A0A087YN66_POEFO Loading...

Lin-28 homolog B (C. elegans)

AlphaFold DB , UniProt , Accession A0A087YN66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 237 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
1M52.8Low48.1Very low250 Ų250126.2 Ų126.2100%1.23289%0.894SS**  0127.90-69.817817400106.6
2A50.8Low47.4Very low96 Ų96122.2 Ų122.279%0.79389%0.886SS**  trans-80.8141.5-160.300000114.3
3E49.6Very low47.3Very low195 Ų195120.8 Ų120.891%0.91188%0.884SS**  trans30.8125.4132-53.3-9588.100118.9
4G45.2Very low46.6Very low89 Ų89117.9 Ų117.992%0.91888%0.881SS**  trans176.586.9164.700000117.1
5G48Very low46.6Very low71 Ų71114.3 Ų114.373%0.73287%0.866SS**  trans-156.6173.4152.600000109.3
6P57.9Low46.8Very low135 Ų135118.9 Ų118.988%0.87787%0.867SS**  cis-126.9176.2-22.937.6-21.1000113
7G48.6Very low47.2Very low79 Ų79120.1 Ų120.181%0.81486%0.859SS**  trans74100.6140.500000120
8K49.3Very low47.5Very low222 Ų222120.1 Ų120.197%0.96586%0.855SS**  trans-122104.3154.8-103.1166.365.5-178.20108.9
9G45.6Very low47.7Very low80 Ų80117.3 Ų117.383%0.82584%0.839SS**  trans-134.8133.4170.900000110.1
10G41.6Very low47.5Very low87 Ų87121 Ų12190%0.89784%0.839SS**  trans91.883.7155.100000117.9
11G39.3Very low47.7Very low84 Ų84118.9 Ų118.987%0.86682%0.824SS**  trans-116.2130.4139.300000106.5
12G39.4Very low48Very low78 Ų78111.2 Ų111.280%0.80479%0.791SS**  cis111.183.425.300000108.8
13A46.8Very low48.3Very low104 Ų104114.2 Ų114.286%0.8679%0.789SS**  trans45.498155.600000119
14G37.8Very low48.6Very low81 Ų81112.3 Ų112.384%0.83578%0.78SS**  trans-98.789.914900000108.5E16G14-E16 PolarHBondContact O-N 3.17Å
15G45.6Very low49Very low64 Ų64115 Ų11566%0.6677%0.769SS**  trans-68.3118.1165.900000108.6D17G15-D17 PolarHBondContact O-N 3.35Å
16E50.3Low49.6Very low188 Ų188118.4 Ų118.488%0.87977%0.766SS**  trans-82.393162.148.1-172.69000107.5G14 P18G14-E16 PolarHBondContact O-N 3.17Å; E16-P18 VanDerWaalsContact O-CD 3.27Å; E16-P18 WeakPolarHBondContact O-CD 3.27Å
17D54.2Low49.6Very low139 Ų139121.9 Ų121.974%0.74376%0.762SS**  trans-61.8118174.8-71-77.1000111.2G15 A19G15-D17 PolarHBondContact O-N 3.35Å; D17-A19 PolarHBondContact O-N 3.38Å; D17-A19 VanDerWaalsContact O-N 3.12Å
18P51.7Low49.9Very low120 Ų120120.7 Ų120.778%0.77974%0.744SS**THydrogen-bonded Turntrans-84.131.6175.735.9-35.3000112.5E16E16-P18 VanDerWaalsContact O-CD 3.27Å; E16-P18 WeakPolarHBondContact O-CD 3.27Å
19A51.3Low50.3Low67 Ų67119.9 Ų119.955%0.55473%0.734SS**THydrogen-bonded Turntrans-105.12.9-170.400000114.8D17D17-A19 PolarHBondContact O-N 3.38Å; D17-A19 VanDerWaalsContact O-N 3.12Å
20K43.3Very low51Low191 Ų191119.7 Ų119.783%0.8373%0.726SS**SBendtrans-98.415.7-176.8-151.5176.1179.9177.20114.8
21S52.8Low52.7Low77 Ų77120.3 Ų120.354%0.53871%0.705SS.*SBendtrans-108.8-22.7-178.351.90000114.3E25S21-E25 WeakPolarHBondContact O-CB 3.48Å
22T59.8Low55.1Low88 Ų88120 Ų12054%0.5469%0.686SS.*Hα-helixtrans-81.7-44-169.639.30000113.7Q24 E25 E26T22-Q24 PolarHBondContact O-N 3.12Å; T22-E25 PolarHBondContact O-N 3.11Å; T22-E26 PolarHBondContact O-N 3.34Å; T22-E26 VanDerWaalsContact O-N 3.1Å
