A0A3B3VMB1_9TELE Loading...

rRNA-processing protein FCF1 homolog

Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession A0A3B3VMB1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 197 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
1M48.1Very low72.5Confident253 Ų253167.5 Ų167.5100%1.24688%0.875SS**  01130-72.8-160.9-176.400109.6
2G56.9Low73.4Confident74 Ų74167.5 Ų167.576%0.76387%0.871SS**  trans-128.2104.4171.500000109.4Q4G2-Q4 PolarHBondContact O-N 3.23Å
3K64.6Low74.2Confident208 Ų208169.3 Ų169.390%0.90487%0.868SS**PPolyproline II helixtrans-64.9117.3178.9-72.1-179177.9178.80109.1K5K3-K5 PolarHBondContact O-N 3.09Å
4Q68.9Low74.9Confident190 Ų190174.9 Ų174.989%0.88887%0.873SS**PPolyproline II helixtrans-64.5126.5174-74.8-178.6-3.500109.6G2 T6G2-Q4 PolarHBondContact O-N 3.23Å; Q4-T6 PolarHBondContact O-N 2.82Å
5K74.8Confident75.3Confident205 Ų205174.1 Ų174.189%0.89187%0.868SS**PPolyproline II helixtrans-72121.6178.5-74.7-178.8178.5175.40109.6K3K3-K5 PolarHBondContact O-N 3.09Å
6T79.8Confident75.7Confident134 Ų134169.7 Ų169.782%0.82285%0.847SS**PPolyproline II helixtrans-68.2136175.946.60000110.7Q4Q4-T6 PolarHBondContact O-N 2.82Å
7K79.8Confident75.8Confident201 Ų201166.2 Ų166.287%0.87483%0.831SS**PPolyproline II helixtrans-71.8138.5177.9-69.2-177.7-179.2177.20109.8
8K81.6Confident75.5Confident190 Ų190163.3 Ų163.383%0.82682%0.819SS**PPolyproline II helixtrans-79.9131.4175.3-65.9-171.5177.5-1730110
9F81.3Confident75.3Confident205 Ų205166.2 Ų166.290%0.89982%0.819SS**THydrogen-bonded Turntrans-71.8149172.9-72-88.5000110.8A11F9-A11 PolarHBondContact O-N 2.86Å
10A78.9Confident75.6Confident92 Ų92159.3 Ų159.376%0.7679%0.785SS**THydrogen-bonded Turntrans58.834.1179.800000116.3M12A10-M12 PolarHBondContact O-N 3.43Å; A10-M12 VanDerWaalsContact O-N 3.1Å
11A83Confident75.7Confident91 Ų91159.1 Ų159.175%0.75278%0.782SS**  trans-68.2106.9172.700000111.1F9F9-A11 PolarHBondContact O-N 2.86Å
12M82.8Confident77.2Confident167 Ų167155.8 Ų155.882%0.82376%0.756SS**PPolyproline II helixtrans-93.9154.9175.2-64.4-177179.100111.8A10 R14A10-M12 PolarHBondContact O-N 3.43Å; A10-M12 VanDerWaalsContact O-N 3.1Å; M12-R14 PolarHBondContact O-N 3.04Å
13K84.3Confident78.2Confident191 Ų191154.1 Ų154.183%0.8373%0.729SS**PPolyproline II helixtrans-62.2131170.4-171.5175.6-178.5178.60109M15K13-M15 PolarHBondContact O-N 3.05Å; K13-M15 VanDerWaalsContact O-N 3.14Å
14R83.1Confident78.9Confident248 Ų248151.6 Ų151.694%0.93672%0.718SS**PPolyproline II helixtrans-63.3116179.1-66.4-177.4-178.5177.80.2109.6M12M12-R14 PolarHBondContact O-N 3.04Å
15M81.9Confident78.9Confident163 Ų163150 Ų15080%0.80371%0.711SS**PPolyproline II helixtrans-99.4156.3170.9-59.3-171.7-15300109.9K13 N17K13-M15 PolarHBondContact O-N 3.05Å; K13-M15 VanDerWaalsContact O-N 3.14Å; M15-N17 PolarHBondContact O-N 3.28Å
16I81.8Confident78.7Confident103 Ų103149.3 Ų149.353%0.52871%0.708SS.*PPolyproline II helixtrans-65.4130175.2-161.7168.7000109.4D20 I23I16-D20 HydrophobicContact CD1-CB 4.18Å; I16-D20 HydrophobicContact CG1-CB 3.73Å; I16-I23 HydrophobicContact CD1-CD1 4.12Å; I16-I23 HydrophobicContact CD1-CG1 3.9Å; I16-I23 HydrophobicContact CG1-CD1 4.11Å; I16-I23 HydrophobicContact CG1-CG1 4.4Å; I16-I23 HydrophobicContact CG2-CD1 4.34Å
17N77.1Confident78Confident110 Ų110148.7 Ų148.759%0.58870%0.699SS**PPolyproline II helixtrans-80.3143.9-179.7-162.2-13.3000109.2M15 R19 D20 I23M15-N17 PolarHBondContact O-N 3.28Å; N17-R19 PolarHBondContact O-N 2.86Å; N17-D20 WeakPolarHBondContact O-CB 3.45Å; N17-D20 PolarHBondContact O-N 3.13Å; N17-I23 VanDerWaalsContact O-CD1 3.25Å; N17-I23 WeakPolarHBondContact O-CD1 3.22Å
18L70.8Confident77.3Confident115 Ų115143 Ų14360%0.60267%0.672SS**THydrogen-bonded Turntrans-59-20.1178.5-90.776.5000113.1R28L18-R28 VanDerWaalsContact O-CD 3.28Å; L18-R28 WeakPolarHBondContact O-CD 3.19Å; L18-R28 WeakPolarHBondContact O-CG 3.29Å; L18-R28 PolarHBondContact O-NE 3.03Å
19R71.6Confident76.3Confident218 Ų218136.7 Ų136.782%0.82366%0.656SS**THydrogen-bonded Turntrans-90.61.6176.7-61-177.7-178.8177.70.1114N17 H21 R28N17-R19 PolarHBondContact O-N 2.86Å; R19-H21 PolarHBondContact O-N 3.01Å; R19-R28 PolarHBondContact O-NH2 3.1Å
20D81.3Confident75.3Confident28 Ų28135.6 Ų135.615%0.1565%0.65CS.*  trans-66.2123.1-179.2-169.9-44.4000110.5I16 N17 R22 I23 R28I16-D20 HydrophobicContact CD1-CB 4.18Å; I16-D20 HydrophobicContact CG1-CB 3.73Å; N17-D20 WeakPolarHBondContact O-CB 3.45Å; N17-D20 PolarHBondContact O-N 3.13Å; D20-R22 PolarHBondContact O-N 2.91Å; D20-R22 WeakPolarHBondContact OD1-CB 3.1Å; D20-R22 IonicContact OD1-CZ 3.91Å; D20-R22 PolarHBondContact OD1-N 2.98Å; D20-R22 IonicContact OD1-NE 3.97Å; D20-R22 PolarHBondContact OD1-NE 3.18Å; D20-R22 IonicContact OD1-NH2 3.85Å; D20-R22 IonicContact OD2-CZ 2.84Å; D20-R22 IonicContact OD2-NE 3.06Å; D20-R22 PolarHBondContact OD2-NE 3.08Å; D20-R22 IonicContact OD2-NH2 3.39Å; D20-R22 PolarHBondContact OD2-NH2 3.27Å; D20-I23 HydrophobicContact CB-CD1 4.39Å; D20-I23 HydrophobicContact CB-CG1 4.43Å; D20-I23 PolarHBondContact O-N 3.13Å; D20-R28 PolarHBondContact O-NH2 3.25Å
21H77.4Confident74.2Confident156 Ų156140.1 Ų140.172%0.72266%0.656SS**THydrogen-bonded Turntrans-48.6-22.5179.772.4-72.6000115R19 I23R19-H21 PolarHBondContact O-N 3.01Å; H21-I23 VanDerWaalsContact C-N 3.33Å
22R80.3Confident72.9Confident182 Ų182144.6 Ų144.669%0.68766%0.659SS**THydrogen-bonded Turntrans-74.1-18.9176.4-67.5174.5-80.1-172.1-5.1114.1D20D20-R22 PolarHBondContact O-N 2.91Å; D20-R22 WeakPolarHBondContact OD1-CB 3.1Å; D20-R22 IonicContact OD1-CZ 3.91Å; D20-R22 PolarHBondContact OD1-N 2.98Å; D20-R22 IonicContact OD1-NE 3.97Å; D20-R22 PolarHBondContact OD1-NE 3.18Å; D20-R22 IonicContact OD1-NH2 3.85Å; D20-R22 IonicContact OD2-CZ 2.84Å; D20-R22 IonicContact OD2-NE 3.06Å; D20-R22 PolarHBondContact OD2-NE 3.08Å; D20-R22 IonicContact OD2-NH2 3.39Å; D20-R22 PolarHBondContact OD2-NH2 3.27Å
23I78.3Confident71.5Confident39 Ų39144.2 Ų144.220%0.266%0.66CS.*SBendtrans-86.4124.2175.9-52.6175000108.7I16 N17 D20 H21 D27 R28I16-I23 HydrophobicContact CD1-CD1 4.12Å; I16-I23 HydrophobicContact CD1-CG1 3.9Å; I16-I23 HydrophobicContact CG1-CD1 4.11Å; I16-I23 HydrophobicContact CG1-CG1 4.4Å; I16-I23 HydrophobicContact CG2-CD1 4.34Å; N17-I23 VanDerWaalsContact O-CD1 3.25Å; N17-I23 WeakPolarHBondContact O-CD1 3.22Å; D20-I23 HydrophobicContact CB-CD1 4.39Å; D20-I23 HydrophobicContact CB-CG1 4.43Å; D20-I23 PolarHBondContact O-N 3.13Å; H21-I23 VanDerWaalsContact C-N 3.33Å; I23-D27 HydrophobicContact CG2-CB 4.14Å; I23-R28 HydrophobicContact CB-CG 4Å; I23-R28 HydrophobicContact CG2-CG 3.5Å; I23-R28 VanDerWaalsContact CG2-CG 3.5Å; I23-R28 PolarHBondContact O-NE 3.44Å; I23-R28 PolarHBondContact O-NH2 3Å
24K78.1Confident70.3Confident155 Ų155144.7 Ų144.767%0.67466%0.662SS**  trans-65142176.2-64.1176.1-178.2174.40110.2K26 D27 R28K24-K26 PolarHBondContact O-N 3.43Å; K24-D27 PolarHBondContact O-N 3.14Å; K24-R28 PolarHBondContact O-N 2.89Å; K24-R28 VanDerWaalsContact O-N 3.13Å
25E69.1Low68.8Low157 Ų157141.7 Ų141.773%0.73466%0.656SS**Hα-helixtrans-55.9-29.4-179.7-78.1-174.3132.700114.1D27 R28 A29E25-D27 VanDerWaalsContact C-N 3.29Å; E25-D27 PolarHBondContact O-N 2.95Å; E25-R28 PolarHBondContact O-N 3.14Å; E25-A29 PolarHBondContact O-N 3.28Å
26K70.2Confident67.5Low190 Ų190143.9 Ų143.983%0.82666%0.661SS**Hα-helixtrans-62.7-34.9175.8-64.7-176.2179.7-179.10112.9K24K24-K26 PolarHBondContact O-N 3.43Å
27D66.5Low66.4Low122 Ų122146 Ų14665%0.65267%0.666SS**Hα-helixtrans-90-19.4180-53.9-40.2000111.7I23 K24 E25I23-D27 HydrophobicContact CG2-CB 4.14Å; K24-D27 PolarHBondContact O-N 3.14Å; E25-D27 VanDerWaalsContact C-N 3.29Å; E25-D27 PolarHBondContact O-N 2.95Å
28R64.4Low65.6Low81 Ų81145.9 Ų145.931%0.30667%0.665SS.*Hα-helixtrans-77.1-31.6172.1-65.7-175.2-174.9173.5-1.5113L18 R19 D20 I23 K24 E25 K30L18-R28 VanDerWaalsContact O-CD 3.28Å; L18-R28 WeakPolarHBondContact O-CD 3.19Å; L18-R28 WeakPolarHBondContact O-CG 3.29Å; L18-R28 PolarHBondContact O-NE 3.03Å; R19-R28 PolarHBondContact O-NH2 3.1Å; D20-R28 PolarHBondContact O-NH2 3.25Å; I23-R28 HydrophobicContact CB-CG 4Å; I23-R28 HydrophobicContact CG2-CG 3.5Å; I23-R28 VanDerWaalsContact CG2-CG 3.5Å; I23-R28 PolarHBondContact O-NE 3.44Å; I23-R28 PolarHBondContact O-NH2 3Å; K24-R28 PolarHBondContact O-N 2.89Å; K24-R28 VanDerWaalsContact O-N 3.13Å; E25-R28 PolarHBondContact O-N 3.14Å; R28-K30 PolarHBondContact O-N 3.09Å
29A60.9Low65.2Low57 Ų57146.5 Ų146.547%0.47168%0.676SS.*SBendtrans-68105.8178.400000108.5E25 Q31E25-A29 PolarHBondContact O-N 3.28Å; A29-Q31 PolarHBondContact O-N 3.36Å
30K60.1Low65Low182 Ų182141.6 Ų141.679%0.79168%0.675SS**  trans-47.2130.2150-75.3-177176.6-1770105.7R28 K32R28-K30 PolarHBondContact O-N 3.09Å; K30-K32 PolarHBondContact O-N 3.49Å
31Q56.1Low64.6Low188 Ų188145.3 Ų145.388%0.87969%0.692SS**  trans-42.7110.9172.3-78.8-178.4-2.400106.1A29 D33A29-Q31 PolarHBondContact O-N 3.36Å; Q31-D33 PolarHBondContact O-N 3.06Å
32K54.6Low64.4Low185 Ų185143.9 Ų143.980%0.80469%0.694SS**  trans-53.8116.8-174.6-76.2178.9176.3175.80105.1K30 K34K30-K32 PolarHBondContact O-N 3.49Å; K32-K34 PolarHBondContact O-N 3.49Å
33D54.4Low64Low158 Ų158142.1 Ų142.185%0.84569%0.691SS**  trans-44.3116.9163.5-78.8-52000105.1Q31 K35Q31-D33 PolarHBondContact O-N 3.06Å; D33-K35 PolarHBondContact O-N 2.67Å
34K57.6Low63.8Low202 Ų202148.9 Ų148.988%0.87872%0.722SS**  trans-42118.4-172.8-70.5174.2178.6175.60106.4K32 K36K32-K34 PolarHBondContact O-N 3.49Å; K34-K36 PolarHBondContact O-N 3.25Å; K34-K36 VanDerWaalsContact O-N 3.08Å
35K53.3Low63.9Low185 Ų185151.8 Ų151.880%0.80473%0.729SS**  trans-35.4123.8176-90.4-178.7170.2-174.20107.1D33 K37D33-K35 PolarHBondContact O-N 2.67Å; K35-K37 VanDerWaalsContact C-N 3.28Å; K35-K37 PolarHBondContact O-N 2.81Å
36K54.1Low64.5Low209 Ų209153.3 Ų153.391%0.90974%0.736SS**  trans-54.3102.7168.9-81.5-179176.4178.20105.4K34K34-K36 PolarHBondContact O-N 3.25Å; K34-K36 VanDerWaalsContact O-N 3.08Å
37K58.5Low65Low148 Ų148149.9 Ų149.964%0.64373%0.731SS**  trans-56.7139.4179.4-67.5-172.4175.6-168.30108.1K35K35-K37 VanDerWaalsContact C-N 3.28Å; K35-K37 PolarHBondContact O-N 2.81Å
38D60Low65.7Low107 Ų107150.1 Ų150.157%0.57274%0.737SS**  trans-49.4139.6-176.4-66.8-76.3000111.2S40 E41D38-S40 PolarHBondContact O-N 2.88Å; D38-S40 VanDerWaalsContact O-N 3.09Å; D38-E41 HydrophobicContact CB-CG 4.48Å; D38-E41 PolarHBondContact O-N 2.88Å
39P63Low66.6Low128 Ų128155.6 Ų155.683%0.83176%0.763SS**THydrogen-bonded Turntrans-59.9-21.8-178.5-22.232.4000114.1
40S67.3Low67.5Low115 Ų115159.8 Ų159.880%0.80477%0.767SS**THydrogen-bonded Turntrans-90.4-11.2-176.3-44.90000114D38 V42D38-S40 PolarHBondContact O-N 2.88Å; D38-S40 VanDerWaalsContact O-N 3.09Å; S40-V42 PolarHBondContact O-N 2.93Å
41E72.6Confident68.5Low105 Ų105153.4 Ų153.449%0.49174%0.744SS.*SBendtrans-73.2122170.6-79.7-175.9159.500108.8D38 K43D38-E41 HydrophobicContact CB-CG 4.48Å; D38-E41 PolarHBondContact O-N 2.88Å; E41-K43 PolarHBondContact O-N 3.28Å
42V72Confident69.6Low127 Ų127150.5 Ų150.577%0.7775%0.745SS**  trans-56108.9169.81790000107.1S40 E44S40-V42 PolarHBondContact O-N 2.93Å; V42-E44 HydrophobicContact CG1-CG 4.45Å; V42-E44 PolarHBondContact O-N 2.69Å
43K71.9Confident70.7Confident144 Ų144142.5 Ų142.563%0.62671%0.712SS**  trans-70.988.8172.3-72.7177.9-176.11680107.3E41 R45E41-K43 PolarHBondContact O-N 3.28Å; K43-R45 PolarHBondContact O-N 2.92Å
44E74.9Confident71.8Confident182 Ų182135.9 Ų135.985%0.8568%0.676SS**  trans-56.9108169.8-67.8-177.8169.600108.2V42V42-E44 HydrophobicContact CG1-CG 4.45Å; V42-E44 PolarHBondContact O-N 2.69Å
45R80.4Confident72.6Confident216 Ų216132.8 Ų132.882%0.81566%0.663SS**  trans-94.7102.9172.1-71.2-177.6-178.3-1801.2106.7K43 V47K43-R45 PolarHBondContact O-N 2.92Å; R45-V47 PolarHBondContact O-N 3.43Å
46E81.4Confident73.8Confident189 Ų189131.7 Ų131.788%0.88366%0.658SS**  trans-70.6104.2171-167.6178.7178.700108.4
47V81.2Confident74.7Confident118 Ų118128.4 Ų128.472%0.71565%0.646SS**PPolyproline II helixtrans-102.9118171.6-177.40000107.1R45 K49R45-V47 PolarHBondContact O-N 3.43Å; V47-K49 PolarHBondContact O-N 3.49Å
48T81.2Confident75.4Confident127 Ų127125.8 Ų125.878%0.77963%0.633SS**PPolyproline II helixtrans-65120175.243.70000109.5
