A0A096NJU9_PAPAN Loading...

Potassium channel tetramerization domain containing 17

AlphaFold DB (A0A2K5MDG0), UniProt , Accession A0A096NJU9, Species PAPAN (Papio anubis, Olive baboon), Gene KCTD17, Length 321 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
1M37.3Very low43.9Very low225 Ų225174.8 Ų174.8100%1.10888%0.883SS**  0127.20-70.7-169.817800108.1
2Q41.2Very low43.6Very low177 Ų177166.7 Ų166.783%0.82786%0.863SS**  trans59111.5149.4-69.7150.147.200120.2
3T46Very low43.3Very low134 Ų134160.5 Ų160.582%0.82287%0.865SS**  trans-63.3156.3141.451.40000110.6
4P53.7Low43Very low124 Ų124163.1 Ų163.181%0.80587%0.869SS**  -145.6155.999.933.1-14.7000115.9
5R42.4Very low42.9Very low238 Ų238158.9 Ų158.990%0.89887%0.866SS**  trans-93.9-175.9154.8-87.3-175.7170.7-170.5-2.1108.3
6P55.9Low43.2Very low122 Ų122154.7 Ų154.779%0.79286%0.86SS**  cis-132.9175.4-27.628.8-7.9000112.8
7A42.3Very low43.7Very low105 Ų105152.6 Ų152.687%0.86885%0.854SS**  trans-156.2139.1152.800000112.8
8M38.7Very low44Very low191 Ų191151.2 Ų151.294%0.94185%0.853SS**  trans-70.2160.9-176-60.8154.8126.300113.8
9R41.5Very low44.3Very low249 Ų249149.1 Ų149.194%0.9486%0.857SS**  166.9136109.9-167.9164.5-176.9158.50.2112.8
10M42.6Very low44Very low172 Ų172145.3 Ų145.385%0.84785%0.851SS**  trans-84.7175.6177.4-72.3167.1153.300113.6
11E41.6Very low43.8Very low186 Ų186143.1 Ų143.187%0.86985%0.85SS**  trans86144.7157.1-73.8-110.7110.300117.6
12A39.8Very low44.2Very low77 Ų77136.9 Ų136.964%0.63684%0.843SS**  cis-175140.5-18.100000104.9
13G39.5Very low43.9Very low87 Ų87131.5 Ų131.590%0.89784%0.836SS**  trans-11696.4177.700000109.7
14E39.2Very low43.8Very low196 Ų196137.3 Ų137.392%0.91684%0.842SS**  trans-112114.2172.4-170.4145.1107.500109.4
15A42.3Very low43.2Very low100 Ų100135.5 Ų135.583%0.82684%0.838SS**PPolyproline II helixtrans-97.8119.8174.200000109.1
16A46.7Very low43.4Very low92 Ų92129.1 Ų129.176%0.7684%0.836SS**PPolyproline II helixtrans-66.6149.6178.700000113.2
17P52Low42.8Very low119 Ų119126.1 Ų126.177%0.77383%0.828SS**PPolyproline II helixtrans-82.4153167.333.5-31.2000111.5
18P50Low42.9Very low128 Ų128124.3 Ų124.383%0.83182%0.819SS**PPolyproline II helixtrans-77.1139.3-17330.3-33.2000112.7G20P18-G20 PolarHBondContact O-N 3.43Å
19A48.7Very low43.7Very low111 Ų111125 Ų12592%0.91781%0.811SS**  trans-61.2113.4171.100000111.2
20G37.8Very low45Very low73 Ų73115.1 Ų115.175%0.75379%0.787SS**  trans-109.6113.1171.500000111.1P18P18-G20 PolarHBondContact O-N 3.43Å
21A41.5Very low47.1Very low99 Ų99113.6 Ų113.682%0.81878%0.776SS**  trans22.7117.9153.400000119.1G23A21-G23 PolarHBondContact O-N 3.33Å
22G45.6Very low49.5Very low94 Ų94112.1 Ų112.197%0.96976%0.762SS**  trans-56106.7165.400000112.6
23G33.6Very low52Low65 Ų65108.7 Ų108.767%0.6773%0.733SS**  trans-124.195.8146.800000105.9A21 A25A21-G23 PolarHBondContact O-N 3.33Å; G23-A25 PolarHBondContact O-N 3.4Å
24R44.1Very low54.6Low255 Ų255109.4 Ų109.496%0.96271%0.709SS**  trans-63.787.4158.9-86.5-177.5152.4-176.7-6.2105.6A26R24-A26 PolarHBondContact O-N 3.24Å
25A41.6Very low57.2Low86 Ų86100.1 Ų100.171%0.71167%0.665SS**  trans-50.2117.6158.500000104.9G23 G27G23-A25 PolarHBondContact O-N 3.4Å; A25-G27 PolarHBondContact O-N 3.22Å
26A47Very low59.8Low104 Ų10496.5 Ų96.586%0.8663%0.632SS**  trans-58.680.7157.900000106.1R24 G28R24-A26 PolarHBondContact O-N 3.24Å; A26-G28 PolarHBondContact O-N 3.29Å
27G41.8Very low62.2Low60 Ų6092.1 Ų92.162%0.61960%0.596SS**  trans-74.195-175.400000107.1A25 W29A25-G27 PolarHBondContact O-N 3.22Å; G27-W29 PolarHBondContact O-N 3.2Å
28G45.2Very low64.2Low66 Ų6688.5 Ų88.568%0.6858%0.581SS**  trans-43.1131.7169.100000109A26 G30A26-G28 PolarHBondContact O-N 3.29Å; G28-G30 PolarHBondContact O-N 3.2Å
29W56.3Low66.3Low205 Ų20585.4 Ų85.478%0.77757%0.572SS**  trans-46.6111.4-177-57.5-27.1000109.2G27 K31G27-W29 PolarHBondContact O-N 3.2Å; W29-K31 PolarHBondContact O-N 3.36Å
30G68.3Low68.7Low42 Ų4283.2 Ų83.243%0.43355%0.547SS..  trans-51.5135-171.700000110.6G28 W32 R46G28-G30 PolarHBondContact O-N 3.2Å; G30-W32 PolarHBondContact O-N 3.27Å; G30-R46 PolarHBondContact O-NE 3.48Å
31K87.4Confident71.5Confident140 Ų14083 Ų8361%0.60953%0.531SS*.SBendtrans-51.2-37.2175.8174.6-177.8175.8-178.30111.3W29 T45 R46W29-K31 PolarHBondContact O-N 3.36Å; K31-T45 HydrophobicContact CG-CG2 4.25Å; K31-T45 CarbonylContact O-C 3.55Å; K31-T45 WeakPolarHBondContact O-CA 3.28Å; K31-T45 WeakPolarHBondContact O-CB 3.44Å; K31-R46 PolarHBondContact O-N 3.09Å
32W91.9Very high74.1Confident155 Ų15580.3 Ų80.359%0.58750%0.501SS*.EExtended strand (participates in β ladder)trans-88.4141.1-179.6-65.7101.3000111.8G30 L43 T44 T45G30-W32 PolarHBondContact O-N 3.27Å; W32-L43 HydrophobicContact CB-CD1 4.38Å; W32-L43 HydrophobicContact CE3-CD1 4.28Å; W32-L43 HydrophobicContact CE3-CD2 4.23Å; W32-L43 HydrophobicContact CE3-CG 3.89Å; W32-L43 HydrophobicContact CZ3-CD2 4.47Å; W32-L43 HydrophobicContact CZ3-CG 4.29Å; W32-T44 CarbonylContact C-O 3.52Å; W32-T44 WeakPolarHBondContact CA-O 2.93Å; W32-T45 HydrophobicContact CD2-CG2 4.22Å; W32-T45 HydrophobicContact CE3-CG2 3.92Å; W32-T45 HydrophobicContact CH2-CG2 4.23Å; W32-T45 HydrophobicContact CZ3-CG2 3.93Å
33V91.7Very high76.5Confident5 Ų580.2 Ų80.23%0.0348%0.478CS..EExtended strand (participates in β ladder)trans-129.8134.2-179.8179.80000108.5L35 T44 R46 L49 Y76V33-L35 HydrophobicContact CG1-CD2 3.91Å; V33-L35 HydrophobicContact CG1-CG 4.45Å; V33-T44 PolarHBondContact N-O 3.07Å; V33-T44 PolarHBondContact O-N 3.23Å; V33-R46 HydrophobicContact CG2-CB 4.34Å; V33-R46 HydrophobicContact CG2-CG 3.32Å; V33-L49 HydrophobicContact CB-CD1 4.18Å; V33-L49 HydrophobicContact CG1-CD1 3.9Å; V33-L49 HydrophobicContact CG2-CD1 4.44Å; V33-Y76 HydrophobicContact CG1-CD2 3.68Å; V33-Y76 HydrophobicContact CG1-CE2 3.66Å
34R93.5Very high79.4Confident103 Ų10377.3 Ų77.339%0.38945%0.447SS..EExtended strand (participates in β ladder)trans-101.9131.9172.8-63.7176.770.1178.30.1108.8F42 L43 T73 A75 Y76R34-F42 WeakPolarHBondContact CA-O 3.27Å; R34-L43 HydrophobicContact CG-CD1 3.66Å; R34-T73 PolarHBondContact NH1-OG1 3.09Å; R34-A75 HydrophobicContact CB-CB 3.58Å; R34-A75 WeakPolarHBondContact O-CA 3.21Å; R34-Y76 PolarHBondContact O-N 3.49Å
35L95.1Very high81.8Confident0 Ų066 Ų660%041%0.406CS..EExtended strand (participates in β ladder)trans-118.3130.5174.2-55.1177.2000107.3V33 V37 V41 F42 T44 L49 L57 Y76 I78 F85V33-L35 HydrophobicContact CG1-CD2 3.91Å; V33-L35 HydrophobicContact CG1-CG 4.45Å; L35-V37 HydrophobicContact CB-CG2 4.3Å; L35-V41 CarbonylContact O-C 3.59Å; L35-V41 VanDerWaalsContact O-CA 3.31Å; L35-V41 WeakPolarHBondContact O-CA 3.4Å; L35-F42 HydrophobicContact CB-CB 4.39Å; L35-F42 PolarHBondContact N-O 3.45Å; L35-F42 PolarHBondContact O-N 3.5Å; L35-T44 HydrophobicContact CD1-CG2 4.39Å; L35-L49 HydrophobicContact CD1-CD1 4.35Å; L35-L49 HydrophobicContact CD1-CD2 3.98Å; L35-L49 HydrophobicContact CD2-CD1 4.28Å; L35-L57 HydrophobicContact CD1-CD2 4.33Å; L35-Y76 HydrophobicContact CD2-CD2 4.07Å; L35-Y76 HydrophobicContact CD2-CG 4.36Å; L35-I78 HydrophobicContact CD2-CD1 4.41Å; L35-F85 HydrophobicContact CD1-CE1 4.06Å; L35-F85 HydrophobicContact CD1-CZ 3.67Å
36N95.9Very high84.2Confident24 Ų2464.4 Ų64.413%0.12838%0.382CS..EExtended strand (participates in β ladder)trans-107.4101.2172.1-174-13.8000107.6G39 T40 V41 A75 Y76 L77 I78N36-G39 WeakPolarHBondContact OD1-CA 3.43Å; N36-G39 PolarHBondContact OD1-N 3.06Å; N36-G39 VanDerWaalsContact OD1-N 3.15Å; N36-T40 WeakPolarHBondContact CA-O 3.46Å; N36-T40 PolarHBondContact OD1-N 3.05Å; N36-V41 HydrophobicContact CB-CG2 4.49Å; N36-A75 HydrophobicContact CB-CB 4.17Å; N36-Y76 PolarHBondContact N-O 3.44Å; N36-L77 HydrophobicContact CB-CD2 4.17Å; N36-L77 CarbonylContact O-C 3.42Å; N36-L77 WeakPolarHBondContact O-CA 3.17Å; N36-I78 PolarHBondContact O-N 3.23Å
37V96.7Very high86.4Confident0 Ų067.1 Ų67.10%038%0.377CS..EExtended strand (participates in β ladder)trans-103.4110.4-176.4-173.80000108L35 G39 T40 F42 I78 R80 P82 F85L35-V37 HydrophobicContact CB-CG2 4.3Å; V37-G39 PolarHBondContact O-N 3.42Å; V37-T40 PolarHBondContact N-O 3.49Å; V37-T40 PolarHBondContact O-N 3.44Å; V37-F42 HydrophobicContact CB-CD2 4.13Å; V37-F42 HydrophobicContact CB-CE2 3.94Å; V37-F42 HydrophobicContact CG2-CD2 3.87Å; V37-F42 HydrophobicContact CG2-CE2 4.14Å; V37-I78 CarbonylContact C-O 3.58Å; V37-I78 WeakPolarHBondContact CA-O 3.42Å; V37-I78 HydrophobicContact CG1-CB 4.49Å; V37-I78 HydrophobicContact CG1-CG2 4.34Å; V37-I78 HydrophobicContact CG2-CB 4.2Å; V37-I78 HydrophobicContact CG2-CD1 4.1Å; V37-R80 HydrophobicContact CG1-CB 4.06Å; V37-R80 WeakPolarHBondContact CG1-O 3.47Å; V37-P82 WeakPolarHBondContact O-CB 3.47Å; V37-F85 HydrophobicContact CG1-CB 4.23Å; V37-F85 HydrophobicContact CG1-CG 4.3Å; V37-F85 HydrophobicContact CG2-CD1 3.82Å; V37-F85 HydrophobicContact CG2-CD2 4.39Å; V37-F85 HydrophobicContact CG2-CE1 3.9Å; V37-F85 HydrophobicContact CG2-CE2 4.47Å; V37-F85 HydrophobicContact CG2-CG 4.07Å; V37-F85 HydrophobicContact CG2-CZ 4.24Å
38G95.1Very high88.9Confident44 Ų4465.2 Ų65.245%0.45435%0.353SS..THydrogen-bonded Turntrans5330.9179.600000114.4I78 R80G38-I78 PolarHBondContact N-O 3.06Å; G38-R80 WeakPolarHBondContact CA-O 3.13Å; G38-R80 PolarHBondContact N-O 3.06Å; G38-R80 VanDerWaalsContact N-O 3.17Å
39G94.4Very high91.2Very high62 Ų6262.1 Ų62.164%0.63932%0.321SS*.THydrogen-bonded Turntrans95.4-7.3-177.800000115.6N36 V37N36-G39 WeakPolarHBondContact OD1-CA 3.43Å; N36-G39 PolarHBondContact OD1-N 3.06Å; N36-G39 VanDerWaalsContact OD1-N 3.15Å; V37-G39 PolarHBondContact O-N 3.42Å
40T97.3Very high92.9Very high65 Ų6554 Ų5440%0.39930%0.295SS..EExtended strand (participates in β ladder)trans-101.2128.9176.6-580000111.3N36 V37 F42 P82N36-T40 WeakPolarHBondContact CA-O 3.46Å; N36-T40 PolarHBondContact OD1-N 3.05Å; V37-T40 PolarHBondContact N-O 3.49Å; V37-T40 PolarHBondContact O-N 3.44Å; T40-F42 HydrophobicContact CG2-CD2 4.36Å; T40-F42 HydrophobicContact CG2-CE2 3.68Å; T40-F42 HydrophobicContact CG2-CZ 3.9Å; T40-F42 WeakPolarHBondContact O-CD2 3.44Å; T40-P82 HydrophobicContact CG2-CB 4.27Å; T40-P82 WeakPolarHBondContact OG1-CB 3.27Å; T40-P82 WeakPolarHBondContact OG1-CG 3.49Å
41V96.8Very high94.1Very high70 Ų7058.1 Ų58.142%0.42430%0.298SS..EExtended strand (participates in β ladder)trans-90122-177.9-178.40000111.5L35 N36L35-V41 CarbonylContact O-C 3.59Å; L35-V41 VanDerWaalsContact O-CA 3.31Å; L35-V41 WeakPolarHBondContact O-CA 3.4Å; N36-V41 HydrophobicContact CB-CG2 4.49Å
42F97.1Very high94.3Very high41 Ų4153.5 Ų53.518%0.1828%0.278CS..EExtended strand (participates in β ladder)trans-107.3137171.7-62.8-94.5000110.4R34 L35 V37 T40 P82 F85 L89R34-F42 WeakPolarHBondContact CA-O 3.27Å; L35-F42 HydrophobicContact CB-CB 4.39Å; L35-F42 PolarHBondContact N-O 3.45Å; L35-F42 PolarHBondContact O-N 3.5Å; V37-F42 HydrophobicContact CB-CD2 4.13Å; V37-F42 HydrophobicContact CB-CE2 3.94Å; V37-F42 HydrophobicContact CG2-CD2 3.87Å; V37-F42 HydrophobicContact CG2-CE2 4.14Å; T40-F42 HydrophobicContact CG2-CD2 4.36Å; T40-F42 HydrophobicContact CG2-CE2 3.68Å; T40-F42 HydrophobicContact CG2-CZ 3.9Å; T40-F42 WeakPolarHBondContact O-CD2 3.44Å; F42-P82 HydrophobicContact CE2-CB 3.96Å; F42-P82 HydrophobicContact CZ-CB 4.15Å; F42-F85 HydrophobicContact CB-CD1 4.48Å; F42-F85 HydrophobicContact CB-CE1 4.06Å; F42-F85 AromaticContact CD1-CD1 3.83Å; F42-F85 HydrophobicContact CD1-CD1 3.83Å; F42-F85 HydrophobicContact CD1-CE1 4.15Å; F42-F85 AromaticContact CD2-CD1 3.61Å; F42-F85 HydrophobicContact CD2-CD1 3.61Å; F42-F85 AromaticContact CD2-CE1 3.94Å; F42-F85 HydrophobicContact CD2-CE1 3.94Å; F42-F85 AromaticContact CE1-CD1 3.88Å; F42-F85 HydrophobicContact CE1-CD1 3.88Å; F42-F85 HydrophobicContact CE2-CB 4.48Å; F42-F85 AromaticContact CE2-CD1 3.68Å; F42-F85 HydrophobicContact CE2-CD1 3.68Å; F42-F85 HydrophobicContact CE2-CE1 4.45Å; F42-F85 HydrophobicContact CE2-CG 4.48Å; F42-F85 AromaticContact CG-CD1 3.7Å; F42-F85 HydrophobicContact CG-CD1 3.7Å; F42-F85 AromaticContact CG-CE1 3.77Å; F42-F85 HydrophobicContact CG-CE1 3.77Å; F42-F85 HydrophobicContact CZ-CB 4.29Å; F42-F85 AromaticContact CZ-CD1 3.8Å; F42-F85 HydrophobicContact CZ-CD1 3.8Å; F42-L89 HydrophobicContact CB-CD2 4.12Å; F42-L89 HydrophobicContact CD1-CD2 4.05Å; F42-L89 HydrophobicContact CG-CD2 4.45Å
43L95.5Very high94.2Very high93 Ų9351.8 Ų51.849%0.48728%0.277SS..EExtended strand (participates in β ladder)trans-111.2128.6175.6-173.168.9000110.1W32 R34 R93W32-L43 HydrophobicContact CB-CD1 4.38Å; W32-L43 HydrophobicContact CE3-CD1 4.28Å; W32-L43 HydrophobicContact CE3-CD2 4.23Å; W32-L43 HydrophobicContact CE3-CG 3.89Å; W32-L43 HydrophobicContact CZ3-CD2 4.47Å; W32-L43 HydrophobicContact CZ3-CG 4.29Å; R34-L43 HydrophobicContact CG-CD1 3.66Å; L43-R93 PolarHBondContact O-NH2 2.96Å
44T95.6Very high94Very high3 Ų359.4 Ų59.42%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-152.1-175.9180-165.60000111.2W32 V33 L35 T48 L49 L89W32-T44 CarbonylContact C-O 3.52Å; W32-T44 WeakPolarHBondContact CA-O 2.93Å; V33-T44 PolarHBondContact N-O 3.07Å; V33-T44 PolarHBondContact O-N 3.23Å; L35-T44 HydrophobicContact CD1-CG2 4.39Å; T44-T48 WeakPolarHBondContact OG1-CB 3.3Å; T44-L49 HydrophobicContact CG2-CD1 4.05Å; T44-L49 HydrophobicContact CG2-CD2 3.8Å; T44-L49 HydrophobicContact CG2-CG 3.86Å; T44-L89 HydrophobicContact CG2-CD1 4.11Å
45T94.2Very high93.9Very high18 Ų1854.5 Ų54.511%0.1129%0.291CS..EExtended strand (participates in β ladder)trans-106.6154.4176.670.70000111.5K31 W32 Q47 T48 L49K31-T45 HydrophobicContact CG-CG2 4.25Å; K31-T45 CarbonylContact O-C 3.55Å; K31-T45 WeakPolarHBondContact O-CA 3.28Å; K31-T45 WeakPolarHBondContact O-CB 3.44Å; W32-T45 HydrophobicContact CD2-CG2 4.22Å; W32-T45 HydrophobicContact CE3-CG2 3.92Å; W32-T45 HydrophobicContact CH2-CG2 4.23Å; W32-T45 HydrophobicContact CZ3-CG2 3.93Å; T45-Q47 PolarHBondContact O-N 3.17Å; T45-T48 WeakPolarHBondContact O-CB 3.4Å; T45-T48 PolarHBondContact O-N 3.41Å; T45-T48 VanDerWaalsContact O-N 3.11Å; T45-T48 PolarHBondContact OG1-N 3.08Å; T45-T48 PolarHBondContact OG1-OG1 3.15Å; T45-L49 PolarHBondContact O-N 3.48Å
46R91.1Very high93.8Very high52 Ų5256.5 Ų56.520%0.19630%0.3CS..Hα-helixtrans-53.8-43.5172.5-69.6-176.1-176.7-88-8.9111.3G30 K31 V33 T48 L49 C50 C61G30-R46 PolarHBondContact O-NE 3.48Å; K31-R46 PolarHBondContact O-N 3.09Å; V33-R46 HydrophobicContact CG2-CB 4.34Å; V33-R46 HydrophobicContact CG2-CG 3.32Å; R46-T48 PolarHBondContact O-N 3.29Å; R46-L49 PolarHBondContact O-N 3.1Å; R46-C50 PolarHBondContact O-N 3.05Å; R46-C50 PolarHBondContact O-SG 3.45Å; R46-C61 PolarHBondContact NH1-O 3.29Å
