**  trans-107.168.117400000111.4I354I354-G358 PolarHBondContact O-N 3.35Å
359S27.6Very low44.1Very low104 Ų104117 Ų11773%0.72765%0.654SS**  trans-82.4119.7161.5-170.50000107.6
360P43.8Very low42.6Very low105 Ų105125.7 Ų125.768%0.68269%0.691SS**  trans-71.7145.9166.130.9-29.5000108.9H362P360-H362 PolarHBondContact O-N 2.98Å
361D36.3Very low41.4Very low152 Ų152124.7 Ų124.781%0.81371%0.706SS**  trans-41.1120171.3-86.8-62.4000112.4T363D361-T363 PolarHBondContact O-N 3.04Å
362H39.3Very low40.2Very low184 Ų184126.1 Ų126.185%0.85272%0.719SS**  trans-89.891.1155-90.8-74.6000107.8P360P360-H362 PolarHBondContact O-N 2.98Å
363T42.6Very low39.4Very low114 Ų114125.4 Ų125.470%0.69973%0.727SS**  trans-72.9125.4162.5-44.90000108.3D361D361-T363 PolarHBondContact O-N 3.04Å
364P43.3Very low38.9Very low105 Ų105126.1 Ų126.168%0.68274%0.743SS**  trans-76.3134.2173.330.1-29.4000109.4
365P41.3Very low38.8Very low132 Ų132125.8 Ų125.886%0.85775%0.748SS**  trans-85.3115.4164.423.1-12.2000109
366Q38.3Very low38.3Very low165 Ų165128 Ų12877%0.77176%0.759SS**  trans-89.9140.1161.5-82.8-171.4-33.800110.1
367D36.9Very low37.9Very low143 Ų143131.3 Ų131.377%0.76577%0.766SS**  trans76.3100.8153.1-51.3-33.2000120
368V44.8Very low37.8Very low154 Ų154133.1 Ų133.193%0.93377%0.769SS**  -136138.8126.9-71.60000110.2
369D37.7Very low37.8Very low149 Ų149137.9 Ų137.980%0.79778%0.78SS**  trans-83.8172.4-164.2-137.5-61.6000113.7
370F32.9Very low38.2Very low190 Ų190138.1 Ų138.183%0.83378%0.781SS**  trans91.3105.4162.3-93.8-106.9000122.8
371A37.7Very low38Very low84 Ų84140.2 Ų140.269%0.69479%0.787SS**  99.2111.5118.900000121.9
372D30.6Very low38.4Very low155 Ų155140.6 Ų140.683%0.82979%0.789SS**  102.1140.9126.2-156.728.6000119.8
373S35Very low38.5Very low100 Ų100137.5 Ų137.570%0.69978%0.775SS**  trans91.896.9167.3-54.90000119
374S41.8Very low38.2Very low114 Ų114141.9 Ų141.980%0.79779%0.785SS**  trans-75.9168.6136.5-68.60000109.1
375P47.4Very low38.2Very low109 Ų109143.4 Ų143.471%0.70878%0.783SS**  cis-149.1173.426.440.6-18.4000118.8
376L33.2Very low38.1Very low154 Ų154143.6 Ų143.681%0.80678%0.781SS**  trans64.7122.6147.2-76.9169000122.2
377Q35.6Very low38.4Very low191 Ų191140.3 Ų140.389%0.89378%0.776SS**  -17895129.6-98.2168-0.700106.6
378D33.3Very low39.2Very low136 Ų136139.3 Ų139.373%0.72778%0.778SS**  48.5110.191.3-158.541.1000113.1
379L35.2Very low39.1Very low156 Ų156139.4 Ų139.482%0.81777%0.773SS**  trans176.8109.1135.7-91.3162000112.2
380S36Very low39.1Very low108 Ų108143.4 Ų143.476%0.75578%0.777SS**  trans63.3104.2145.159.80000121.7