49K82.4Confident76.3Confident196 Ų196121 Ų12185%0.85261%0.607SS**PPolyproline II helixtrans-72.3145.8175.3-66.9-176.7-179.8179.10109.9V47V47-K49 PolarHBondContact O-N 3.49Å
50Y80.1Confident76.8Confident144 Ų144119.2 Ų119.257%0.56559%0.594SS**PPolyproline II helixtrans-68133.9171.9-134.1-95.9000109.4M54 P171Y50-M54 HydrophobicContact CD1-CB 3.91Å; Y50-M54 HydrophobicContact CD1-CG 4.33Å; Y50-M54 HydrophobicContact CE1-CB 3.7Å; Y50-M54 HydrophobicContact CE1-CG 4.01Å; Y50-P171 VanDerWaalsContact OH-CG 3.22Å; Y50-P171 WeakPolarHBondContact OH-CG 3.41Å
51P81.7Confident77.2Confident48 Ų48119.4 Ų119.431%0.31258%0.582SS.*PPolyproline II helixtrans-68.6144.1179.826.6-32.6000111C53 M54 K152P51-C53 VanDerWaalsContact C-N 3.26Å; P51-C53 PolarHBondContact O-N 3.14Å; P51-M54 HydrophobicContact CG-CG 3.79Å; P51-M54 PolarHBondContact O-N 2.98Å; P51-K152 HydrophobicContact CG-CD 3.87Å
52S80.1Confident77.6Confident128 Ų128115.6 Ų115.690%0.89557%0.565SS**THydrogen-bonded Turntrans-67.4-22-176.450.60000114.2M54S52-M54 PolarHBondContact O-N 3.29Å
53C76.8Confident78.1Confident16 Ų16111 Ų11111%0.10854%0.544CS..THydrogen-bonded Turntrans-71.2-6.3177.756.30000114.5P51 T60 Q61P51-C53 VanDerWaalsContact C-N 3.26Å; P51-C53 PolarHBondContact O-N 3.14Å; C53-T60 PolarHBondContact O-N 2.91Å; C53-T60 PolarHBondContact O-OG1 2.82Å; C53-Q61 HydrophobicContact CB-CB 3.75Å
54M77.2Confident78.8Confident20 Ų20108.3 Ų108.310%0.09954%0.541CS..EExtended strand (participates in β ladder)trans-99.7117.5-177.6-65.5-70-56.600110.8Y50 P51 S52 F56 Q57 Y58 N59 K152 P171Y50-M54 HydrophobicContact CD1-CB 3.91Å; Y50-M54 HydrophobicContact CD1-CG 4.33Å; Y50-M54 HydrophobicContact CE1-CB 3.7Å; Y50-M54 HydrophobicContact CE1-CG 4.01Å; P51-M54 HydrophobicContact CG-CG 3.79Å; P51-M54 PolarHBondContact O-N 2.98Å; S52-M54 PolarHBondContact O-N 3.29Å; M54-F56 WeakPolarHBondContact CE-O 3.39Å; M54-Q57 VanDerWaalsContact CE-C 3.49Å; M54-Q57 WeakPolarHBondContact CE-O 3.28Å; M54-Y58 CarbonylContact C-O 3.57Å; M54-Y58 WeakPolarHBondContact CA-O 3.4Å; M54-N59 HydrophobicContact SD-CB 3.8Å; M54-K152 HydrophobicContact CG-CD 4.07Å; M54-K152 HydrophobicContact SD-CD 3.8Å; M54-P171 HydrophobicContact CE-CB 4.08Å
55F74.5Confident79.6Confident137 Ų137102.2 Ų102.260%0.60152%0.518SS*.EExtended strand (participates in β ladder)trans-93.797.3161.3-174-103.6000108.5Q57 Y58F55-Q57 PolarHBondContact O-N 2.89Å; F55-Y58 PolarHBondContact N-O 3.2Å; F55-Y58 WeakPolarHBondContact O-CB 3.39Å; F55-Y58 PolarHBondContact O-N 3.49Å
56F78.9Confident80.2Confident161 Ų16193 Ų9371%0.70648%0.483SS*.THydrogen-bonded Turntrans54.1-106.1-166.1-58.9-76.2000112.3M54M54-F56 WeakPolarHBondContact CE-O 3.39Å
57Q72.5Confident80.8Confident140 Ų14086.9 Ų86.965%0.65445%0.454SS*.THydrogen-bonded Turntrans-102.1-9.9176.4-62-173.114.500113.1M54 F55 P171M54-Q57 VanDerWaalsContact CE-C 3.49Å; M54-Q57 WeakPolarHBondContact CE-O 3.28Å; F55-Q57 PolarHBondContact O-N 2.89Å; Q57-P171 HydrophobicContact CG-CB 4.46Å
58Y73.2Confident81.5Confident93 Ų9381.3 Ų81.337%0.36542%0.42SS..EExtended strand (participates in β ladder)trans-81.4135.4177.1-177.1-88.7000109.8M54 F55 T60 P189M54-Y58 CarbonylContact C-O 3.57Å; M54-Y58 WeakPolarHBondContact CA-O 3.4Å; F55-Y58 PolarHBondContact N-O 3.2Å; F55-Y58 WeakPolarHBondContact O-CB 3.39Å; F55-Y58 PolarHBondContact O-N 3.49Å; Y58-T60 HydrophobicContact CD1-CG2 3.69Å; Y58-T60 HydrophobicContact CE1-CG2 3.65Å; Y58-P189 HydrophobicContact CD2-CB 3.46Å; Y58-P189 VanDerWaalsContact CD2-CB 3.46Å; Y58-P189 HydrophobicContact CD2-CG 3.46Å; Y58-P189 VanDerWaalsContact CD2-CG 3.46Å; Y58-P189 HydrophobicContact CE2-CB 3.32Å; Y58-P189 HydrophobicContact CE2-CG 3.11Å
59N78.6Confident82.2Confident6 Ų675.2 Ų75.23%0.03238%0.383CS..EExtended strand (participates in β ladder)trans-109.9107.2-179.1-177.1-3.1000109.3M54 Q61 L62 K152 G172M54-N59 HydrophobicContact SD-CB 3.8Å; N59-Q61 PolarHBondContact O-N 3.36Å; N59-Q61 WeakPolarHBondContact OD1-CB 3.16Å; N59-Q61 PolarHBondContact OD1-N 2.98Å; N59-Q61 VanDerWaalsContact OD1-N 3.15Å; N59-L62 HydrophobicContact CB-CD1 3.9Å; N59-L62 HydrophobicContact CB-CG 4.29Å; N59-K152 PolarHBondContact ND2-O 2.97Å; N59-G172 PolarHBondContact ND2-O 3.13Å
60T73.6Confident82.8Confident91 Ų9166 Ų6656%0.55834%0.343SS*.THydrogen-bonded Turntrans-76.6-10.2-176.361.20000112.9C53 Y58C53-T60 PolarHBondContact O-N 2.91Å; C53-T60 PolarHBondContact O-OG1 2.82Å; Y58-T60 HydrophobicContact CD1-CG2 3.69Å; Y58-T60 HydrophobicContact CE1-CG2 3.65Å
61Q75.3Confident83.5Confident119 Ų11959.1 Ų59.156%0.55632%0.316SS*.THydrogen-bonded Turntrans-88.9-8-176.7-166.9173.913.600112.8C53 N59 G63C53-Q61 HydrophobicContact CB-CB 3.75Å; N59-Q61 PolarHBondContact O-N 3.36Å; N59-Q61 WeakPolarHBondContact OD1-CB 3.16Å; N59-Q61 PolarHBondContact OD1-N 2.98Å; N59-Q61 VanDerWaalsContact OD1-N 3.15Å; Q61-G63 PolarHBondContact O-N 3.02Å
62L82.6Confident83.9Confident25 Ų2556.9 Ų56.913%0.13130%0.301CS..  trans-81.3102.8174.4-67.8169000109.1N59 P174N59-L62 HydrophobicContact CB-CD1 3.9Å; N59-L62 HydrophobicContact CB-CG 4.29Å; L62-P174 HydrophobicContact CD1-CG 3.58Å
63G81.9Confident84.5Confident32 Ų3253.8 Ų53.833%0.3328%0.275SS..  trans-143.5167.1174.300000111.4Q61 P65Q61-G63 PolarHBondContact O-N 3.02Å; G63-P65 CarbonylContact O-C 3.56Å; G63-P65 VanDerWaalsContact O-C 3.29Å; G63-P65 VanDerWaalsContact O-O 3.14Å
64P85.6Confident85.3Confident86 Ų8653 Ų5356%0.55827%0.27SS*.SBendtrans-61.1137171.8-22.234000111.2Y66 A95P64-Y66 HydrophobicContact CG-CE2 4.04Å; P64-A95 HydrophobicContact CB-CB 4.1Å; P64-A95 HydrophobicContact CG-CB 3.86Å
65P91.9Very high86.1Confident55 Ų5552 Ų5236%0.35727%0.265SS..SBendcis-74.7133.6-2.130.8-34000112.8G63 H67 K96 I98G63-P65 CarbonylContact O-C 3.56Å; G63-P65 VanDerWaalsContact O-C 3.29Å; G63-P65 VanDerWaalsContact O-O 3.14Å; P65-H67 PolarHBondContact O-N 2.9Å; P65-K96 CarbonylContact C-O 3.55Å; P65-K96 VanDerWaalsContact CA-O 3.32Å; P65-K96 WeakPolarHBondContact CA-O 3.41Å; P65-K96 HydrophobicContact CB-CB 4.42Å; P65-K96 HydrophobicContact CB-CD 4.4Å; P65-K96 HydrophobicContact CB-CG 4.32Å; P65-I98 HydrophobicContact CB-CD1 3.93Å; P65-I98 HydrophobicContact CB-CG1 4.31Å; P65-I98 HydrophobicContact CG-CD1 4.21Å
66Y92.9Very high87Confident23 Ų2346.1 Ų46.19%0.0924%0.239CC..EExtended strand (participates in β ladder)trans-76.8127.6179.2-68-63.3000111.5P64 L93 A95 K96 I98 I155 M188P64-Y66 HydrophobicContact CG-CE2 4.04Å; Y66-L93 HydrophobicContact CD2-CB 3.93Å; Y66-L93 HydrophobicContact CD2-CD1 3.78Å; Y66-L93 HydrophobicContact CD2-CD2 4.42Å; Y66-L93 HydrophobicContact CD2-CG 4.27Å; Y66-L93 HydrophobicContact CE2-CB 4.08Å; Y66-L93 HydrophobicContact CE2-CD2 4.37Å; Y66-L93 HydrophobicContact CG-CD1 4.01Å; Y66-A95 HydrophobicContact CD2-CB 3.8Å; Y66-A95 HydrophobicContact CE2-CB 3.55Å; Y66-K96 PolarHBondContact N-O 3.22Å; Y66-I98 PolarHBondContact O-N 3.02Å; Y66-I155 HydrophobicContact CD1-CD1 3.9Å; Y66-I155 HydrophobicContact CG-CD1 4.07Å; Y66-M188 HydrophobicContact CD1-CE 4.46Å; Y66-M188 HydrophobicContact CE1-CE 3.53Å; Y66-M188 HydrophobicContact CE2-CE 4.39Å; Y66-M188 VanDerWaalsContact CZ-CE 3.49Å; Y66-M188 VanDerWaalsContact OH-CE 3.28Å; Y66-M188 WeakPolarHBondContact OH-CE 3.28Å
67H94.4Very high87.7Confident60 Ų6042.6 Ų42.628%0.27822%0.224SC..EExtended strand (participates in β ladder)trans-93.6114.3175.7-56.2-72.7000109.9P65 Y100 Y154 I155P65-H67 PolarHBondContact O-N 2.9Å; H67-Y100 HydrophobicContact CB-CD2 3.88Å; H67-Y100 HydrophobicContact CB-CE2 3.43Å; H67-Y100 VanDerWaalsContact CB-CE2 3.43Å; H67-Y100 PolarHBondContact CE1-OH 3.05Å; H67-Y100 AromaticContact CG-CE2 3.62Å; H67-Y100 AromaticContact ND1-CE2 3.15Å; H67-Y100 WeakPolarHBondContact ND1-CE2 3.33Å; H67-Y100 AromaticContact ND1-CZ 3.44Å; H67-Y100 PolarHBondContact ND1-OH 2.81Å; H67-Y154 HydrophobicContact CB-CD1 3.74Å; H67-Y154 HydrophobicContact CB-CE1 4Å; H67-Y154 WeakPolarHBondContact O-CA 3.43Å; H67-I155 PolarHBondContact O-N 3.28Å
68I95.3Very high88.7Confident0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-113.7115.5-172.8-54.2172.5000110M89 L93 C97 I98 P99 Y100 I155 A157 M176I68-M89 HydrophobicContact CB-CE 4.49Å; I68-M89 HydrophobicContact CB-SD 4.44Å; I68-M89 HydrophobicContact CD1-CB 3.99Å; I68-M89 HydrophobicContact CD1-CE 4.4Å; I68-M89 HydrophobicContact CD1-CG 3.8Å; I68-M89 HydrophobicContact CD1-SD 3.64Å; I68-M89 HydrophobicContact CG2-CE 3.89Å; I68-M89 HydrophobicContact CG2-SD 4.4Å; I68-L93 HydrophobicContact CD1-CD1 3.86Å; I68-C97 HydrophobicContact CD1-CB 3.82Å; I68-I98 PolarHBondContact N-O 3.47Å; I68-P99 CarbonylContact O-C 3.44Å; I68-P99 WeakPolarHBondContact O-CA 3.16Å; I68-Y100 PolarHBondContact O-N 3.14Å; I68-I155 CarbonylContact C-O 3.55Å; I68-I155 WeakPolarHBondContact CA-O 3.47Å; I68-I155 HydrophobicContact CG1-CB 4.19Å; I68-I155 HydrophobicContact CG1-CD1 4.5Å; I68-I155 HydrophobicContact CG2-CG2 4.46Å; I68-A157 HydrophobicContact CG2-CB 3.69Å; I68-M176 HydrophobicContact CD1-CE 4.01Å; I68-M176 HydrophobicContact CD1-SD 4.45Å
69L96.1Very high89.7Confident0 Ų034.3 Ų34.30%019%0.19CC..EExtended strand (participates in β ladder)trans-78.7123.5172.7-70.8170.5000110.1T102 L131 L144 R147 V148 Y154 I155 L156 A157L69-T102 HydrophobicContact CD2-CG2 4.19Å; L69-L131 HydrophobicContact CD2-CD1 3.56Å; L69-L144 HydrophobicContact CB-CD2 4.14Å; L69-L144 HydrophobicContact CD1-CD2 4.4Å; L69-R147 HydrophobicContact CD1-CG 4.33Å; L69-V148 HydrophobicContact CD1-CG2 3.58Å; L69-Y154 HydrophobicContact CD1-CD1 4.14Å; L69-Y154 HydrophobicContact CD1-CD2 3.99Å; L69-Y154 HydrophobicContact CD1-CG 3.66Å; L69-Y154 HydrophobicContact CD2-CD1 4.23Å; L69-Y154 HydrophobicContact CD2-CE1 4.46Å; L69-Y154 HydrophobicContact CG-CD1 3.82Å; L69-Y154 HydrophobicContact CG-CG 3.86Å; L69-I155 PolarHBondContact N-O 3.41Å; L69-L156 HydrophobicContact CB-CD1 3.91Å; L69-A157 PolarHBondContact O-N 2.93Å
70V95.5Very high90.3Very high1 Ų141.2 Ų41.21%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-102.6131.1-175.3179.60000111.1F74 I75 M89 P99 Y100 I101 F128V70-F74 HydrophobicContact CG1-CD1 4.24Å; V70-I75 HydrophobicContact CG1-CD1 3.75Å; V70-I75 HydrophobicContact CG1-CG1 3.44Å; V70-I75 VanDerWaalsContact CG1-CG1 3.44Å; V70-M89 HydrophobicContact CG2-CE 3.88Å; V70-P99 HydrophobicContact CG2-CB 4.04Å; V70-Y100 PolarHBondContact N-O 3.22Å; V70-I101 HydrophobicContact CB-CG1 4.2Å; V70-F128 HydrophobicContact CG2-CE1 4.28Å
71D94.2Very high91.2Very high0 Ų037.9 Ų37.90%020%0.201CC..PPolyproline II helixtrans-92.6154.8174-176.117.8000111.9N73 F74 I75 L144 A157 T158D71-N73 VanDerWaalsContact C-N 3.34Å; D71-N73 PolarHBondContact O-N 3.3Å; D71-F74 HydrophobicContact CB-CB 4.38Å; D71-F74 WeakPolarHBondContact O-CB 3.46Å; D71-F74 PolarHBondContact O-N 3.23Å; D71-I75 PolarHBondContact O-N 3.37Å; D71-L144 HydrophobicContact CB-CD1 4.3Å; D71-A157 WeakPolarHBondContact CB-O 3.37Å; D71-A157 PolarHBondContact N-O 3.08Å; D71-T158 PolarHBondContact OD2-OG1 3.23Å
72T91.9Very high92Very high1 Ų141.4 Ų41.41%0.00622%0.215CC..Hα-helixtrans-59.7-44.7-179.359.50000111.6F74 I75 N76 V105 E108 I109T72-F74 VanDerWaalsContact C-N 3.29Å; T72-F74 PolarHBondContact O-N 2.88Å; T72-I75 PolarHBondContact O-N 3.17Å; T72-N76 VanDerWaalsContact O-CG 3.26Å; T72-N76 PolarHBondContact O-N 3.38Å; T72-N76 PolarHBondContact O-ND2 3.04Å; T72-N76 VanDerWaalsContact O-ND2 3.17Å; T72-V105 HydrophobicContact CG2-CB 4.2Å; T72-V105 HydrophobicContact CG2-CG1 3.51Å; T72-V105 WeakPolarHBondContact CG2-O 2.94Å; T72-E108 HydrophobicContact CG2-CB 3.88Å; T72-E108 HydrophobicContact CG2-CG 3.92Å; T72-E108 VanDerWaalsContact CG2-OE2 3.29Å; T72-E108 WeakPolarHBondContact CG2-OE2 3.35Å; T72-E108 PolarHBondContact OG1-OE2 3.16Å; T72-I109 HydrophobicContact CG2-CD1 4.16Å; T72-I109 HydrophobicContact CG2-CG1 3.58Å
73N91.4Very high92.5Very high63 Ų6342 Ų4234%0.33722%0.218SC..Hα-helixtrans-62.4-37.8178.6-75.3-38.2000111.7D71 I75 N76 F77D71-N73 VanDerWaalsContact C-N 3.34Å; D71-N73 PolarHBondContact O-N 3.3Å; N73-I75 PolarHBondContact O-N 3.41Å; N73-N76 WeakPolarHBondContact O-CB 3.11Å; N73-N76 PolarHBondContact O-N 3.16Å; N73-F77 WeakPolarHBondContact O-CD2 3.2Å; N73-F77 PolarHBondContact O-N 2.75Å