47Q92.8Very high93.6Very high161 Ų16155.4 Ų55.475%0.75229%0.294SS*.Hα-helixtrans-54.9-40.3179-175.6-179.1-0.700112.6T45 R51T45-Q47 PolarHBondContact O-N 3.17Å; Q47-R51 PolarHBondContact O-N 3.12Å
48T95.2Very high93.3Very high21 Ų2155.4 Ų55.413%0.12929%0.294CS..Hα-helixtrans-63.7-44.6176.7-53.80000111.6T44 T45 R46 R51 L89 L92 R93T44-T48 WeakPolarHBondContact OG1-CB 3.3Å; T45-T48 WeakPolarHBondContact O-CB 3.4Å; T45-T48 PolarHBondContact O-N 3.41Å; T45-T48 VanDerWaalsContact O-N 3.11Å; T45-T48 PolarHBondContact OG1-N 3.08Å; T45-T48 PolarHBondContact OG1-OG1 3.15Å; R46-T48 PolarHBondContact O-N 3.29Å; T48-R51 WeakPolarHBondContact O-CB 3.48Å; T48-R51 PolarHBondContact O-N 2.83Å; T48-L89 HydrophobicContact CG2-CD1 4.28Å; T48-L92 HydrophobicContact CG2-CB 3.8Å; T48-R93 HydrophobicContact CG2-CB 4.49Å; T48-R93 HydrophobicContact CG2-CG 3.66Å
49L93.7Very high92.9Very high0 Ų057.7 Ų57.70%029%0.289CS..Hα-helixtrans-70.3-33-178.4-59.5-179.7000112.6V33 L35 T44 T45 R46 R51 L57 S58 C61 L89V33-L49 HydrophobicContact CB-CD1 4.18Å; V33-L49 HydrophobicContact CG1-CD1 3.9Å; V33-L49 HydrophobicContact CG2-CD1 4.44Å; L35-L49 HydrophobicContact CD1-CD1 4.35Å; L35-L49 HydrophobicContact CD1-CD2 3.98Å; L35-L49 HydrophobicContact CD2-CD1 4.28Å; T44-L49 HydrophobicContact CG2-CD1 4.05Å; T44-L49 HydrophobicContact CG2-CD2 3.8Å; T44-L49 HydrophobicContact CG2-CG 3.86Å; T45-L49 PolarHBondContact O-N 3.48Å; R46-L49 PolarHBondContact O-N 3.1Å; L49-R51 PolarHBondContact O-N 2.93Å; L49-L57 HydrophobicContact CB-CB 4.35Å; L49-L57 HydrophobicContact CD2-CB 4.09Å; L49-L57 HydrophobicContact CD2-CD1 4.23Å; L49-L57 HydrophobicContact CD2-CD2 4.43Å; L49-L57 HydrophobicContact CD2-CG 4.48Å; L49-S58 WeakPolarHBondContact O-CA 3.4Å; L49-S58 PolarHBondContact O-N 3.46Å; L49-C61 HydrophobicContact CB-CB 4.05Å; L49-L89 HydrophobicContact CD2-CD1 4.36Å
50C92.1Very high92.4Very high34 Ų3455 Ų5523%0.2326%0.259CS..THydrogen-bonded Turntrans-82.68.2178.3-41.70000113.5R46 E52 C61R46-C50 PolarHBondContact O-N 3.05Å; R46-C50 PolarHBondContact O-SG 3.45Å; C50-E52 VanDerWaalsContact C-N 3.35Å; C50-C61 WeakPolarHBondContact CB-SG 3.43Å; C50-C61 WeakPolarHBondContact SG-CB 3.25Å; C50-C61 CovalentContact SG-SG 2.04Å; C50-C61 PolarHBondContact SG-SG 2.89Å
51R92.4Very high91.4Very high130 Ų13052.1 Ų52.149%0.49124%0.242SC..THydrogen-bonded Turntrans-65-39.3-179.9-174.3173.3-176.2158.91112.1Q47 T48 L49 L92 R93Q47-R51 PolarHBondContact O-N 3.12Å; T48-R51 WeakPolarHBondContact O-CB 3.48Å; T48-R51 PolarHBondContact O-N 2.83Å; L49-R51 PolarHBondContact O-N 2.93Å; R51-L92 HydrophobicContact CB-CD2 4.4Å; R51-L92 WeakPolarHBondContact CD-O 3.37Å; R51-L92 PolarHBondContact NH1-O 3.17Å; R51-R93 PolarHBondContact NH1-O 3.1Å
52E92.8Very high90.5Very high42 Ų4253.1 Ų53.120%0.19624%0.242CC..SBendtrans-107103.3174.8-178.852.7-110.600109.3C50 K54 S55 S58 L92 P119C50-E52 VanDerWaalsContact C-N 3.35Å; E52-K54 PolarHBondContact O-N 3.46Å; E52-S55 VanDerWaalsContact O-CB 3.3Å; E52-S55 WeakPolarHBondContact O-CB 3.29Å; E52-S55 PolarHBondContact O-N 3.39Å; E52-S55 PolarHBondContact O-OG 3.18Å; E52-S58 WeakPolarHBondContact O-CB 3.39Å; E52-L92 HydrophobicContact CB-CD2 4.3Å; E52-P119 WeakPolarHBondContact OE2-CD 3.37Å
53Q88.7Confident89Confident119 Ų11953.7 Ų53.756%0.55626%0.26SS*.THydrogen-bonded Turntrans-63.6-29.1-169.8-70.3-67.2-6.200113.4S55 S58Q53-S55 VanDerWaalsContact C-N 3.33Å; Q53-S58 PolarHBondContact OE1-OG 3.4Å
54K88.3Confident87.3Confident165 Ų16555 Ų5572%0.71726%0.264SS*.THydrogen-bonded Turntrans-85.4-7.3179.8-62.2179.7-177.7176.20113.2E52E52-K54 PolarHBondContact O-N 3.46Å
55S92.3Very high85.2Confident0 Ų064 Ų640%031%0.305CS..SBendtrans-70.8151.9-176.870.40000112.3E52 Q53 L57 S58 R59 Y115E52-S55 VanDerWaalsContact O-CB 3.3Å; E52-S55 WeakPolarHBondContact O-CB 3.29Å; E52-S55 PolarHBondContact O-N 3.39Å; E52-S55 PolarHBondContact O-OG 3.18Å; Q53-S55 VanDerWaalsContact C-N 3.33Å; S55-L57 PolarHBondContact O-N 3.48Å; S55-S58 PolarHBondContact O-N 3.45Å; S55-S58 WeakPolarHBondContact OG-CB 3.45Å; S55-S58 PolarHBondContact OG-N 2.89Å; S55-R59 PolarHBondContact O-N 2.98Å; S55-Y115 CarbonylContact C-O 3.5Å; S55-Y115 WeakPolarHBondContact CA-O 3.45Å; S55-Y115 WeakPolarHBondContact CB-O 3.28Å
56F91.5Very high83.3Confident43 Ų4365.5 Ų65.519%0.18931%0.312CS..Hα-helixtrans-54.6-40.3168.7169.8-98000111.8S58 R59 L60 L66 I78 F114 Y115F56-S58 VanDerWaalsContact C-N 3.32Å; F56-S58 PolarHBondContact O-N 2.7Å; F56-R59 PolarHBondContact O-N 3.43Å; F56-L60 HydrophobicContact CD1-CD1 4.11Å; F56-L60 HydrophobicContact CD1-CG 4.49Å; F56-L60 HydrophobicContact CE1-CD1 3.55Å; F56-L60 HydrophobicContact CE1-CD2 4.5Å; F56-L60 HydrophobicContact CE1-CG 4.08Å; F56-L60 HydrophobicContact CZ-CD1 4.09Å; F56-L60 HydrophobicContact CZ-CD2 4.22Å; F56-L60 HydrophobicContact CZ-CG 4.25Å; F56-L60 PolarHBondContact O-N 3.16Å; F56-L66 HydrophobicContact CD2-CD1 4.36Å; F56-L66 HydrophobicContact CE2-CD1 4.12Å; F56-I78 HydrophobicContact CE1-CD1 4.23Å; F56-I78 HydrophobicContact CE1-CG1 4.32Å; F56-F114 HydrophobicContact CD1-CE1 4.45Å; F56-Y115 AromaticContact CD1-CD1 3.91Å; F56-Y115 HydrophobicContact CD1-CD1 3.91Å; F56-Y115 HydrophobicContact CD1-CE1 4.22Å; F56-Y115 PolarHBondContact N-O 3.49Å
57L92Very high81.5Confident0 Ų072.2 Ų72.20%035%0.346CS..Hα-helixtrans-65.5-33.1-178.9-64.7174.7000112.9L35 L49 S55 L60 C61 I78 F85 L92 Y115L35-L57 HydrophobicContact CD1-CD2 4.33Å; L49-L57 HydrophobicContact CB-CB 4.35Å; L49-L57 HydrophobicContact CD2-CB 4.09Å; L49-L57 HydrophobicContact CD2-CD1 4.23Å; L49-L57 HydrophobicContact CD2-CD2 4.43Å; L49-L57 HydrophobicContact CD2-CG 4.48Å; S55-L57 PolarHBondContact O-N 3.48Å; L57-L60 HydrophobicContact CD2-CD1 4.19Å; L57-L60 WeakPolarHBondContact O-CB 3.37Å; L57-L60 PolarHBondContact O-N 3.21Å; L57-C61 PolarHBondContact O-N 3.07Å; L57-I78 HydrophobicContact CD2-CD1 4.19Å; L57-F85 HydrophobicContact CD1-CE2 4.16Å; L57-F85 HydrophobicContact CD1-CZ 4.45Å; L57-F85 HydrophobicContact CD2-CE2 4.4Å; L57-F85 HydrophobicContact CD2-CZ 4.5Å; L57-L92 HydrophobicContact CD1-CD1 3.56Å; L57-Y115 HydrophobicContact CD1-CD1 4.05Å; L57-Y115 HydrophobicContact CD1-CG 4.22Å; L57-Y115 HydrophobicContact CD2-CD1 3.86Å; L57-Y115 HydrophobicContact CD2-CE1 4.01Å; L57-Y115 HydrophobicContact CG-CD1 3.74Å; L57-Y115 HydrophobicContact CG-CE1 4.39Å; L57-Y115 HydrophobicContact CG-CG 4.33Å
58S90Very high80Confident0 Ų066.1 Ų66.10%032%0.321CS..Hα-helixtrans-67.9-38.8174.3-176.10000111.6L49 E52 Q53 S55 F56 L60 C61 Q62L49-S58 WeakPolarHBondContact O-CA 3.4Å; L49-S58 PolarHBondContact O-N 3.46Å; E52-S58 WeakPolarHBondContact O-CB 3.39Å; Q53-S58 PolarHBondContact OE1-OG 3.4Å; S55-S58 PolarHBondContact O-N 3.45Å; S55-S58 WeakPolarHBondContact OG-CB 3.45Å; S55-S58 PolarHBondContact OG-N 2.89Å; F56-S58 VanDerWaalsContact C-N 3.32Å; F56-S58 PolarHBondContact O-N 2.7Å; S58-L60 VanDerWaalsContact C-N 3.31Å; S58-L60 PolarHBondContact O-N 3.17Å; S58-C61 PolarHBondContact O-N 3.33Å; S58-C61 PolarHBondContact O-SG 3.04Å; S58-Q62 WeakPolarHBondContact O-CG 3.29Å; S58-Q62 PolarHBondContact O-N 3.38Å; S58-Q62 PolarHBondContact OG-NE2 3.09Å
59R87.9Confident79.2Confident93 Ų9370.7 Ų70.735%0.35135%0.345SS..Hα-helixtrans-61.7-39.9174.7-67.9-175.1-73.5138.6-4.7112S55 F56 C61 Q62 G63 L66S55-R59 PolarHBondContact O-N 2.98Å; F56-R59 PolarHBondContact O-N 3.43Å; R59-C61 VanDerWaalsContact C-N 3.29Å; R59-C61 PolarHBondContact O-N 3.28Å; R59-Q62 PolarHBondContact O-N 3.14Å; R59-G63 PolarHBondContact O-N 3.3Å; R59-L66 HydrophobicContact CB-CD1 3.58Å; R59-L66 HydrophobicContact CB-CG 4.4Å; R59-L66 VanDerWaalsContact NH1-CD2 3.31Å
60L82.8Confident78.9Confident4 Ų477.3 Ų77.32%0.02137%0.37CS..Hα-helixtrans-60-36.8172.6-65.9177.1000112.8F56 L57 S58 L66 Y76 I78F56-L60 HydrophobicContact CD1-CD1 4.11Å; F56-L60 HydrophobicContact CD1-CG 4.49Å; F56-L60 HydrophobicContact CE1-CD1 3.55Å; F56-L60 HydrophobicContact CE1-CD2 4.5Å; F56-L60 HydrophobicContact CE1-CG 4.08Å; F56-L60 HydrophobicContact CZ-CD1 4.09Å; F56-L60 HydrophobicContact CZ-CD2 4.22Å; F56-L60 HydrophobicContact CZ-CG 4.25Å; F56-L60 PolarHBondContact O-N 3.16Å; L57-L60 HydrophobicContact CD2-CD1 4.19Å; L57-L60 WeakPolarHBondContact O-CB 3.37Å; L57-L60 PolarHBondContact O-N 3.21Å; S58-L60 VanDerWaalsContact C-N 3.31Å; S58-L60 PolarHBondContact O-N 3.17Å; L60-L66 HydrophobicContact CD2-CD1 4.05Å; L60-L66 HydrophobicContact CG-CD1 4.45Å; L60-Y76 HydrophobicContact CB-CE1 4.45Å; L60-Y76 HydrophobicContact CD2-CD1 3.93Å; L60-Y76 HydrophobicContact CD2-CE1 4.23Å; L60-Y76 PolarHBondContact O-OH 2.93Å; L60-I78 HydrophobicContact CD1-CD1 4.18Å
61C75.8Confident78.7Confident6 Ų677.5 Ų77.54%0.04137%0.369CS..Hα-helixtrans-74-33.4-178.582.60000112.8R46 L49 C50 L57 S58 R59 G63R46-C61 PolarHBondContact NH1-O 3.29Å; L49-C61 HydrophobicContact CB-CB 4.05Å; C50-C61 WeakPolarHBondContact CB-SG 3.43Å; C50-C61 WeakPolarHBondContact SG-CB 3.25Å; C50-C61 CovalentContact SG-SG 2.04Å; C50-C61 PolarHBondContact SG-SG 2.89Å; L57-C61 PolarHBondContact O-N 3.07Å; S58-C61 PolarHBondContact O-N 3.33Å; S58-C61 PolarHBondContact O-SG 3.04Å; R59-C61 VanDerWaalsContact C-N 3.29Å; R59-C61 PolarHBondContact O-N 3.28Å; C61-G63 VanDerWaalsContact C-N 3.27Å; C61-G63 PolarHBondContact O-N 3.38Å
62Q78.4Confident78.5Confident90 Ų9080.9 Ų80.942%0.42139%0.39SS..Hα-helixtrans-78.9-10-176.7-68.3176.429.100113.2S58 R59 E64S58-Q62 WeakPolarHBondContact O-CG 3.29Å; S58-Q62 PolarHBondContact O-N 3.38Å; S58-Q62 PolarHBondContact OG-NE2 3.09Å; R59-Q62 PolarHBondContact O-N 3.14Å; Q62-E64 PolarHBondContact O-N 3.34Å
63G66.6Low78.2Confident54 Ų5482 Ų8256%0.55740%0.4SS*.THydrogen-bonded Turntrans67.216.4-178.800000112.6R59 C61 E65R59-G63 PolarHBondContact O-N 3.3Å; C61-G63 VanDerWaalsContact C-N 3.27Å; C61-G63 PolarHBondContact O-N 3.38Å; G63-E65 PolarHBondContact O-N 3.01Å
64E59.5Low78Confident121 Ų12178.2 Ų78.257%0.56539%0.393SS*.  trans-58.2130163.3-134.1177.7-159.800106.3Q62 L66Q62-E64 PolarHBondContact O-N 3.34Å; E64-L66 PolarHBondContact O-N 2.96Å
65E50.9Low78.2Confident191 Ų19170.3 Ų70.389%0.89336%0.359SS*.  trans-63.266.4-170.9-168.7168.1-159.800111.7G63G63-E65 PolarHBondContact O-N 3.01Å
66L54.2Low78.2Confident49 Ų4970.8 Ų70.826%0.25736%0.36SS..  trans-72.7130.9154.4-60.6179.7000104.9F56 R59 L60 E64 S68F56-L66 HydrophobicContact CD2-CD1 4.36Å; F56-L66 HydrophobicContact CE2-CD1 4.12Å; R59-L66 HydrophobicContact CB-CD1 3.58Å; R59-L66 HydrophobicContact CB-CG 4.4Å; R59-L66 VanDerWaalsContact NH1-CD2 3.31Å; L60-L66 HydrophobicContact CD2-CD1 4.05Å; L60-L66 HydrophobicContact CG-CD1 4.45Å; E64-L66 PolarHBondContact O-N 2.96Å; L66-S68 PolarHBondContact O-N 2.86Å
67Q54Low78.2Confident193 Ų19372.2 Ų72.290%0.90237%0.37SS*.  trans-63.954.3164.6-59-178.7-73.700109.3D69Q67-D69 PolarHBondContact O-N 3.48Å
68S61.8Low78.3Confident34 Ų3472.6 Ų72.624%0.23837%0.372CS..  trans-77.1106.4176.460.90000105.7L66 R70 Y76L66-S68 PolarHBondContact O-N 2.86Å; S68-R70 PolarHBondContact O-N 2.68Å; S68-Y76 VanDerWaalsContact OG-CD1 3.31Å; S68-Y76 WeakPolarHBondContact OG-CD1 3.48Å; S68-Y76 WeakPolarHBondContact OG-CE1 3.47Å
69D78Confident78.5Confident116 Ų11680.2 Ų80.262%0.6241%0.412SS*.  trans-54.1128.4170.8-64.5-38.5000107.6Q67 L77Q67-D69 PolarHBondContact O-N 3.48Å; D69-L77 HydrophobicContact CB-CB 4.19Å; D69-L77 HydrophobicContact CB-CD1 3.63Å; D69-L77 WeakPolarHBondContact O-CB 3.13Å; D69-L77 PolarHBondContact O-N 2.84Å
70R87.7Confident78.9Confident140 Ų14079.4 Ų79.453%0.52841%0.409SS..BIsolated β-bridgetrans-108.4139.5169.5-68.1-173.7-176153.63.7108.3S68 A75 Y76S68-R70 PolarHBondContact O-N 2.68Å; R70-A75 WeakPolarHBondContact CA-O 3.41Å; R70-Y76 HydrophobicContact CG-CD1 4.14Å; R70-Y76 VanDerWaalsContact NH2-CZ 3.26Å; R70-Y76 PolarHBondContact NH2-OH 3.28Å
71D87.3Confident79.5Confident37 Ų3782.3 Ų82.320%0.19843%0.425CS..  trans-74.8174.8172.467.319.4000111.8T73 G74 A75 L77D71-T73 PolarHBondContact O-N 3.44Å; D71-T73 VanDerWaalsContact O-N 3.08Å; D71-T73 VanDerWaalsContact OD1-CA 3.3Å; D71-T73 WeakPolarHBondContact OD1-CA 3.12Å; D71-T73 WeakPolarHBondContact OD1-CB 3.45Å; D71-T73 PolarHBondContact OD1-N 2.79Å; D71-T73 PolarHBondContact OD1-OG1 2.86Å; D71-T73 PolarHBondContact OD2-OG1 3.16Å; D71-G74 PolarHBondContact O-N 3.31Å; D71-G74 PolarHBondContact OD1-N 3.34Å; D71-A75 PolarHBondContact N-O 3.48Å; D71-A75 WeakPolarHBondContact OD1-CB 3.45Å; D71-A75 PolarHBondContact OD1-N 3.5Å; D71-A75 WeakPolarHBondContact OD2-CB 3.42Å; D71-L77 HydrophobicContact CB-CD1 4.24Å; D71-L77 HydrophobicContact CB-CD2 4.47Å; D71-L77 HydrophobicContact CB-CG 4.45Å
72E87.6Confident80.6Confident201 Ų20183.3 Ų83.394%0.93943%0.431SS*.THydrogen-bonded Turntrans-57.3-21.3176.360.3-177.9179.200113.6G74E72-G74 VanDerWaalsContact C-N 3.34Å
73T86.4Confident81.4Confident65 Ų6583 Ų8340%0.39944%0.436SS..THydrogen-bonded Turntrans-89-3.7177.983.20000113.2R34 D71R34-T73 PolarHBondContact NH1-OG1 3.09Å; D71-T73 PolarHBondContact O-N 3.44Å; D71-T73 VanDerWaalsContact O-N 3.08Å; D71-T73 VanDerWaalsContact OD1-CA 3.3Å; D71-T73 WeakPolarHBondContact OD1-CA 3.12Å; D71-T73 WeakPolarHBondContact OD1-CB 3.45Å; D71-T73 PolarHBondContact OD1-N 2.79Å; D71-T73 PolarHBondContact OD1-OG1 2.86Å; D71-T73 PolarHBondContact OD2-OG1 3.16Å
74G86.3Confident82.9Confident40 Ų4083.1 Ų83.141%0.41242%0.42SS..  trans7914.8-177.300000114.3D71 E72D71-G74 PolarHBondContact O-N 3.31Å; D71-G74 PolarHBondContact OD1-N 3.34Å; E72-G74 VanDerWaalsContact C-N 3.34Å
75A90.9Very high84.7Confident0 Ų077.4 Ų77.40%039%0.393CS..PPolyproline II helixtrans-80.3139.9174.800000110.8R34 N36 R70 D71 L77R34-A75 HydrophobicContact CB-CB 3.58Å; R34-A75 WeakPolarHBondContact O-CA 3.21Å; N36-A75 HydrophobicContact CB-CB 4.17Å; R70-A75 WeakPolarHBondContact CA-O 3.41Å; D71-A75 PolarHBondContact N-O 3.48Å; D71-A75 WeakPolarHBondContact OD1-CB 3.45Å; D71-A75 PolarHBondContact OD1-N 3.5Å; D71-A75 WeakPolarHBondContact OD2-CB 3.42Å; A75-L77 PolarHBondContact O-N 2.76Å
76Y91.9Very high86.9Confident9 Ų969.2 Ų69.24%0.03536%0.36CS..EExtended strand (participates in β ladder)trans-73.9123.2175.2-66.4-90.4000110.2V33 R34 L35 N36 L60 S68 R70V33-Y76 HydrophobicContact CG1-CD2 3.68Å; V33-Y76 HydrophobicContact CG1-CE2 3.66Å; R34-Y76 PolarHBondContact O-N 3.49Å; L35-Y76 HydrophobicContact CD2-CD2 4.07Å; L35-Y76 HydrophobicContact CD2-CG 4.36Å; N36-Y76 PolarHBondContact N-O 3.44Å; L60-Y76 HydrophobicContact CB-CE1 4.45Å; L60-Y76 HydrophobicContact CD2-CD1 3.93Å; L60-Y76 HydrophobicContact CD2-CE1 4.23Å; L60-Y76 PolarHBondContact O-OH 2.93Å; S68-Y76 VanDerWaalsContact OG-CD1 3.31Å; S68-Y76 WeakPolarHBondContact OG-CD1 3.48Å; S68-Y76 WeakPolarHBondContact OG-CE1 3.47Å; R70-Y76 HydrophobicContact CG-CD1 4.14Å; R70-Y76 VanDerWaalsContact NH2-CZ 3.26Å; R70-Y76 PolarHBondContact NH2-OH 3.28Å