23E56.7Low57.6Low160 Ų160118.7 Ų118.775%0.74866%0.66SS**Hα-helixtrans-72.8-30.5-176.2-60-171.2122.700113.3R27E23-R27 PolarHBondContact O-N 3.32Å
24Q54.8Low59.9Low155 Ų155116.4 Ų116.472%0.72464%0.638SS**Hα-helixtrans-75-29.7178.3-161.9168.210.800111.9T22 A28T22-Q24 PolarHBondContact O-N 3.12Å; Q24-A28 WeakPolarHBondContact O-CB 3.45Å; Q24-A28 PolarHBondContact O-N 3.1Å
25E54.9Low62.6Low145 Ų145113 Ų11368%0.67860%0.603SS**Hα-helixtrans-76.8-34.7174.5-172.4152.191.800112.1S21 T22 A28 R29S21-E25 WeakPolarHBondContact O-CB 3.48Å; T22-E25 PolarHBondContact O-N 3.11Å; E25-A28 PolarHBondContact O-N 3.28Å; E25-R29 PolarHBondContact O-N 3.39Å; E25-R29 VanDerWaalsContact O-N 3.11Å
26E59Low65Low143 Ų143111.5 Ų111.567%0.66858%0.582SS**Hα-helixtrans-69.7-41.3177.3-155.8174.5148.200112.3T22 A28 R29 A30T22-E26 PolarHBondContact O-N 3.34Å; T22-E26 VanDerWaalsContact O-N 3.1Å; E26-A28 VanDerWaalsContact C-N 3.25Å; E26-A28 PolarHBondContact O-N 3.46Å; E26-R29 PolarHBondContact O-N 3.19Å; E26-A30 PolarHBondContact O-N 3.44Å
27R58.2Low67.2Low208 Ų208102.6 Ų102.679%0.78554%0.541SS*.Hα-helixtrans-66.4-27.1172.3-165.5172.8-175.1-175.92.5112.8E23 A30E23-R27 PolarHBondContact O-N 3.32Å; R27-A30 PolarHBondContact O-N 3.28Å
28A55.2Low69.3Low53 Ų53100.3 Ų100.344%0.43853%0.525SS..Hα-helixtrans-76.3-24.3174.500000113.2Q24 E25 E26 A30Q24-A28 WeakPolarHBondContact O-CB 3.45Å; Q24-A28 PolarHBondContact O-N 3.1Å; E25-A28 PolarHBondContact O-N 3.28Å; E26-A28 VanDerWaalsContact C-N 3.25Å; E26-A28 PolarHBondContact O-N 3.46Å; A28-A30 VanDerWaalsContact C-N 3.33Å
29R58.5Low71.4Confident205 Ų20594.7 Ų94.777%0.77449%0.488SS*.Hα-helixtrans-74.9-21.7169.9-73176.696.3176.35.8112.9E25 E26 Q31E25-R29 PolarHBondContact O-N 3.39Å; E25-R29 VanDerWaalsContact O-N 3.11Å; E26-R29 PolarHBondContact O-N 3.19Å; R29-Q31 VanDerWaalsContact C-N 3.3Å; R29-Q31 PolarHBondContact O-N 2.73Å
30A60.3Low73.6Confident77 Ų7795.8 Ų95.864%0.63648%0.481SS*.THydrogen-bonded Turntrans-76.3-4.5-171.800000115.8E26 R27 A28E26-A30 PolarHBondContact O-N 3.44Å; R27-A30 PolarHBondContact O-N 3.28Å; A28-A30 VanDerWaalsContact C-N 3.33Å
31Q77.1Confident76.1Confident99 Ų9991.4 Ų91.446%0.46346%0.459SS..THydrogen-bonded Turntrans-135.854179.3-62-17813.100111.4R29 L33 K93R29-Q31 VanDerWaalsContact C-N 3.3Å; R29-Q31 PolarHBondContact O-N 2.73Å; Q31-L33 HydrophobicContact CB-CD1 4.21Å; Q31-L33 WeakPolarHBondContact O-CD1 3.37Å; Q31-K93 WeakPolarHBondContact O-CA 3.46Å
32V89.4Confident78.2Confident77 Ų7788.9 Ų88.947%0.46744%0.438SS..EExtended strand (participates in β ladder)trans-88.9113.8166.1178.90000107I91 L102V32-I91 HydrophobicContact CG1-CG2 3.19Å; V32-L102 HydrophobicContact CG1-CD1 4.07Å; V32-L102 HydrophobicContact CG2-CD1 3.94Å