74F94.8Very high93Very high0 Ų044.5 Ų44.50%022%0.224CC..Hα-helixtrans-61.1-46179.2-172.2-91.8000111.6V70 D71 T72 N76 F77 S78 I85 M89 A157 V159 M176 I178 Y183V70-F74 HydrophobicContact CG1-CD1 4.24Å; D71-F74 HydrophobicContact CB-CB 4.38Å; D71-F74 WeakPolarHBondContact O-CB 3.46Å; D71-F74 PolarHBondContact O-N 3.23Å; T72-F74 VanDerWaalsContact C-N 3.29Å; T72-F74 PolarHBondContact O-N 2.88Å; F74-N76 VanDerWaalsContact C-N 3.29Å; F74-N76 PolarHBondContact O-N 2.99Å; F74-F77 PolarHBondContact O-N 3.3Å; F74-S78 WeakPolarHBondContact O-CB 3.32Å; F74-S78 PolarHBondContact O-N 3.2Å; F74-S78 PolarHBondContact O-OG 3.46Å; F74-I85 HydrophobicContact CE1-CG2 4.47Å; F74-M89 HydrophobicContact CE1-CE 3.87Å; F74-M89 HydrophobicContact CZ-CE 4.48Å; F74-A157 WeakPolarHBondContact CB-O 3.25Å; F74-A157 HydrophobicContact CD1-CB 3.99Å; F74-A157 HydrophobicContact CD2-CB 3.92Å; F74-A157 HydrophobicContact CE1-CB 4.02Å; F74-A157 HydrophobicContact CE2-CB 3.94Å; F74-A157 HydrophobicContact CG-CB 3.94Å; F74-A157 HydrophobicContact CZ-CB 4Å; F74-V159 HydrophobicContact CD2-CG2 4.03Å; F74-M176 HydrophobicContact CE2-CG 4.47Å; F74-M176 HydrophobicContact CZ-CG 4.42Å; F74-M176 HydrophobicContact CZ-SD 4.42Å; F74-I178 HydrophobicContact CD2-CD1 4.11Å; F74-I178 HydrophobicContact CD2-CG1 3.99Å; F74-I178 HydrophobicContact CE2-CD1 3.9Å; F74-I178 HydrophobicContact CE2-CG1 3.48Å; F74-I178 VanDerWaalsContact CE2-CG1 3.48Å; F74-I178 HydrophobicContact CZ-CD1 4.14Å; F74-I178 HydrophobicContact CZ-CG1 3.95Å; F74-Y183 HydrophobicContact CE1-CE1 4.27Å; F74-Y183 AromaticContact CE1-CE2 3.98Å; F74-Y183 HydrophobicContact CE1-CE2 3.98Å; F74-Y183 AromaticContact CE1-CZ 3.78Å; F74-Y183 HydrophobicContact CZ-CD1 4.02Å; F74-Y183 HydrophobicContact CZ-CD2 4.06Å; F74-Y183 AromaticContact CZ-CE1 3.74Å; F74-Y183 HydrophobicContact CZ-CE1 3.74Å; F74-Y183 AromaticContact CZ-CE2 3.76Å; F74-Y183 HydrophobicContact CZ-CE2 3.76Å; F74-Y183 HydrophobicContact CZ-CG 4.2Å; F74-Y183 AromaticContact CZ-CZ 3.63Å
75I93.8Very high93.4Very high0 Ų040.6 Ų40.60%020%0.198CC..Hα-helixtrans-58.8-44.4176-60.7175.4000110.2V70 D71 T72 N73 F77 S78 I79 I85 I101 I109 A119 A123V70-I75 HydrophobicContact CG1-CD1 3.75Å; V70-I75 HydrophobicContact CG1-CG1 3.44Å; V70-I75 VanDerWaalsContact CG1-CG1 3.44Å; D71-I75 PolarHBondContact O-N 3.37Å; T72-I75 PolarHBondContact O-N 3.17Å; N73-I75 PolarHBondContact O-N 3.41Å; I75-F77 PolarHBondContact O-N 2.93Å; I75-S78 WeakPolarHBondContact O-CB 3.46Å; I75-S78 PolarHBondContact O-N 3.47Å; I75-I79 HydrophobicContact CG2-CD1 3.94Å; I75-I79 VanDerWaalsContact O-CG1 3.32Å; I75-I79 WeakPolarHBondContact O-CG1 3.4Å; I75-I79 PolarHBondContact O-N 3.22Å; I75-I85 HydrophobicContact CB-CD1 4.36Å; I75-I85 HydrophobicContact CG1-CD1 4.09Å; I75-I85 HydrophobicContact CG2-CD1 4.12Å; I75-I101 HydrophobicContact CD1-CD1 4.14Å; I75-I109 HydrophobicContact CD1-CD1 3.86Å; I75-A119 HydrophobicContact CG2-CB 3.69Å; I75-A123 HydrophobicContact CD1-CB 4.37Å
76N92.5Very high93.4Very high12 Ų1238.8 Ų38.86%0.06419%0.186CC..Hα-helixtrans-63.9-41.9-179.1-64.1-27.6000112.7T72 N73 F74 K80 Y116T72-N76 VanDerWaalsContact O-CG 3.26Å; T72-N76 PolarHBondContact O-N 3.38Å; T72-N76 PolarHBondContact O-ND2 3.04Å; T72-N76 VanDerWaalsContact O-ND2 3.17Å; N73-N76 WeakPolarHBondContact O-CB 3.11Å; N73-N76 PolarHBondContact O-N 3.16Å; F74-N76 VanDerWaalsContact C-N 3.29Å; F74-N76 PolarHBondContact O-N 2.99Å; N76-K80 WeakPolarHBondContact O-CG 3.32Å; N76-K80 PolarHBondContact O-N 3.34Å; N76-K80 VanDerWaalsContact O-N 3.14Å; N76-Y116 HydrophobicContact CB-CE1 4.25Å; N76-Y116 WeakPolarHBondContact ND2-CE1 3.39Å; N76-Y116 WeakPolarHBondContact OD1-CD1 3.41Å; N76-Y116 WeakPolarHBondContact OD1-CE1 3.43Å
77F93.7Very high93.4Very high88 Ų8841.9 Ų41.939%0.38620%0.201SC..Hα-helixtrans-69.4-34.7175.1-82.5-76.7000112.1N73 F74 I75 K80 A81 V159 I178N73-F77 WeakPolarHBondContact O-CD2 3.2Å; N73-F77 PolarHBondContact O-N 2.75Å; F74-F77 PolarHBondContact O-N 3.3Å; I75-F77 PolarHBondContact O-N 2.93Å; F77-K80 PolarHBondContact O-N 3.35Å; F77-A81 WeakPolarHBondContact O-CB 3.4Å; F77-A81 PolarHBondContact O-N 3.24Å; F77-V159 HydrophobicContact CB-CG2 4.11Å; F77-V159 HydrophobicContact CD2-CB 3.83Å; F77-V159 HydrophobicContact CD2-CG1 3.92Å; F77-V159 HydrophobicContact CD2-CG2 3.93Å; F77-V159 HydrophobicContact CE2-CB 4.15Å; F77-V159 HydrophobicContact CE2-CG1 3.95Å; F77-V159 HydrophobicContact CG-CB 4.45Å; F77-V159 HydrophobicContact CG-CG1 4.32Å; F77-V159 HydrophobicContact CG-CG2 4.16Å; F77-V159 HydrophobicContact CZ-CG1 4.34Å; F77-I178 HydrophobicContact CB-CD1 3.74Å
78S94.3Very high93.4Very high0 Ų039.9 Ų39.90%019%0.194CC..Hα-helixtrans-61.8-45.2175.6-53.60000111.4F74 I75 K80 A81 K82 L83 I178 Y183F74-S78 WeakPolarHBondContact O-CB 3.32Å; F74-S78 PolarHBondContact O-N 3.2Å; F74-S78 PolarHBondContact O-OG 3.46Å; I75-S78 WeakPolarHBondContact O-CB 3.46Å; I75-S78 PolarHBondContact O-N 3.47Å; S78-K80 PolarHBondContact O-N 3.09Å; S78-A81 CarbonylContact O-C 3.56Å; S78-A81 PolarHBondContact O-N 2.93Å; S78-K82 PolarHBondContact O-N 3.27Å; S78-L83 PolarHBondContact O-N 2.82Å; S78-I178 WeakPolarHBondContact OG-CD1 3.34Å; S78-Y183 VanDerWaalsContact CB-OH 3.32Å; S78-Y183 WeakPolarHBondContact CB-OH 3.33Å; S78-Y183 PolarHBondContact OG-OH 2.9Å
79I92.8Very high93.3Very high59 Ų5939.9 Ų39.930%0.30319%0.194SC..Hα-helixtrans-62.3-44.2175.9-65.4163.9000110.8I75 A81 K82 V118 A119 I122I75-I79 HydrophobicContact CG2-CD1 3.94Å; I75-I79 VanDerWaalsContact O-CG1 3.32Å; I75-I79 WeakPolarHBondContact O-CG1 3.4Å; I75-I79 PolarHBondContact O-N 3.22Å; I79-A81 VanDerWaalsContact C-N 3.31Å; I79-A81 PolarHBondContact O-N 3.21Å; I79-K82 PolarHBondContact O-N 3.49Å; I79-K82 VanDerWaalsContact O-N 3.1Å; I79-V118 HydrophobicContact CD1-CB 4.49Å; I79-V118 HydrophobicContact CD1-CG1 4.17Å; I79-A119 HydrophobicContact CD1-CB 3.71Å; I79-I122 HydrophobicContact CD1-CD1 3.84Å; I79-I122 HydrophobicContact CG1-CD1 3.7Å
80K92.1Very high93.1Very high151 Ų15142.8 Ų42.866%0.65721%0.208SC*.Hα-helixtrans-61.6-39.6177.4-73.5174-176.8178.40112.3N76 F77 S78 K82N76-K80 WeakPolarHBondContact O-CG 3.32Å; N76-K80 PolarHBondContact O-N 3.34Å; N76-K80 VanDerWaalsContact O-N 3.14Å; F77-K80 PolarHBondContact O-N 3.35Å; S78-K80 PolarHBondContact O-N 3.09Å; K80-K82 PolarHBondContact O-N 2.63Å
81A92.4Very high92.9Very high20 Ų2046.9 Ų46.917%0.16523%0.23CC..THydrogen-bonded Turntrans-78.8-4177.300000113.6F77 S78 I79 L83F77-A81 WeakPolarHBondContact O-CB 3.4Å; F77-A81 PolarHBondContact O-N 3.24Å; S78-A81 CarbonylContact O-C 3.56Å; S78-A81 PolarHBondContact O-N 2.93Å; I79-A81 VanDerWaalsContact C-N 3.31Å; I79-A81 PolarHBondContact O-N 3.21Å; A81-L83 VanDerWaalsContact C-N 3.28Å; A81-L83 HydrophobicContact CB-CD1 3.89Å; A81-L83 HydrophobicContact CB-CG 3.91Å; A81-L83 PolarHBondContact O-N 3.03Å
82K92.9Very high92.7Very high194 Ų19448.2 Ų48.284%0.84324%0.239SC*.THydrogen-bonded Turntrans5837.7-176.4-54.3178.6-178.1178.30113.2S78 I79 K80S78-K82 PolarHBondContact O-N 3.27Å; I79-K82 PolarHBondContact O-N 3.49Å; I79-K82 VanDerWaalsContact O-N 3.1Å; K80-K82 PolarHBondContact O-N 2.63Å
83L93Very high92.6Very high36 Ų3649.1 Ų49.119%0.18824%0.244CC..  trans-98.1132.2179-64.7176000110.6S78 A81 I85 I178 H181 Y183S78-L83 PolarHBondContact O-N 2.82Å; A81-L83 VanDerWaalsContact C-N 3.28Å; A81-L83 HydrophobicContact CB-CD1 3.89Å; A81-L83 HydrophobicContact CB-CG 3.91Å; A81-L83 PolarHBondContact O-N 3.03Å; L83-I85 PolarHBondContact O-N 3.15Å; L83-I178 HydrophobicContact CD1-CG2 4.21Å; L83-H181 WeakPolarHBondContact CD2-O 3.38Å; L83-Y183 HydrophobicContact CB-CE1 4.31Å; L83-Y183 HydrophobicContact CD1-CD1 3.97Å; L83-Y183 HydrophobicContact CD1-CE1 3.55Å
84D92.6Very high92.5Very high86 Ų8655.1 Ų55.146%0.4626%0.263SS..  trans-73.4123.3165.4-178.45.8000108.6V86 Q87 S88 R127D84-V86 PolarHBondContact OD1-N 2.96Å; D84-Q87 HydrophobicContact CB-CB 4.09Å; D84-S88 WeakPolarHBondContact O-CB 3.37Å; D84-S88 PolarHBondContact O-N 2.93Å; D84-S88 PolarHBondContact O-OG 3.33Å; D84-R127 IonicContact OD2-NH1 3.93Å
85I92.7Very high92.4Very high4 Ų456.1 Ų56.12%0.02127%0.271CS..Hα-helixtrans-63.6-48.6-170-58.7-176.9000110.9F74 I75 L83 M89 I122 F128F74-I85 HydrophobicContact CE1-CG2 4.47Å; I75-I85 HydrophobicContact CB-CD1 4.36Å; I75-I85 HydrophobicContact CG1-CD1 4.09Å; I75-I85 HydrophobicContact CG2-CD1 4.12Å; L83-I85 PolarHBondContact O-N 3.15Å; I85-M89 HydrophobicContact CG2-CE 3.44Å; I85-M89 VanDerWaalsContact CG2-CE 3.44Å; I85-M89 HydrophobicContact CG2-SD 3.88Å; I85-M89 WeakPolarHBondContact O-CB 3.18Å; I85-M89 WeakPolarHBondContact O-CG 3.35Å; I85-M89 PolarHBondContact O-N 3.03Å; I85-I122 HydrophobicContact CD1-CG2 3.67Å; I85-I122 HydrophobicContact CG1-CG2 4.49Å; I85-F128 HydrophobicContact CB-CZ 4.13Å; I85-F128 HydrophobicContact CD1-CZ 4.06Å; I85-F128 HydrophobicContact CG2-CE1 4.36Å; I85-F128 HydrophobicContact CG2-CZ 3.91Å
86V92.9Very high92.3Very high16 Ų1663 Ų6310%0.09730%0.301CS..Hα-helixtrans-70.7-46-174.3-173.80000110.2D84 M89 M90 P99 R127 F128D84-V86 PolarHBondContact OD1-N 2.96Å; V86-M89 PolarHBondContact O-N 3.05Å; V86-M90 HydrophobicContact CG1-CE 4.12Å; V86-M90 WeakPolarHBondContact O-CG 3.38Å; V86-M90 PolarHBondContact O-N 2.93Å; V86-M90 VanDerWaalsContact O-N 3.09Å; V86-P99 HydrophobicContact CG2-CG 4.24Å; V86-R127 HydrophobicContact CG2-CB 4.04Å; V86-F128 HydrophobicContact CG2-CE2 4.41Å
87Q92.8Very high92.3Very high88 Ų8862.8 Ų62.841%0.41130%0.301SS..Hα-helixtrans-61.8-48.8178.1-172.161.239.800111.5D84 M89 M90 D91D84-Q87 HydrophobicContact CB-CB 4.09Å; Q87-M89 VanDerWaalsContact C-N 3.25Å; Q87-M89 PolarHBondContact O-N 2.9Å; Q87-M90 PolarHBondContact O-N 2.96Å; Q87-M90 VanDerWaalsContact O-N 3.08Å; Q87-D91 PolarHBondContact NE2-OD1 3.41Å; Q87-D91 VanDerWaalsContact O-CG 3.22Å; Q87-D91 PolarHBondContact O-N 2.92Å
88S93.2Very high92.4Very high18 Ų1859.8 Ų59.813%0.12629%0.288CS..Hα-helixtrans-65.4-29.3-178.7-55.20000112.5D84 C92 Y183D84-S88 WeakPolarHBondContact O-CB 3.37Å; D84-S88 PolarHBondContact O-N 2.93Å; D84-S88 PolarHBondContact O-OG 3.33Å; S88-C92 VanDerWaalsContact O-CB 3.29Å; S88-C92 WeakPolarHBondContact O-CB 3.36Å; S88-C92 PolarHBondContact O-N 2.78Å; S88-C92 VanDerWaalsContact O-N 3.13Å; S88-Y183 VanDerWaalsContact C-CD2 3.48Å; S88-Y183 VanDerWaalsContact CB-CD2 3.46Å
89M92.9Very high92.5Very high0 Ų059.8 Ų59.80%029%0.289CS..Hα-helixtrans-67.8-45.1171.8-76.9170.7177.800111.6I68 V70 F74 I85 V86 Q87 C92 L93 C97 P99 A157 M176 Y183I68-M89 HydrophobicContact CB-CE 4.49Å; I68-M89 HydrophobicContact CB-SD 4.44Å; I68-M89 HydrophobicContact CD1-CB 3.99Å; I68-M89 HydrophobicContact CD1-CE 4.4Å; I68-M89 HydrophobicContact CD1-CG 3.8Å; I68-M89 HydrophobicContact CD1-SD 3.64Å; I68-M89 HydrophobicContact CG2-CE 3.89Å; I68-M89 HydrophobicContact CG2-SD 4.4Å; V70-M89 HydrophobicContact CG2-CE 3.88Å; F74-M89 HydrophobicContact CE1-CE 3.87Å; F74-M89 HydrophobicContact CZ-CE 4.48Å; I85-M89 HydrophobicContact CG2-CE 3.44Å; I85-M89 VanDerWaalsContact CG2-CE 3.44Å; I85-M89 HydrophobicContact CG2-SD 3.88Å; I85-M89 WeakPolarHBondContact O-CB 3.18Å; I85-M89 WeakPolarHBondContact O-CG 3.35Å; I85-M89 PolarHBondContact O-N 3.03Å; V86-M89 PolarHBondContact O-N 3.05Å; Q87-M89 VanDerWaalsContact C-N 3.25Å; Q87-M89 PolarHBondContact O-N 2.9Å; M89-C92 PolarHBondContact O-N 2.91Å; M89-L93 PolarHBondContact O-N 2.73Å; M89-C97 HydrophobicContact CB-CB 3.96Å; M89-P99 HydrophobicContact SD-CB 4.11Å; M89-A157 HydrophobicContact CE-CB 4.35Å; M89-M176 HydrophobicContact CE-SD 4.46Å; M89-M176 HydrophobicContact CG-CE 4.41Å; M89-M176 HydrophobicContact CG-SD 3.8Å; M89-Y183 HydrophobicContact CG-CD2 3.97Å; M89-Y183 HydrophobicContact CG-CE2 3.93Å
90M92.4Very high92.6Very high61 Ų6157.9 Ų57.930%0.328%0.278SS..Hα-helixtrans-64.9-39.8177.4-67.9-175.1-6100111.7V86 Q87 C92 Y94 C97V86-M90 HydrophobicContact CG1-CE 4.12Å; V86-M90 WeakPolarHBondContact O-CG 3.38Å; V86-M90 PolarHBondContact O-N 2.93Å; V86-M90 VanDerWaalsContact O-N 3.09Å; Q87-M90 PolarHBondContact O-N 2.96Å; Q87-M90 VanDerWaalsContact O-N 3.08Å; M90-C92 VanDerWaalsContact C-N 3.28Å; M90-C92 PolarHBondContact O-N 2.69Å; M90-Y94 VanDerWaalsContact O-CA 3.22Å; M90-Y94 WeakPolarHBondContact O-CA 3.43Å; M90-Y94 PolarHBondContact O-N 3.39Å; M90-C97 HydrophobicContact CG-CB 4.3Å