77L92.7Very high89Confident74 Ų7467.3 Ų67.339%0.38735%0.351SS..EExtended strand (participates in β ladder)trans-81.6130.6179.3-68.4150.3000110.2N36 D69 D71 A75N36-L77 HydrophobicContact CB-CD2 4.17Å; N36-L77 CarbonylContact O-C 3.42Å; N36-L77 WeakPolarHBondContact O-CA 3.17Å; D69-L77 HydrophobicContact CB-CB 4.19Å; D69-L77 HydrophobicContact CB-CD1 3.63Å; D69-L77 WeakPolarHBondContact O-CB 3.13Å; D69-L77 PolarHBondContact O-N 2.84Å; D71-L77 HydrophobicContact CB-CD1 4.24Å; D71-L77 HydrophobicContact CB-CD2 4.47Å; D71-L77 HydrophobicContact CB-CG 4.45Å; A75-L77 PolarHBondContact O-N 2.76Å
78I93.6Very high91.1Very high8 Ų858.1 Ų58.14%0.04131%0.308CS..EExtended strand (participates in β ladder)trans-132.5116.1179.3-59.3174.5000107.4L35 N36 V37 G38 F56 L57 L60 R80 F114 Y115L35-I78 HydrophobicContact CD2-CD1 4.41Å; N36-I78 PolarHBondContact O-N 3.23Å; V37-I78 CarbonylContact C-O 3.58Å; V37-I78 WeakPolarHBondContact CA-O 3.42Å; V37-I78 HydrophobicContact CG1-CB 4.49Å; V37-I78 HydrophobicContact CG1-CG2 4.34Å; V37-I78 HydrophobicContact CG2-CB 4.2Å; V37-I78 HydrophobicContact CG2-CD1 4.1Å; G38-I78 PolarHBondContact N-O 3.06Å; F56-I78 HydrophobicContact CE1-CD1 4.23Å; F56-I78 HydrophobicContact CE1-CG1 4.32Å; L57-I78 HydrophobicContact CD2-CD1 4.19Å; L60-I78 HydrophobicContact CD1-CD1 4.18Å; I78-R80 VanDerWaalsContact C-N 3.26Å; I78-R80 HydrophobicContact CG2-CB 3.95Å; I78-R80 HydrophobicContact CG2-CG 3.72Å; I78-R80 PolarHBondContact O-N 2.94Å; I78-F114 HydrophobicContact CG2-CE1 4.36Å; I78-Y115 HydrophobicContact CD1-CE1 4.46Å; I78-Y115 HydrophobicContact CG2-CE1 4.23Å
79D94.9Very high92.8Very high159 Ų15956.7 Ų56.785%0.8530%0.297SS*.  trans-83.169179.1-170.122.3000110.9
80R96.2Very high93.7Very high76 Ų7653.8 Ų53.829%0.28728%0.282SS..SBendtrans-140.5165.4179.3-65.2-58.8-63.1-178.6-4.2110.9V37 G38 I78 P82 E111 F114V37-R80 HydrophobicContact CG1-CB 4.06Å; V37-R80 WeakPolarHBondContact CG1-O 3.47Å; G38-R80 WeakPolarHBondContact CA-O 3.13Å; G38-R80 PolarHBondContact N-O 3.06Å; G38-R80 VanDerWaalsContact N-O 3.17Å; I78-R80 VanDerWaalsContact C-N 3.26Å; I78-R80 HydrophobicContact CG2-CB 3.95Å; I78-R80 HydrophobicContact CG2-CG 3.72Å; I78-R80 PolarHBondContact O-N 2.94Å; R80-P82 WeakPolarHBondContact O-CD 3.3Å; R80-E111 WeakPolarHBondContact CB-OE2 3.32Å; R80-E111 IonicContact CZ-OE1 3.18Å; R80-E111 IonicContact NE-OE1 2.95Å; R80-E111 PolarHBondContact NE-OE1 3.18Å; R80-E111 IonicContact NE-OE2 3.32Å; R80-E111 PolarHBondContact NE-OE2 3.31Å; R80-E111 IonicContact NH2-OE1 2.67Å; R80-E111 PolarHBondContact NH2-OE1 3.22Å; R80-F114 HydrophobicContact CG-CD1 3.81Å; R80-F114 HydrophobicContact CG-CE1 3.5Å; R80-F114 VanDerWaalsContact CG-CE1 3.5Å; R80-F114 HydrophobicContact CG-CE2 4.31Å; R80-F114 HydrophobicContact CG-CG 4.35Å; R80-F114 HydrophobicContact CG-CZ 3.78Å
81D95.9Very high94.2Very high66 Ų6648 Ų4835%0.35326%0.26SS..  trans-71.9119.5179.6-170.7-19000111.1T83 Y84D81-T83 PolarHBondContact O-N 2.79Å; D81-T83 WeakPolarHBondContact OD1-CB 3.24Å; D81-T83 PolarHBondContact OD1-N 2.95Å; D81-T83 PolarHBondContact OD1-OG1 2.74Å; D81-Y84 HydrophobicContact CB-CD2 4.23Å
82P97.1Very high94.7Very high26 Ų2646.3 Ų46.317%0.16925%0.252CS..Hα-helixtrans-66.9-23177.726-33.6000114.1V37 T40 F42 R80 Y84 F85V37-P82 WeakPolarHBondContact O-CB 3.47Å; T40-P82 HydrophobicContact CG2-CB 4.27Å; T40-P82 WeakPolarHBondContact OG1-CB 3.27Å; T40-P82 WeakPolarHBondContact OG1-CG 3.49Å; F42-P82 HydrophobicContact CE2-CB 3.96Å; F42-P82 HydrophobicContact CZ-CB 4.15Å; R80-P82 WeakPolarHBondContact O-CD 3.3Å; P82-Y84 VanDerWaalsContact C-N 3.31Å; P82-Y84 PolarHBondContact O-N 2.85Å; P82-F85 PolarHBondContact O-N 2.81Å
83T96.8Very high95.1Very high85 Ų8542.4 Ų42.452%0.52123%0.228SC..Hα-helixtrans-59.2-43.7-175.3-50.50000111.1D81D81-T83 PolarHBondContact O-N 2.79Å; D81-T83 WeakPolarHBondContact OD1-CB 3.24Å; D81-T83 PolarHBondContact OD1-N 2.95Å; D81-T83 PolarHBondContact OD1-OG1 2.74Å
84Y97.4Very high95.6Very high56 Ų5643.4 Ų43.422%0.2223%0.228CC..Hα-helixtrans-90.2-8.5-178.2-60.6-69.2000113.3D81 P82 P87 I88 M103 A104 V108D81-Y84 HydrophobicContact CB-CD2 4.23Å; P82-Y84 VanDerWaalsContact C-N 3.31Å; P82-Y84 PolarHBondContact O-N 2.85Å; Y84-P87 WeakPolarHBondContact O-CD 3.45Å; Y84-I88 WeakPolarHBondContact O-CG1 3.1Å; Y84-M103 HydrophobicContact CD1-CG 4.07Å; Y84-M103 HydrophobicContact CD1-SD 4.39Å; Y84-M103 HydrophobicContact CE1-CG 4.03Å; Y84-A104 HydrophobicContact CE1-CB 4.23Å; Y84-A104 WeakPolarHBondContact CE1-O 3.45Å; Y84-V108 HydrophobicContact CD1-CG2 3.72Å
85F97.8Very high96Very high0 Ų042.9 Ų42.90%022%0.223CC..Hα-helixtrans-73.2-29-178.4-174-111.6000113.7L35 V37 F42 L57 P82 I88 L89 Y115L35-F85 HydrophobicContact CD1-CE1 4.06Å; L35-F85 HydrophobicContact CD1-CZ 3.67Å; V37-F85 HydrophobicContact CG1-CB 4.23Å; V37-F85 HydrophobicContact CG1-CG 4.3Å; V37-F85 HydrophobicContact CG2-CD1 3.82Å; V37-F85 HydrophobicContact CG2-CD2 4.39Å; V37-F85 HydrophobicContact CG2-CE1 3.9Å; V37-F85 HydrophobicContact CG2-CE2 4.47Å; V37-F85 HydrophobicContact CG2-CG 4.07Å; V37-F85 HydrophobicContact CG2-CZ 4.24Å; F42-F85 HydrophobicContact CB-CD1 4.48Å; F42-F85 HydrophobicContact CB-CE1 4.06Å; F42-F85 AromaticContact CD1-CD1 3.83Å; F42-F85 HydrophobicContact CD1-CD1 3.83Å; F42-F85 HydrophobicContact CD1-CE1 4.15Å; F42-F85 AromaticContact CD2-CD1 3.61Å; F42-F85 HydrophobicContact CD2-CD1 3.61Å; F42-F85 AromaticContact CD2-CE1 3.94Å; F42-F85 HydrophobicContact CD2-CE1 3.94Å; F42-F85 AromaticContact CE1-CD1 3.88Å; F42-F85 HydrophobicContact CE1-CD1 3.88Å; F42-F85 HydrophobicContact CE2-CB 4.48Å; F42-F85 AromaticContact CE2-CD1 3.68Å; F42-F85 HydrophobicContact CE2-CD1 3.68Å; F42-F85 HydrophobicContact CE2-CE1 4.45Å; F42-F85 HydrophobicContact CE2-CG 4.48Å; F42-F85 AromaticContact CG-CD1 3.7Å; F42-F85 HydrophobicContact CG-CD1 3.7Å; F42-F85 AromaticContact CG-CE1 3.77Å; F42-F85 HydrophobicContact CG-CE1 3.77Å; F42-F85 HydrophobicContact CZ-CB 4.29Å; F42-F85 AromaticContact CZ-CD1 3.8Å; F42-F85 HydrophobicContact CZ-CD1 3.8Å; L57-F85 HydrophobicContact CD1-CE2 4.16Å; L57-F85 HydrophobicContact CD1-CZ 4.45Å; L57-F85 HydrophobicContact CD2-CE2 4.4Å; L57-F85 HydrophobicContact CD2-CZ 4.5Å; P82-F85 PolarHBondContact O-N 2.81Å; F85-I88 HydrophobicContact CD2-CB 4.35Å; F85-I88 WeakPolarHBondContact O-CB 3.42Å; F85-I88 PolarHBondContact O-N 2.86Å; F85-I88 VanDerWaalsContact O-N 3.13Å; F85-L89 HydrophobicContact CD1-CB 4.46Å; F85-L89 HydrophobicContact CE1-CB 4.08Å; F85-L89 HydrophobicContact CE1-CD2 4.09Å; F85-L89 HydrophobicContact CE1-CG 4.49Å; F85-L89 HydrophobicContact CZ-CB 4.35Å; F85-L89 PolarHBondContact O-N 3.22Å; F85-Y115 HydrophobicContact CD2-CD2 4.37Å; F85-Y115 HydrophobicContact CD2-CE1 4.36Å; F85-Y115 AromaticContact CD2-CE2 3.55Å; F85-Y115 HydrophobicContact CD2-CE2 3.55Å; F85-Y115 AromaticContact CD2-CZ 3.55Å; F85-Y115 HydrophobicContact CE2-CD2 4.45Å; F85-Y115 HydrophobicContact CE2-CE1 4.03Å; F85-Y115 AromaticContact CE2-CE2 3.9Å; F85-Y115 HydrophobicContact CE2-CE2 3.9Å; F85-Y115 AromaticContact CE2-CZ 3.68Å
86G96.9Very high96.2Very high20 Ų2050 Ų5021%0.20625%0.254CS..Hα-helixtrans-52.8-55.8179.800000113.4I88 L89 N90G86-I88 VanDerWaalsContact C-N 3.28Å; G86-I88 PolarHBondContact O-N 2.8Å; G86-L89 PolarHBondContact O-N 2.84Å; G86-N90 WeakPolarHBondContact O-CB 3.4Å; G86-N90 PolarHBondContact O-N 2.88Å; G86-N90 PolarHBondContact O-ND2 2.84Å
87P97.5Very high96.4Very high9 Ų951.3 Ų51.36%0.05826%0.261CS..Hα-helixtrans-54.2-40.7174-28.633.3000114.2Y84 N90 F91 L99 M103 V108Y84-P87 WeakPolarHBondContact O-CD 3.45Å; P87-N90 PolarHBondContact O-N 2.76Å; P87-F91 WeakPolarHBondContact O-CB 3.27Å; P87-F91 PolarHBondContact O-N 2.8Å; P87-L99 HydrophobicContact CB-CD2 3.57Å; P87-L99 HydrophobicContact CG-CD2 3.56Å; P87-M103 HydrophobicContact CG-CE 4.21Å; P87-M103 HydrophobicContact CG-SD 3.42Å; P87-M103 WeakPolarHBondContact CG-SD 3.49Å; P87-V108 HydrophobicContact CB-CG1 3.99Å; P87-V108 HydrophobicContact CG-CG2 4.27Å
88I97.9Very high96.5Very high0 Ų051.7 Ų51.70%027%0.266CS..Hα-helixtrans-61.2-50.7178.6-52.5-53.9000110.5Y84 F85 G86 N90 F91 L92 V108 E111 A112 Y115 I117 L120Y84-I88 WeakPolarHBondContact O-CG1 3.1Å; F85-I88 HydrophobicContact CD2-CB 4.35Å; F85-I88 WeakPolarHBondContact O-CB 3.42Å; F85-I88 PolarHBondContact O-N 2.86Å; F85-I88 VanDerWaalsContact O-N 3.13Å; G86-I88 VanDerWaalsContact C-N 3.28Å; G86-I88 PolarHBondContact O-N 2.8Å; I88-N90 VanDerWaalsContact C-N 3.34Å; I88-N90 PolarHBondContact O-N 2.81Å; I88-F91 WeakPolarHBondContact O-CB 3.26Å; I88-F91 PolarHBondContact O-N 3.4Å; I88-L92 PolarHBondContact O-N 3.5Å; I88-L92 VanDerWaalsContact O-N 3.09Å; I88-V108 HydrophobicContact CD1-CG1 3.83Å; I88-E111 HydrophobicContact CD1-CB 4.12Å; I88-E111 HydrophobicContact CG1-CB 3.99Å; I88-A112 HydrophobicContact CD1-CB 3.92Å; I88-Y115 HydrophobicContact CG1-CD2 4.28Å; I88-Y115 HydrophobicContact CG2-CD2 3.89Å; I88-Y115 HydrophobicContact CG2-CG 4.45Å; I88-I117 HydrophobicContact CG2-CD1 3.22Å; I88-L120 HydrophobicContact CD1-CD2 3.53Å
89L97.6Very high96.6Very high4 Ų452.5 Ų52.52%0.02127%0.271CS..Hα-helixtrans-65.2-39.3-178.9-175.760.5000111.8F42 T44 T48 L49 F85 G86 L92 R93F42-L89 HydrophobicContact CB-CD2 4.12Å; F42-L89 HydrophobicContact CD1-CD2 4.05Å; F42-L89 HydrophobicContact CG-CD2 4.45Å; T44-L89 HydrophobicContact CG2-CD1 4.11Å; T48-L89 HydrophobicContact CG2-CD1 4.28Å; L49-L89 HydrophobicContact CD2-CD1 4.36Å; F85-L89 HydrophobicContact CD1-CB 4.46Å; F85-L89 HydrophobicContact CE1-CB 4.08Å; F85-L89 HydrophobicContact CE1-CD2 4.09Å; F85-L89 HydrophobicContact CE1-CG 4.49Å; F85-L89 HydrophobicContact CZ-CB 4.35Å; F85-L89 PolarHBondContact O-N 3.22Å; G86-L89 PolarHBondContact O-N 2.84Å; L89-L92 PolarHBondContact O-N 2.81Å; L89-R93 WeakPolarHBondContact O-CG 3.41Å; L89-R93 PolarHBondContact O-N 2.56Å
90N97.8Very high96.5Very high54 Ų5450.6 Ų50.629%0.28926%0.261SS..Hα-helixtrans-65.9-40.9176.6-77.2-18.2000111.8G86 P87 I88 L92 R93 H94G86-N90 WeakPolarHBondContact O-CB 3.4Å; G86-N90 PolarHBondContact O-N 2.88Å; G86-N90 PolarHBondContact O-ND2 2.84Å; P87-N90 PolarHBondContact O-N 2.76Å; I88-N90 VanDerWaalsContact C-N 3.34Å; I88-N90 PolarHBondContact O-N 2.81Å; N90-L92 VanDerWaalsContact C-N 3.28Å; N90-L92 PolarHBondContact O-N 2.89Å; N90-R93 WeakPolarHBondContact O-CA 3.34Å; N90-R93 WeakPolarHBondContact O-CB 3.45Å; N90-R93 PolarHBondContact O-N 3.25Å; N90-R93 PolarHBondContact OD1-NH1 3.41Å; N90-H94 WeakPolarHBondContact CB-NE2 3.32Å; N90-H94 PolarHBondContact O-CD2 3.27Å; N90-H94 VanDerWaalsContact O-CD2 3.27Å; N90-H94 PolarHBondContact O-CE1 3.32Å; N90-H94 PolarHBondContact O-N 3.08Å; N90-H94 PolarHBondContact O-ND1 3.38Å; N90-H94 PolarHBondContact O-NE2 3.02Å
91F97.9Very high96.1Very high18 Ų1857 Ų578%0.07929%0.29CS..Hα-helixtrans-56.5-43.4171.2-179.2-95.4000111.5P87 I88 R93 G95 I117 P119 L120 I123P87-F91 WeakPolarHBondContact O-CB 3.27Å; P87-F91 PolarHBondContact O-N 2.8Å; I88-F91 WeakPolarHBondContact O-CB 3.26Å; I88-F91 PolarHBondContact O-N 3.4Å; F91-R93 VanDerWaalsContact C-N 3.29Å; F91-R93 PolarHBondContact O-N 3.28Å; F91-G95 WeakPolarHBondContact O-CA 3.48Å; F91-G95 PolarHBondContact O-N 3.47Å; F91-I117 HydrophobicContact CD1-CG2 3.89Å; F91-I117 HydrophobicContact CE1-CG2 3.72Å; F91-P119 HydrophobicContact CE1-CB 4.44Å; F91-P119 HydrophobicContact CZ-CB 4.04Å; F91-L120 HydrophobicContact CB-CD1 4.32Å; F91-L120 HydrophobicContact CB-CD2 4Å; F91-L120 HydrophobicContact CD1-CB 3.87Å; F91-L120 HydrophobicContact CD1-CD1 4.46Å; F91-L120 HydrophobicContact CD1-CD2 4.04Å; F91-L120 HydrophobicContact CD1-CG 4.35Å; F91-L120 HydrophobicContact CD2-CB 4.43Å; F91-L120 HydrophobicContact CD2-CD1 3.79Å; F91-L120 HydrophobicContact CE1-CB 3.79Å; F91-L120 HydrophobicContact CE2-CB 4.37Å; F91-L120 HydrophobicContact CE2-CD1 4.23Å; F91-L120 HydrophobicContact CG-CB 4.19Å; F91-L120 HydrophobicContact CG-CD1 3.92Å; F91-L120 HydrophobicContact CG-CD2 3.98Å; F91-L120 HydrophobicContact CG-CG 4.26Å; F91-L120 HydrophobicContact CZ-CB 4.05Å; F91-I123 HydrophobicContact CE2-CD1 3.79Å; F91-I123 HydrophobicContact CZ-CD1 4.27Å
92L96.8Very high95.8Very high3 Ų361.7 Ų61.72%0.01632%0.315CS..Hα-helixtrans-66.8-27.8175.3-64.3177000113.3T48 R51 E52 L57 I88 L89 N90 I117T48-L92 HydrophobicContact CG2-CB 3.8Å; R51-L92 HydrophobicContact CB-CD2 4.4Å; R51-L92 WeakPolarHBondContact CD-O 3.37Å; R51-L92 PolarHBondContact NH1-O 3.17Å; E52-L92 HydrophobicContact CB-CD2 4.3Å; L57-L92 HydrophobicContact CD1-CD1 3.56Å; I88-L92 PolarHBondContact O-N 3.5Å; I88-L92 VanDerWaalsContact O-N 3.09Å; L89-L92 PolarHBondContact O-N 2.81Å; N90-L92 VanDerWaalsContact C-N 3.28Å; N90-L92 PolarHBondContact O-N 2.89Å; L92-I117 HydrophobicContact CD1-CD1 4.21Å; L92-I117 HydrophobicContact CD2-CD1 4.17Å; L92-I117 HydrophobicContact CD2-CG2 4.45Å; L92-I117 HydrophobicContact CG-CD1 4.27Å
93R97.3Very high95.5Very high118 Ų11862.1 Ų62.145%0.44532%0.316SS..Hα-helixtrans-73.4-50.3177.3-72.4170.3174.4168.4-5.4112.7L43 T48 R51 L89 N90 F91L43-R93 PolarHBondContact O-NH2 2.96Å; T48-R93 HydrophobicContact CG2-CB 4.49Å; T48-R93 HydrophobicContact CG2-CG 3.66Å; R51-R93 PolarHBondContact NH1-O 3.1Å; L89-R93 WeakPolarHBondContact O-CG 3.41Å; L89-R93 PolarHBondContact O-N 2.56Å; N90-R93 WeakPolarHBondContact O-CA 3.34Å; N90-R93 WeakPolarHBondContact O-CB 3.45Å; N90-R93 PolarHBondContact O-N 3.25Å; N90-R93 PolarHBondContact OD1-NH1 3.41Å; F91-R93 VanDerWaalsContact C-N 3.29Å; F91-R93 PolarHBondContact O-N 3.28Å
94H96.3Very high95.4Very high87 Ų8760 Ų6040%0.40331%0.306SS..Hα-helixtrans-122.4-9-171.649.168.6000115.2N90 K96N90-H94 WeakPolarHBondContact CB-NE2 3.32Å; N90-H94 PolarHBondContact O-CD2 3.27Å; N90-H94 VanDerWaalsContact O-CD2 3.27Å; N90-H94 PolarHBondContact O-CE1 3.32Å; N90-H94 PolarHBondContact O-N 3.08Å; N90-H94 PolarHBondContact O-ND1 3.38Å; N90-H94 PolarHBondContact O-NE2 3.02Å; H94-K96 PolarHBondContact CE1-O 2.92Å; H94-K96 PolarHBondContact ND1-N 2.81Å; H94-K96 PolarHBondContact ND1-O 2.73Å
95G95Very high95.3Very high29 Ų2957.9 Ų57.930%0.29930%0.299SS..SBendtrans7921.2176.500000114.5F91F91-G95 WeakPolarHBondContact O-CA 3.48Å; F91-G95 PolarHBondContact O-N 3.47Å