381D39.2Very low39.4Very low149 Ų149138.4 Ų138.480%0.79777%0.77SS**  trans-39.4130.4140.3-139.1-92.1000113.2
382D43.9Very low39.8Very low160 Ų160140 Ų14086%0.85678%0.776SS**  trans-149.7135.3143.6-139.2-65.6000110.5
383H42.8Very low40.8Very low120 Ų120138.9 Ų138.956%0.55678%0.777SS**  trans-105.6122.4-155.5165.1-73.5000109.1E385H383-E385 IonicContact CE1-OE2 3.82Å
384F35.6Very low41.7Very low206 Ų206143 Ų14390%0.90479%0.786SS**  trans-132.294.9163.8-117.9-89.4000111.5
385E43.1Very low42.4Very low137 Ų137142.6 Ų142.664%0.6478%0.78SS**  trans-67.3128.1163.9-162.4-167.4140.200109.4H383H383-E385 IonicContact CE1-OE2 3.82Å
386V39.6Very low42.8Very low135 Ų135143.2 Ų143.282%0.81879%0.785SS**  trans-121.4107.7168.169.40000109.5
387S43.6Very low43.8Very low97 Ų97141.2 Ų141.268%0.67878%0.781SS**  trans-65.7143.3168.9-83.60000111.4
388P54.1Low44.4Very low122 Ų122138.6 Ų138.679%0.79278%0.778SS**  trans-97.8131.8163.334.7-24.9000110.2
389D42.8Very low45.1Very low156 Ų156136.1 Ų136.183%0.83478%0.784SS**  158.6131.5127.3-145.6-84.4000109.7
390R37.2Very low46Very low233 Ų233133.3 Ų133.388%0.87978%0.784SS**  166128.8124-175.5158176.6177.8-1.2114.2
391A39.4Very low47.1Very low84 Ų84134 Ų13469%0.69479%0.786SS**  trans88.6111.1145.500000121.3
392S46.3Very low47.7Very low117 Ų117134 Ų13482%0.81879%0.791SS**PPolyproline II helixtrans-53.7152.1157.2-58.60000114.6
393P52.8Low48Very low132 Ų132133.4 Ų133.486%0.85782%0.823SS**PPolyproline II helixtrans-91.8135.7166.433.1-28.1000112.2
394Q53.7Low48.3Very low186 Ų186134.1 Ų134.187%0.86984%0.836SS**PPolyproline II helixtrans-101.6141.6173.1-160.31801.700109.7
395P55.5Low48.9Very low106 Ų106130.3 Ų130.369%0.68883%0.832SS**PPolyproline II helixtrans-88.7155.7178.934.6-32.8000112.5
396P55.8Low49.2Very low123 Ų123129.9 Ų129.980%0.79984%0.843SS**PPolyproline II helixtrans-86.1156.2175.836-31.8000110.7
397P53.7Low49.8Very low112 Ų112129.6 Ų129.673%0.72785%0.845SS**  -152158.1122.139.2-22.1000117.1
398T49.8Very low50.2Low136 Ų136131.7 Ų131.783%0.83486%0.855SS**  trans63.5109.4144.634.50000121.8
399G47.7Very low49.9Very low83 Ų83132.3 Ų132.386%0.85686%0.859SS**  79.5114.6110.800000118.2
400A53.3Low50.5Low98 Ų98130.6 Ų130.681%0.8186%0.861SS**  trans-134.7146.315600000109.8
401P58.5Low51.5Low123 Ų123122.8 Ų122.880%0.79986%0.86SS**  trans-91.5167-172.537.1-34000113.7
402V52.6Low52.5Low148 Ų148126 Ų12690%0.89787%0.873SS**  trans-22.4134.9163.8-171.10000116.4
403G50Low53Low148 Ų148126.8 Ų126.8100%1.52688%0.878SS**  trans-164.50160.500000110

Retrieved 403 of 403 residues in 110.7 ms (Link to these results)