91D91.4Very high92.8Very high88 Ų8850.8 Ų50.847%0.47125%0.247SC..Hα-helixtrans-66.9-30.4176.8-64.2-18.2000112.1Q87Q87-D91 PolarHBondContact NE2-OD1 3.41Å; Q87-D91 VanDerWaalsContact O-CG 3.22Å; Q87-D91 PolarHBondContact O-N 2.92Å
92C90.1Very high92.9Very high28 Ų2849.9 Ų49.919%0.18924%0.239CC..Hα-helixtrans-76.2-44.5178.1-176.50000112.4S88 M89 M90 M176 Y183S88-C92 VanDerWaalsContact O-CB 3.29Å; S88-C92 WeakPolarHBondContact O-CB 3.36Å; S88-C92 PolarHBondContact O-N 2.78Å; S88-C92 VanDerWaalsContact O-N 3.13Å; M89-C92 PolarHBondContact O-N 2.91Å; M90-C92 VanDerWaalsContact C-N 3.28Å; M90-C92 PolarHBondContact O-N 2.69Å; C92-M176 HydrophobicContact CB-CE 4.39Å; C92-Y183 PolarHBondContact SG-O 3Å
93L89.4Confident92.9Very high20 Ų2043 Ų4311%0.10521%0.212CC..Hα-helixtrans-96.1-6.8-174.2-72.7170.9000113.8Y66 I68 M89 A95 C97 I155 M176 I185 M188Y66-L93 HydrophobicContact CD2-CB 3.93Å; Y66-L93 HydrophobicContact CD2-CD1 3.78Å; Y66-L93 HydrophobicContact CD2-CD2 4.42Å; Y66-L93 HydrophobicContact CD2-CG 4.27Å; Y66-L93 HydrophobicContact CE2-CB 4.08Å; Y66-L93 HydrophobicContact CE2-CD2 4.37Å; Y66-L93 HydrophobicContact CG-CD1 4.01Å; I68-L93 HydrophobicContact CD1-CD1 3.86Å; M89-L93 PolarHBondContact O-N 2.73Å; L93-A95 PolarHBondContact O-N 3.06Å; L93-A95 VanDerWaalsContact O-N 3.09Å; L93-C97 VanDerWaalsContact CD1-SG 3.57Å; L93-I155 HydrophobicContact CD1-CD1 3.8Å; L93-I155 HydrophobicContact CD2-CD1 4.33Å; L93-M176 HydrophobicContact CD1-CE 3.62Å; L93-M176 HydrophobicContact CG-CE 3.9Å; L93-I185 HydrophobicContact CD2-CD1 3.62Å; L93-M188 HydrophobicContact CD2-CE 4.29Å; L93-M188 HydrophobicContact CD2-SD 4.33Å
94Y90.2Very high93Very high189 Ų18942.1 Ų42.174%0.74121%0.208SC*.THydrogen-bonded Turntrans50.529.9-174.5-59.9-79.2000113.8M90M90-Y94 VanDerWaalsContact O-CA 3.22Å; M90-Y94 WeakPolarHBondContact O-CA 3.43Å; M90-Y94 PolarHBondContact O-N 3.39Å
95A91.4Very high93Very high21 Ų2138 Ų3817%0.17419%0.186CC..SBendtrans-150.6166.5-174.100000111.6P64 Y66 L93 C97P64-A95 HydrophobicContact CB-CB 4.1Å; P64-A95 HydrophobicContact CG-CB 3.86Å; Y66-A95 HydrophobicContact CD2-CB 3.8Å; Y66-A95 HydrophobicContact CE2-CB 3.55Å; L93-A95 PolarHBondContact O-N 3.06Å; L93-A95 VanDerWaalsContact O-N 3.09Å; A95-C97 PolarHBondContact O-N 3.32Å; A95-C97 PolarHBondContact O-SG 3.17Å
96K92.3Very high93Very high144 Ų14438 Ų3863%0.62619%0.186SC*.  trans-63124.6175.5-175.3175.9178.6-179.60110.2P65 Y66P65-K96 CarbonylContact C-O 3.55Å; P65-K96 VanDerWaalsContact CA-O 3.32Å; P65-K96 WeakPolarHBondContact CA-O 3.41Å; P65-K96 HydrophobicContact CB-CB 4.42Å; P65-K96 HydrophobicContact CB-CD 4.4Å; P65-K96 HydrophobicContact CB-CG 4.32Å; Y66-K96 PolarHBondContact N-O 3.22Å
97C93.5Very high93Very high8 Ų839 Ų395%0.05420%0.196CC..EExtended strand (participates in β ladder)trans-117.5135.9179.9-62.70000110.3I68 M89 M90 L93 A95I68-C97 HydrophobicContact CD1-CB 3.82Å; M89-C97 HydrophobicContact CB-CB 3.96Å; M90-C97 HydrophobicContact CG-CB 4.3Å; L93-C97 VanDerWaalsContact CD1-SG 3.57Å; A95-C97 PolarHBondContact O-N 3.32Å; A95-C97 PolarHBondContact O-SG 3.17Å
98I94.8Very high92.9Very high24 Ų2437 Ų3712%0.12319%0.187CC..EExtended strand (participates in β ladder)trans-116.5108175.9-57.5173.7000107.3P65 Y66 I68 Y100 E129P65-I98 HydrophobicContact CB-CD1 3.93Å; P65-I98 HydrophobicContact CB-CG1 4.31Å; P65-I98 HydrophobicContact CG-CD1 4.21Å; Y66-I98 PolarHBondContact O-N 3.02Å; I68-I98 PolarHBondContact N-O 3.47Å; I98-Y100 HydrophobicContact CB-CE2 4.02Å; I98-Y100 HydrophobicContact CG2-CD2 4.42Å; I98-Y100 HydrophobicContact CG2-CE1 4.42Å; I98-Y100 HydrophobicContact CG2-CE2 3.67Å; I98-Y100 WeakPolarHBondContact O-CD2 3.49Å; I98-Y100 WeakPolarHBondContact O-CE2 3.32Å; I98-E129 HydrophobicContact CG2-CB 4.22Å; I98-E129 HydrophobicContact CG2-CG 3.82Å
99P95.9Very high92.8Very high1 Ų136.3 Ų36.31%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-78.9133.817732-32.9000110.5I68 V70 V86 M89 R127 F128 E129I68-P99 CarbonylContact O-C 3.44Å; I68-P99 WeakPolarHBondContact O-CA 3.16Å; V70-P99 HydrophobicContact CG2-CB 4.04Å; V86-P99 HydrophobicContact CG2-CG 4.24Å; M89-P99 HydrophobicContact SD-CB 4.11Å; P99-R127 WeakPolarHBondContact CD-O 3.21Å; P99-F128 HydrophobicContact CB-CD1 3.55Å; P99-F128 HydrophobicContact CB-CE1 3.55Å; P99-F128 HydrophobicContact CB-CG 4.33Å; P99-F128 HydrophobicContact CB-CZ 4.3Å; P99-F128 HydrophobicContact CG-CD1 3.64Å; P99-F128 HydrophobicContact CG-CD2 4.29Å; P99-F128 HydrophobicContact CG-CE1 3.8Å; P99-F128 HydrophobicContact CG-CE2 4.4Å; P99-F128 HydrophobicContact CG-CG 3.93Å; P99-F128 HydrophobicContact CG-CZ 4.17Å; P99-F128 WeakPolarHBondContact O-CA 3.41Å; P99-E129 PolarHBondContact O-N 2.85Å
100Y95.9Very high92.8Very high18 Ų1840.8 Ų40.87%0.07120%0.202CC..EExtended strand (participates in β ladder)trans-112.8136.1177.4-70.8-82.1000111.4H67 I68 V70 I98 E129 L131 Y154H67-Y100 HydrophobicContact CB-CD2 3.88Å; H67-Y100 HydrophobicContact CB-CE2 3.43Å; H67-Y100 VanDerWaalsContact CB-CE2 3.43Å; H67-Y100 PolarHBondContact CE1-OH 3.05Å; H67-Y100 AromaticContact CG-CE2 3.62Å; H67-Y100 AromaticContact ND1-CE2 3.15Å; H67-Y100 WeakPolarHBondContact ND1-CE2 3.33Å; H67-Y100 AromaticContact ND1-CZ 3.44Å; H67-Y100 PolarHBondContact ND1-OH 2.81Å; I68-Y100 PolarHBondContact O-N 3.14Å; V70-Y100 PolarHBondContact N-O 3.22Å; I98-Y100 HydrophobicContact CB-CE2 4.02Å; I98-Y100 HydrophobicContact CG2-CD2 4.42Å; I98-Y100 HydrophobicContact CG2-CE1 4.42Å; I98-Y100 HydrophobicContact CG2-CE2 3.67Å; I98-Y100 WeakPolarHBondContact O-CD2 3.49Å; I98-Y100 WeakPolarHBondContact O-CE2 3.32Å; Y100-E129 VanDerWaalsContact CA-O 3.22Å; Y100-E129 WeakPolarHBondContact CA-O 3.11Å; Y100-E129 HydrophobicContact CD1-CB 3.4Å; Y100-E129 HydrophobicContact CE1-CB 3.26Å; Y100-E129 HydrophobicContact CE1-CG 4.11Å; Y100-E129 WeakPolarHBondContact CE1-OE2 3.41Å; Y100-E129 HydrophobicContact CG-CB 4.36Å; Y100-E129 PolarHBondContact OH-OE2 3.41Å; Y100-L131 HydrophobicContact CD1-CD1 3.73Å; Y100-L131 HydrophobicContact CD1-CD2 3.76Å; Y100-L131 HydrophobicContact CD1-CG 3.5Å; Y100-L131 HydrophobicContact CE1-CD2 4.03Å; Y100-L131 HydrophobicContact CE1-CG 4.28Å; Y100-L131 HydrophobicContact CG-CD1 3.78Å; Y100-L131 HydrophobicContact CG-CG 4.06Å; Y100-Y154 HydrophobicContact CD2-CE1 4.37Å
101I95.4Very high92.7Very high3 Ų346.3 Ų46.32%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-118.8128.6172.3-68171.2000108.6V70 I75 V105 M106 A123 F128 E129 R130 L131V70-I101 HydrophobicContact CB-CG1 4.2Å; I75-I101 HydrophobicContact CD1-CD1 4.14Å; I101-V105 HydrophobicContact CG2-CB 4.32Å; I101-V105 HydrophobicContact CG2-CG1 4.08Å; I101-M106 HydrophobicContact CG2-CB 4.11Å; I101-M106 HydrophobicContact CG2-SD 4.48Å; I101-A123 HydrophobicContact CD1-CB 3.59Å; I101-F128 HydrophobicContact CD1-CB 4.22Å; I101-F128 HydrophobicContact CD1-CD1 3.33Å; I101-F128 HydrophobicContact CD1-CE1 3.83Å; I101-F128 HydrophobicContact CD1-CG 3.91Å; I101-F128 HydrophobicContact CG1-CD1 3.72Å; I101-F128 HydrophobicContact CG1-CE1 4.31Å; I101-E129 PolarHBondContact N-O 3.08Å; I101-R130 WeakPolarHBondContact O-CA 3.41Å; I101-L131 PolarHBondContact O-N 3.47Å
102T95.1Very high92.4Very high0 Ų045.6 Ų45.60%022%0.221CC..EExtended strand (participates in β ladder)trans-82.3152.2175.655.80000111L69 C104 V105 M106 L131 L144L69-T102 HydrophobicContact CD2-CG2 4.19Å; T102-C104 PolarHBondContact O-N 2.83Å; T102-C104 PolarHBondContact OG1-SG 2.9Å; T102-V105 PolarHBondContact O-N 2.86Å; T102-V105 VanDerWaalsContact O-N 3.12Å; T102-V105 WeakPolarHBondContact OG1-CB 3.17Å; T102-V105 WeakPolarHBondContact OG1-CG2 3.37Å; T102-M106 PolarHBondContact O-N 3.06Å; T102-L131 WeakPolarHBondContact CA-O 3.01Å; T102-L131 HydrophobicContact CG2-CB 4.33Å; T102-L144 HydrophobicContact CG2-CD2 4.12Å
103D93.8Very high92.3Very high50 Ų5046 Ų4627%0.26723%0.23SC..Hα-helixtrans-58.7-33179.3-76.9-28.5000113.8M106 A107 R130 L131 P132 C133D103-M106 PolarHBondContact O-N 3.42Å; D103-A107 WeakPolarHBondContact O-CB 3.47Å; D103-A107 PolarHBondContact O-N 3.48Å; D103-R130 IonicContact OD1-CZ 3.23Å; D103-R130 IonicContact OD1-NE 3.67Å; D103-R130 PolarHBondContact OD1-NE 3.3Å; D103-R130 IonicContact OD1-NH2 2.97Å; D103-R130 PolarHBondContact OD1-NH2 3.45Å; D103-L131 PolarHBondContact N-O 3.03Å; D103-P132 VanDerWaalsContact OD2-CA 3.27Å; D103-P132 WeakPolarHBondContact OD2-CA 3.5Å; D103-C133 HydrophobicContact CB-CB 4.15Å; D103-C133 PolarHBondContact OD2-N 3.2Å
104C93.5Very high92.3Very high17 Ų1753.2 Ų53.212%0.11527%0.265CS..Hα-helixtrans-67.6-41.6175.748.10000112.9T102 M106 A107 E108 A140 C143T102-C104 PolarHBondContact O-N 2.83Å; T102-C104 PolarHBondContact OG1-SG 2.9Å; C104-M106 VanDerWaalsContact C-N 3.31Å; C104-A107 PolarHBondContact O-N 2.89Å; C104-E108 WeakPolarHBondContact O-CB 3.15Å; C104-E108 PolarHBondContact O-N 3.39Å; C104-A140 HydrophobicContact CB-CB 4.38Å; C104-C143 WeakPolarHBondContact SG-CB 3.22Å
105V93.4Very high92.1Very high0 Ų053.5 Ų53.50%027%0.27CS..Hα-helixtrans-64.6-42.4176167.90000109.2T72 I101 T102 A107 E108 I109 A140 L144T72-V105 HydrophobicContact CG2-CB 4.2Å; T72-V105 HydrophobicContact CG2-CG1 3.51Å; T72-V105 WeakPolarHBondContact CG2-O 2.94Å; I101-V105 HydrophobicContact CG2-CB 4.32Å; I101-V105 HydrophobicContact CG2-CG1 4.08Å; T102-V105 PolarHBondContact O-N 2.86Å; T102-V105 VanDerWaalsContact O-N 3.12Å; T102-V105 WeakPolarHBondContact OG1-CB 3.17Å; T102-V105 WeakPolarHBondContact OG1-CG2 3.37Å; V105-A107 PolarHBondContact O-N 3.32Å; V105-E108 PolarHBondContact O-N 3.43Å; V105-I109 HydrophobicContact CG1-CD1 4.33Å; V105-I109 WeakPolarHBondContact O-CG1 3.33Å; V105-I109 PolarHBondContact O-N 3.14Å; V105-A140 HydrophobicContact CG2-CB 3.99Å; V105-L144 HydrophobicContact CG2-CD1 4.25Å
106M92.9Very high92Very high4 Ų456 Ų562%0.0228%0.275CS..Hα-helixtrans-60-46.5175.6-16861.6-177.400112.1I101 T102 D103 C104 E108 I109 E110 L120 A123 K124I101-M106 HydrophobicContact CG2-CB 4.11Å; I101-M106 HydrophobicContact CG2-SD 4.48Å; T102-M106 PolarHBondContact O-N 3.06Å; D103-M106 PolarHBondContact O-N 3.42Å; C104-M106 VanDerWaalsContact C-N 3.31Å; M106-E108 VanDerWaalsContact C-N 3.29Å; M106-E108 PolarHBondContact O-N 3.15Å; M106-I109 PolarHBondContact O-N 3.22Å; M106-E110 WeakPolarHBondContact O-CG 3.37Å; M106-E110 PolarHBondContact O-N 2.95Å; M106-E110 VanDerWaalsContact O-N 3.08Å; M106-L120 HydrophobicContact CE-CD1 3.49Å; M106-L120 VanDerWaalsContact CE-CD1 3.49Å; M106-L120 HydrophobicContact SD-CD1 4.21Å; M106-A123 HydrophobicContact SD-CB 3.89Å; M106-K124 HydrophobicContact CE-CD 3.91Å; M106-K124 HydrophobicContact CE-CG 3.4Å
107A91.9Very high91.9Very high36 Ų3658.2 Ų58.230%0.29828%0.28SS..Hα-helixtrans-64.7-32.3176.900000112.6D103 C104 V105 K111D103-A107 WeakPolarHBondContact O-CB 3.47Å; D103-A107 PolarHBondContact O-N 3.48Å; C104-A107 PolarHBondContact O-N 2.89Å; V105-A107 PolarHBondContact O-N 3.32Å; A107-K111 VanDerWaalsContact O-CG 3.26Å; A107-K111 WeakPolarHBondContact O-CG 3.39Å; A107-K111 PolarHBondContact O-N 2.98Å; A107-K111 VanDerWaalsContact O-N 3.08Å
108E91.7Very high91.9Very high47 Ų4762.2 Ų62.222%0.2230%0.304CS..Hα-helixtrans-67.9-43.3175-176.9173.8-153.400111.6T72 C104 V105 M106 E110 K111 L112 A140T72-E108 HydrophobicContact CG2-CB 3.88Å; T72-E108 HydrophobicContact CG2-CG 3.92Å; T72-E108 VanDerWaalsContact CG2-OE2 3.29Å; T72-E108 WeakPolarHBondContact CG2-OE2 3.35Å; T72-E108 PolarHBondContact OG1-OE2 3.16Å; C104-E108 WeakPolarHBondContact O-CB 3.15Å; C104-E108 PolarHBondContact O-N 3.39Å; V105-E108 PolarHBondContact O-N 3.43Å; M106-E108 VanDerWaalsContact C-N 3.29Å; M106-E108 PolarHBondContact O-N 3.15Å; E108-E110 VanDerWaalsContact C-N 3.3Å; E108-E110 PolarHBondContact O-N 3.4Å; E108-K111 PolarHBondContact O-N 3.39Å; E108-L112 WeakPolarHBondContact O-CG 3.46Å; E108-L112 PolarHBondContact O-N 2.94Å; E108-L112 VanDerWaalsContact O-N 3.12Å; E108-A140 WeakPolarHBondContact OE2-CB 3.41Å
109I91.4Very high91.8Very high3 Ų361.1 Ų61.12%0.01530%0.298CS..Hα-helixtrans-61.2-40.6175-62.2168.7000111T72 I75 V105 M106 L112 A119 L120 A123T72-I109 HydrophobicContact CG2-CD1 4.16Å; T72-I109 HydrophobicContact CG2-CG1 3.58Å; I75-I109 HydrophobicContact CD1-CD1 3.86Å; V105-I109 HydrophobicContact CG1-CD1 4.33Å; V105-I109 WeakPolarHBondContact O-CG1 3.33Å; V105-I109 PolarHBondContact O-N 3.14Å; M106-I109 PolarHBondContact O-N 3.22Å; I109-L112 PolarHBondContact O-N 2.83Å; I109-A119 HydrophobicContact CG2-CB 4.28Å; I109-L120 HydrophobicContact CB-CD1 4.47Å; I109-L120 HydrophobicContact CG2-CB 3.89Å; I109-L120 HydrophobicContact CG2-CD1 3.92Å; I109-A123 HydrophobicContact CD1-CB 4.12Å