96K95.9Very high95.2Very high150 Ų15063.1 Ų63.165%0.65232%0.323SS*.  trans-124.3139.1178.4-61.1-175.1177.5-176.40109.8H94H94-K96 PolarHBondContact CE1-O 2.92Å; H94-K96 PolarHBondContact ND1-N 2.81Å; H94-K96 PolarHBondContact ND1-O 2.73Å
97L95.8Very high95.2Very high35 Ų3562.7 Ų62.718%0.18332%0.319CS..  trans-79.3121.3171.3176.956.3000108.9L99 L120 I123 I124L97-L99 HydrophobicContact CD1-CD1 4.27Å; L97-L99 HydrophobicContact CD1-CD2 3.56Å; L97-L99 HydrophobicContact CD1-CG 3.75Å; L97-L99 HydrophobicContact CG-CD2 4.45Å; L97-L99 HydrophobicContact CG-CG 4.11Å; L97-L120 HydrophobicContact CB-CD1 4.28Å; L97-L120 HydrophobicContact CD1-CD1 3.88Å; L97-L120 HydrophobicContact CD2-CD1 4.5Å; L97-L120 HydrophobicContact CG-CD1 4.44Å; L97-I123 HydrophobicContact CB-CG2 4.04Å; L97-I123 HydrophobicContact CD2-CG2 3.8Å; L97-I124 HydrophobicContact CD1-CG1 4.48Å; L97-I124 HydrophobicContact CD2-CG1 3.65Å
98V94.9Very high95.2Very high83 Ų8362.3 Ų62.350%0.50332%0.316SS..  trans-129.3115.2175.8-178.50000106.9
99L94.1Very high95.2Very high25 Ų2563.3 Ų63.313%0.13132%0.322CS..  trans-118.9140.7178.1-58.1-171.4000109.4P87 L97 M103 E105 V108P87-L99 HydrophobicContact CB-CD2 3.57Å; P87-L99 HydrophobicContact CG-CD2 3.56Å; L97-L99 HydrophobicContact CD1-CD1 4.27Å; L97-L99 HydrophobicContact CD1-CD2 3.56Å; L97-L99 HydrophobicContact CD1-CG 3.75Å; L97-L99 HydrophobicContact CG-CD2 4.45Å; L97-L99 HydrophobicContact CG-CG 4.11Å; L99-M103 HydrophobicContact CD2-SD 4.06Å; L99-E105 HydrophobicContact CD1-CB 4.31Å; L99-E105 HydrophobicContact CD1-CG 3.68Å; L99-V108 HydrophobicContact CD1-CG2 4.41Å; L99-V108 HydrophobicContact CD2-CB 4.41Å; L99-V108 HydrophobicContact CD2-CG1 4.13Å; L99-V108 HydrophobicContact CD2-CG2 3.76Å
100D92.8Very high95.2Very high119 Ų11968.5 Ų68.564%0.63635%0.346SS*.  trans-69.6156.3169.1-64.9-40.1000110.3D102 M103D100-D102 PolarHBondContact O-N 2.86Å; D100-M103 HydrophobicContact CB-CB 4.42Å; D100-M103 PolarHBondContact O-N 3.32Å
101K87.8Confident95.2Very high209 Ų20966.2 Ų66.291%0.90933%0.333SS*.THydrogen-bonded Turntrans-59.8-33.1-172.5-67.8-175.3177.7-1720113.7
102D89.9Confident95.2Very high165 Ų16565.3 Ų65.388%0.88233%0.33SS*.THydrogen-bonded Turntrans-100.96.3-174.5-51.7-50000112.7D100D100-D102 PolarHBondContact O-N 2.86Å
103M92.3Very high95.2Very high36 Ų3668.8 Ų68.818%0.17735%0.345CS..  trans-83.6124.8179.7-173.2170.4-74.900110.4Y84 P87 L99 D100 E105 V108Y84-M103 HydrophobicContact CD1-CG 4.07Å; Y84-M103 HydrophobicContact CD1-SD 4.39Å; Y84-M103 HydrophobicContact CE1-CG 4.03Å; P87-M103 HydrophobicContact CG-CE 4.21Å; P87-M103 HydrophobicContact CG-SD 3.42Å; P87-M103 WeakPolarHBondContact CG-SD 3.49Å; L99-M103 HydrophobicContact CD2-SD 4.06Å; D100-M103 HydrophobicContact CB-CB 4.42Å; D100-M103 PolarHBondContact O-N 3.32Å; M103-E105 PolarHBondContact O-N 3.12Å; M103-V108 HydrophobicContact CG-CG2 4.02Å; M103-V108 HydrophobicContact SD-CG2 3.76Å
104A94.3Very high95.2Very high39 Ų3967.2 Ų67.232%0.32234%0.342SS..  trans-64.9123.8174.900000110.6Y84 E106 G107 V108Y84-A104 HydrophobicContact CE1-CB 4.23Å; Y84-A104 WeakPolarHBondContact CE1-O 3.45Å; A104-E106 VanDerWaalsContact C-N 3.29Å; A104-G107 PolarHBondContact O-N 2.72Å; A104-V108 PolarHBondContact O-N 3.31Å
105E94.8Very high95.2Very high12 Ų1263 Ų636%0.05632%0.323CS..Hα-helixtrans-73.1-29.6-177.4-56-163.9152.800111.4L99 M103 G107 V108 L109 R127 M128 K131L99-E105 HydrophobicContact CD1-CB 4.31Å; L99-E105 HydrophobicContact CD1-CG 3.68Å; M103-E105 PolarHBondContact O-N 3.12Å; E105-G107 VanDerWaalsContact C-N 3.31Å; E105-G107 PolarHBondContact O-N 3.17Å; E105-V108 PolarHBondContact O-N 3.25Å; E105-L109 WeakPolarHBondContact O-CB 3.48Å; E105-L109 PolarHBondContact O-N 3.31Å; E105-R127 IonicContact OE1-CZ 3.12Å; E105-R127 IonicContact OE1-NE 3.41Å; E105-R127 PolarHBondContact OE1-NE 3.35Å; E105-R127 VanDerWaalsContact OE1-NE 3.12Å; E105-R127 IonicContact OE1-NH1 3.17Å; E105-R127 PolarHBondContact OE1-NH1 3.33Å; E105-R127 IonicContact OE1-NH2 2.96Å; E105-R127 PolarHBondContact OE1-NH2 2.95Å; E105-R127 VanDerWaalsContact OE1-NH2 3.17Å; E105-M128 HydrophobicContact CB-CG 4.27Å; E105-M128 HydrophobicContact CB-SD 4.4Å; E105-K131 IonicContact OE1-NZ 2.63Å; E105-K131 PolarHBondContact OE1-NZ 3Å; E105-K131 WeakPolarHBondContact OE2-CE 3.29Å; E105-K131 IonicContact OE2-NZ 2.75Å; E105-K131 PolarHBondContact OE2-NZ 3.25Å
106E95.6Very high95.3Very high110 Ų11065.7 Ų65.751%0.51433%0.33SS..Hα-helixtrans-57.9-44.3173.4-60.473.3-163.900110.6A104 V108 L109 E110 M128A104-E106 VanDerWaalsContact C-N 3.29Å; E106-V108 VanDerWaalsContact C-N 3.34Å; E106-V108 PolarHBondContact O-N 3.02Å; E106-L109 WeakPolarHBondContact O-CB 2.95Å; E106-L109 PolarHBondContact O-N 3.4Å; E106-E110 WeakPolarHBondContact O-CG 3.44Å; E106-E110 PolarHBondContact O-N 3.36Å; E106-M128 HydrophobicContact CG-CE 3.78Å
107G96.6Very high95.3Very high12 Ų1258.6 Ų58.612%0.12430%0.299CS..Hα-helixtrans-65.7-37.2177.700000112.7A104 E105 L109 E111A104-G107 PolarHBondContact O-N 2.72Å; E105-G107 VanDerWaalsContact C-N 3.31Å; E105-G107 PolarHBondContact O-N 3.17Å; G107-L109 VanDerWaalsContact C-N 3.34Å; G107-E111 PolarHBondContact O-N 2.96Å
108V97.4Very high95.3Very high0 Ų058.7 Ų58.70%031%0.309CS..Hα-helixtrans-69.5-35.5174.5-172.90000111.1Y84 P87 I88 L99 M103 A104 E105 E106 E111 A112 I124Y84-V108 HydrophobicContact CD1-CG2 3.72Å; P87-V108 HydrophobicContact CB-CG1 3.99Å; P87-V108 HydrophobicContact CG-CG2 4.27Å; I88-V108 HydrophobicContact CD1-CG1 3.83Å; L99-V108 HydrophobicContact CD1-CG2 4.41Å; L99-V108 HydrophobicContact CD2-CB 4.41Å; L99-V108 HydrophobicContact CD2-CG1 4.13Å; L99-V108 HydrophobicContact CD2-CG2 3.76Å; M103-V108 HydrophobicContact CG-CG2 4.02Å; M103-V108 HydrophobicContact SD-CG2 3.76Å; A104-V108 PolarHBondContact O-N 3.31Å; E105-V108 PolarHBondContact O-N 3.25Å; E106-V108 VanDerWaalsContact C-N 3.34Å; E106-V108 PolarHBondContact O-N 3.02Å; V108-E111 PolarHBondContact O-N 3.15Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 3.17Å; V108-I124 HydrophobicContact CB-CD1 4.37Å; V108-I124 HydrophobicContact CG1-CD1 3.79Å
109L97.8Very high95.4Very high22 Ų2257.4 Ų57.412%0.11530%0.302CS..Hα-helixtrans-62.3-47.8176.1-177.558.4000111.3E105 E106 G107 E111 A112 E113 I121 I124 K125 M128E105-L109 WeakPolarHBondContact O-CB 3.48Å; E105-L109 PolarHBondContact O-N 3.31Å; E106-L109 WeakPolarHBondContact O-CB 2.95Å; E106-L109 PolarHBondContact O-N 3.4Å; G107-L109 VanDerWaalsContact C-N 3.34Å; L109-E111 VanDerWaalsContact C-N 3.32Å; L109-E111 PolarHBondContact O-N 3.15Å; L109-A112 PolarHBondContact O-N 3.5Å; L109-A112 VanDerWaalsContact O-N 3.12Å; L109-E113 HydrophobicContact CD1-CG 4.36Å; L109-E113 WeakPolarHBondContact O-CG 3.43Å; L109-E113 PolarHBondContact O-N 3.28Å; L109-I121 HydrophobicContact CD1-CG2 4.07Å; L109-I124 HydrophobicContact CB-CG2 3.89Å; L109-I124 HydrophobicContact CD1-CB 4.15Å; L109-I124 HydrophobicContact CD1-CG2 4.05Å; L109-I124 HydrophobicContact CG-CG2 4.41Å; L109-K125 HydrophobicContact CD1-CG 4.07Å; L109-K125 HydrophobicContact CD2-CG 4.23Å; L109-M128 HydrophobicContact CD2-SD 3.97Å
110E98Very high95.6Very high113 Ų11356.2 Ų56.253%0.52830%0.296SS..Hα-helixtrans-55.9-45176.4-72.5-66.9148.300111.8E106 E113 F114E106-E110 WeakPolarHBondContact O-CG 3.44Å; E106-E110 PolarHBondContact O-N 3.36Å; E110-E113 PolarHBondContact O-N 3.4Å; E110-F114 WeakPolarHBondContact O-CB 3.5Å; E110-F114 PolarHBondContact O-N 3.45Å
111E97.9Very high95.8Very high5 Ų551.8 Ų51.82%0.02327%0.272CS..Hα-helixtrans-66.3-42.4174.9-69.1-50.112100112.3R80 I88 G107 V108 L109 E113 F114 Y115R80-E111 WeakPolarHBondContact CB-OE2 3.32Å; R80-E111 IonicContact CZ-OE1 3.18Å; R80-E111 IonicContact NE-OE1 2.95Å; R80-E111 PolarHBondContact NE-OE1 3.18Å; R80-E111 IonicContact NE-OE2 3.32Å; R80-E111 PolarHBondContact NE-OE2 3.31Å; R80-E111 IonicContact NH2-OE1 2.67Å; R80-E111 PolarHBondContact NH2-OE1 3.22Å; I88-E111 HydrophobicContact CD1-CB 4.12Å; I88-E111 HydrophobicContact CG1-CB 3.99Å; G107-E111 PolarHBondContact O-N 2.96Å; V108-E111 PolarHBondContact O-N 3.15Å; L109-E111 VanDerWaalsContact C-N 3.32Å; L109-E111 PolarHBondContact O-N 3.15Å; E111-E113 VanDerWaalsContact C-N 3.25Å; E111-E113 PolarHBondContact O-N 2.94Å; E111-F114 PolarHBondContact O-N 3.31Å; E111-Y115 HydrophobicContact CB-CD2 4.24Å; E111-Y115 HydrophobicContact CB-CE2 3.99Å; E111-Y115 HydrophobicContact CG-CE2 4.48Å; E111-Y115 WeakPolarHBondContact O-CD2 3.19Å; E111-Y115 PolarHBondContact O-N 2.95Å; E111-Y115 WeakPolarHBondContact OE2-CE2 3.14Å; E111-Y115 PolarHBondContact OE2-OH 3.02Å
112A97.7Very high96.2Very high0 Ų049.9 Ų49.90%026%0.259CS..Hα-helixtrans-60.8-37.1178.600000112I88 V108 L109 N116 I117 L120 I121 I124I88-A112 HydrophobicContact CD1-CB 3.92Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 3.17Å; L109-A112 PolarHBondContact O-N 3.5Å; L109-A112 VanDerWaalsContact O-N 3.12Å; A112-N116 PolarHBondContact O-N 3.18Å; A112-N116 VanDerWaalsContact O-N 3.12Å; A112-I117 PolarHBondContact O-N 3.41Å; A112-L120 HydrophobicContact CB-CD2 4.01Å; A112-L120 HydrophobicContact CB-CG 4.03Å; A112-I121 HydrophobicContact CB-CG1 3.85Å; A112-I124 HydrophobicContact CB-CD1 3.97Å
113E97.4Very high96.5Very high75 Ų7545.1 Ų45.135%0.3523%0.233SC..Hα-helixtrans-69-44.9173.9-69.9-170.1164.300111.7L109 E110 E111 Y115 N116 I121 K125L109-E113 HydrophobicContact CD1-CG 4.36Å; L109-E113 WeakPolarHBondContact O-CG 3.43Å; L109-E113 PolarHBondContact O-N 3.28Å; E110-E113 PolarHBondContact O-N 3.4Å; E111-E113 VanDerWaalsContact C-N 3.25Å; E111-E113 PolarHBondContact O-N 2.94Å; E113-Y115 PolarHBondContact O-N 3.01Å; E113-N116 WeakPolarHBondContact O-CA 3.3Å; E113-N116 PolarHBondContact O-N 3.26Å; E113-I121 HydrophobicContact CB-CD1 4.49Å; E113-I121 HydrophobicContact CG-CD1 3.97Å; E113-I121 HydrophobicContact CG-CG1 3.99Å; E113-I121 HydrophobicContact CG-CG2 4.22Å; E113-K125 WeakPolarHBondContact OE1-CE 3.44Å; E113-K125 IonicContact OE1-NZ 2.79Å; E113-K125 PolarHBondContact OE1-NZ 3.1Å
114F96.9Very high96.7Very high85 Ų8543.4 Ų43.437%0.37323%0.225SC..Hα-helixtrans-57.6-49.9175.5175.5-95.2000112.5F56 I78 R80 E110 E111 N116F56-F114 HydrophobicContact CD1-CE1 4.45Å; I78-F114 HydrophobicContact CG2-CE1 4.36Å; R80-F114 HydrophobicContact CG-CD1 3.81Å; R80-F114 HydrophobicContact CG-CE1 3.5Å; R80-F114 VanDerWaalsContact CG-CE1 3.5Å; R80-F114 HydrophobicContact CG-CE2 4.31Å; R80-F114 HydrophobicContact CG-CG 4.35Å; R80-F114 HydrophobicContact CG-CZ 3.78Å; E110-F114 WeakPolarHBondContact O-CB 3.5Å; E110-F114 PolarHBondContact O-N 3.45Å; E111-F114 PolarHBondContact O-N 3.31Å; F114-N116 PolarHBondContact O-N 3.1Å
115Y96Very high96.7Very high0 Ų045.5 Ų45.50%023%0.226CC..THydrogen-bonded Turntrans-74.5-7.6177.9-62.3-64.6000113.2S55 F56 L57 I78 F85 I88 E111 E113S55-Y115 CarbonylContact C-O 3.5Å; S55-Y115 WeakPolarHBondContact CA-O 3.45Å; S55-Y115 WeakPolarHBondContact CB-O 3.28Å; F56-Y115 AromaticContact CD1-CD1 3.91Å; F56-Y115 HydrophobicContact CD1-CD1 3.91Å; F56-Y115 HydrophobicContact CD1-CE1 4.22Å; F56-Y115 PolarHBondContact N-O 3.49Å; L57-Y115 HydrophobicContact CD1-CD1 4.05Å; L57-Y115 HydrophobicContact CD1-CG 4.22Å; L57-Y115 HydrophobicContact CD2-CD1 3.86Å; L57-Y115 HydrophobicContact CD2-CE1 4.01Å; L57-Y115 HydrophobicContact CG-CD1 3.74Å; L57-Y115 HydrophobicContact CG-CE1 4.39Å; L57-Y115 HydrophobicContact CG-CG 4.33Å; I78-Y115 HydrophobicContact CD1-CE1 4.46Å; I78-Y115 HydrophobicContact CG2-CE1 4.23Å; F85-Y115 HydrophobicContact CD2-CD2 4.37Å; F85-Y115 HydrophobicContact CD2-CE1 4.36Å; F85-Y115 AromaticContact CD2-CE2 3.55Å; F85-Y115 HydrophobicContact CD2-CE2 3.55Å; F85-Y115 AromaticContact CD2-CZ 3.55Å; F85-Y115 HydrophobicContact CE2-CD2 4.45Å; F85-Y115 HydrophobicContact CE2-CE1 4.03Å; F85-Y115 AromaticContact CE2-CE2 3.9Å; F85-Y115 HydrophobicContact CE2-CE2 3.9Å; F85-Y115 AromaticContact CE2-CZ 3.68Å; I88-Y115 HydrophobicContact CG1-CD2 4.28Å; I88-Y115 HydrophobicContact CG2-CD2 3.89Å; I88-Y115 HydrophobicContact CG2-CG 4.45Å; E111-Y115 HydrophobicContact CB-CD2 4.24Å; E111-Y115 HydrophobicContact CB-CE2 3.99Å; E111-Y115 HydrophobicContact CG-CE2 4.48Å; E111-Y115 WeakPolarHBondContact O-CD2 3.19Å; E111-Y115 PolarHBondContact O-N 2.95Å; E111-Y115 WeakPolarHBondContact OE2-CE2 3.14Å; E111-Y115 PolarHBondContact OE2-OH 3.02Å; E113-Y115 PolarHBondContact O-N 3.01Å
116N96.4Very high96.6Very high85 Ų8549 Ų4946%0.45525%0.246SC..THydrogen-bonded Turntrans57.156.4-178.1-157.1-90.4000113.3A112 E113 F114A112-N116 PolarHBondContact O-N 3.18Å; A112-N116 VanDerWaalsContact O-N 3.12Å; E113-N116 WeakPolarHBondContact O-CA 3.3Å; E113-N116 PolarHBondContact O-N 3.26Å; F114-N116 PolarHBondContact O-N 3.1Å
117I97.1Very high96.4Very high0 Ų047.9 Ų47.90%024%0.237CC..  trans-103.381.3179.2-57.4165.4000109.2I88 F91 L92 A112 L120 I121I88-I117 HydrophobicContact CG2-CD1 3.22Å; F91-I117 HydrophobicContact CD1-CG2 3.89Å; F91-I117 HydrophobicContact CE1-CG2 3.72Å; L92-I117 HydrophobicContact CD1-CD1 4.21Å; L92-I117 HydrophobicContact CD2-CD1 4.17Å; L92-I117 HydrophobicContact CD2-CG2 4.45Å; L92-I117 HydrophobicContact CG-CD1 4.27Å; A112-I117 PolarHBondContact O-N 3.41Å; I117-L120 HydrophobicContact CB-CB 4.1Å; I117-L120 HydrophobicContact CG2-CB 3.56Å; I117-L120 HydrophobicContact CG2-CD2 4.37Å; I117-L120 WeakPolarHBondContact O-CB 3.36Å; I117-L120 PolarHBondContact O-N 3.27Å; I117-I121 WeakPolarHBondContact O-CG1 3.44Å; I117-I121 PolarHBondContact O-N 3Å
118G96.5Very high96.1Very high38 Ų3849 Ų4939%0.39224%0.239SC..Hα-helixtrans-46.8-51.5-174.500000115.5L120 I121 R122G118-L120 VanDerWaalsContact C-N 3.27Å; G118-L120 PolarHBondContact O-N 3.49Å; G118-I121 PolarHBondContact O-N 2.73Å; G118-R122 PolarHBondContact O-N 2.94Å
119P96.5Very high95.6Very high55 Ų5555.4 Ų55.436%0.35727%0.269SS..Hα-helixtrans-60.1-35.8179-26.235.9000113.5E52 F91 I123E52-P119 WeakPolarHBondContact OE2-CD 3.37Å; F91-P119 HydrophobicContact CE1-CB 4.44Å; F91-P119 HydrophobicContact CZ-CB 4.04Å; P119-I123 WeakPolarHBondContact O-CD1 3.38Å; P119-I123 VanDerWaalsContact O-CG1 3.26Å; P119-I123 WeakPolarHBondContact O-CG1 3.45Å; P119-I123 PolarHBondContact O-N 3.18Å
120L97.1Very high94.7Very high0 Ų061 Ų610%030%0.295CS..Hα-helixtrans-73.9-43.4-180178.856.4000111.5I88 F91 L97 A112 I117 G118 R122 I123 I124I88-L120 HydrophobicContact CD1-CD2 3.53Å; F91-L120 HydrophobicContact CB-CD1 4.32Å; F91-L120 HydrophobicContact CB-CD2 4Å; F91-L120 HydrophobicContact CD1-CB 3.87Å; F91-L120 HydrophobicContact CD1-CD1 4.46Å; F91-L120 HydrophobicContact CD1-CD2 4.04Å; F91-L120 HydrophobicContact CD1-CG 4.35Å; F91-L120 HydrophobicContact CD2-CB 4.43Å; F91-L120 HydrophobicContact CD2-CD1 3.79Å; F91-L120 HydrophobicContact CE1-CB 3.79Å; F91-L120 HydrophobicContact CE2-CB 4.37Å; F91-L120 HydrophobicContact CE2-CD1 4.23Å; F91-L120 HydrophobicContact CG-CB 4.19Å; F91-L120 HydrophobicContact CG-CD1 3.92Å; F91-L120 HydrophobicContact CG-CD2 3.98Å; F91-L120 HydrophobicContact CG-CG 4.26Å; F91-L120 HydrophobicContact CZ-CB 4.05Å; L97-L120 HydrophobicContact CB-CD1 4.28Å; L97-L120 HydrophobicContact CD1-CD1 3.88Å; L97-L120 HydrophobicContact CD2-CD1 4.5Å; L97-L120 HydrophobicContact CG-CD1 4.44Å; A112-L120 HydrophobicContact CB-CD2 4.01Å; A112-L120 HydrophobicContact CB-CG 4.03Å; I117-L120 HydrophobicContact CB-CB 4.1Å; I117-L120 HydrophobicContact CG2-CB 3.56Å; I117-L120 HydrophobicContact CG2-CD2 4.37Å; I117-L120 WeakPolarHBondContact O-CB 3.36Å; I117-L120 PolarHBondContact O-N 3.27Å; G118-L120 VanDerWaalsContact C-N 3.27Å; G118-L120 PolarHBondContact O-N 3.49Å; L120-R122 PolarHBondContact O-N 3.36Å; L120-I123 PolarHBondContact O-N 2.98Å; L120-I123 VanDerWaalsContact O-N 3.15Å; L120-I124 HydrophobicContact CD1-CD1 3.84Å; L120-I124 HydrophobicContact CD1-CG1 4.03Å; L120-I124 HydrophobicContact CG-CD1 3.8Å; L120-I124 HydrophobicContact CG-CG1 4.42Å; L120-I124 WeakPolarHBondContact O-CG1 3.4Å; L120-I124 PolarHBondContact O-N 3.09Å
121I97.3Very high93.5Very high27 Ų2759.8 Ų59.814%0.13829%0.288CS..Hα-helixtrans-53.4-46.1175.3-64.4163.1000110L109 A112 E113 I117 G118 I124 K125L109-I121 HydrophobicContact CD1-CG2 4.07Å; A112-I121 HydrophobicContact CB-CG1 3.85Å; E113-I121 HydrophobicContact CB-CD1 4.49Å; E113-I121 HydrophobicContact CG-CD1 3.97Å; E113-I121 HydrophobicContact CG-CG1 3.99Å; E113-I121 HydrophobicContact CG-CG2 4.22Å; I117-I121 WeakPolarHBondContact O-CG1 3.44Å; I117-I121 PolarHBondContact O-N 3Å; G118-I121 PolarHBondContact O-N 2.73Å; I121-I124 PolarHBondContact O-N 3.34Å; I121-K125 HydrophobicContact CG2-CD 4.14Å; I121-K125 WeakPolarHBondContact O-CG 3.34Å; I121-K125 PolarHBondContact O-N 3.45Å
122R96.6Very high91.9Very high168 Ų16864.4 Ų64.463%0.63431%0.312SS*.Hα-helixtrans-61.5-49.4178-171.3178.168.1-1772.6112G118 L120 I124 K125 D126G118-R122 PolarHBondContact O-N 2.94Å; L120-R122 PolarHBondContact O-N 3.36Å; R122-I124 VanDerWaalsContact C-N 3.27Å; R122-I124 PolarHBondContact O-N 3.17Å; R122-K125 PolarHBondContact O-N 3.2Å; R122-D126 WeakPolarHBondContact O-CB 3.4Å; R122-D126 PolarHBondContact O-N 3.04Å
123I96.3Very high89.9Confident65 Ų6569.2 Ų69.233%0.33333%0.331SS..Hα-helixtrans-58.6-40.1179.9-67.8163.9000111.4F91 L97 P119 L120 R127F91-I123 HydrophobicContact CE2-CD1 3.79Å; F91-I123 HydrophobicContact CZ-CD1 4.27Å; L97-I123 HydrophobicContact CB-CG2 4.04Å; L97-I123 HydrophobicContact CD2-CG2 3.8Å; P119-I123 WeakPolarHBondContact O-CD1 3.38Å; P119-I123 VanDerWaalsContact O-CG1 3.26Å; P119-I123 WeakPolarHBondContact O-CG1 3.45Å; P119-I123 PolarHBondContact O-N 3.18Å; L120-I123 PolarHBondContact O-N 2.98Å; L120-I123 VanDerWaalsContact O-N 3.15Å; I123-R127 WeakPolarHBondContact O-CB 3.38Å; I123-R127 PolarHBondContact O-N 3.24Å; I123-R127 VanDerWaalsContact O-N 3.15Å
124I95.7Very high88.1Confident0 Ų070 Ų700%034%0.342CS..Hα-helixtrans-69.2-46.2179.6-62.8164.9000110.5L97 V108 L109 A112 L120 I121 R122 D126 R127 M128L97-I124 HydrophobicContact CD1-CG1 4.48Å; L97-I124 HydrophobicContact CD2-CG1 3.65Å; V108-I124 HydrophobicContact CB-CD1 4.37Å; V108-I124 HydrophobicContact CG1-CD1 3.79Å; L109-I124 HydrophobicContact CB-CG2 3.89Å; L109-I124 HydrophobicContact CD1-CB 4.15Å; L109-I124 HydrophobicContact CD1-CG2 4.05Å; L109-I124 HydrophobicContact CG-CG2 4.41Å; A112-I124 HydrophobicContact CB-CD1 3.97Å; L120-I124 HydrophobicContact CD1-CD1 3.84Å; L120-I124 HydrophobicContact CD1-CG1 4.03Å; L120-I124 HydrophobicContact CG-CD1 3.8Å; L120-I124 HydrophobicContact CG-CG1 4.42Å; L120-I124 WeakPolarHBondContact O-CG1 3.4Å; L120-I124 PolarHBondContact O-N 3.09Å; I121-I124 PolarHBondContact O-N 3.34Å; R122-I124 VanDerWaalsContact C-N 3.27Å; R122-I124 PolarHBondContact O-N 3.17Å; I124-D126 PolarHBondContact O-N 3.34Å; I124-R127 PolarHBondContact O-N 3.31Å; I124-M128 HydrophobicContact CG2-CG 4.31Å; I124-M128 HydrophobicContact CG2-SD 3.84Å; I124-M128 WeakPolarHBondContact O-CG 3.21Å; I124-M128 PolarHBondContact O-N 2.75Å
125K95.1Very high86.3Confident83 Ų8371.8 Ų71.836%0.36136%0.359SS..Hα-helixtrans-60.3-47.3178.2-71.9-176.3-178.6-179.30112L109 E113 I121 R122 R127 M128 E129L109-K125 HydrophobicContact CD1-CG 4.07Å; L109-K125 HydrophobicContact CD2-CG 4.23Å; E113-K125 WeakPolarHBondContact OE1-CE 3.44Å; E113-K125 IonicContact OE1-NZ 2.79Å; E113-K125 PolarHBondContact OE1-NZ 3.1Å; I121-K125 HydrophobicContact CG2-CD 4.14Å; I121-K125 WeakPolarHBondContact O-CG 3.34Å; I121-K125 PolarHBondContact O-N 3.45Å; R122-K125 PolarHBondContact O-N 3.2Å; K125-R127 VanDerWaalsContact C-N 3.27Å; K125-R127 PolarHBondContact O-N 3.17Å; K125-M128 PolarHBondContact O-N 2.63Å; K125-E129 WeakPolarHBondContact O-CG 3.41Å; K125-E129 PolarHBondContact O-N 3.4Å
126D93.7Very high84.4Confident86 Ų8676.5 Ų76.546%0.4639%0.388SS..Hα-helixtrans-58.6-40.5177.3-62.5-12.5000111.2R122 I124 E130R122-D126 WeakPolarHBondContact O-CB 3.4Å; R122-D126 PolarHBondContact O-N 3.04Å; I124-D126 PolarHBondContact O-N 3.34Å; D126-E130 PolarHBondContact O-N 2.86Å; D126-E130 VanDerWaalsContact O-N 3.17Å
127R90.9Very high82.6Confident86 Ų8678 Ų7833%0.32539%0.392SS..Hα-helixtrans-68.5-37.7178.2-175-178-176.1-160.2-8.2112.9E105 I123 I124 K125 K131E105-R127 IonicContact OE1-CZ 3.12Å; E105-R127 IonicContact OE1-NE 3.41Å; E105-R127 PolarHBondContact OE1-NE 3.35Å; E105-R127 VanDerWaalsContact OE1-NE 3.12Å; E105-R127 IonicContact OE1-NH1 3.17Å; E105-R127 PolarHBondContact OE1-NH1 3.33Å; E105-R127 IonicContact OE1-NH2 2.96Å; E105-R127 PolarHBondContact OE1-NH2 2.95Å; E105-R127 VanDerWaalsContact OE1-NH2 3.17Å; I123-R127 WeakPolarHBondContact O-CB 3.38Å; I123-R127 PolarHBondContact O-N 3.24Å; I123-R127 VanDerWaalsContact O-N 3.15Å; I124-R127 PolarHBondContact O-N 3.31Å; K125-R127 VanDerWaalsContact C-N 3.27Å; K125-R127 PolarHBondContact O-N 3.17Å; R127-K131 PolarHBondContact O-N 2.79Å
128M89.5Confident80.8Confident37 Ų3782.8 Ų82.818%0.18242%0.421CS..Hα-helixtrans-68.2-42.4177.5-70174.771.200111E105 E106 L109 I124 K125 E130 K131 D132E105-M128 HydrophobicContact CB-CG 4.27Å; E105-M128 HydrophobicContact CB-SD 4.4Å; E106-M128 HydrophobicContact CG-CE 3.78Å; L109-M128 HydrophobicContact CD2-SD 3.97Å; I124-M128 HydrophobicContact CG2-CG 4.31Å; I124-M128 HydrophobicContact CG2-SD 3.84Å; I124-M128 WeakPolarHBondContact O-CG 3.21Å; I124-M128 PolarHBondContact O-N 2.75Å; K125-M128 PolarHBondContact O-N 2.63Å; M128-E130 VanDerWaalsContact C-N 3.33Å; M128-E130 PolarHBondContact O-N 2.67Å; M128-K131 PolarHBondContact O-N 2.95Å; M128-D132 PolarHBondContact O-N 2.91Å
129E86.6Confident79.4Confident134 Ų13485.9 Ų85.963%0.62643%0.434SS*.Hα-helixtrans-61.5-38.3175.9-70.9176.9-171.300112.5K125 D132 Y133K125-E129 WeakPolarHBondContact O-CG 3.41Å; K125-E129 PolarHBondContact O-N 3.4Å; E129-D132 PolarHBondContact O-N 3.04Å; E129-Y133 PolarHBondContact O-N 3.21Å; E129-Y133 VanDerWaalsContact O-N 3.1Å
130E80.2Confident78.3Confident140 Ų14086.3 Ų86.365%0.65444%0.437SS*.Hα-helixtrans-63.8-39.5175.3-174.3178.4-16400112.1D126 M128 Y133 T134D126-E130 PolarHBondContact O-N 2.86Å; D126-E130 VanDerWaalsContact O-N 3.17Å; M128-E130 VanDerWaalsContact C-N 3.33Å; M128-E130 PolarHBondContact O-N 2.67Å; E130-Y133 WeakPolarHBondContact O-CB 3.42Å; E130-Y133 PolarHBondContact O-N 2.97Å; E130-T134 PolarHBondContact O-N 3Å
131K72.2Confident77.6Confident87 Ų8792.6 Ų92.638%0.37846%0.464SS..Hα-helixtrans-67.9-43.6176.8-73.5179.5178.1178.40112E105 R127 M128 Y133 T134 V135E105-K131 IonicContact OE1-NZ 2.63Å; E105-K131 PolarHBondContact OE1-NZ 3Å; E105-K131 WeakPolarHBondContact OE2-CE 3.29Å; E105-K131 IonicContact OE2-NZ 2.75Å; E105-K131 PolarHBondContact OE2-NZ 3.25Å; R127-K131 PolarHBondContact O-N 2.79Å; M128-K131 PolarHBondContact O-N 2.95Å; K131-Y133 PolarHBondContact O-N 3.22Å; K131-T134 PolarHBondContact O-N 3.47Å; K131-T134 PolarHBondContact O-OG1 3.3Å; K131-V135 WeakPolarHBondContact O-CG2 3.45Å; K131-V135 PolarHBondContact O-N 3.32Å; K131-V135 VanDerWaalsContact O-N 3.1Å
132D64.8Low77.2Confident101 Ų10194.7 Ų94.754%0.5447%0.473SS..Hα-helixtrans-60.3-33.1177.1-73.3-20.4000111.4M128 E129 V135 T136M128-D132 PolarHBondContact O-N 2.91Å; E129-D132 PolarHBondContact O-N 3.04Å; D132-V135 PolarHBondContact O-N 3.05Å; D132-T136 VanDerWaalsContact O-CB 3.29Å; D132-T136 WeakPolarHBondContact O-CB 3.14Å; D132-T136 PolarHBondContact O-N 2.98Å; D132-T136 PolarHBondContact O-OG1 2.95Å
133Y56.1Low77.1Confident102 Ų10289.6 Ų89.640%0.446%0.461SS..Hα-helixtrans-65-38173.5-178.1-104.8000113.4E129 E130 K131 Q137 P199E129-Y133 PolarHBondContact O-N 3.21Å; E129-Y133 VanDerWaalsContact O-N 3.1Å; E130-Y133 WeakPolarHBondContact O-CB 3.42Å; E130-Y133 PolarHBondContact O-N 2.97Å; K131-Y133 PolarHBondContact O-N 3.22Å; Y133-Q137 VanDerWaalsContact CE1-NE2 3.33Å; Y133-P199 HydrophobicContact CD2-CG 4.18Å; Y133-P199 HydrophobicContact CE2-CG 3.29Å; Y133-P199 VanDerWaalsContact OH-CD 3.27Å; Y133-P199 WeakPolarHBondContact OH-CD 3.49Å
134T58.9Low77Confident92 Ų9293.1 Ų93.156%0.56447%0.471SS*.Hα-helixtrans-71.6-33176.964.20000112.8E130 K131 Q137E130-T134 PolarHBondContact O-N 3Å; K131-T134 PolarHBondContact O-N 3.47Å; K131-T134 PolarHBondContact O-OG1 3.3Å; T134-Q137 WeakPolarHBondContact O-CG 3.36Å
135V58.1Low77Confident121 Ų121100 Ų10073%0.73350%0.497SS*.Hα-helixtrans-79.4-32-179.5176.30000111.6K131 D132 Q137K131-V135 WeakPolarHBondContact O-CG2 3.45Å; K131-V135 PolarHBondContact O-N 3.32Å; K131-V135 VanDerWaalsContact O-N 3.1Å; D132-V135 PolarHBondContact O-N 3.05Å; V135-Q137 PolarHBondContact O-N 3.04Å
136T56.4Low77Confident100 Ų100100.4 Ų100.461%0.61351%0.506SS*.THydrogen-bonded Turntrans-94.721.2-176.7-400000113.1D132 V138D132-T136 VanDerWaalsContact O-CB 3.29Å; D132-T136 WeakPolarHBondContact O-CB 3.14Å; D132-T136 PolarHBondContact O-N 2.98Å; D132-T136 PolarHBondContact O-OG1 2.95Å; T136-V138 PolarHBondContact O-N 3.24Å
137Q58.7Low77Confident115 Ų11599.1 Ų99.154%0.53750%0.499SS..  trans-54.6104175.3-72.6-77.9-34.900109.6Y133 T134 V135Y133-Q137 VanDerWaalsContact CE1-NE2 3.33Å; T134-Q137 WeakPolarHBondContact O-CG 3.36Å; V135-Q137 PolarHBondContact O-N 3.04Å
138V59.8Low77.1Confident102 Ų102101.2 Ų101.262%0.61851%0.512SS*.PPolyproline II helixtrans-57.6135.6166.1-1790000106.1T136T136-V138 PolarHBondContact O-N 3.24Å
139P67.8Low77.2Confident102 Ų10299.8 Ų99.866%0.66251%0.506SS*.PPolyproline II helixtrans-46.3138.9176.9-27.232.6000110.6K141P139-K141 PolarHBondContact O-N 2.96Å
140P73Confident77.3Confident65 Ų6596.4 Ų96.442%0.42249%0.49SS..PPolyproline II helixtrans-49.2133.8179.8-24.131.2000109.6H142 E194P140-H142 PolarHBondContact O-N 3.11Å; P140-H142 PolarHBondContact O-ND1 3.37Å; P140-H142 VanDerWaalsContact O-ND1 3.08Å; P140-E194 HydrophobicContact CB-CG 4.43Å
141K82Confident77.8Confident131 Ų13195.1 Ų95.157%0.5748%0.484SS*.EExtended strand (participates in β ladder)trans-75.5116177.2-70179-179.4174.60107.7P139 L195P139-K141 PolarHBondContact O-N 2.96Å; K141-L195 HydrophobicContact CB-CB 4.35Å; K141-L195 PolarHBondContact N-O 2.92Å; K141-L195 WeakPolarHBondContact O-CA 3.47Å; K141-L195 VanDerWaalsContact O-CB 3.24Å; K141-L195 WeakPolarHBondContact O-CB 3.12Å; K141-L195 PolarHBondContact O-N 2.99Å
142H89.2Confident78.7Confident71 Ų7196 Ų9633%0.32949%0.49SS..EExtended strand (participates in β ladder)trans-85.9136.4173.3-64.373.8000111P140 Y144 K193 E194P140-H142 PolarHBondContact O-N 3.11Å; P140-H142 PolarHBondContact O-ND1 3.37Å; P140-H142 VanDerWaalsContact O-ND1 3.08Å; H142-Y144 HydrophobicContact CB-CD2 4.38Å; H142-Y144 HydrophobicContact CB-CE2 3.61Å; H142-K193 WeakPolarHBondContact CA-O 3.48Å; H142-E194 VanDerWaalsContact CD2-CG 3.47Å; H142-E194 WeakPolarHBondContact CD2-CG 3.39Å; H142-E194 WeakPolarHBondContact NE2-CG 3.35Å; H142-E194 IonicContact NE2-OE1 2.79Å; H142-E194 PolarHBondContact NE2-OE1 3.29Å
143V93.6Very high79.9Confident61 Ų6195.8 Ų95.837%0.3749%0.486SS..EExtended strand (participates in β ladder)trans-103.2131.6165.4174.10000108.5W165 S192 K193 L195V143-W165 HydrophobicContact CG1-CH2 4.26Å; V143-S192 CarbonylContact O-C 3.57Å; V143-S192 VanDerWaalsContact O-CA 3.25Å; V143-S192 WeakPolarHBondContact O-CA 3.31Å; V143-K193 PolarHBondContact N-O 2.97Å; V143-K193 PolarHBondContact O-N 2.77Å; V143-L195 HydrophobicContact CG2-CD1 3.42Å; V143-L195 VanDerWaalsContact CG2-CD1 3.42Å; V143-L195 HydrophobicContact CG2-CD2 4.36Å; V143-L195 HydrophobicContact CG2-CG 3.81Å
144Y95.3Very high81.5Confident139 Ų13992.5 Ų92.555%0.54548%0.475SS..EExtended strand (participates in β ladder)trans-106.5142.8178-63.6-93.1000111H142 E168 V190 V191H142-Y144 HydrophobicContact CB-CD2 4.38Å; H142-Y144 HydrophobicContact CB-CE2 3.61Å; Y144-E168 HydrophobicContact CE1-CG 4.23Å; Y144-V190 HydrophobicContact CD1-CG1 4.22Å; Y144-V191 CarbonylContact C-O 3.57Å; Y144-V191 VanDerWaalsContact CA-O 3.29Å; Y144-V191 WeakPolarHBondContact CA-O 3.46Å
145R95Very high83.1Confident145 Ų14593.2 Ų93.255%0.54748%0.479SS..EExtended strand (participates in β ladder)trans-127.5150.8166.6-81.8-175.3158.1160.4-14.4109.7W165 V190 V191R145-W165 HydrophobicContact CB-CH2 4.04Å; R145-W165 HydrophobicContact CB-CZ3 3.78Å; R145-W165 HydrophobicContact CG-CH2 3.48Å; R145-W165 VanDerWaalsContact CG-CH2 3.48Å; R145-W165 HydrophobicContact CG-CZ2 4.36Å; R145-W165 HydrophobicContact CG-CZ3 3.77Å; R145-V190 WeakPolarHBondContact O-CA 3.35Å; R145-V191 HydrophobicContact CB-CG2 3.69Å; R145-V191 PolarHBondContact N-O 2.92Å; R145-V191 PolarHBondContact O-N 3.46Å
146V95.3Very high84.8Confident91 Ų9193.9 Ų93.955%0.55247%0.474SS*.EExtended strand (participates in β ladder)trans-115.4121.2171.2-174.90000107L188 C189 V190V146-L188 HydrophobicContact CG1-CB 3.85Å; V146-L188 HydrophobicContact CG1-CD1 4.31Å; V146-L188 HydrophobicContact CG1-CD2 4.13Å; V146-L188 HydrophobicContact CG1-CG 4.3Å; V146-C189 WeakPolarHBondContact CA-O 3.43Å; V146-V190 HydrophobicContact CG2-CG2 4.42Å
147L94.4Very high86.4Confident60 Ų6090.6 Ų90.631%0.31445%0.452SS..EExtended strand (participates in β ladder)trans-108.2131178.2-54.1177.8000108.2M157 L188 C189 V191L147-M157 HydrophobicContact CB-SD 3.83Å; L147-M157 HydrophobicContact CD1-CG 4.49Å; L147-M157 HydrophobicContact CD1-SD 4.18Å; L147-L188 CarbonylContact O-C 3.53Å; L147-L188 WeakPolarHBondContact O-CA 3.2Å; L147-C189 HydrophobicContact CB-CB 4.33Å; L147-C189 PolarHBondContact N-O 3.27Å; L147-C189 PolarHBondContact O-N 3Å; L147-V191 HydrophobicContact CD1-CG1 4.41Å; L147-V191 HydrophobicContact CD1-CG2 4.26Å; L147-V191 HydrophobicContact CG-CG2 4.37Å