110E91.4Very high91.6Very high94 Ų9462.8 Ų62.844%0.43931%0.307SS..Hα-helixtrans-64.4-38.1176.8-71.8-178.4165.500112.3M106 E108 L112 G113 L120 K124M106-E110 WeakPolarHBondContact O-CG 3.37Å; M106-E110 PolarHBondContact O-N 2.95Å; M106-E110 VanDerWaalsContact O-N 3.08Å; E108-E110 VanDerWaalsContact C-N 3.3Å; E108-E110 PolarHBondContact O-N 3.4Å; E110-L112 PolarHBondContact O-N 3.17Å; E110-G113 PolarHBondContact O-N 3.25Å; E110-L120 HydrophobicContact CG-CD1 3.46Å; E110-L120 VanDerWaalsContact CG-CD1 3.46Å; E110-L120 HydrophobicContact CG-CD2 4.32Å; E110-K124 IonicContact OE1-NZ 3.8Å
111K90.8Very high91.5Very high178 Ų17872.1 Ų72.177%0.77434%0.342SS*.Hα-helixtrans-68-31.7176.8-75.1170.6-175.1177.40113.6A107 E108 G113A107-K111 VanDerWaalsContact O-CG 3.26Å; A107-K111 WeakPolarHBondContact O-CG 3.39Å; A107-K111 PolarHBondContact O-N 2.98Å; A107-K111 VanDerWaalsContact O-N 3.08Å; E108-K111 PolarHBondContact O-N 3.39Å; K111-G113 PolarHBondContact O-N 3.28Å
112L86.7Confident91.3Very high73 Ų7374.4 Ų74.438%0.38235%0.354SS..THydrogen-bonded Turntrans-69.4-12-179.2-69.5168.1000113.1E108 I109 E110 Y116E108-L112 WeakPolarHBondContact O-CG 3.46Å; E108-L112 PolarHBondContact O-N 2.94Å; E108-L112 VanDerWaalsContact O-N 3.12Å; I109-L112 PolarHBondContact O-N 2.83Å; E110-L112 PolarHBondContact O-N 3.17Å; L112-Y116 HydrophobicContact CB-CD2 3.35Å; L112-Y116 HydrophobicContact CB-CE2 3.8Å; L112-Y116 HydrophobicContact CB-CG 3.94Å; L112-Y116 HydrophobicContact CD1-CD2 4.18Å; L112-Y116 HydrophobicContact CD1-CE2 4.2Å; L112-Y116 HydrophobicContact CD1-CG 4.3Å; L112-Y116 HydrophobicContact CD2-CE2 4.2Å; L112-Y116 HydrophobicContact CG-CD2 4.25Å; L112-Y116 HydrophobicContact CG-CE2 4.31Å
113G87.1Confident91.2Very high37 Ų3774.8 Ų74.838%0.38136%0.357SS..G310 helixtrans76.8-154.7165.900000115.1E110 K111 K115 Y116E110-G113 PolarHBondContact O-N 3.25Å; K111-G113 PolarHBondContact O-N 3.28Å; G113-K115 VanDerWaalsContact C-N 3.26Å; G113-K115 PolarHBondContact O-N 3.1Å; G113-K115 VanDerWaalsContact O-N 3.14Å; G113-Y116 PolarHBondContact O-N 2.88Å
114M88.8Confident91.1Very high171 Ų17178.3 Ų78.384%0.84237%0.37SS*.G310 helixtrans-60-30.7-167.1-65.4-178.171.200114.5Y116 R117M114-Y116 PolarHBondContact O-N 3.39Å; M114-R117 WeakPolarHBondContact O-CB 3.36Å; M114-R117 PolarHBondContact O-N 3.36Å
115K86.5Confident91.1Very high194 Ų19480.1 Ų80.184%0.84338%0.379SS*.G310 helixtrans-60.2-26.7178.9-69.5-177.3179.6178.60112.5G113G113-K115 VanDerWaalsContact C-N 3.26Å; G113-K115 PolarHBondContact O-N 3.1Å; G113-K115 VanDerWaalsContact O-N 3.14Å
116Y89.6Confident91Very high74 Ų7486.3 Ų86.329%0.2942%0.419SS..G310 helixtrans-110.619.4-175.1-63.8-84.2000112.8N76 L112 G113 M114 V118 A119 L120N76-Y116 HydrophobicContact CB-CE1 4.25Å; N76-Y116 WeakPolarHBondContact ND2-CE1 3.39Å; N76-Y116 WeakPolarHBondContact OD1-CD1 3.41Å; N76-Y116 WeakPolarHBondContact OD1-CE1 3.43Å; L112-Y116 HydrophobicContact CB-CD2 3.35Å; L112-Y116 HydrophobicContact CB-CE2 3.8Å; L112-Y116 HydrophobicContact CB-CG 3.94Å; L112-Y116 HydrophobicContact CD1-CD2 4.18Å; L112-Y116 HydrophobicContact CD1-CE2 4.2Å; L112-Y116 HydrophobicContact CD1-CG 4.3Å; L112-Y116 HydrophobicContact CD2-CE2 4.2Å; L112-Y116 HydrophobicContact CG-CD2 4.25Å; L112-Y116 HydrophobicContact CG-CE2 4.31Å; G113-Y116 PolarHBondContact O-N 2.88Å; M114-Y116 PolarHBondContact O-N 3.39Å; Y116-V118 PolarHBondContact O-N 3.17Å; Y116-A119 WeakPolarHBondContact O-CB 3.48Å; Y116-A119 PolarHBondContact O-N 2.8Å; Y116-A119 VanDerWaalsContact O-N 3.09Å; Y116-L120 PolarHBondContact O-N 3.32Å
117R90.3Very high91Very high190 Ų19092.8 Ų92.872%0.71744%0.443SS*.Hα-helixtrans-58.3-35.2178.3-171.7179.1-178.4-178.31.6113M114 L120 R121M114-R117 WeakPolarHBondContact O-CB 3.36Å; M114-R117 PolarHBondContact O-N 3.36Å; R117-L120 PolarHBondContact O-N 3.14Å; R117-R121 PolarHBondContact O-N 2.99Å
118V92.1Very high91.1Very high92 Ų9292 Ų9256%0.55843%0.433SS*.Hα-helixtrans-67.1-45.4176.1-179.10000110.5I79 Y116 L120 R121 I122I79-V118 HydrophobicContact CD1-CB 4.49Å; I79-V118 HydrophobicContact CD1-CG1 4.17Å; Y116-V118 PolarHBondContact O-N 3.17Å; V118-L120 VanDerWaalsContact C-N 3.3Å; V118-L120 PolarHBondContact O-N 3.06Å; V118-R121 PolarHBondContact O-N 3.14Å; V118-R121 VanDerWaalsContact O-N 3.16Å; V118-I122 HydrophobicContact CG1-CD1 4.07Å; V118-I122 WeakPolarHBondContact O-CG1 3.35Å; V118-I122 PolarHBondContact O-N 2.99Å
119A92.6Very high91.3Very high1 Ų194.1 Ų94.11%0.00844%0.443CS..Hα-helixtrans-59.6-41.4174.700000111.6I75 I79 I109 Y116 R121 I122 A123I75-A119 HydrophobicContact CG2-CB 3.69Å; I79-A119 HydrophobicContact CD1-CB 3.71Å; I109-A119 HydrophobicContact CG2-CB 4.28Å; Y116-A119 WeakPolarHBondContact O-CB 3.48Å; Y116-A119 PolarHBondContact O-N 2.8Å; Y116-A119 VanDerWaalsContact O-N 3.09Å; A119-R121 VanDerWaalsContact C-N 3.33Å; A119-R121 PolarHBondContact O-N 3.25Å; A119-I122 PolarHBondContact O-N 2.85Å; A119-A123 VanDerWaalsContact O-CB 3.32Å; A119-A123 WeakPolarHBondContact O-CB 3.46Å; A119-A123 PolarHBondContact O-N 3.26Å
120L93.1Very high91.4Very high37 Ų37101.3 Ų101.319%0.19447%0.47CS..Hα-helixtrans-62.6-38.5176.1-171.468000112.6M106 I109 E110 Y116 R117 V118 K124M106-L120 HydrophobicContact CE-CD1 3.49Å; M106-L120 VanDerWaalsContact CE-CD1 3.49Å; M106-L120 HydrophobicContact SD-CD1 4.21Å; I109-L120 HydrophobicContact CB-CD1 4.47Å; I109-L120 HydrophobicContact CG2-CB 3.89Å; I109-L120 HydrophobicContact CG2-CD1 3.92Å; E110-L120 HydrophobicContact CG-CD1 3.46Å; E110-L120 VanDerWaalsContact CG-CD1 3.46Å; E110-L120 HydrophobicContact CG-CD2 4.32Å; Y116-L120 PolarHBondContact O-N 3.32Å; R117-L120 PolarHBondContact O-N 3.14Å; V118-L120 VanDerWaalsContact C-N 3.3Å; V118-L120 PolarHBondContact O-N 3.06Å; L120-K124 HydrophobicContact CG-CD 4.5Å; L120-K124 WeakPolarHBondContact O-CG 3.32Å; L120-K124 PolarHBondContact O-N 2.92Å
121R92.6Very high91.6Very high214 Ų21497.9 Ų97.981%0.80845%0.454SS*.Hα-helixtrans-67.7-41177.3-173.9176.5174.2-178.2-2.1111.5R117 V118 A119 K124 D125R117-R121 PolarHBondContact O-N 2.99Å; V118-R121 PolarHBondContact O-N 3.14Å; V118-R121 VanDerWaalsContact O-N 3.16Å; A119-R121 VanDerWaalsContact C-N 3.33Å; A119-R121 PolarHBondContact O-N 3.25Å; R121-K124 PolarHBondContact O-N 2.89Å; R121-D125 PolarHBondContact O-N 3.49Å
122I92.5Very high91.7Very high50 Ų5094 Ų9426%0.25645%0.447SS..Hα-helixtrans-65.9-42.8176.1-66.1166.5000110.4I79 I85 V118 A119 K124 D125 F128I79-I122 HydrophobicContact CD1-CD1 3.84Å; I79-I122 HydrophobicContact CG1-CD1 3.7Å; I85-I122 HydrophobicContact CD1-CG2 3.67Å; I85-I122 HydrophobicContact CG1-CG2 4.49Å; V118-I122 HydrophobicContact CG1-CD1 4.07Å; V118-I122 WeakPolarHBondContact O-CG1 3.35Å; V118-I122 PolarHBondContact O-N 2.99Å; A119-I122 PolarHBondContact O-N 2.85Å; I122-K124 PolarHBondContact O-N 3.37Å; I122-D125 WeakPolarHBondContact O-CB 3.29Å; I122-D125 PolarHBondContact O-N 3.24Å; I122-F128 HydrophobicContact CG2-CE2 4Å; I122-F128 HydrophobicContact CG2-CZ 4.09Å; I122-F128 WeakPolarHBondContact O-CD2 3.23Å; I122-F128 WeakPolarHBondContact O-CE2 3.39Å
123A91.8Very high91.9Very high9 Ų991.9 Ų91.97%0.07444%0.438CS..Hα-helixtrans-63.5-22.617700000114I75 I101 M106 I109 A119I75-A123 HydrophobicContact CD1-CB 4.37Å; I101-A123 HydrophobicContact CD1-CB 3.59Å; M106-A123 HydrophobicContact SD-CB 3.89Å; I109-A123 HydrophobicContact CD1-CB 4.12Å; A119-A123 VanDerWaalsContact O-CB 3.32Å; A119-A123 WeakPolarHBondContact O-CB 3.46Å; A119-A123 PolarHBondContact O-N 3.26Å
124K92.3Very high91.9Very high124 Ų12495.5 Ų95.554%0.53946%0.464SS..THydrogen-bonded Turntrans-93.92.6175.8-69.1-178.2-179.2-176.80113.4M106 E110 L120 R121 I122M106-K124 HydrophobicContact CE-CD 3.91Å; M106-K124 HydrophobicContact CE-CG 3.4Å; E110-K124 IonicContact OE1-NZ 3.8Å; L120-K124 HydrophobicContact CG-CD 4.5Å; L120-K124 WeakPolarHBondContact O-CG 3.32Å; L120-K124 PolarHBondContact O-N 2.92Å; R121-K124 PolarHBondContact O-N 2.89Å; I122-K124 PolarHBondContact O-N 3.37Å
125D92.9Very high91.8Very high55 Ų5589.8 Ų89.829%0.29444%0.435SS..SBendtrans-63.5135177.1-175.6-34.7000109.5R121 I122 R127 F128R121-D125 PolarHBondContact O-N 3.49Å; I122-D125 WeakPolarHBondContact O-CB 3.29Å; I122-D125 PolarHBondContact O-N 3.24Å; D125-R127 PolarHBondContact O-N 2.96Å; D125-R127 WeakPolarHBondContact OD1-CG 3.49Å; D125-R127 PolarHBondContact OD1-N 3.47Å; D125-F128 HydrophobicContact CB-CD2 3.99Å; D125-F128 HydrophobicContact CB-CE2 4.37Å; D125-F128 PolarHBondContact O-N 3.12Å
126P92.9Very high91.7Very high129 Ų12990.5 Ų90.584%0.83844%0.438SS*.THydrogen-bonded Turntrans-57-16.5178.824-37.4000114.8F128P126-F128 PolarHBondContact O-N 3.21Å
127R93.1Very high91Very high141 Ų14190.9 Ų90.953%0.53247%0.465SS..THydrogen-bonded Turntrans-68.6-18.9172.8-63.3172.7-175.5-173.8-0113.1D84 V86 P99 D125D84-R127 IonicContact OD2-NH1 3.93Å; V86-R127 HydrophobicContact CG2-CB 4.04Å; P99-R127 WeakPolarHBondContact CD-O 3.21Å; D125-R127 PolarHBondContact O-N 2.96Å; D125-R127 WeakPolarHBondContact OD1-CG 3.49Å; D125-R127 PolarHBondContact OD1-N 3.47Å
128F94.1Very high90.4Very high19 Ų1984.7 Ų84.78%0.08345%0.449CS..SBendtrans-92127.5176.5-71.5-100.9000110.8V70 I85 V86 P99 I101 I122 D125 P126V70-F128 HydrophobicContact CG2-CE1 4.28Å; I85-F128 HydrophobicContact CB-CZ 4.13Å; I85-F128 HydrophobicContact CD1-CZ 4.06Å; I85-F128 HydrophobicContact CG2-CE1 4.36Å; I85-F128 HydrophobicContact CG2-CZ 3.91Å; V86-F128 HydrophobicContact CG2-CE2 4.41Å; P99-F128 HydrophobicContact CB-CD1 3.55Å; P99-F128 HydrophobicContact CB-CE1 3.55Å; P99-F128 HydrophobicContact CB-CG 4.33Å; P99-F128 HydrophobicContact CB-CZ 4.3Å; P99-F128 HydrophobicContact CG-CD1 3.64Å; P99-F128 HydrophobicContact CG-CD2 4.29Å; P99-F128 HydrophobicContact CG-CE1 3.8Å; P99-F128 HydrophobicContact CG-CE2 4.4Å; P99-F128 HydrophobicContact CG-CG 3.93Å; P99-F128 HydrophobicContact CG-CZ 4.17Å; P99-F128 WeakPolarHBondContact O-CA 3.41Å; I101-F128 HydrophobicContact CD1-CB 4.22Å; I101-F128 HydrophobicContact CD1-CD1 3.33Å; I101-F128 HydrophobicContact CD1-CE1 3.83Å; I101-F128 HydrophobicContact CD1-CG 3.91Å; I101-F128 HydrophobicContact CG1-CD1 3.72Å; I101-F128 HydrophobicContact CG1-CE1 4.31Å; I122-F128 HydrophobicContact CG2-CE2 4Å; I122-F128 HydrophobicContact CG2-CZ 4.09Å; I122-F128 WeakPolarHBondContact O-CD2 3.23Å; I122-F128 WeakPolarHBondContact O-CE2 3.39Å; D125-F128 HydrophobicContact CB-CD2 3.99Å; D125-F128 HydrophobicContact CB-CE2 4.37Å; D125-F128 PolarHBondContact O-N 3.12Å; P126-F128 PolarHBondContact O-N 3.21Å
129E95.1Very high90.1Very high91 Ų9186.5 Ų86.543%0.42545%0.446SS..EExtended strand (participates in β ladder)trans-88132.3172.4-74.5-173.4-162.800110.2I98 P99 Y100 I101I98-E129 HydrophobicContact CG2-CB 4.22Å; I98-E129 HydrophobicContact CG2-CG 3.82Å; P99-E129 PolarHBondContact O-N 2.85Å; Y100-E129 VanDerWaalsContact CA-O 3.22Å; Y100-E129 WeakPolarHBondContact CA-O 3.11Å; Y100-E129 HydrophobicContact CD1-CB 3.4Å; Y100-E129 HydrophobicContact CE1-CB 3.26Å; Y100-E129 HydrophobicContact CE1-CG 4.11Å; Y100-E129 WeakPolarHBondContact CE1-OE2 3.41Å; Y100-E129 HydrophobicContact CG-CB 4.36Å; Y100-E129 PolarHBondContact OH-OE2 3.41Å; I101-E129 PolarHBondContact N-O 3.08Å
130R94.3Very high90Very high155 Ų15586.6 Ų86.659%0.58545%0.447SS*.EExtended strand (participates in β ladder)trans-93.6126-176.9-159.9176.8175165.64.2110.3I101 D103I101-R130 WeakPolarHBondContact O-CA 3.41Å; D103-R130 IonicContact OD1-CZ 3.23Å; D103-R130 IonicContact OD1-NE 3.67Å; D103-R130 PolarHBondContact OD1-NE 3.3Å; D103-R130 IonicContact OD1-NH2 2.97Å; D103-R130 PolarHBondContact OD1-NH2 3.45Å