148Q92.7Very high87.8Confident129 Ų12988 Ų8860%0.60344%0.444SS*.EExtended strand (participates in β ladder)trans-97.4135.7174.4-174178.7200108.9E186 F187 L188Q148-E186 PolarHBondContact NE2-OE2 3.2Å; Q148-F187 WeakPolarHBondContact CA-O 3.37Å; Q148-L188 HydrophobicContact CB-CD2 4.02Å; Q148-L188 HydrophobicContact CG-CD2 4.1Å
149C90.7Very high89.3Confident7 Ų787.6 Ų87.65%0.04745%0.446CS..EExtended strand (participates in β ladder)trans-148.9156.117759.60000111M157 F187C149-M157 HydrophobicContact CB-CE 4.38Å; C149-M157 HydrophobicContact CB-SD 3.77Å; C149-M157 VanDerWaalsContact SG-CE 3.51Å; C149-M157 VanDerWaalsContact SG-SD 3.63Å; C149-F187 PolarHBondContact N-O 3.43Å; C149-F187 PolarHBondContact O-N 2.95Å
150Q90.3Very high90.5Very high63 Ų6387.5 Ų87.529%0.29444%0.444SS..EExtended strand (participates in β ladder)trans-82.7161.3169.7-66.2174.5-900110.6E152 E153 L154 Q184Q150-E152 VanDerWaalsContact C-N 3.28Å; Q150-E152 HydrophobicContact CB-CG 4.27Å; Q150-E152 PolarHBondContact O-N 3.45Å; Q150-E152 PolarHBondContact OE1-OE1 3.26Å; Q150-E153 PolarHBondContact O-N 3.21Å; Q150-E153 VanDerWaalsContact O-N 3.09Å; Q150-L154 PolarHBondContact O-N 3.46Å; Q150-L154 VanDerWaalsContact O-N 3.14Å; Q150-Q184 VanDerWaalsContact CD-OE1 3.31Å
151E89.1Confident91.4Very high114 Ų11486.4 Ų86.453%0.53343%0.433SS..Hα-helixtrans-52.8-44.1179.6-170.4172173.900112.6E153 L154 A185 F187E151-E153 VanDerWaalsContact C-N 3.28Å; E151-E153 PolarHBondContact O-N 2.99Å; E151-L154 WeakPolarHBondContact O-CB 3.42Å; E151-L154 PolarHBondContact O-N 2.04Å; E151-A185 HydrophobicContact CB-CB 4.36Å; E151-A185 PolarHBondContact N-O 3.21Å; E151-F187 HydrophobicContact CB-CE2 3.85Å; E151-F187 HydrophobicContact CG-CE2 4.03Å
152E91Very high91.7Very high105 Ų10583.8 Ų83.849%0.49143%0.432SS..Hα-helixtrans-66.2-26.1-179.955.8-100.9-120.700114Q150 Q184Q150-E152 VanDerWaalsContact C-N 3.28Å; Q150-E152 HydrophobicContact CB-CG 4.27Å; Q150-E152 PolarHBondContact O-N 3.45Å; Q150-E152 PolarHBondContact OE1-OE1 3.26Å; E152-Q184 PolarHBondContact OE1-NE2 3.34Å; E152-Q184 PolarHBondContact OE1-OE1 3.2Å
153E91.4Very high91.6Very high97 Ų9786.2 Ų86.245%0.45345%0.447SS..Hα-helixtrans-95.2-12.7-177.6-63.2-174.4160.700112.7Q150 E151 T155 Q156 M157Q150-E153 PolarHBondContact O-N 3.21Å; Q150-E153 VanDerWaalsContact O-N 3.09Å; E151-E153 VanDerWaalsContact C-N 3.28Å; E151-E153 PolarHBondContact O-N 2.99Å; E153-T155 PolarHBondContact O-N 3.43Å; E153-Q156 PolarHBondContact O-N 3.13Å; E153-Q156 VanDerWaalsContact O-N 3.16Å; E153-M157 WeakPolarHBondContact O-CB 3.41Å; E153-M157 PolarHBondContact O-N 3.05Å
154L89.9Confident91.4Very high32 Ų3285.1 Ų85.117%0.16845%0.448CS..Hα-helixtrans-56.1-49.3-171.6176.361.2000112.6Q150 E151 Q156 M157 V158 L170Q150-L154 PolarHBondContact O-N 3.46Å; Q150-L154 VanDerWaalsContact O-N 3.14Å; E151-L154 WeakPolarHBondContact O-CB 3.42Å; E151-L154 PolarHBondContact O-N 2.04Å; L154-Q156 VanDerWaalsContact C-N 3.31Å; L154-Q156 PolarHBondContact O-N 3.36Å; L154-M157 HydrophobicContact CD1-CE 3.79Å; L154-M157 PolarHBondContact O-N 3.35Å; L154-V158 HydrophobicContact CD1-CG2 4.14Å; L154-V158 WeakPolarHBondContact O-CG2 3.34Å; L154-V158 PolarHBondContact O-N 2.91Å; L154-L170 HydrophobicContact CD1-CD1 3.66Å; L154-L170 HydrophobicContact CD1-CD2 4.18Å; L154-L170 HydrophobicContact CD2-CD2 3.72Å
155T91.8Very high91.3Very high108 Ų10880.6 Ų80.666%0.66343%0.43SS*.Hα-helixtrans-63.3-41.2-178.3-58.90000111E153 S159E153-T155 PolarHBondContact O-N 3.43Å; T155-S159 VanDerWaalsContact O-CB 3.27Å; T155-S159 WeakPolarHBondContact O-CB 3.19Å; T155-S159 PolarHBondContact O-N 2.96Å; T155-S159 PolarHBondContact O-OG 3.39Å
156Q92.6Very high91.2Very high134 Ų13480.4 Ų80.463%0.62643%0.429SS*.Hα-helixtrans-65-49.5178.5-174.3176.410.500110.5E153 L154 V158 S159 T160E153-Q156 PolarHBondContact O-N 3.13Å; E153-Q156 VanDerWaalsContact O-N 3.16Å; L154-Q156 VanDerWaalsContact C-N 3.31Å; L154-Q156 PolarHBondContact O-N 3.36Å; Q156-V158 PolarHBondContact O-N 3.46Å; Q156-S159 PolarHBondContact O-N 3.35Å; Q156-S159 VanDerWaalsContact O-N 3.17Å; Q156-T160 HydrophobicContact CG-CG2 4.35Å; Q156-T160 WeakPolarHBondContact O-CG2 3.17Å; Q156-T160 PolarHBondContact O-N 3.38Å; Q156-T160 PolarHBondContact O-OG1 3.24Å
157M91Very high91.1Very high32 Ų3280.8 Ų80.816%0.15842%0.424CS..Hα-helixtrans-58-45.7-179.8178.1-153.860.600112.3L147 C149 E153 L154 S159 M161 C189L147-M157 HydrophobicContact CB-SD 3.83Å; L147-M157 HydrophobicContact CD1-CG 4.49Å; L147-M157 HydrophobicContact CD1-SD 4.18Å; C149-M157 HydrophobicContact CB-CE 4.38Å; C149-M157 HydrophobicContact CB-SD 3.77Å; C149-M157 VanDerWaalsContact SG-CE 3.51Å; C149-M157 VanDerWaalsContact SG-SD 3.63Å; E153-M157 WeakPolarHBondContact O-CB 3.41Å; E153-M157 PolarHBondContact O-N 3.05Å; L154-M157 HydrophobicContact CD1-CE 3.79Å; L154-M157 PolarHBondContact O-N 3.35Å; M157-S159 VanDerWaalsContact C-N 3.35Å; M157-M161 PolarHBondContact O-N 3.23Å; M157-C189 HydrophobicContact CE-CB 3.53Å; M157-C189 HydrophobicContact SD-CB 4.18Å
158V89Confident91.1Very high59 Ų5981.9 Ų81.936%0.35843%0.427SS..Hα-helixtrans-66.7-38.8178.51760000111.1L154 Q156 M161L154-V158 HydrophobicContact CD1-CG2 4.14Å; L154-V158 WeakPolarHBondContact O-CG2 3.34Å; L154-V158 PolarHBondContact O-N 2.91Å; Q156-V158 PolarHBondContact O-N 3.46Å; V158-M161 WeakPolarHBondContact O-CB 3.48Å; V158-M161 PolarHBondContact O-N 3.18Å
159S89.9Confident91.2Very high95 Ų9581.2 Ų81.266%0.66442%0.424SS*.Hα-helixtrans-73.3-31.3-178-57.20000113.2T155 Q156 M157 M161T155-S159 VanDerWaalsContact O-CB 3.27Å; T155-S159 WeakPolarHBondContact O-CB 3.19Å; T155-S159 PolarHBondContact O-N 2.96Å; T155-S159 PolarHBondContact O-OG 3.39Å; Q156-S159 PolarHBondContact O-N 3.35Å; Q156-S159 VanDerWaalsContact O-N 3.17Å; M157-S159 VanDerWaalsContact C-N 3.35Å; S159-M161 VanDerWaalsContact C-N 3.35Å
160T93.1Very high91.4Very high100 Ų10084 Ų8461%0.61344%0.438SS*.THydrogen-bonded Turntrans-95.612.6178.563.20000112.9Q156 S162Q156-T160 HydrophobicContact CG-CG2 4.35Å; Q156-T160 WeakPolarHBondContact O-CG2 3.17Å; Q156-T160 PolarHBondContact O-N 3.38Å; Q156-T160 PolarHBondContact O-OG1 3.24Å; T160-S162 PolarHBondContact O-N 3.07Å
161M91.6Very high91.6Very high42 Ų4283.7 Ų83.721%0.20744%0.44CS..PPolyproline II helixtrans-59.4128.3178-166.4-175.9-5800109.8M157 V158 S159 W165 F167 V191M157-M161 PolarHBondContact O-N 3.23Å; V158-M161 WeakPolarHBondContact O-CB 3.48Å; V158-M161 PolarHBondContact O-N 3.18Å; S159-M161 VanDerWaalsContact C-N 3.35Å; M161-W165 HydrophobicContact CG-CB 3.66Å; M161-W165 HydrophobicContact CG-CG 4.45Å; M161-W165 HydrophobicContact SD-CB 3.4Å; M161-W165 WeakPolarHBondContact SD-CB 3.35Å; M161-F167 HydrophobicContact CE-CB 4.34Å; M161-V191 HydrophobicContact CE-CB 4.46Å; M161-V191 HydrophobicContact CE-CG1 3.39Å; M161-V191 HydrophobicContact SD-CB 4.28Å; M161-V191 HydrophobicContact SD-CG1 3.8Å
162S87.9Confident91.7Very high76 Ų7682.7 Ų82.753%0.53144%0.439SS..PPolyproline II helixtrans-60.4151-178.737.70000113T160 W165T160-S162 PolarHBondContact O-N 3.07Å; S162-W165 PolarHBondContact O-N 3.4Å; S162-W165 VanDerWaalsContact OG-CD1 3.26Å
163D88.6Confident91.5Very high121 Ų12182.1 Ų82.165%0.64744%0.438SS*.THydrogen-bonded Turntrans-53.1137.7-175.5-171.921.6000113.4W165 K193 R208D163-W165 VanDerWaalsContact C-N 3.31Å; D163-W165 PolarHBondContact O-N 3.42Å; D163-K193 PolarHBondContact O-NZ 3.33Å; D163-R208 IonicContact OD2-NH1 3.77Å; D163-R208 IonicContact OD2-NH2 3.5Å; D163-R208 PolarHBondContact OD2-NH2 3.37Å
164G88.7Confident90.6Very high38 Ų3879 Ų7939%0.39243%0.432SS..THydrogen-bonded Turntrans76.24.6-179.600000116.1K193G164-K193 VanDerWaalsContact O-CG 3.28Å; G164-K193 WeakPolarHBondContact O-CG 2.99Å
165W93.6Very high89.5Confident45 Ų4579.9 Ų79.917%0.1744%0.441CS..  trans-87.9137.3165-70.988.9000110.1V143 R145 M161 S162 D163 V191 S192 K193V143-W165 HydrophobicContact CG1-CH2 4.26Å; R145-W165 HydrophobicContact CB-CH2 4.04Å; R145-W165 HydrophobicContact CB-CZ3 3.78Å; R145-W165 HydrophobicContact CG-CH2 3.48Å; R145-W165 VanDerWaalsContact CG-CH2 3.48Å; R145-W165 HydrophobicContact CG-CZ2 4.36Å; R145-W165 HydrophobicContact CG-CZ3 3.77Å; M161-W165 HydrophobicContact CG-CB 3.66Å; M161-W165 HydrophobicContact CG-CG 4.45Å; M161-W165 HydrophobicContact SD-CB 3.4Å; M161-W165 WeakPolarHBondContact SD-CB 3.35Å; S162-W165 PolarHBondContact O-N 3.4Å; S162-W165 VanDerWaalsContact OG-CD1 3.26Å; D163-W165 VanDerWaalsContact C-N 3.31Å; D163-W165 PolarHBondContact O-N 3.42Å; W165-V191 HydrophobicContact CD2-CG2 4.31Å; W165-V191 HydrophobicContact CE3-CB 3.97Å; W165-V191 HydrophobicContact CE3-CG2 3.44Å; W165-V191 VanDerWaalsContact CE3-CG2 3.44Å; W165-V191 HydrophobicContact CZ3-CG2 3.83Å; W165-S192 CarbonylContact C-O 3.57Å; W165-S192 WeakPolarHBondContact CA-O 3.4Å; W165-K193 HydrophobicContact CD2-CB 3.94Å; W165-K193 HydrophobicContact CD2-CD 4.22Å; W165-K193 HydrophobicContact CE3-CB 3.83Å; W165-K193 HydrophobicContact CG-CB 4.48Å; W165-K193 HydrophobicContact CG-CD 4.31Å; W165-K193 HydrophobicContact CH2-CB 4.22Å; W165-K193 HydrophobicContact CZ2-CB 4.36Å; W165-K193 HydrophobicContact CZ2-CD 4.34Å; W165-K193 HydrophobicContact CZ3-CB 3.99Å
166R92.7Very high87.9Confident141 Ų14179.9 Ų79.953%0.53245%0.445SS..EExtended strand (participates in β ladder)trans-112.9133.9179.3-62.7-178.865.8178-1.5108.6V191 S192 E194R166-V191 CarbonylContact O-C 3.56Å; R166-V191 WeakPolarHBondContact O-CA 3.48Å; R166-V191 WeakPolarHBondContact O-CB 3.47Å; R166-S192 PolarHBondContact N-O 2.95Å; R166-S192 PolarHBondContact O-N 3.31Å; R166-E194 IonicContact NH1-OE1 2.95Å; R166-E194 PolarHBondContact NH1-OE1 2.87Å
167F93.4Very high86.3Confident98 Ų9884.6 Ų84.643%0.4346%0.459SS..EExtended strand (participates in β ladder)trans-71.8128.8170174.2-92000110M161 Q169 L170 C189M161-F167 HydrophobicContact CE-CB 4.34Å; F167-Q169 VanDerWaalsContact CZ-C 3.46Å; F167-L170 HydrophobicContact CE2-CB 3.92Å; F167-L170 HydrophobicContact CZ-CB 3.61Å; F167-C189 WeakPolarHBondContact CD2-SG 3.41Å; F167-C189 VanDerWaalsContact CE2-SG 3.59Å
168E94.6Very high84.6Confident84 Ų8487.5 Ų87.539%0.39348%0.475SS..EExtended strand (participates in β ladder)trans-110.1-48-179.8-66.2-66.2157.600111.8Y144 V190 S192Y144-E168 HydrophobicContact CE1-CG 4.23Å; E168-V190 HydrophobicContact CB-CB 4.35Å; E168-V190 HydrophobicContact CB-CG1 4.17Å; E168-V190 WeakPolarHBondContact CB-O 3.31Å; E168-V190 PolarHBondContact N-O 3.49Å; E168-S192 VanDerWaalsContact OE1-CB 3.3Å; E168-S192 WeakPolarHBondContact OE1-CB 3.39Å; E168-S192 PolarHBondContact OE1-OG 3.18Å
169Q95.4Very high82.9Confident114 Ų11496.4 Ų96.453%0.53350%0.504SS..EExtended strand (participates in β ladder)trans-155.5143.1-172.4-168.6174.520.300111.8F167 V171 C189 V190F167-Q169 VanDerWaalsContact CZ-C 3.46Å; Q169-V171 HydrophobicContact CG-CG2 4.11Å; Q169-C189 CarbonylContact O-C 3.55Å; Q169-C189 WeakPolarHBondContact O-CA 3.32Å; Q169-V190 HydrophobicContact CB-CB 4Å; Q169-V190 HydrophobicContact CB-CG2 4.1Å; Q169-V190 PolarHBondContact N-O 2.97Å; Q169-V190 PolarHBondContact O-N 3.05Å
170L94.4Very high81.2Confident65 Ų6595.6 Ų95.634%0.3451%0.511SS..EExtended strand (participates in β ladder)trans-115.5127.8168.2-172.871.6000109.1L154 F167 F187 L188 C189L154-L170 HydrophobicContact CD1-CD1 3.66Å; L154-L170 HydrophobicContact CD1-CD2 4.18Å; L154-L170 HydrophobicContact CD2-CD2 3.72Å; F167-L170 HydrophobicContact CE2-CB 3.92Å; F167-L170 HydrophobicContact CZ-CB 3.61Å; L170-F187 HydrophobicContact CD1-CB 3.72Å; L170-F187 HydrophobicContact CD1-CD1 4.01Å; L170-F187 HydrophobicContact CD1-CG 4.15Å; L170-F187 HydrophobicContact CD2-CD1 3.81Å; L170-F187 HydrophobicContact CD2-CE1 4.1Å; L170-F187 HydrophobicContact CD2-CG 4.5Å; L170-F187 HydrophobicContact CG-CB 4.37Å; L170-F187 HydrophobicContact CG-CD1 3.73Å; L170-F187 HydrophobicContact CG-CE1 4.44Å; L170-F187 HydrophobicContact CG-CG 4.37Å; L170-L188 CarbonylContact C-O 3.55Å; L170-L188 WeakPolarHBondContact CA-O 3.47Å; L170-C189 HydrophobicContact CD1-CB 4.12Å
171V94.8Very high79.4Confident57 Ų5794.3 Ų94.335%0.34551%0.506SS..EExtended strand (participates in β ladder)trans-117.7120179.6-175.60000108.4Q169 F187 L188Q169-V171 HydrophobicContact CG-CG2 4.11Å; V171-F187 CarbonylContact O-C 3.42Å; V171-F187 VanDerWaalsContact O-CA 3.29Å; V171-F187 WeakPolarHBondContact O-CA 3.47Å; V171-L188 HydrophobicContact CB-CB 4.28Å; V171-L188 PolarHBondContact N-O 3.46Å; V171-L188 PolarHBondContact O-N 3.12Å
172N90.1Very high77.9Confident93 Ų93101.1 Ų101.150%0.49754%0.537SS..EExtended strand (participates in β ladder)trans-81123.1171.5-171.4-24.9000108.8G174 F187N172-G174 WeakPolarHBondContact OD1-CA 3.47Å; N172-G174 PolarHBondContact OD1-N 3.12Å; N172-F187 HydrophobicContact CB-CD1 3.92Å; N172-F187 HydrophobicContact CB-CE1 3.65Å
173I87.3Confident76.7Confident93 Ų93102.4 Ų102.448%0.47754%0.538SS..  trans-95.6-9.4178.6-33.6172.9000111.5E186 L188I173-E186 PolarHBondContact N-O 3.46Å; I173-L188 HydrophobicContact CD1-CD1 3.83Å; I173-L188 HydrophobicContact CD1-CD2 3.58Å; I173-L188 HydrophobicContact CD1-CG 3.36Å; I173-L188 HydrophobicContact CG1-CD1 4.3Å; I173-L188 HydrophobicContact CG1-CG 3.87Å
174G72.6Confident75.8Confident31 Ų31100.4 Ų100.432%0.3253%0.525SS..  trans70.3163.8-177.400000112.9N172 S176N172-G174 WeakPolarHBondContact OD1-CA 3.47Å; N172-G174 PolarHBondContact OD1-N 3.12Å; G174-S176 PolarHBondContact O-N 3.2Å
175S66.7Low75.4Confident51 Ų5199.3 Ų99.336%0.35751%0.512SS..  trans-73.5122.4168.558.20000108.4Y177 D183S175-Y177 VanDerWaalsContact C-N 3.32Å; S175-Y177 PolarHBondContact O-N 2.88Å; S175-D183 VanDerWaalsContact CB-OD1 3.28Å; S175-D183 WeakPolarHBondContact CB-OD1 3.43Å; S175-D183 PolarHBondContact OG-OD1 3.24Å
176S58.3Low75.2Confident109 Ų109100.8 Ų100.876%0.76252%0.521SS*.  trans-70.392.2174.360.10000108.9G174G174-S176 PolarHBondContact O-N 3.2Å
177Y57.9Low75.2Confident232 Ų23295.1 Ų95.191%0.9150%0.5SS*.SBendtrans40.378.9167.6-63.6-86.4000115.3S175S175-Y177 VanDerWaalsContact C-N 3.32Å; S175-Y177 PolarHBondContact O-N 2.88Å
178N55.2Low75.2Confident94 Ų9493 Ų9350%0.50349%0.493SS..  trans-124.698.7171.4-14512.3000112.1G180 S181N178-G180 PolarHBondContact O-N 3.33Å; N178-G180 VanDerWaalsContact O-N 3.1Å; N178-S181 PolarHBondContact ND2-OG 2.9Å