131L94.4Very high89.9Confident22 Ų2285.2 Ų85.212%0.11544%0.44CS..EExtended strand (participates in β ladder)trans-102.1120178.2-71.5175.9000111.5L69 Y100 I101 T102 D103 Y154L69-L131 HydrophobicContact CD2-CD1 3.56Å; Y100-L131 HydrophobicContact CD1-CD1 3.73Å; Y100-L131 HydrophobicContact CD1-CD2 3.76Å; Y100-L131 HydrophobicContact CD1-CG 3.5Å; Y100-L131 HydrophobicContact CE1-CD2 4.03Å; Y100-L131 HydrophobicContact CE1-CG 4.28Å; Y100-L131 HydrophobicContact CG-CD1 3.78Å; Y100-L131 HydrophobicContact CG-CG 4.06Å; I101-L131 PolarHBondContact O-N 3.47Å; T102-L131 WeakPolarHBondContact CA-O 3.01Å; T102-L131 HydrophobicContact CG2-CB 4.33Å; D103-L131 PolarHBondContact N-O 3.03Å; L131-Y154 HydrophobicContact CD1-CE1 4.23Å
132P93.2Very high89.9Confident97 Ų9779 Ų7963%0.6342%0.423SS*.PPolyproline II helixtrans-69.2139.5177.927.9-33.2000111.3D103 R147D103-P132 VanDerWaalsContact OD2-CA 3.27Å; D103-P132 WeakPolarHBondContact OD2-CA 3.5Å; P132-R147 PolarHBondContact O-NH2 3.01Å
133C91.3Very high90Very high27 Ų2776.9 Ų76.918%0.18241%0.412CS..  trans-105.6127.1177.6-72.30000112D103 H135D103-C133 HydrophobicContact CB-CB 4.15Å; D103-C133 PolarHBondContact OD2-N 3.2Å; C133-H135 VanDerWaalsContact C-N 3.34Å; C133-H135 VanDerWaalsContact CB-CE1 3.41Å; C133-H135 WeakPolarHBondContact CB-CE1 3.32Å; C133-H135 VanDerWaalsContact CB-NE2 3.33Å; C133-H135 WeakPolarHBondContact CB-NE2 3.43Å; C133-H135 PolarHBondContact O-N 3.4Å
134A87.3Confident90.1Very high113 Ų11376.4 Ų76.493%0.93441%0.409SS*.  trans-95.244.218000000112.7
135H86.3Confident90.2Very high51 Ų5172 Ų7224%0.23639%0.392CS..SBendtrans-139.5147.2-178.656.251000112C133 G137 T138 C143C133-H135 VanDerWaalsContact C-N 3.34Å; C133-H135 VanDerWaalsContact CB-CE1 3.41Å; C133-H135 WeakPolarHBondContact CB-CE1 3.32Å; C133-H135 VanDerWaalsContact CB-NE2 3.33Å; C133-H135 WeakPolarHBondContact CB-NE2 3.43Å; C133-H135 PolarHBondContact O-N 3.4Å; H135-G137 PolarHBondContact O-N 3.37Å; H135-T138 HydrophobicContact CB-CG2 3.96Å; H135-T138 PolarHBondContact CE1-OG1 3.12Å; H135-T138 VanDerWaalsContact CG-OG1 3.27Å; H135-T138 PolarHBondContact ND1-OG1 3.19Å; H135-T138 PolarHBondContact NE2-OG1 3.41Å; H135-C143 WeakPolarHBondContact NE2-CB 3.48Å; H135-C143 PolarHBondContact NE2-SG 2.8Å
136K84.6Confident90.1Very high209 Ų20974.1 Ų74.191%0.90940%0.4SS*.SBendtrans-88.5105.9-179-169.4176.8-178.6179.50110.4T138K136-T138 PolarHBondContact O-N 3.5Å
137G74.6Confident90.1Very high83 Ų8370 Ų7086%0.85637%0.368SS*.SBendtrans55.242.116500000115.6H135H135-G137 PolarHBondContact O-N 3.37Å
138T77.1Confident90.1Very high60 Ų6063.3 Ų63.337%0.36834%0.343SS..  trans-84.8163.7176.858.30000111.7H135 K136H135-T138 HydrophobicContact CB-CG2 3.96Å; H135-T138 PolarHBondContact CE1-OG1 3.12Å; H135-T138 VanDerWaalsContact CG-OG1 3.27Å; H135-T138 PolarHBondContact ND1-OG1 3.19Å; H135-T138 PolarHBondContact NE2-OG1 3.41Å; K136-T138 PolarHBondContact O-N 3.5Å
139Y85.6Confident89.9Confident129 Ų12966 Ų6651%0.50636%0.36SS..  trans-64.8141.6169.9-163.7-123.3000110.3D141 D142 C143Y139-D141 VanDerWaalsContact C-N 3.32Å; Y139-D141 HydrophobicContact CD1-CB 3.66Å; Y139-D141 HydrophobicContact CE1-CB 3.72Å; Y139-D141 WeakPolarHBondContact CE1-OD2 3.18Å; Y139-D141 PolarHBondContact O-N 3.03Å; Y139-D142 PolarHBondContact O-N 2.68Å; Y139-C143 PolarHBondContact O-N 3.35Å
140A90.4Very high89.7Confident4 Ų467.3 Ų67.33%0.03337%0.367CS..Hα-helixtrans-62.2-41.1-173.900000111.7C104 V105 E108 D142 C143 L144C104-A140 HydrophobicContact CB-CB 4.38Å; V105-A140 HydrophobicContact CG2-CB 3.99Å; E108-A140 WeakPolarHBondContact OE2-CB 3.41Å; A140-D142 VanDerWaalsContact C-N 3.31Å; A140-D142 PolarHBondContact O-N 3.22Å; A140-C143 VanDerWaalsContact O-CB 3.3Å; A140-C143 WeakPolarHBondContact O-CB 3.22Å; A140-C143 PolarHBondContact O-N 2.85Å; A140-L144 WeakPolarHBondContact O-CG 3.39Å; A140-L144 PolarHBondContact O-N 3.36Å
141D92.2Very high89.4Confident8 Ų864.8 Ų64.84%0.04336%0.362CS..Hα-helixtrans-60.3-39.9178.5-65.22.5000113.4Y139 C143 L144 V145 L163 R166Y139-D141 VanDerWaalsContact C-N 3.32Å; Y139-D141 HydrophobicContact CD1-CB 3.66Å; Y139-D141 HydrophobicContact CE1-CB 3.72Å; Y139-D141 WeakPolarHBondContact CE1-OD2 3.18Å; Y139-D141 PolarHBondContact O-N 3.03Å; D141-C143 VanDerWaalsContact C-N 3.31Å; D141-C143 PolarHBondContact O-N 3.47Å; D141-L144 PolarHBondContact O-N 3.19Å; D141-V145 WeakPolarHBondContact O-CB 3.5Å; D141-V145 VanDerWaalsContact O-CG2 3.25Å; D141-V145 WeakPolarHBondContact O-CG2 3.35Å; D141-V145 PolarHBondContact O-N 2.65Å; D141-L163 HydrophobicContact CB-CD1 4.07Å; D141-R166 VanDerWaalsContact CG-NH2 3.34Å; D141-R166 IonicContact OD2-CZ 3.84Å; D141-R166 IonicContact OD2-NH2 2.88Å; D141-R166 PolarHBondContact OD2-NH2 2.77Å
142D92.7Very high89.1Confident84 Ų8464.8 Ų64.845%0.44936%0.361SS..Hα-helixtrans-68.8-36.4-178.7-66-23000110.3Y139 A140 Q146 R166Y139-D142 PolarHBondContact O-N 2.68Å; A140-D142 VanDerWaalsContact C-N 3.31Å; A140-D142 PolarHBondContact O-N 3.22Å; D142-Q146 VanDerWaalsContact O-CB 3.22Å; D142-Q146 WeakPolarHBondContact O-CB 3.49Å; D142-Q146 PolarHBondContact O-N 2.88Å; D142-R166 IonicContact OD1-NH1 3.52Å; D142-R166 PolarHBondContact OD1-NH1 2.98Å
143C93.4Very high88.9Confident4 Ų461.7 Ų61.73%0.02734%0.341CS..Hα-helixtrans-59.7-48.9170.3175.70000111.5C104 H135 Y139 A140 D141 Q146 R147C104-C143 WeakPolarHBondContact SG-CB 3.22Å; H135-C143 WeakPolarHBondContact NE2-CB 3.48Å; H135-C143 PolarHBondContact NE2-SG 2.8Å; Y139-C143 PolarHBondContact O-N 3.35Å; A140-C143 VanDerWaalsContact O-CB 3.3Å; A140-C143 WeakPolarHBondContact O-CB 3.22Å; A140-C143 PolarHBondContact O-N 2.85Å; D141-C143 VanDerWaalsContact C-N 3.31Å; D141-C143 PolarHBondContact O-N 3.47Å; C143-Q146 PolarHBondContact O-N 2.91Å; C143-R147 WeakPolarHBondContact O-CB 3.22Å; C143-R147 PolarHBondContact O-N 3.34Å
144L94.1Very high89.1Confident0 Ų061.8 Ų61.80%034%0.338CS..Hα-helixtrans-61.4-47.4-178.9-69.1171.8000110.9L69 D71 T102 V105 A140 D141 Q146 R147 V148 L156 L163L69-L144 HydrophobicContact CB-CD2 4.14Å; L69-L144 HydrophobicContact CD1-CD2 4.4Å; D71-L144 HydrophobicContact CB-CD1 4.3Å; T102-L144 HydrophobicContact CG2-CD2 4.12Å; V105-L144 HydrophobicContact CG2-CD1 4.25Å; A140-L144 WeakPolarHBondContact O-CG 3.39Å; A140-L144 PolarHBondContact O-N 3.36Å; D141-L144 PolarHBondContact O-N 3.19Å; L144-Q146 PolarHBondContact O-N 2.79Å; L144-R147 PolarHBondContact O-N 3.23Å; L144-V148 VanDerWaalsContact O-CB 3.31Å; L144-V148 WeakPolarHBondContact O-CB 3.41Å; L144-V148 VanDerWaalsContact O-CG2 3.22Å; L144-V148 WeakPolarHBondContact O-CG2 3.49Å; L144-V148 PolarHBondContact O-N 3.05Å; L144-L156 HydrophobicContact CB-CD1 4.12Å; L144-L156 HydrophobicContact CD1-CD1 4.26Å; L144-L156 HydrophobicContact CD2-CD1 4.18Å; L144-L156 HydrophobicContact CG-CD1 4.42Å; L144-L163 HydrophobicContact CD1-CD2 4.15Å
145V93.8Very high89.4Confident30 Ų3056.5 Ų56.518%0.18229%0.293CS..Hα-helixtrans-61.2-45.5177.5172.50000111D141 T149 L163 R166 V167 I170D141-V145 WeakPolarHBondContact O-CB 3.5Å; D141-V145 VanDerWaalsContact O-CG2 3.25Å; D141-V145 WeakPolarHBondContact O-CG2 3.35Å; D141-V145 PolarHBondContact O-N 2.65Å; V145-T149 VanDerWaalsContact O-CB 3.3Å; V145-T149 WeakPolarHBondContact O-CB 3.22Å; V145-T149 PolarHBondContact O-N 2.91Å; V145-T149 PolarHBondContact O-OG1 3.47Å; V145-L163 HydrophobicContact CG2-CD1 3.55Å; V145-R166 HydrophobicContact CG2-CB 4.31Å; V145-V167 HydrophobicContact CG2-CG2 4.31Å; V145-I170 HydrophobicContact CG1-CD1 4.23Å
146Q92.4Very high89.8Confident100 Ų10054 Ų5447%0.46728%0.282SS..Hα-helixtrans-62.5-45.8178.7-176.1178.4000111.6D142 C143 L144 T149 Q150D142-Q146 VanDerWaalsContact O-CB 3.22Å; D142-Q146 WeakPolarHBondContact O-CB 3.49Å; D142-Q146 PolarHBondContact O-N 2.88Å; C143-Q146 PolarHBondContact O-N 2.91Å; L144-Q146 PolarHBondContact O-N 2.79Å; Q146-T149 PolarHBondContact O-N 3.35Å; Q146-Q150 WeakPolarHBondContact O-CG 3.31Å; Q146-Q150 PolarHBondContact O-N 3.5Å
147R92.8Very high90.3Very high43 Ų4344.1 Ų44.116%0.16224%0.239CC..Hα-helixtrans-62.4-46.5-179.5-176.8171.9-66.7-104.22.2111.8L69 P132 C143 L144 T149 Q150 H151 Y154L69-R147 HydrophobicContact CD1-CG 4.33Å; P132-R147 PolarHBondContact O-NH2 3.01Å; C143-R147 WeakPolarHBondContact O-CB 3.22Å; C143-R147 PolarHBondContact O-N 3.34Å; L144-R147 PolarHBondContact O-N 3.23Å; R147-T149 VanDerWaalsContact C-N 3.3Å; R147-T149 PolarHBondContact O-N 3.24Å; R147-Q150 PolarHBondContact O-N 3.2Å; R147-H151 PolarHBondContact O-N 3.3Å; R147-Y154 HydrophobicContact CG-CD2 4.37Å; R147-Y154 HydrophobicContact CG-CE2 4.06Å
148V92.2Very high91.3Very high0 Ų040.1 Ų40.10%020%0.198CC..Hα-helixtrans-65.7-33.8177.5166.20000112.1L69 L144 H151 L156 I170 V173L69-V148 HydrophobicContact CD1-CG2 3.58Å; L144-V148 VanDerWaalsContact O-CB 3.31Å; L144-V148 WeakPolarHBondContact O-CB 3.41Å; L144-V148 VanDerWaalsContact O-CG2 3.22Å; L144-V148 WeakPolarHBondContact O-CG2 3.49Å; L144-V148 PolarHBondContact O-N 3.05Å; V148-H151 CarbonylContact O-C 3.54Å; V148-L156 HydrophobicContact CG2-CD1 4.48Å; V148-I170 HydrophobicContact CG1-CD1 4.25Å; V148-V173 HydrophobicContact CG1-CB 3.9Å; V148-V173 HydrophobicContact CG1-CG1 3.38Å; V148-V173 HydrophobicContact CG1-CG2 3.33Å
149T91.1Very high92Very high75 Ų7538.8 Ų38.846%0.4619%0.189SC..Hα-helixtrans-68.9-41.5176.4-58.20000111.3V145 Q146 R147 I170V145-T149 VanDerWaalsContact O-CB 3.3Å; V145-T149 WeakPolarHBondContact O-CB 3.22Å; V145-T149 PolarHBondContact O-N 2.91Å; V145-T149 PolarHBondContact O-OG1 3.47Å; Q146-T149 PolarHBondContact O-N 3.35Å; R147-T149 VanDerWaalsContact C-N 3.3Å; R147-T149 PolarHBondContact O-N 3.24Å; T149-I170 WeakPolarHBondContact OG1-CD1 3.3Å
150Q89.2Confident92.5Very high120 Ų12034.7 Ų34.756%0.56118%0.177SC*.Hα-helixtrans-72.1-45.3178.7-71.5174.5-10.900111.8Q146 R147Q146-Q150 WeakPolarHBondContact O-CG 3.31Å; Q146-Q150 PolarHBondContact O-N 3.5Å; R147-Q150 PolarHBondContact O-N 3.2Å
151H89.4Confident92.6Very high102 Ų10244.1 Ų44.147%0.47221%0.211SC..  trans-124.1105.1-176-60.3-68.1000109.5R147 V148 C153 Y154R147-H151 PolarHBondContact O-N 3.3Å; V148-H151 CarbonylContact O-C 3.54Å; H151-C153 PolarHBondContact O-N 3.34Å; H151-C153 VanDerWaalsContact O-N 3.14Å; H151-Y154 HydrophobicContact CB-CD2 4.18Å; H151-Y154 HydrophobicContact CB-CE2 3.78Å; H151-Y154 WeakPolarHBondContact O-CD2 3.14Å
152K87.9Confident92.7Very high22 Ų2247.9 Ų47.910%0.09623%0.231CC..THydrogen-bonded Turntrans-80.619-179.9-59.9-172.5177.9-169.70113.4P51 M54 N59 Y154 P171P51-K152 HydrophobicContact CG-CD 3.87Å; M54-K152 HydrophobicContact CG-CD 4.07Å; M54-K152 HydrophobicContact SD-CD 3.8Å; N59-K152 PolarHBondContact ND2-O 2.97Å; K152-Y154 VanDerWaalsContact C-N 3.31Å; K152-P171 PolarHBondContact NZ-O 3.31Å
153C89.5Confident92.7Very high31 Ų3143.9 Ų43.921%0.20921%0.21CC..THydrogen-bonded Turntrans-9111-179.9560000113.7H151H151-C153 PolarHBondContact O-N 3.34Å; H151-C153 VanDerWaalsContact O-N 3.14Å
154Y93.4Very high92.7Very high30 Ų3044.9 Ų44.912%0.11821%0.214CC..EExtended strand (participates in β ladder)trans-115143.6-176.3-61.3-73000112.3H67 L69 Y100 L131 R147 H151 K152H67-Y154 HydrophobicContact CB-CD1 3.74Å; H67-Y154 HydrophobicContact CB-CE1 4Å; H67-Y154 WeakPolarHBondContact O-CA 3.43Å; L69-Y154 HydrophobicContact CD1-CD1 4.14Å; L69-Y154 HydrophobicContact CD1-CD2 3.99Å; L69-Y154 HydrophobicContact CD1-CG 3.66Å; L69-Y154 HydrophobicContact CD2-CD1 4.23Å; L69-Y154 HydrophobicContact CD2-CE1 4.46Å; L69-Y154 HydrophobicContact CG-CD1 3.82Å; L69-Y154 HydrophobicContact CG-CG 3.86Å; Y100-Y154 HydrophobicContact CD2-CE1 4.37Å; L131-Y154 HydrophobicContact CD1-CE1 4.23Å; R147-Y154 HydrophobicContact CG-CD2 4.37Å; R147-Y154 HydrophobicContact CG-CE2 4.06Å; H151-Y154 HydrophobicContact CB-CD2 4.18Å; H151-Y154 HydrophobicContact CB-CE2 3.78Å; H151-Y154 WeakPolarHBondContact O-CD2 3.14Å; K152-Y154 VanDerWaalsContact C-N 3.31Å
155I93.9Very high92.7Very high1 Ų152.1 Ų52.11%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-92.8136.6162-60.8174.4000107.5Y66 H67 I68 L69 L93 P174 M176 I185Y66-I155 HydrophobicContact CD1-CD1 3.9Å; Y66-I155 HydrophobicContact CG-CD1 4.07Å; H67-I155 PolarHBondContact O-N 3.28Å; I68-I155 CarbonylContact C-O 3.55Å; I68-I155 WeakPolarHBondContact CA-O 3.47Å; I68-I155 HydrophobicContact CG1-CB 4.19Å; I68-I155 HydrophobicContact CG1-CD1 4.5Å; I68-I155 HydrophobicContact CG2-CG2 4.46Å; L69-I155 PolarHBondContact N-O 3.41Å; L93-I155 HydrophobicContact CD1-CD1 3.8Å; L93-I155 HydrophobicContact CD2-CD1 4.33Å; I155-P174 HydrophobicContact CG1-CB 4.2Å; I155-P174 HydrophobicContact CG1-CG 4.1Å; I155-P174 HydrophobicContact CG2-CB 4.26Å; I155-M176 HydrophobicContact CG2-CB 4.09Å; I155-I185 HydrophobicContact CD1-CD1 4.11Å; I155-I185 HydrophobicContact CG2-CD1 4.15Å
156L95.3Very high92.7Very high0 Ų054.1 Ų54.10%025%0.245CC..EExtended strand (participates in β ladder)trans-99.8119.4177.5-170.575.1000110.9L69 L144 V148 T158 L163 V167 P174 I175 M176L69-L156 HydrophobicContact CB-CD1 3.91Å; L144-L156 HydrophobicContact CB-CD1 4.12Å; L144-L156 HydrophobicContact CD1-CD1 4.26Å; L144-L156 HydrophobicContact CD2-CD1 4.18Å; L144-L156 HydrophobicContact CG-CD1 4.42Å; V148-L156 HydrophobicContact CG2-CD1 4.48Å; L156-T158 HydrophobicContact CD2-CG2 3.87Å; L156-T158 HydrophobicContact CG-CG2 4.19Å; L156-L163 HydrophobicContact CD2-CD1 4.4Å; L156-L163 HydrophobicContact CD2-CD2 4.14Å; L156-L163 HydrophobicContact CD2-CG 4.02Å; L156-V167 HydrophobicContact CD2-CB 4.23Å; L156-V167 HydrophobicContact CD2-CG1 4.18Å; L156-V167 HydrophobicContact CD2-CG2 3.37Å; L156-P174 PolarHBondContact N-O 3.43Å; L156-I175 CarbonylContact O-C 3.5Å; L156-I175 WeakPolarHBondContact O-CA 3.45Å; L156-M176 PolarHBondContact O-N 2.94Å
157A96.1Very high92.7Very high0 Ų049.3 Ų49.30%022%0.223CC..EExtended strand (participates in β ladder)trans-94.6103.4173.800000110.7I68 L69 D71 F74 M89 M176I68-A157 HydrophobicContact CG2-CB 3.69Å; L69-A157 PolarHBondContact O-N 2.93Å; D71-A157 WeakPolarHBondContact CB-O 3.37Å; D71-A157 PolarHBondContact N-O 3.08Å; F74-A157 WeakPolarHBondContact CB-O 3.25Å; F74-A157 HydrophobicContact CD1-CB 3.99Å; F74-A157 HydrophobicContact CD2-CB 3.92Å; F74-A157 HydrophobicContact CE1-CB 4.02Å; F74-A157 HydrophobicContact CE2-CB 3.94Å; F74-A157 HydrophobicContact CG-CB 3.94Å; F74-A157 HydrophobicContact CZ-CB 4Å; M89-A157 HydrophobicContact CE-CB 4.35Å; A157-M176 WeakPolarHBondContact CA-O 3.46Å; A157-M176 HydrophobicContact CB-CB 4.21Å
158T95.1Very high92.7Very high0 Ų052.1 Ų52.10%023%0.234CC..  trans-149.1147.8178.3-175.60000112.6D71 L156 D160 L163 K164 I175 M176D71-T158 PolarHBondContact OD2-OG1 3.23Å; L156-T158 HydrophobicContact CD2-CG2 3.87Å; L156-T158 HydrophobicContact CG-CG2 4.19Å; T158-D160 PolarHBondContact OG1-N 3.32Å; T158-D160 VanDerWaalsContact OG1-N 3.14Å; T158-L163 HydrophobicContact CG2-CB 4.44Å; T158-L163 HydrophobicContact CG2-CD2 4.02Å; T158-L163 HydrophobicContact CG2-CG 4.1Å; T158-K164 HydrophobicContact CG2-CG 3.87Å; T158-I175 HydrophobicContact CG2-CG2 4.43Å; T158-M176 PolarHBondContact N-O 3.07Å
159V92.4Very high92.6Very high31 Ų3160 Ų6019%0.18827%0.268CS..  trans-100.6-14.3173.7-172.90000111.2F74 F77 K164 I178F74-V159 HydrophobicContact CD2-CG2 4.03Å; F77-V159 HydrophobicContact CB-CG2 4.11Å; F77-V159 HydrophobicContact CD2-CB 3.83Å; F77-V159 HydrophobicContact CD2-CG1 3.92Å; F77-V159 HydrophobicContact CD2-CG2 3.93Å; F77-V159 HydrophobicContact CE2-CB 4.15Å; F77-V159 HydrophobicContact CE2-CG1 3.95Å; F77-V159 HydrophobicContact CG-CB 4.45Å; F77-V159 HydrophobicContact CG-CG1 4.32Å; F77-V159 HydrophobicContact CG-CG2 4.16Å; F77-V159 HydrophobicContact CZ-CG1 4.34Å; V159-K164 WeakPolarHBondContact O-CE 3.47Å; V159-K164 PolarHBondContact O-NZ 2.89Å; V159-I178 HydrophobicContact CG2-CB 4.41Å; V159-I178 HydrophobicContact CG2-CD1 4.31Å; V159-I178 HydrophobicContact CG2-CG1 4.12Å
160D94.1Very high92.5Very high44 Ų4457.4 Ų57.424%0.23525%0.251CS..  trans-68.8133.1-175177.736.2000112.5T158 D162 L163 K164T158-D160 PolarHBondContact OG1-N 3.32Å; T158-D160 VanDerWaalsContact OG1-N 3.14Å; D160-D162 PolarHBondContact OD1-N 3.48Å; D160-D162 PolarHBondContact OD2-N 3.11Å; D160-L163 HydrophobicContact CB-CB 4.11Å; D160-L163 WeakPolarHBondContact OD2-CB 3.34Å; D160-L163 PolarHBondContact OD2-N 3Å; D160-K164 VanDerWaalsContact O-CB 3.32Å; D160-K164 WeakPolarHBondContact O-CB 3.29Å; D160-K164 WeakPolarHBondContact O-CE 3.41Å; D160-K164 WeakPolarHBondContact O-CG 3.4Å; D160-K164 PolarHBondContact O-N 2.96Å; D160-K164 VanDerWaalsContact O-N 3.1Å
161R92.9Very high92.4Very high202 Ų20253.1 Ų53.176%0.76223%0.233SC*.Hα-helixtrans-70.8-37.4-176.9-65.9-177.2177.1-168.7-1.2111.6R165R161-R165 WeakPolarHBondContact O-CB 3.34Å; R161-R165 PolarHBondContact O-N 2.91Å
162D94Very high92.2Very high86 Ų8648.7 Ų48.746%0.4622%0.216SC..Hα-helixtrans-78-40.4-175.9-70.1-39.6000111.7D160 R165 R166D160-D162 PolarHBondContact OD1-N 3.48Å; D160-D162 PolarHBondContact OD2-N 3.11Å; D162-R165 PolarHBondContact O-N 2.9Å; D162-R165 IonicContact OD1-CZ 3.42Å; D162-R165 IonicContact OD1-NH1 3.23Å; D162-R165 PolarHBondContact OD1-NH1 3.22Å; D162-R165 IonicContact OD1-NH2 2.75Å; D162-R166 PolarHBondContact O-N 3.09Å
163L93.4Very high92.4Very high0 Ų047.7 Ų47.70%021%0.211CC..Hα-helixtrans-60.3-45169.6-173.353.5000111.7D141 L144 V145 L156 T158 D160 R165 R166 V167D141-L163 HydrophobicContact CB-CD1 4.07Å; L144-L163 HydrophobicContact CD1-CD2 4.15Å; V145-L163 HydrophobicContact CG2-CD1 3.55Å; L156-L163 HydrophobicContact CD2-CD1 4.4Å; L156-L163 HydrophobicContact CD2-CD2 4.14Å; L156-L163 HydrophobicContact CD2-CG 4.02Å; T158-L163 HydrophobicContact CG2-CB 4.44Å; T158-L163 HydrophobicContact CG2-CD2 4.02Å; T158-L163 HydrophobicContact CG2-CG 4.1Å; D160-L163 HydrophobicContact CB-CB 4.11Å; D160-L163 WeakPolarHBondContact OD2-CB 3.34Å; D160-L163 PolarHBondContact OD2-N 3Å; L163-R165 VanDerWaalsContact C-N 3.35Å; L163-R165 PolarHBondContact O-N 3.41Å; L163-R166 PolarHBondContact O-N 3.25Å; L163-R166 VanDerWaalsContact O-N 3.16Å; L163-V167 HydrophobicContact CD1-CG2 4.03Å; L163-V167 HydrophobicContact CG-CG2 4.37Å; L163-V167 VanDerWaalsContact O-CG2 3.23Å; L163-V167 WeakPolarHBondContact O-CG2 3.19Å; L163-V167 PolarHBondContact O-N 3.06Å
164K93.8Very high92.5Very high26 Ų2646.3 Ų46.311%0.11320%0.202CC..Hα-helixtrans-57.7-44.6173.4-77.1-176-77.4-164.70112.4T158 V159 D160 R166 V167 R168 I175T158-K164 HydrophobicContact CG2-CG 3.87Å; V159-K164 WeakPolarHBondContact O-CE 3.47Å; V159-K164 PolarHBondContact O-NZ 2.89Å; D160-K164 VanDerWaalsContact O-CB 3.32Å; D160-K164 WeakPolarHBondContact O-CB 3.29Å; D160-K164 WeakPolarHBondContact O-CE 3.41Å; D160-K164 WeakPolarHBondContact O-CG 3.4Å; D160-K164 PolarHBondContact O-N 2.96Å; D160-K164 VanDerWaalsContact O-N 3.1Å; K164-R166 VanDerWaalsContact C-N 3.3Å; K164-R166 PolarHBondContact O-N 3.4Å; K164-V167 PolarHBondContact O-N 2.85Å; K164-R168 WeakPolarHBondContact O-CB 3.33Å; K164-R168 VanDerWaalsContact O-CG 3.29Å; K164-R168 WeakPolarHBondContact O-CG 3.33Å; K164-R168 PolarHBondContact O-N 2.95Å; K164-I175 HydrophobicContact CB-CD1 4.49Å; K164-I175 HydrophobicContact CD-CG2 4.01Å; K164-I175 HydrophobicContact CG-CD1 4.4Å; K164-I175 HydrophobicContact CG-CG2 3.82Å
165R93.6Very high92.5Very high151 Ų15144.9 Ų44.957%0.5720%0.196SC*.Hα-helixtrans-61.3-38.4177.8-168.5-171.2-67.8126.80.8111.9R161 D162 L163R161-R165 WeakPolarHBondContact O-CB 3.34Å; R161-R165 PolarHBondContact O-N 2.91Å; D162-R165 PolarHBondContact O-N 2.9Å; D162-R165 IonicContact OD1-CZ 3.42Å; D162-R165 IonicContact OD1-NH1 3.23Å; D162-R165 PolarHBondContact OD1-NH1 3.22Å; D162-R165 IonicContact OD1-NH2 2.75Å; L163-R165 VanDerWaalsContact C-N 3.35Å; L163-R165 PolarHBondContact O-N 3.41Å
166R94.3Very high92.6Very high72 Ų7244.8 Ų44.827%0.27220%0.196SC..Hα-helixtrans-67-46.9176-75.4-177.1-72.7177.3-7.2111.7D141 D142 V145 D162 L163 K164 R168 K169D141-R166 VanDerWaalsContact CG-NH2 3.34Å; D141-R166 IonicContact OD2-CZ 3.84Å; D141-R166 IonicContact OD2-NH2 2.88Å; D141-R166 PolarHBondContact OD2-NH2 2.77Å; D142-R166 IonicContact OD1-NH1 3.52Å; D142-R166 PolarHBondContact OD1-NH1 2.98Å; V145-R166 HydrophobicContact CG2-CB 4.31Å; D162-R166 PolarHBondContact O-N 3.09Å; L163-R166 PolarHBondContact O-N 3.25Å; L163-R166 VanDerWaalsContact O-N 3.16Å; K164-R166 VanDerWaalsContact C-N 3.3Å; K164-R166 PolarHBondContact O-N 3.4Å; R166-R168 PolarHBondContact O-N 2.79Å; R166-K169 WeakPolarHBondContact O-CB 3.27Å; R166-K169 PolarHBondContact O-N 3.04Å
167V92.8Very high92.5Very high0 Ų047.1 Ų47.10%021%0.205CC..Hα-helixtrans-70.7-32.6-175.2176.70000111.9V145 L156 L163 K164 K169 I170 V173 I175V145-V167 HydrophobicContact CG2-CG2 4.31Å; L156-V167 HydrophobicContact CD2-CB 4.23Å; L156-V167 HydrophobicContact CD2-CG1 4.18Å; L156-V167 HydrophobicContact CD2-CG2 3.37Å; L163-V167 HydrophobicContact CD1-CG2 4.03Å; L163-V167 HydrophobicContact CG-CG2 4.37Å; L163-V167 VanDerWaalsContact O-CG2 3.23Å; L163-V167 WeakPolarHBondContact O-CG2 3.19Å; L163-V167 PolarHBondContact O-N 3.06Å; K164-V167 PolarHBondContact O-N 2.85Å; V167-K169 PolarHBondContact O-N 3.03Å; V167-K169 VanDerWaalsContact O-N 3.15Å; V167-I170 WeakPolarHBondContact O-CA 3.3Å; V167-I170 WeakPolarHBondContact O-CB 3.22Å; V167-I170 PolarHBondContact O-N 3.08Å; V167-V173 HydrophobicContact CG1-CB 4.25Å; V167-V173 HydrophobicContact CG1-CG1 3.78Å; V167-I175 HydrophobicContact CB-CD1 4.13Å; V167-I175 HydrophobicContact CG1-CD1 3.96Å; V167-I175 HydrophobicContact CG1-CG1 3.88Å
168R91.5Very high92.3Very high102 Ų10248.5 Ų48.539%0.38521%0.212SC..Hα-helixtrans-58.3-26.8173.2-76.8-177.4-167.6118.31114K164 R166 I170 I175 E186 R187K164-R168 WeakPolarHBondContact O-CB 3.33Å; K164-R168 VanDerWaalsContact O-CG 3.29Å; K164-R168 WeakPolarHBondContact O-CG 3.33Å; K164-R168 PolarHBondContact O-N 2.95Å; R166-R168 PolarHBondContact O-N 2.79Å; R168-I170 PolarHBondContact O-N 3.2Å; R168-I175 HydrophobicContact CG-CD1 3.8Å; R168-E186 IonicContact CZ-OE1 2.68Å; R168-E186 IonicContact CZ-OE2 2.8Å; R168-E186 IonicContact NE-OE1 3.4Å; R168-E186 PolarHBondContact NE-OE1 3.1Å; R168-E186 IonicContact NE-OE2 3.84Å; R168-E186 PolarHBondContact NE-OE2 2.65Å; R168-E186 IonicContact NH2-OE1 2.79Å; R168-E186 IonicContact NH2-OE2 3.52Å; R168-E186 PolarHBondContact NH2-OE2 3.48Å; R168-R187 PolarHBondContact O-NH1 3.35Å; R168-R187 VanDerWaalsContact O-NH1 3.14Å; R168-R187 PolarHBondContact O-NH2 3.39Å
169K91Very high92Very high165 Ų16550.4 Ų50.472%0.71723%0.225SC*.THydrogen-bonded Turntrans-70.1-21.9174.9-60.3179.4-179-177.70112.4R166 V167 P171R166-K169 WeakPolarHBondContact O-CB 3.27Å; R166-K169 PolarHBondContact O-N 3.04Å; V167-K169 PolarHBondContact O-N 3.03Å; V167-K169 VanDerWaalsContact O-N 3.15Å; K169-P171 WeakPolarHBondContact O-CD 3.25Å
170I88.6Confident91.8Very high21 Ų2155.6 Ų55.611%0.10825%0.252CS..SBendtrans-87.5120.3177.6-53.1169.1000107.9V145 V148 T149 V167 R168 V173 R187V145-I170 HydrophobicContact CG1-CD1 4.23Å; V148-I170 HydrophobicContact CG1-CD1 4.25Å; T149-I170 WeakPolarHBondContact OG1-CD1 3.3Å; V167-I170 WeakPolarHBondContact O-CA 3.3Å; V167-I170 WeakPolarHBondContact O-CB 3.22Å; V167-I170 PolarHBondContact O-N 3.08Å; R168-I170 PolarHBondContact O-N 3.2Å; I170-V173 HydrophobicContact CB-CG2 4.29Å; I170-V173 HydrophobicContact CG2-CG2 3.69Å; I170-R187 PolarHBondContact O-NH1 2.84Å
171P87.6Confident91.4Very high29 Ų2960 Ų6019%0.18827%0.271CS..THydrogen-bonded Turntrans-78.8142.3176.930.1-31.8000111.1Y50 M54 Q57 K152 K169Y50-P171 VanDerWaalsContact OH-CG 3.22Å; Y50-P171 WeakPolarHBondContact OH-CG 3.41Å; M54-P171 HydrophobicContact CE-CB 4.08Å; Q57-P171 HydrophobicContact CG-CB 4.46Å; K152-P171 PolarHBondContact NZ-O 3.31Å; K169-P171 WeakPolarHBondContact O-CD 3.25Å
172G86Confident91.3Very high10 Ų1059.3 Ų59.310%0.10327%0.268CS..THydrogen-bonded Turntrans87.811.8175.600000115.6N59N59-G172 PolarHBondContact ND2-O 3.13Å
173V90.9Very high91.2Very high1 Ų155.7 Ų55.71%0.00625%0.248CC..  trans-115113.6-179.9-177.50000109.5V148 V167 I170V148-V173 HydrophobicContact CG1-CB 3.9Å; V148-V173 HydrophobicContact CG1-CG1 3.38Å; V148-V173 HydrophobicContact CG1-CG2 3.33Å; V167-V173 HydrophobicContact CG1-CB 4.25Å; V167-V173 HydrophobicContact CG1-CG1 3.78Å; I170-V173 HydrophobicContact CB-CG2 4.29Å; I170-V173 HydrophobicContact CG2-CG2 3.69Å
174P92.4Very high91.1Very high1 Ų156.9 Ų56.91%0.00625%0.254CS..  trans-74.5151.2173.5-15.530.8000111.9L62 I155 L156 I185 E186 M188L62-P174 HydrophobicContact CD1-CG 3.58Å; I155-P174 HydrophobicContact CG1-CB 4.2Å; I155-P174 HydrophobicContact CG1-CG 4.1Å; I155-P174 HydrophobicContact CG2-CB 4.26Å; L156-P174 PolarHBondContact N-O 3.43Å; P174-I185 HydrophobicContact CB-CD1 3.86Å; P174-I185 HydrophobicContact CB-CG1 4.06Å; P174-E186 WeakPolarHBondContact CA-O 3.33Å; P174-M188 HydrophobicContact CB-SD 4.33Å; P174-M188 HydrophobicContact CG-SD 4.04Å