179Y53.3Low75.2Confident246 Ų24689 Ų8997%0.96547%0.474SS*.SBendtrans-75.494.4172.2-125.6-96.2000108.3
180G54.7Low75.2Confident78 Ų7884.9 Ų84.980%0.80446%0.457SS*.SBendtrans123.613.1158.200000119.8N178N178-G180 PolarHBondContact O-N 3.33Å; N178-G180 VanDerWaalsContact O-N 3.1Å
181S54.7Low75.3Confident72 Ų7281.9 Ų81.950%0.50344%0.441SS..SBendtrans-145.4131165.859.60000109.3N178 D183N178-S181 PolarHBondContact ND2-OG 2.9Å; S181-D183 PolarHBondContact O-N 3.43Å
182E60.5Low75.3Confident185 Ų18579.1 Ų79.186%0.86443%0.425SS*.  trans-7.299.5179.4-77.3167.798.600114.2Q184E182-Q184 PolarHBondContact O-N 3.39Å
183D64.1Low75.4Confident104 Ų10478 Ų7856%0.55642%0.415SS*.  trans-60.299.7174-85.1-48.3000109S175 S181S175-D183 VanDerWaalsContact CB-OD1 3.28Å; S175-D183 WeakPolarHBondContact CB-OD1 3.43Å; S175-D183 PolarHBondContact OG-OD1 3.24Å; S181-D183 PolarHBondContact O-N 3.43Å
184Q68.7Low75.6Confident79 Ų7976.5 Ų76.537%0.36941%0.406SS..PPolyproline II helixtrans-86.5118.2169.2-66.7-178.7-9.300108.3Q150 E152 E182 E186Q150-Q184 VanDerWaalsContact CD-OE1 3.31Å; E152-Q184 PolarHBondContact OE1-NE2 3.34Å; E152-Q184 PolarHBondContact OE1-OE1 3.2Å; E182-Q184 PolarHBondContact O-N 3.39Å; Q184-E186 PolarHBondContact O-N 2.85Å
185A80.4Confident76Confident15 Ų1578.9 Ų78.912%0.12441%0.411CS..PPolyproline II helixtrans-71.7128.5174.600000109.9E151 F187E151-A185 HydrophobicContact CB-CB 4.36Å; E151-A185 PolarHBondContact N-O 3.21Å; A185-F187 HydrophobicContact CB-CE2 3.8Å; A185-F187 HydrophobicContact CB-CZ 4.16Å
186E89.6Confident76.5Confident75 Ų7584 Ų8435%0.3543%0.429SS..EExtended strand (participates in β ladder)trans-95.3141.7172.9-69.9-170-170.500111.5Q148 I173 Q184Q148-E186 PolarHBondContact NE2-OE2 3.2Å; I173-E186 PolarHBondContact N-O 3.46Å; Q184-E186 PolarHBondContact O-N 2.85Å
187F91.6Very high76.4Confident23 Ų2382.4 Ų82.410%0.10142%0.418CS..EExtended strand (participates in β ladder)trans-126.5144.5-178.2-65.3-89.7000112.7Q148 C149 E151 L170 V171 N172 A185Q148-F187 WeakPolarHBondContact CA-O 3.37Å; C149-F187 PolarHBondContact N-O 3.43Å; C149-F187 PolarHBondContact O-N 2.95Å; E151-F187 HydrophobicContact CB-CE2 3.85Å; E151-F187 HydrophobicContact CG-CE2 4.03Å; L170-F187 HydrophobicContact CD1-CB 3.72Å; L170-F187 HydrophobicContact CD1-CD1 4.01Å; L170-F187 HydrophobicContact CD1-CG 4.15Å; L170-F187 HydrophobicContact CD2-CD1 3.81Å; L170-F187 HydrophobicContact CD2-CE1 4.1Å; L170-F187 HydrophobicContact CD2-CG 4.5Å; L170-F187 HydrophobicContact CG-CB 4.37Å; L170-F187 HydrophobicContact CG-CD1 3.73Å; L170-F187 HydrophobicContact CG-CE1 4.44Å; L170-F187 HydrophobicContact CG-CG 4.37Å; V171-F187 CarbonylContact O-C 3.42Å; V171-F187 VanDerWaalsContact O-CA 3.29Å; V171-F187 WeakPolarHBondContact O-CA 3.47Å; N172-F187 HydrophobicContact CB-CD1 3.92Å; N172-F187 HydrophobicContact CB-CE1 3.65Å; A185-F187 HydrophobicContact CB-CE2 3.8Å; A185-F187 HydrophobicContact CB-CZ 4.16Å
188L94.8Very high76.2Confident53 Ų5376 Ų7628%0.27741%0.407SS..EExtended strand (participates in β ladder)trans-103.2122.9162.4-55.9178.8000110V146 L147 Q148 L170 V171 I173V146-L188 HydrophobicContact CG1-CB 3.85Å; V146-L188 HydrophobicContact CG1-CD1 4.31Å; V146-L188 HydrophobicContact CG1-CD2 4.13Å; V146-L188 HydrophobicContact CG1-CG 4.3Å; L147-L188 CarbonylContact O-C 3.53Å; L147-L188 WeakPolarHBondContact O-CA 3.2Å; Q148-L188 HydrophobicContact CB-CD2 4.02Å; Q148-L188 HydrophobicContact CG-CD2 4.1Å; L170-L188 CarbonylContact C-O 3.55Å; L170-L188 WeakPolarHBondContact CA-O 3.47Å; V171-L188 HydrophobicContact CB-CB 4.28Å; V171-L188 PolarHBondContact N-O 3.46Å; V171-L188 PolarHBondContact O-N 3.12Å; I173-L188 HydrophobicContact CD1-CD1 3.83Å; I173-L188 HydrophobicContact CD1-CD2 3.58Å; I173-L188 HydrophobicContact CD1-CG 3.36Å; I173-L188 HydrophobicContact CG1-CD1 4.3Å; I173-L188 HydrophobicContact CG1-CG 3.87Å
189C93.9Very high75.9Confident0 Ų075.7 Ų75.70%041%0.41CS..EExtended strand (participates in β ladder)trans-104.1109.6175.5179.90000109.3V146 L147 M157 F167 Q169 L170V146-C189 WeakPolarHBondContact CA-O 3.43Å; L147-C189 HydrophobicContact CB-CB 4.33Å; L147-C189 PolarHBondContact N-O 3.27Å; L147-C189 PolarHBondContact O-N 3Å; M157-C189 HydrophobicContact CE-CB 3.53Å; M157-C189 HydrophobicContact SD-CB 4.18Å; F167-C189 WeakPolarHBondContact CD2-SG 3.41Å; F167-C189 VanDerWaalsContact CE2-SG 3.59Å; Q169-C189 CarbonylContact O-C 3.55Å; Q169-C189 WeakPolarHBondContact O-CA 3.32Å; L170-C189 HydrophobicContact CD1-CB 4.12Å
190V96.1Very high75.4Confident28 Ų2870.1 Ų70.117%0.1740%0.397CS..EExtended strand (participates in β ladder)trans-82.9125.7172.6-172.80000108.1Y144 R145 V146 E168 Q169Y144-V190 HydrophobicContact CD1-CG1 4.22Å; R145-V190 WeakPolarHBondContact O-CA 3.35Å; V146-V190 HydrophobicContact CG2-CG2 4.42Å; E168-V190 HydrophobicContact CB-CB 4.35Å; E168-V190 HydrophobicContact CB-CG1 4.17Å; E168-V190 WeakPolarHBondContact CB-O 3.31Å; E168-V190 PolarHBondContact N-O 3.49Å; Q169-V190 HydrophobicContact CB-CB 4Å; Q169-V190 HydrophobicContact CB-CG2 4.1Å; Q169-V190 PolarHBondContact N-O 2.97Å; Q169-V190 PolarHBondContact O-N 3.05Å
191V95.6Very high74.8Confident1 Ų170.4 Ų70.41%0.00640%0.4CS..EExtended strand (participates in β ladder)trans-127.3144.4178.2-60.30000109.9Y144 R145 L147 M161 W165 R166Y144-V191 CarbonylContact C-O 3.57Å; Y144-V191 VanDerWaalsContact CA-O 3.29Å; Y144-V191 WeakPolarHBondContact CA-O 3.46Å; R145-V191 HydrophobicContact CB-CG2 3.69Å; R145-V191 PolarHBondContact N-O 2.92Å; R145-V191 PolarHBondContact O-N 3.46Å; L147-V191 HydrophobicContact CD1-CG1 4.41Å; L147-V191 HydrophobicContact CD1-CG2 4.26Å; L147-V191 HydrophobicContact CG-CG2 4.37Å; M161-V191 HydrophobicContact CE-CB 4.46Å; M161-V191 HydrophobicContact CE-CG1 3.39Å; M161-V191 HydrophobicContact SD-CB 4.28Å; M161-V191 HydrophobicContact SD-CG1 3.8Å; W165-V191 HydrophobicContact CD2-CG2 4.31Å; W165-V191 HydrophobicContact CE3-CB 3.97Å; W165-V191 HydrophobicContact CE3-CG2 3.44Å; W165-V191 VanDerWaalsContact CE3-CG2 3.44Å; W165-V191 HydrophobicContact CZ3-CG2 3.83Å; R166-V191 CarbonylContact O-C 3.56Å; R166-V191 WeakPolarHBondContact O-CA 3.48Å; R166-V191 WeakPolarHBondContact O-CB 3.47Å
192S94.9Very high74Confident0 Ų073.8 Ų73.80%041%0.412CS..EExtended strand (participates in β ladder)trans-116.1156.4175.880.20000111.3V143 W165 R166 E168V143-S192 CarbonylContact O-C 3.57Å; V143-S192 VanDerWaalsContact O-CA 3.25Å; V143-S192 WeakPolarHBondContact O-CA 3.31Å; W165-S192 CarbonylContact C-O 3.57Å; W165-S192 WeakPolarHBondContact CA-O 3.4Å; R166-S192 PolarHBondContact N-O 2.95Å; R166-S192 PolarHBondContact O-N 3.31Å; E168-S192 VanDerWaalsContact OE1-CB 3.3Å; E168-S192 WeakPolarHBondContact OE1-CB 3.39Å; E168-S192 PolarHBondContact OE1-OG 3.18Å
193K93.3Very high73.1Confident68 Ų6871 Ų7130%0.29641%0.413SS..EExtended strand (participates in β ladder)trans-137.9126.5168.3178.9154.8-174.6164.40109.4H142 V143 D163 G164 W165H142-K193 WeakPolarHBondContact CA-O 3.48Å; V143-K193 PolarHBondContact N-O 2.97Å; V143-K193 PolarHBondContact O-N 2.77Å; D163-K193 PolarHBondContact O-NZ 3.33Å; G164-K193 VanDerWaalsContact O-CG 3.28Å; G164-K193 WeakPolarHBondContact O-CG 2.99Å; W165-K193 HydrophobicContact CD2-CB 3.94Å; W165-K193 HydrophobicContact CD2-CD 4.22Å; W165-K193 HydrophobicContact CE3-CB 3.83Å; W165-K193 HydrophobicContact CG-CB 4.48Å; W165-K193 HydrophobicContact CG-CD 4.31Å; W165-K193 HydrophobicContact CH2-CB 4.22Å; W165-K193 HydrophobicContact CZ2-CB 4.36Å; W165-K193 HydrophobicContact CZ2-CD 4.34Å; W165-K193 HydrophobicContact CZ3-CB 3.99Å
194E91Very high71.7Confident62 Ų6271 Ų7129%0.2942%0.421SS..EExtended strand (participates in β ladder)trans-72.9124.3176-76.8171.1-151.100110.3P140 H142 R166P140-E194 HydrophobicContact CB-CG 4.43Å; H142-E194 VanDerWaalsContact CD2-CG 3.47Å; H142-E194 WeakPolarHBondContact CD2-CG 3.39Å; H142-E194 WeakPolarHBondContact NE2-CG 3.35Å; H142-E194 IonicContact NE2-OE1 2.79Å; H142-E194 PolarHBondContact NE2-OE1 3.29Å; R166-E194 IonicContact NH1-OE1 2.95Å; R166-E194 PolarHBondContact NH1-OE1 2.87Å
195L81.6Confident70.4Confident81 Ų8176.4 Ų76.442%0.42445%0.446SS..EExtended strand (participates in β ladder)trans-97.6122.7171.2-60.2-177.6000109.9K141 V143K141-L195 HydrophobicContact CB-CB 4.35Å; K141-L195 PolarHBondContact N-O 2.92Å; K141-L195 WeakPolarHBondContact O-CA 3.47Å; K141-L195 VanDerWaalsContact O-CB 3.24Å; K141-L195 WeakPolarHBondContact O-CB 3.12Å; K141-L195 PolarHBondContact O-N 2.99Å; V143-L195 HydrophobicContact CG2-CD1 3.42Å; V143-L195 VanDerWaalsContact CG2-CD1 3.42Å; V143-L195 HydrophobicContact CG2-CD2 4.36Å; V143-L195 HydrophobicContact CG2-CG 3.81Å
196H75.4Confident68.1Low158 Ų15880.6 Ų80.673%0.73147%0.474SS*.  trans-88.3109168.6-55.783.9000107.4S198H196-S198 PolarHBondContact O-N 2.86Å
197S57.4Low65.9Low76 Ų7681 Ų8153%0.53149%0.486SS..  trans-85.6100.2170.257.70000109.4
198S53.7Low63.4Low97 Ų9789.4 Ų89.468%0.67852%0.517SS*.  trans-71.3129159.9-75.50000108.8H196 N200H196-S198 PolarHBondContact O-N 2.86Å; S198-N200 PolarHBondContact O-N 3.35Å
199P49.5Very low60.7Low88 Ų8894.6 Ų94.657%0.57154%0.537SS*.SBendtrans-72.1-8.8179.5-12.425.6000113.9Y133Y133-P199 HydrophobicContact CD2-CG 4.18Å; Y133-P199 HydrophobicContact CE2-CG 3.29Å; Y133-P199 VanDerWaalsContact OH-CD 3.27Å; Y133-P199 WeakPolarHBondContact OH-CD 3.49Å
200N42.7Very low58.2Low129 Ų129100.9 Ų100.969%0.6958%0.576SS**  trans-96.8105.7-179.6-77.120.5000109.9S198 L202S198-N200 PolarHBondContact O-N 3.35Å; N200-L202 PolarHBondContact O-N 3.05Å
201G42.4Very low55.6Low84 Ų84108.2 Ų108.287%0.86661%0.606SS**  trans-66.965166.300000112.2
202L37.8Very low53.1Low143 Ų143109.8 Ų109.875%0.74962%0.617SS**  trans-123.1112.5155.4-67.3175.7000105.5N200 S204N200-L202 PolarHBondContact O-N 3.05Å; L202-S204 VanDerWaalsContact C-N 3.35Å; L202-S204 PolarHBondContact O-N 3.2Å
203S40.9Very low50.6Low127 Ų127114.9 Ų114.989%0.88865%0.648SS**  trans-51.2103.1166.9-1690000107.9
204S33.6Very low48.5Very low104 Ų104118.5 Ų118.573%0.72767%0.666SS**  trans-124.682.4171.3-163.30000106.1L202 S206L202-S204 VanDerWaalsContact C-N 3.35Å; L202-S204 PolarHBondContact O-N 3.2Å; S204-S206 PolarHBondContact O-N 3.21Å
205E43.2Very low46.5Very low192 Ų192122.3 Ų122.390%0.89768%0.683SS**  trans-6393.9159.9-148.1179.9116.900106.8
206S32.1Very low44.8Very low103 Ų103123.1 Ų123.172%0.7269%0.685SS**  trans-15073.1161.7-176.20000107.7S204S204-S206 PolarHBondContact O-N 3.21Å
207S42.8Very low43.6Very low85 Ų85120.6 Ų120.659%0.59468%0.676SS**  trans-63.8133.6165.6-131.90000108.8
208R39.4Very low43.5Very low198 Ų198123 Ų12375%0.74768%0.679SS**  trans66.588.8149.7-35.9172.3-155.7-159.7-2116.2D163D163-R208 IonicContact OD2-NH1 3.77Å; D163-R208 IonicContact OD2-NH2 3.5Å; D163-R208 PolarHBondContact OD2-NH2 3.37Å
209K38.2Very low43.4Very low163 Ų163124.2 Ų124.271%0.70967%0.674SS**  trans-123.177.2150.2-163169-172.1173.80110.8
210T40.4Very low43.4Very low132 Ų132126.1 Ų126.181%0.8168%0.675SS**SBendtrans-141115.1151.1450000105.9
211K41.9Very low43.9Very low182 Ų182126 Ų12679%0.79167%0.671SS**  trans97.476.7-176-148174.6-169-170.20114.7
212S43.6Very low44.3Very low34 Ų34128.3 Ų128.324%0.23866%0.659CS.*  trans-14234.6162.579.40000110.8Q216S212-Q216 VanDerWaalsContact O-CG 3.3Å; S212-Q216 WeakPolarHBondContact O-CG 3.3Å; S212-Q216 PolarHBondContact O-OE1 3.23Å
213T41.9Very low44.9Very low107 Ų107127.4 Ų127.466%0.65665%0.651SS**SBendtrans-100.1-9.8-175.4-16.40000113.1L217T213-L217 WeakPolarHBondContact O-CD1 3.48Å
214E49.8Very low45.6Very low144 Ų144128.2 Ų128.267%0.67364%0.641SS**SBendtrans-95.8-44.8174.2-82169.4126.900111.3Q216 L217 E218E214-Q216 VanDerWaalsContact C-N 3.3Å; E214-Q216 PolarHBondContact O-N 3.46Å; E214-L217 PolarHBondContact O-N 3.34Å; E214-L217 VanDerWaalsContact O-N 3.16Å; E214-E218 PolarHBondContact O-N 3.32Å
215E48Very low46.6Very low141 Ų141130.1 Ų130.166%0.65964%0.638SS**Hα-helixtrans-64.9-31178.1-71176.7148.600113.1L217 E218 E219E215-L217 VanDerWaalsContact C-N 3.32Å; E215-L217 PolarHBondContact O-N 3.35Å; E215-E218 PolarHBondContact O-N 2.67Å; E215-E219 PolarHBondContact O-N 2.95Å
216Q46.3Very low47.2Very low99 Ų99127.3 Ų127.346%0.46363%0.625SS.*Hα-helixtrans-74.9-18.8177.6-71.5-170.3-33.900114S212 E214 Q220S212-Q216 VanDerWaalsContact O-CG 3.3Å; S212-Q216 WeakPolarHBondContact O-CG 3.3Å; S212-Q216 PolarHBondContact O-OE1 3.23Å; E214-Q216 VanDerWaalsContact C-N 3.3Å; E214-Q216 PolarHBondContact O-N 3.46Å; Q216-Q220 PolarHBondContact O-N 2.64Å
217L51Low48.3Very low104 Ų104126.8 Ų126.855%0.54562%0.617SS.*Hα-helixtrans-84.7-30.9175.3-109.8113.9000111.6T213 E214 E215 Q221T213-L217 WeakPolarHBondContact O-CD1 3.48Å; E214-L217 PolarHBondContact O-N 3.34Å; E214-L217 VanDerWaalsContact O-N 3.16Å; E215-L217 VanDerWaalsContact C-N 3.32Å; E215-L217 PolarHBondContact O-N 3.35Å; L217-Q221 PolarHBondContact O-N 2.97Å
218E53.7Low49Very low126 Ų126129.3 Ų129.359%0.58962%0.62SS**Hα-helixtrans-75.2-37.5176.4-70.8179.6159.400111.9E214 E215 Q221 Q222E214-E218 PolarHBondContact O-N 3.32Å; E215-E218 PolarHBondContact O-N 2.67Å; E218-Q221 PolarHBondContact O-N 2.69Å; E218-Q222 PolarHBondContact O-N 3.03Å; E218-Q222 VanDerWaalsContact O-N 3.12Å
219E51.7Low49.8Very low123 Ų123127 Ų12758%0.57562%0.618SS**Hα-helixtrans-70.6-30.4174.3-73.3-176.6152.500113E215 Q223E215-E219 PolarHBondContact O-N 2.95Å; E219-Q223 PolarHBondContact O-N 2.86Å
220Q50.1Low50.7Low128 Ų128122.8 Ų122.860%0.59861%0.605SS**Hα-helixtrans-72.6-36.5174.1-105.1169.456.200112.4Q216 Q223 E224Q216-Q220 PolarHBondContact O-N 2.64Å; Q220-Q223 PolarHBondContact O-N 2.97Å; Q220-E224 PolarHBondContact O-N 2.74Å
221Q52.4Low51.5Low127 Ų127122.7 Ų122.759%0.59360%0.596SS**Hα-helixtrans-68.4-38.2174.9-86.1175.613.500112.3L217 E218 E224 E225L217-Q221 PolarHBondContact O-N 2.97Å; E218-Q221 PolarHBondContact O-N 2.69Å; Q221-E224 PolarHBondContact O-N 2.87Å; Q221-E225 PolarHBondContact O-N 2.78Å; Q221-E225 VanDerWaalsContact O-N 3.1Å
222Q51.4Low52.3Low133 Ų133118.3 Ų118.362%0.62158%0.584SS**Hα-helixtrans-69.3-33.4176.5-74.9171.516.800112.7E218 E226E218-Q222 PolarHBondContact O-N 3.03Å; E218-Q222 VanDerWaalsContact O-N 3.12Å; Q222-E226 WeakPolarHBondContact O-CB 3.49Å; Q222-E226 PolarHBondContact O-N 2.81Å; Q222-E226 VanDerWaalsContact O-N 3.09Å
223Q50.8Low52.9Low124 Ų124123.6 Ų123.658%0.57961%0.605SS**Hα-helixtrans-75-32.1175.2-78.9173.23500113.2E219 Q220 V227E219-Q223 PolarHBondContact O-N 2.86Å; Q220-Q223 PolarHBondContact O-N 2.97Å; Q223-V227 WeakPolarHBondContact O-CB 3.37Å; Q223-V227 WeakPolarHBondContact O-CG2 3.46Å; Q223-V227 PolarHBondContact O-N 3.33Å; Q223-V227 VanDerWaalsContact O-N 3.15Å
224E56.2Low53.3Low144 Ų144124.8 Ų124.867%0.67360%0.603SS**Hα-helixtrans-69.9-36.7172.7-80.4-177.615500111.8Q220 Q221 E228Q220-E224 PolarHBondContact O-N 2.74Å; Q221-E224 PolarHBondContact O-N 2.87Å; E224-E228 PolarHBondContact O-N 2.73Å; E224-E228 VanDerWaalsContact O-N 3.08Å
225E54.7Low53.6Low144 Ų144122.4 Ų122.467%0.67360%0.598SS**Hα-helixtrans-69.7-38.4177.1-140.2175.9172.500112.1Q221 E228 E229Q221-E225 PolarHBondContact O-N 2.78Å; Q221-E225 VanDerWaalsContact O-N 3.1Å; E225-E228 PolarHBondContact O-N 2.83Å; E225-E229 PolarHBondContact O-N 3Å; E225-E229 VanDerWaalsContact O-N 3.07Å
226E55Low53.8Low132 Ų132121.5 Ų121.562%0.61759%0.594SS**Hα-helixtrans-71.3-31.6177.1-161.1-178.9166.800112.4Q222 V230Q222-E226 WeakPolarHBondContact O-CB 3.49Å; Q222-E226 PolarHBondContact O-N 2.81Å; Q222-E226 VanDerWaalsContact O-N 3.09Å; E226-V230 WeakPolarHBondContact O-CG2 3.47Å; E226-V230 PolarHBondContact O-N 2.67Å
227V54.4Low54.1Low92 Ų92121.4 Ų121.456%0.55860%0.599SS**Hα-helixtrans-74.5-36.4175.3175.40000111.4Q223 V230 E231Q223-V227 WeakPolarHBondContact O-CB 3.37Å; Q223-V227 WeakPolarHBondContact O-CG2 3.46Å; Q223-V227 PolarHBondContact O-N 3.33Å; Q223-V227 VanDerWaalsContact O-N 3.15Å; V227-V230 PolarHBondContact O-N 3.04Å; V227-E231 WeakPolarHBondContact O-CB 3.21Å; V227-E231 PolarHBondContact O-N 3.47Å
228E57.3Low54.2Low139 Ų139123.5 Ų123.565%0.6561%0.606SS**Hα-helixtrans-67.6-39175-164174.3173.600111.4E224 E225 V230 E231 V232E224-E228 PolarHBondContact O-N 2.73Å; E224-E228 VanDerWaalsContact O-N 3.08Å; E225-E228 PolarHBondContact O-N 2.83Å; E228-V230 PolarHBondContact O-N 2.75Å; E228-E231 PolarHBondContact O-N 2.86Å; E228-V232 WeakPolarHBondContact O-CG2 3.11Å; E228-V232 PolarHBondContact O-N 3.03Å
229E57.7Low54Low150 Ų150120.1 Ų120.170%0.70160%0.6SS**Hα-helixtrans-63.7-41.3175.4-119.6-173.2168.600112.5E225 E233E225-E229 PolarHBondContact O-N 3Å; E225-E229 VanDerWaalsContact O-N 3.07Å; E229-E233 PolarHBondContact O-N 3.35Å
230V56.2Low53.7Low73 Ų73119.5 Ų119.544%0.44260%0.601SS.*Hα-helixtrans-71.8-33179.7175.30000112.2E226 V227 E228 Q234E226-V230 WeakPolarHBondContact O-CG2 3.47Å; E226-V230 PolarHBondContact O-N 2.67Å; V227-V230 PolarHBondContact O-N 3.04Å; E228-V230 PolarHBondContact O-N 2.75Å; V230-Q234 PolarHBondContact O-N 2.89Å
231E58.3Low53.6Low131 Ų131116.8 Ų116.861%0.61260%0.6SS**Hα-helixtrans-73-37.5177-158.2173.2138.500111.5V227 E228 Q234 V235V227-E231 WeakPolarHBondContact O-CB 3.21Å; V227-E231 PolarHBondContact O-N 3.47Å; E228-E231 PolarHBondContact O-N 2.86Å; E231-Q234 PolarHBondContact O-N 2.92Å; E231-V235 VanDerWaalsContact O-CG2 3.27Å; E231-V235 WeakPolarHBondContact O-CG2 3.33Å; E231-V235 PolarHBondContact O-N 3.47Å; E231-V235 VanDerWaalsContact O-N 3.09Å
232V56.9Low53.5Low90 Ų90118 Ų11855%0.54561%0.606SS.*Hα-helixtrans-66.9-38.1174.1178.20000111.3E228 Q236E228-V232 WeakPolarHBondContact O-CG2 3.11Å; E228-V232 PolarHBondContact O-N 3.03Å; V232-Q236 PolarHBondContact O-N 2.85Å
233E56.7Low53.3Low144 Ų144119.4 Ų119.467%0.67361%0.613SS**Hα-helixtrans-67.8-41.3176.2-157.4174.1141.800111.5E229 V235 Q236 V237E229-E233 PolarHBondContact O-N 3.35Å; E233-V235 PolarHBondContact O-N 2.66Å; E233-Q236 PolarHBondContact O-N 2.94Å; E233-V237 WeakPolarHBondContact O-CG2 3.21Å; E233-V237 PolarHBondContact O-N 3.05Å
234Q50.8Low53Low133 Ų133122.7 Ų122.762%0.62163%0.625SS**Hα-helixtrans-63-39.9176.2-83-174.730.800113.7V230 E231 Q236 V237 E238V230-Q234 PolarHBondContact O-N 2.89Å; E231-Q234 PolarHBondContact O-N 2.92Å; Q234-Q236 VanDerWaalsContact C-N 3.3Å; Q234-Q236 PolarHBondContact O-N 3.46Å; Q234-V237 PolarHBondContact O-N 3.15Å; Q234-E238 PolarHBondContact O-N 3.17Å
235V56.3Low52.3Low94 Ų94119.9 Ų119.957%0.5763%0.626SS**Hα-helixtrans-67.9-31.7177.8175.30000111.5E231 E233 A239E231-V235 VanDerWaalsContact O-CG2 3.27Å; E231-V235 WeakPolarHBondContact O-CG2 3.33Å; E231-V235 PolarHBondContact O-N 3.47Å; E231-V235 VanDerWaalsContact O-N 3.09Å; E233-V235 PolarHBondContact O-N 2.66Å; V235-A239 PolarHBondContact O-N 2.86Å
236Q52.7Low51.7Low122 Ų122121.8 Ų121.857%0.5764%0.635SS**Hα-helixtrans-71.4-36.3176.7-159.968.762.500112.1V232 E233 Q234 D240V232-Q236 PolarHBondContact O-N 2.85Å; E233-Q236 PolarHBondContact O-N 2.94Å; Q234-Q236 VanDerWaalsContact C-N 3.3Å; Q234-Q236 PolarHBondContact O-N 3.46Å; Q236-D240 PolarHBondContact O-N 3.25Å
237V52.8Low51.2Low96 Ų96120.3 Ų120.358%0.58264%0.639SS**Hα-helixtrans-72.3-31.3177-133.40000112.7E233 Q234 A241E233-V237 WeakPolarHBondContact O-CG2 3.21Å; E233-V237 PolarHBondContact O-N 3.05Å; Q234-V237 PolarHBondContact O-N 3.15Å; V237-A241 PolarHBondContact O-N 3.18Å
238E51.9Low50.7Low148 Ų148121.5 Ų121.569%0.69265%0.652SS**Hα-helixtrans-75.2-30.7178-146.7175.2-173.800112Q234Q234-E238 PolarHBondContact O-N 3.17Å
239A49.3Very low49.7Very low55 Ų55124.5 Ų124.546%0.45567%0.666SS.*Hα-helixtrans-69-39.8172.800000112.8V235 Q242V235-A239 PolarHBondContact O-N 2.86Å; A239-Q242 PolarHBondContact O-N 3.04Å
240D44.9Very low48.7Very low110 Ų110125.1 Ų125.159%0.58867%0.674SS**Hα-helixtrans-72-29.8178.5-109.5-95.7000112.9Q236 Q242Q236-D240 PolarHBondContact O-N 3.25Å; D240-Q242 VanDerWaalsContact C-N 3.25Å; D240-Q242 PolarHBondContact O-N 3.08Å
241A49.8Very low48.1Very low71 Ų71127.3 Ų127.359%0.58769%0.69SS**Hα-helixtrans-69.7-23174.900000112.9V237V237-A241 PolarHBondContact O-N 3.18Å
242Q48.5Very low47Very low153 Ų153125.4 Ų125.472%0.71570%0.696SS**Hα-helixtrans-90.4-19.2-178.1-154.3152.1-85.100113.4A239 D240A239-Q242 PolarHBondContact O-N 3.04Å; D240-Q242 VanDerWaalsContact C-N 3.25Å; D240-Q242 PolarHBondContact O-N 3.08Å
243E48.1Very low46.1Very low163 Ų163128.2 Ų128.276%0.76271%0.708SS**Hα-helixtrans-77-27.5173.2-163.4178.5122.800112.3A245E243-A245 VanDerWaalsContact C-N 3.35Å; E243-A245 PolarHBondContact O-N 3.26Å
244K43.7Very low45.1Very low193 Ų193128.2 Ų128.284%0.83971%0.712SS**THydrogen-bonded Turntrans-83.1-5.7-177.9-148.7173.1-176.4178.50114.9
245A43.1Very low44.5Very low84 Ų84130.2 Ų130.269%0.69472%0.719SS**THydrogen-bonded Turntrans-98.11.1178.900000114.4E243E243-A245 VanDerWaalsContact C-N 3.35Å; E243-A245 PolarHBondContact O-N 3.26Å
246Q42.2Very low44Very low184 Ų184130.5 Ų130.586%0.8673%0.725SS**SBendtrans-11125.3-178.4-98.3-176.3-11.300115.3
247S42.7Very low43.6Very low102 Ų102133 Ų13371%0.71374%0.742SS**SBendtrans-138.773.2170172.40000111.4
248S44.5Very low43.5Very low116 Ų116133.7 Ų133.781%0.81175%0.748SS**  trans171.498.4141.531.40000111.7
249Q36.8Very low43.8Very low203 Ų203132.5 Ų132.595%0.94975%0.753SS**  trans-139.2109.5152.3-79.7-168.9-2800109.7
250D37.2Very low43.6Very low163 Ų163137.9 Ų137.987%0.87277%0.773SS**  trans-89.9134.4159.5-126.1-38.9000107.4
251P43.2Very low44.3Very low119 Ų119138 Ų13877%0.77378%0.78SS**  trans-103.9117.8-173.834.8-25.9000112.2
252A35.7Very low45.1Very low91 Ų91140.1 Ų140.175%0.75279%0.788SS**  trans-175.4150.7149.100000113.9
253N36.8Very low45.3Very low149 Ų149138.7 Ų138.780%0.79779%0.792SS**  trans83.3103.6171.4-67.5-48.6000116.3
254L36.8Very low45.6Very low143 Ų143136.8 Ų136.875%0.74979%0.794SS**  71.3117.556.5-145.984000112.9
255F37.8Very low45.6Very low176 Ų176135.4 Ų135.477%0.77280%0.795SS**  trans104.2111.5163.7-76.7-82.9000120.9
256S45Very low46.5Very low99 Ų99137.2 Ų137.269%0.69280%0.799SS**  trans70113135.3-63.90000121.1
257L45.2Very low46.2Very low176 Ų176133.3 Ų133.392%0.92180%0.798SS**  trans-153.1152135.2-81.5-172.1000112
258P50.7Low45.8Very low109 Ų109132.5 Ų132.571%0.70881%0.806SS**PPolyproline II helixtrans-90.7173-161.638-36.3000114.8
259P57Low45.2Very low124 Ų124130.9 Ų130.981%0.80581%0.807SS**PPolyproline II helixtrans-83.2153.6-165.433-33.2000114.8
260L46.8Very low45.1Very low167 Ų167126.6 Ų126.687%0.87480%0.8SS**PPolyproline II helixtrans-68.3150-178.9-84.491.5000114.1
261P59Low45.1Very low112 Ų112130 Ų13073%0.72780%0.801SS**PPolyproline II helixtrans-88.9155.5168.934.7-31.6000113.6
262P65.4Low45.4Very low117 Ų117128.9 Ų128.976%0.7679%0.793SS**PPolyproline II helixtrans-86.8166.4-17635.8-35.4000113.6
263P53Low45.2Very low123 Ų123133.2 Ų133.280%0.79980%0.797SS**PPolyproline II helixtrans-88151.5-175.335.8-33000112.1
264P54Low45.1Very low123 Ų123130.7 Ų130.780%0.79979%0.792SS**PPolyproline II helixtrans-99.9135.8167.733.1-24.4000112.5
265L45Very low45Very low164 Ų164131.5 Ų131.586%0.85980%0.796SS**  trans-98.6-174.2157.6-65.9167.9000109.1
266P60.6Low44.9Very low122 Ų122134.4 Ų134.479%0.79280%0.802SS**  -112.9174.6-107.927.7-4.6000112.8
267A36.1Very low44.8Very low101 Ų101135.7 Ų135.784%0.83581%0.807SS**  trans156.7131.413700000113.8
268G34.8Very low44.4Very low86 Ų86136.7 Ų136.789%0.88781%0.807SS**  64.8127.7124.300000121.1
269G32.7Very low43.8Very low81 Ų81136.1 Ų136.184%0.83581%0.812SS**  trans164.6127.1158.400000114.1
270S34.3Very low42.8Very low113 Ų113138.1 Ų138.179%0.7981%0.811SS**  trans-102.4153.3-165.8-48.30000114.8
271R36.9Very low42.3Very low236 Ų236138 Ų13889%0.89181%0.81SS**  trans73.8167.6141.9-84180169.7-143.2-1.9119.4
272P49.9Very low41.2Very low94 Ų94136.2 Ų136.261%0.6180%0.804SS**  cis-141.1-177.3-22.529.4-5.3000116.4
273H32.2Very low39.7Very low182 Ų182136.2 Ų136.284%0.84380%0.802SS**  trans72.9139164.8-61.5-73000117.3
274S33.2Very low39Very low97 Ų97141.1 Ų141.168%0.67881%0.805SS**  cis-169140.841.3-1570000106.7
275L35.8Very low38.1Very low159 Ų159139.7 Ų139.783%0.83280%0.803SS**  176.2147.475.9-85.1167.4000109
276R35.9Very low38.1Very low237 Ų237137.4 Ų137.489%0.89480%0.801SS**  trans-9.2146170.7-79.3175.1159.5-176.8-6.9123
277P43.5Very low37.6Very low126 Ų126137.7 Ų137.782%0.81880%0.803SS**  trans-100155.7156.437-26.9000113.1
278E36.2Very low37.9Very low197 Ų197144.3 Ų144.392%0.92181%0.806SS**  trans-119.1151.6165.2-93.3-136.6101.300111.6
279A37.4Very low38.5Very low97 Ų97145.7 Ų145.780%0.80280%0.8SS**  trans80.391.4160.500000119.5
280E36Very low38.8Very low167 Ų167150.1 Ų150.178%0.7880%0.804SS**  trans-47.5139.6149.2-157.7-157.2126.400113.7
281L37.6Very low38.9Very low165 Ų165149.1 Ų149.186%0.86480%0.802SS**  -164.8130.4119.1-142.378.8000111.8
282A34.4Very low39.5Very low73 Ų73149.1 Ų149.160%0.60380%0.802SS**  trans-77.5167.9-177.800000114
283V35.4Very low39.4Very low118 Ų118150.4 Ų150.472%0.71581%0.81SS**  139.6120.1123.4172.80000114.4
284R36.3Very low39.9Very low225 Ų225150.3 Ų150.385%0.84981%0.81SS**  trans64.2117150-75.4160.3118.2-176.11.3119
285A36Very low40.2Very low93 Ų93151.1 Ų151.177%0.76982%0.816SS**  77.1122.769.800000113.5
286S44.6Very low40.2Very low117 Ų117148.7 Ų148.782%0.81881%0.811SS**  trans-52.2167.3-177.9-490000115.5
287P50.6Low40.4Very low128 Ų128146.8 Ų146.883%0.83181%0.812SS**  -137.5146.4124.329.1-11.9000114.7
288R41.6Very low40.7Very low239 Ų239145.8 Ų145.890%0.90281%0.806SS**  trans-82.1165.7159.2-103.2-172-176.6-147.22.3110.3
289P49.1Very low40.8Very low116 Ų116142.7 Ų142.775%0.75380%0.804SS**  trans-94.6154.3-15637.1-34000113.3
290L37.3Very low40.8Very low174 Ų174143.8 Ų143.891%0.91180%0.804SS**  trans-151.3135.5164.4-100.7164.2000112
291A37.6Very low40.8Very low91 Ų91146.8 Ų146.875%0.75281%0.81SS**  trans70.5109.3148.100000120.2
292R49.3Very low41.4Very low236 Ų236148 Ų14889%0.89181%0.809SS**  trans-85.7144.3152.9-166.5-175.4-164.1-156.34.8108.7
293P48.6Very low42.2Very low122 Ų122150.7 Ų150.779%0.79282%0.82SS**  trans-122.3151.315121.1-2.5000113.2
294Q41.3Very low42.6Very low180 Ų180154 Ų15484%0.84183%0.827SS**  trans-83.2155.7174.8-61.5171.6-16.700111.7
295S40.3Very low43.4Very low114 Ų114147.7 Ų147.780%0.79782%0.823SS**  trans164.6153.7133.266.40000107.3
296C35.7Very low44.2Very low108 Ų108149.8 Ų149.873%0.7383%0.829SS**  cis-172.2139.9-12.5-99.70000103
297H40.6Very low43.9Very low196 Ų196147.5 Ų147.591%0.90782%0.824SS**  trans-163.9131.4139.6-101.7-66.3000109.8
298P49.5Very low43.3Very low106 Ų106147.9 Ų147.969%0.68883%0.828SS**  trans-96137.9-178.635.4-28.6000110.8
299C37.8Very low43.2Very low132 Ų132145.9 Ų145.989%0.89283%0.829SS**  trans-135.7105.7157.5-107.20000108.7
300C36.8Very low43Very low119 Ų119145.1 Ų145.180%0.80483%0.833SS**  trans-62.5128.6168.7-57.50000109.7
301Y36.7Very low43.9Very low231 Ų231142 Ų14291%0.90682%0.823SS**  trans-138.2116.1153.4-115.9-90.2000108.3
302K49.3Very low44.1Very low191 Ų191144.3 Ų144.383%0.8382%0.822SS**PPolyproline II helixtrans-71.8148.7170-84.5175.1166.9178.30109.4
303P52.3Low43.9Very low128 Ų128141.2 Ų141.283%0.83182%0.818SS**PPolyproline II helixtrans-95123.5151.6151.8000110.2
304E42.5Very low44.1Very low188 Ų188143.1 Ų143.188%0.87982%0.82SS**PPolyproline II helixtrans-76.1150.4166.6-72.4-177.2100.300110.8
305A53.2Low44.2Very low93 Ų93143 Ų14377%0.76982%0.82SS**PPolyproline II helixtrans-66.4154.5179.900000112.9
306P52.7Low44.2Very low137 Ų137141 Ų14189%0.8982%0.817SS**PPolyproline II helixtrans-90.2119.6166.532.7-26.3000110
307G39.4Very low44.9Very low68 Ų68144.3 Ų144.370%0.70183%0.826SS**  trans-161.1109.416700000108.3
308C36.8Very low44.9Very low137 Ų137138.2 Ų138.293%0.92682%0.817SS**  trans175.1126.8143.3-91.80000109.3
309E39.4Very low44.5Very low197 Ų197139.8 Ų139.892%0.92182%0.824SS**  trans-58.8154175-60.3173.395.100112.6
310A46.9Very low45.6Very low100 Ų100139 Ų13983%0.82682%0.817SS**  trans-118.5128.4161.300000108.4
311P55.4Low46.3Very low109 Ų109144.9 Ų144.971%0.70884%0.838SS**  trans-95.8155179.535.5-31.3000113.6
312D42Very low46.8Very low139 Ų139140.6 Ų140.674%0.74384%0.835SS**  trans64.9102.7142.4-65-37000122.1
313H45.7Very low46.7Very low171 Ų171137.9 Ų137.979%0.79284%0.835SS**  29.9106.3110.4-79.5-66.8000119.1
314L50.8Low46.4Very low162 Ų162138.4 Ų138.485%0.84884%0.835SS**  trans-148.1103.6140.9-112.3113.5000106.9
315Q45.1Very low46.6Very low178 Ų178135.5 Ų135.583%0.83283%0.833SS**  61.3121.186.5-72-171.46.300115.4
316G39.5Very low46.2Very low72 Ų72138.2 Ų138.274%0.74284%0.837SS**  trans100.7127.7161.400000113.2
317L50.1Low45.8Very low176 Ų176138.3 Ų138.392%0.92183%0.833SS**  cis-155.813520.4-74.7161.6000108
318G39.9Very low46.2Very low68 Ų68143.3 Ų143.370%0.70184%0.843SS**  trans-77.4155.4156.100000110.1
319V42.3Very low46.9Very low140 Ų140143.8 Ų143.885%0.84884%0.836SS**  -165.5134.41151770000107.3
320P59.8Low47.5Very low114 Ų114139.3 Ų139.374%0.7483%0.829SS**  trans-100.5146.9170.936.5-28.1000112.2
321I53.1Low47.6Very low243 Ų243142.9 Ų142.9100%1.24683%0.829SS**  trans-146.60138.4-51.4-176.8000106.9

Retrieved 321 of 321 residues in 627.8 ms (Link to these results)