175I93.6Very high91Very high0 Ų055.9 Ų55.90%025%0.25CS..EExtended strand (participates in β ladder)trans-120.1120.2179.1-57.9174.2000108.5L156 T158 K164 V167 R168 I185 E186L156-I175 CarbonylContact O-C 3.5Å; L156-I175 WeakPolarHBondContact O-CA 3.45Å; T158-I175 HydrophobicContact CG2-CG2 4.43Å; K164-I175 HydrophobicContact CB-CD1 4.49Å; K164-I175 HydrophobicContact CD-CG2 4.01Å; K164-I175 HydrophobicContact CG-CD1 4.4Å; K164-I175 HydrophobicContact CG-CG2 3.82Å; V167-I175 HydrophobicContact CB-CD1 4.13Å; V167-I175 HydrophobicContact CG1-CD1 3.96Å; V167-I175 HydrophobicContact CG1-CG1 3.88Å; R168-I175 HydrophobicContact CG-CD1 3.8Å; I175-I185 CarbonylContact O-C 3.55Å; I175-I185 WeakPolarHBondContact O-CA 3.26Å; I175-E186 HydrophobicContact CB-CB 4.3Å; I175-E186 PolarHBondContact N-O 3.4Å; I175-E186 PolarHBondContact O-N 3.43Å
176M94.3Very high90.7Very high0 Ų051 Ų510%023%0.234CC..EExtended strand (participates in β ladder)trans-94.7132.6171.9-174.6177-73.700110I68 F74 M89 C92 L93 I155 L156 A157 T158 Y183 N184I68-M176 HydrophobicContact CD1-CE 4.01Å; I68-M176 HydrophobicContact CD1-SD 4.45Å; F74-M176 HydrophobicContact CE2-CG 4.47Å; F74-M176 HydrophobicContact CZ-CG 4.42Å; F74-M176 HydrophobicContact CZ-SD 4.42Å; M89-M176 HydrophobicContact CE-SD 4.46Å; M89-M176 HydrophobicContact CG-CE 4.41Å; M89-M176 HydrophobicContact CG-SD 3.8Å; C92-M176 HydrophobicContact CB-CE 4.39Å; L93-M176 HydrophobicContact CD1-CE 3.62Å; L93-M176 HydrophobicContact CG-CE 3.9Å; I155-M176 HydrophobicContact CG2-CB 4.09Å; L156-M176 PolarHBondContact O-N 2.94Å; A157-M176 WeakPolarHBondContact CA-O 3.46Å; A157-M176 HydrophobicContact CB-CB 4.21Å; T158-M176 PolarHBondContact N-O 3.07Å; M176-Y183 HydrophobicContact SD-CD2 3.94Å; M176-Y183 HydrophobicContact SD-CG 4.37Å; M176-N184 WeakPolarHBondContact CA-O 3.48Å
177Y93.8Very high90Very high49 Ų4952 Ų5219%0.19224%0.238CC..EExtended strand (participates in β ladder)trans-141.4163-179.466.7-83.2000111.2N184 E186Y177-N184 HydrophobicContact CD1-CB 4.41Å; Y177-N184 HydrophobicContact CD2-CB 4.43Å; Y177-N184 HydrophobicContact CE1-CB 3.81Å; Y177-N184 HydrophobicContact CE2-CB 3.85Å; Y177-N184 VanDerWaalsContact CZ-CB 3.48Å; Y177-N184 PolarHBondContact N-O 3.14Å; Y177-N184 PolarHBondContact O-N 3.39Å; Y177-E186 HydrophobicContact CE1-CB 4.15Å
178I92.3Very high89.3Confident29 Ų2952.9 Ų52.915%0.14924%0.242CC..EExtended strand (participates in β ladder)trans-98.4126.8-179-49.2-177.5000108.6F74 F77 S78 L83 V159 Y183F74-I178 HydrophobicContact CD2-CD1 4.11Å; F74-I178 HydrophobicContact CD2-CG1 3.99Å; F74-I178 HydrophobicContact CE2-CD1 3.9Å; F74-I178 HydrophobicContact CE2-CG1 3.48Å; F74-I178 VanDerWaalsContact CE2-CG1 3.48Å; F74-I178 HydrophobicContact CZ-CD1 4.14Å; F74-I178 HydrophobicContact CZ-CG1 3.95Å; F77-I178 HydrophobicContact CB-CD1 3.74Å; S78-I178 WeakPolarHBondContact OG-CD1 3.34Å; L83-I178 HydrophobicContact CD1-CG2 4.21Å; V159-I178 HydrophobicContact CG2-CB 4.41Å; V159-I178 HydrophobicContact CG2-CD1 4.31Å; V159-I178 HydrophobicContact CG2-CG1 4.12Å; I178-Y183 HydrophobicContact CB-CD1 4.4Å; I178-Y183 HydrophobicContact CD1-CD1 4.33Å; I178-Y183 HydrophobicContact CD1-CE1 3.69Å; I178-Y183 HydrophobicContact CG1-CD1 3.74Å; I178-Y183 HydrophobicContact CG1-CE1 3.61Å; I178-Y183 HydrophobicContact CG2-CD1 4.37Å; I178-Y183 HydrophobicContact CG2-CE1 4.41Å
179S89.6Confident88.1Confident39 Ų3951.4 Ų51.427%0.27325%0.246SC..EExtended strand (participates in β ladder)trans-147.3142.1173.7-174.60000109.8H181 R182S179-H181 PolarHBondContact O-N 3.34Å; S179-H181 VanDerWaalsContact O-N 3.14Å; S179-R182 PolarHBondContact N-O 2.89Å; S179-R182 CarbonylContact O-C 3.29Å; S179-R182 PolarHBondContact O-N 2.96Å
180N86.4Confident86.9Confident141 Ų14147.5 Ų47.575%0.75423%0.233SC*.THydrogen-bonded Turntrans49.740.5177.2-61.4-18.4000114.6R182N180-R182 PolarHBondContact O-N 3.33Å
181H86.7Confident85.5Confident136 Ų13648.7 Ų48.763%0.6324%0.239SC*.THydrogen-bonded Turntrans57.627.6-176.2-57.476.7000114.1L83 S179L83-H181 WeakPolarHBondContact CD2-O 3.38Å; S179-H181 PolarHBondContact O-N 3.34Å; S179-H181 VanDerWaalsContact O-N 3.14Å
182R90.2Very high84.1Confident187 Ų18757.3 Ų57.371%0.70627%0.27SS*.EExtended strand (participates in β ladder)trans-137.1159.9173.7-64.2-175-178.8-172.1-1110S179 N180S179-R182 PolarHBondContact N-O 2.89Å; S179-R182 CarbonylContact O-C 3.29Å; S179-R182 PolarHBondContact O-N 2.96Å; N180-R182 PolarHBondContact O-N 3.33Å
183Y93.2Very high82.4Confident11 Ų1159.4 Ų59.44%0.04329%0.291CS..EExtended strand (participates in β ladder)trans-87130.7169.4-66-7.4000108.8F74 S78 L83 S88 M89 C92 M176 I178F74-Y183 HydrophobicContact CE1-CE1 4.27Å; F74-Y183 AromaticContact CE1-CE2 3.98Å; F74-Y183 HydrophobicContact CE1-CE2 3.98Å; F74-Y183 AromaticContact CE1-CZ 3.78Å; F74-Y183 HydrophobicContact CZ-CD1 4.02Å; F74-Y183 HydrophobicContact CZ-CD2 4.06Å; F74-Y183 AromaticContact CZ-CE1 3.74Å; F74-Y183 HydrophobicContact CZ-CE1 3.74Å; F74-Y183 AromaticContact CZ-CE2 3.76Å; F74-Y183 HydrophobicContact CZ-CE2 3.76Å; F74-Y183 HydrophobicContact CZ-CG 4.2Å; F74-Y183 AromaticContact CZ-CZ 3.63Å; S78-Y183 VanDerWaalsContact CB-OH 3.32Å; S78-Y183 WeakPolarHBondContact CB-OH 3.33Å; S78-Y183 PolarHBondContact OG-OH 2.9Å; L83-Y183 HydrophobicContact CB-CE1 4.31Å; L83-Y183 HydrophobicContact CD1-CD1 3.97Å; L83-Y183 HydrophobicContact CD1-CE1 3.55Å; S88-Y183 VanDerWaalsContact C-CD2 3.48Å; S88-Y183 VanDerWaalsContact CB-CD2 3.46Å; M89-Y183 HydrophobicContact CG-CD2 3.97Å; M89-Y183 HydrophobicContact CG-CE2 3.93Å; C92-Y183 PolarHBondContact SG-O 3Å; M176-Y183 HydrophobicContact SD-CD2 3.94Å; M176-Y183 HydrophobicContact SD-CG 4.37Å; I178-Y183 HydrophobicContact CB-CD1 4.4Å; I178-Y183 HydrophobicContact CD1-CD1 4.33Å; I178-Y183 HydrophobicContact CD1-CE1 3.69Å; I178-Y183 HydrophobicContact CG1-CD1 3.74Å; I178-Y183 HydrophobicContact CG1-CE1 3.61Å; I178-Y183 HydrophobicContact CG2-CD1 4.37Å; I178-Y183 HydrophobicContact CG2-CE1 4.41Å
184N91.1Very high80.6Confident24 Ų2461 Ų6113%0.12830%0.304CS..EExtended strand (participates in β ladder)trans-118152.8173.1-70.5-8.2000108.2M176 Y177M176-N184 WeakPolarHBondContact CA-O 3.48Å; Y177-N184 HydrophobicContact CD1-CB 4.41Å; Y177-N184 HydrophobicContact CD2-CB 4.43Å; Y177-N184 HydrophobicContact CE1-CB 3.81Å; Y177-N184 HydrophobicContact CE2-CB 3.85Å; Y177-N184 VanDerWaalsContact CZ-CB 3.48Å; Y177-N184 PolarHBondContact N-O 3.14Å; Y177-N184 PolarHBondContact O-N 3.39Å
185I90.4Very high78.4Confident5 Ų564 Ų643%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-112.9152173.8-161.4160.5000110.1L93 I155 P174 I175 M188 D191L93-I185 HydrophobicContact CD2-CD1 3.62Å; I155-I185 HydrophobicContact CD1-CD1 4.11Å; I155-I185 HydrophobicContact CG2-CD1 4.15Å; P174-I185 HydrophobicContact CB-CD1 3.86Å; P174-I185 HydrophobicContact CB-CG1 4.06Å; I175-I185 CarbonylContact O-C 3.55Å; I175-I185 WeakPolarHBondContact O-CA 3.26Å; I185-M188 HydrophobicContact CD1-CB 4.03Å; I185-M188 HydrophobicContact CD1-CG 4.28Å; I185-M188 HydrophobicContact CD1-SD 3.76Å; I185-M188 HydrophobicContact CG1-CB 4.11Å; I185-M188 HydrophobicContact CG2-CB 3.78Å; I185-M188 HydrophobicContact CG2-CG 4.48Å; I185-D191 VanDerWaalsContact CG2-CG 3.47Å; I185-D191 WeakPolarHBondContact CG2-OD2 3.42Å; I185-D191 VanDerWaalsContact O-OD2 3.14Å
186E88.1Confident76.2Confident50 Ų5075.6 Ų75.623%0.23437%0.368CS..EExtended strand (participates in β ladder)trans-122.7141.5174.6-160.9-162.8126.700107.2R168 P174 I175 Y177 M188R168-E186 IonicContact CZ-OE1 2.68Å; R168-E186 IonicContact CZ-OE2 2.8Å; R168-E186 IonicContact NE-OE1 3.4Å; R168-E186 PolarHBondContact NE-OE1 3.1Å; R168-E186 IonicContact NE-OE2 3.84Å; R168-E186 PolarHBondContact NE-OE2 2.65Å; R168-E186 IonicContact NH2-OE1 2.79Å; R168-E186 IonicContact NH2-OE2 3.52Å; R168-E186 PolarHBondContact NH2-OE2 3.48Å; P174-E186 WeakPolarHBondContact CA-O 3.33Å; I175-E186 HydrophobicContact CB-CB 4.3Å; I175-E186 PolarHBondContact N-O 3.4Å; I175-E186 PolarHBondContact O-N 3.43Å; Y177-E186 HydrophobicContact CE1-CB 4.15Å; E186-M188 PolarHBondContact O-N 2.93Å
187R79.9Confident73.6Confident92 Ų9287.9 Ų87.935%0.34742%0.422SS..SBendtrans62.723174.8-47.4178.374.4-16112.3114.4R168 I170R168-R187 PolarHBondContact O-NH1 3.35Å; R168-R187 VanDerWaalsContact O-NH1 3.14Å; R168-R187 PolarHBondContact O-NH2 3.39Å; I170-R187 PolarHBondContact O-NH1 2.84Å
188M76.8Confident72.6Confident18 Ų1889.9 Ų89.99%0.08943%0.433CS..  trans-80.3128.6161.5-163.784.4179.800107.4Y66 L93 P174 I185 E186 D190 D191Y66-M188 HydrophobicContact CD1-CE 4.46Å; Y66-M188 HydrophobicContact CE1-CE 3.53Å; Y66-M188 HydrophobicContact CE2-CE 4.39Å; Y66-M188 VanDerWaalsContact CZ-CE 3.49Å; Y66-M188 VanDerWaalsContact OH-CE 3.28Å; Y66-M188 WeakPolarHBondContact OH-CE 3.28Å; L93-M188 HydrophobicContact CD2-CE 4.29Å; L93-M188 HydrophobicContact CD2-SD 4.33Å; P174-M188 HydrophobicContact CB-SD 4.33Å; P174-M188 HydrophobicContact CG-SD 4.04Å; I185-M188 HydrophobicContact CD1-CB 4.03Å; I185-M188 HydrophobicContact CD1-CG 4.28Å; I185-M188 HydrophobicContact CD1-SD 3.76Å; I185-M188 HydrophobicContact CG1-CB 4.11Å; I185-M188 HydrophobicContact CG2-CB 3.78Å; I185-M188 HydrophobicContact CG2-CG 4.48Å; E186-M188 PolarHBondContact O-N 2.93Å; M188-D190 VanDerWaalsContact C-N 3.32Å; M188-D191 HydrophobicContact CB-CB 4.08Å; M188-D191 WeakPolarHBondContact O-CB 3.41Å
189P66.3Low71.6Confident72 Ų7293.1 Ų93.147%0.46845%0.448SS..THydrogen-bonded Turntrans-73.2-26.3179.125.8-30.8000112.9Y58 D191Y58-P189 HydrophobicContact CD2-CB 3.46Å; Y58-P189 VanDerWaalsContact CD2-CB 3.46Å; Y58-P189 HydrophobicContact CD2-CG 3.46Å; Y58-P189 VanDerWaalsContact CD2-CG 3.46Å; Y58-P189 HydrophobicContact CE2-CB 3.32Å; Y58-P189 HydrophobicContact CE2-CG 3.11Å; P189-D191 VanDerWaalsContact C-N 3.34Å
190D66.1Low70.6Confident82 Ų8296.1 Ų96.144%0.43946%0.458SS..THydrogen-bonded Turntrans-97.633.9176.6-56.8-49.4000112.3M188 Y192M188-D190 VanDerWaalsContact C-N 3.32Å; D190-Y192 HydrophobicContact CB-CE2 4.4Å; D190-Y192 WeakPolarHBondContact O-CD2 3.25Å; D190-Y192 WeakPolarHBondContact O-CE2 3.22Å; D190-Y192 PolarHBondContact O-N 3.39Å
191D60.8Low69.6Low46 Ų4693.4 Ų93.425%0.24644%0.441CS..  trans-74.497.9-174.8-155.5-22.6000111.9I185 M188 P189 G193 A194I185-D191 VanDerWaalsContact CG2-CG 3.47Å; I185-D191 WeakPolarHBondContact CG2-OD2 3.42Å; I185-D191 VanDerWaalsContact O-OD2 3.14Å; M188-D191 HydrophobicContact CB-CB 4.08Å; M188-D191 WeakPolarHBondContact O-CB 3.41Å; P189-D191 VanDerWaalsContact C-N 3.34Å; D191-G193 VanDerWaalsContact C-N 3.3Å; D191-G193 PolarHBondContact OD1-N 3.06Å; D191-A194 PolarHBondContact OD1-N 2.99Å; D191-A194 WeakPolarHBondContact OD2-CB 3.39Å
192Y56.9Low68.6Low210 Ų21090.8 Ų90.882%0.82443%0.429SS*.SBendtrans-78.8-10175.4-66-81.5000113.3D190D190-Y192 HydrophobicContact CB-CE2 4.4Å; D190-Y192 WeakPolarHBondContact O-CD2 3.25Å; D190-Y192 WeakPolarHBondContact O-CE2 3.22Å; D190-Y192 PolarHBondContact O-N 3.39Å
193G51.4Low67.1Low54 Ų5484.3 Ų84.356%0.55741%0.41SS*.SBendtrans-126.3-13.8-163.900000117.2D191D191-G193 VanDerWaalsContact C-N 3.3Å; D191-G193 PolarHBondContact OD1-N 3.06Å
194A52.4Low65.3Low34 Ų3489.6 Ų89.628%0.28144%0.437SS..SBendtrans-66.6135.2179.700000112.4D191 R196D191-A194 PolarHBondContact OD1-N 2.99Å; D191-A194 WeakPolarHBondContact OD2-CB 3.39Å; A194-R196 PolarHBondContact O-N 3.38Å
195P46.1Very low63.3Low66 Ų6694.6 Ų94.643%0.42946%0.46SS..  trans-60113.5169.323.9-30.4000108.4F197P195-F197 HydrophobicContact CB-CE2 4.14Å; P195-F197 HydrophobicContact CG-CE2 4.01Å; P195-F197 PolarHBondContact O-N 3.22Å; P195-F197 VanDerWaalsContact O-N 3.14Å
196R46.7Very low61Low243 Ų243102.1 Ų102.192%0.91750%0.497SS*.  trans-69.3107.3170.3-61.3-175.6-173.5-170.81.7106.6A194A194-R196 PolarHBondContact O-N 3.38Å
197F41.1Very low58.6Low258 Ų258106.8 Ų106.8100%1.13252%0.521SS*.  trans-870163.4-70.4-78.4000108.9P195P195-F197 HydrophobicContact CB-CE2 4.14Å; P195-F197 HydrophobicContact CG-CE2 4.01Å; P195-F197 PolarHBondContact O-N 3.22Å; P195-F197 VanDerWaalsContact O-N 3.14Å

Retrieved 197 of 197 residues in 90.3 ms (Link to these results)