33L92.6Very high79.9Confident52 Ų5287.3 Ų87.327%0.27243%0.427SS..EExtended strand (participates in β ladder)trans-117.9156.9179.5-60.1101.2000110.1Q31 E57 I91 Y92Q31-L33 HydrophobicContact CB-CD1 4.21Å; Q31-L33 WeakPolarHBondContact O-CD1 3.37Å; L33-E57 HydrophobicContact CB-CG 4.39Å; L33-E57 HydrophobicContact CD2-CG 4.04Å; L33-I91 CarbonylContact O-C 3.56Å; L33-I91 VanDerWaalsContact O-CA 3.27Å; L33-I91 WeakPolarHBondContact O-CA 3.33Å; L33-I91 WeakPolarHBondContact O-CG2 3.35Å; L33-Y92 HydrophobicContact CB-CD1 4.31Å; L33-Y92 HydrophobicContact CB-CE1 3.73Å; L33-Y92 HydrophobicContact CB-CE2 4.06Å; L33-Y92 HydrophobicContact CD1-CE2 4.08Å; L33-Y92 PolarHBondContact N-O 2.9Å; L33-Y92 PolarHBondContact O-N 2.94Å
34S94.4Very high81.7Confident55 Ų5581 Ų8139%0.38540%0.399SS..EExtended strand (participates in β ladder)trans-104.6147.5172.667.70000111E57 F90S34-E57 WeakPolarHBondContact CA-OE1 3.44Å; S34-E57 WeakPolarHBondContact CB-OE1 3.39Å; S34-E57 PolarHBondContact N-OE1 2.61Å; S34-E57 PolarHBondContact O-N 2.91Å; S34-E57 PolarHBondContact OG-OE1 2.89Å; S34-F90 CarbonylContact C-O 3.59Å; S34-F90 WeakPolarHBondContact CA-O 3.43Å
35G95.1Very high83.4Confident10 Ų1084.1 Ų84.110%0.10340%0.404CS..EExtended strand (participates in β ladder)trans-155.5166.3178.100000111.9N55 F90G35-N55 CarbonylContact C-O 3.57Å; G35-N55 WeakPolarHBondContact CA-O 3.02Å; G35-F90 PolarHBondContact N-O 3.12Å; G35-F90 PolarHBondContact O-N 2.85Å
36S96.5Very high85.2Confident32 Ų3282.2 Ų82.222%0.22440%0.397CS..EExtended strand (participates in β ladder)trans-132.5154172.8690000110.5T54 N55 V88S36-T54 PolarHBondContact O-N 2.87Å; S36-T54 PolarHBondContact O-OG1 3.42Å; S36-N55 PolarHBondContact N-O 3.44Å; S36-N55 PolarHBondContact O-N 3.45Å; S36-N55 WeakPolarHBondContact OG-CB 3.45Å; S36-V88 WeakPolarHBondContact CA-O 3.36Å
37G96.3Very high86.9Confident2 Ų275.4 Ų75.42%0.02137%0.365CS..EExtended strand (participates in β ladder)trans179.5-155.8-179.100000112.3S52 Q87 V88G37-S52 VanDerWaalsContact CA-O 3.26Å; G37-S52 WeakPolarHBondContact CA-O 3.45Å; G37-Q87 WeakPolarHBondContact O-CA 3.49Å; G37-V88 PolarHBondContact N-O 3.37Å; G37-V88 PolarHBondContact O-N 3.5Å
38F96.9Very high88.8Confident90 Ų9068.1 Ų68.140%0.39534%0.339SS..EExtended strand (participates in β ladder)trans-126.4141.3-177.7-57.6-85.6000110.7K40 I51 S52 T54 E86 Q87F38-K40 PolarHBondContact O-N 3.09Å; F38-I51 CarbonylContact O-C 3.5Å; F38-I51 WeakPolarHBondContact O-CA 3.4Å; F38-I51 WeakPolarHBondContact O-CG2 3.16Å; F38-S52 PolarHBondContact N-O 3.34Å; F38-S52 PolarHBondContact O-N 2.97Å; F38-T54 HydrophobicContact CD2-CG2 3.98Å; F38-T54 HydrophobicContact CE2-CG2 4.09Å; F38-E86 CarbonylContact C-O 3.49Å; F38-E86 VanDerWaalsContact CA-O 3.29Å; F38-E86 WeakPolarHBondContact CA-O 3.42Å; F38-Q87 HydrophobicContact CD1-CB 4.09Å; F38-Q87 HydrophobicContact CE1-CB 3.92Å; F38-Q87 HydrophobicContact CE1-CG 4.15Å
39C97.4Very high90.8Very high2 Ų265.6 Ų65.61%0.01432%0.318CS..EExtended strand (participates in β ladder)trans-62.3112.3172.2175.70000109.8L82 K83 G85 E86C39-L82 HydrophobicContact CB-CB 4.07Å; C39-L82 HydrophobicContact CB-CD1 4.17Å; C39-L82 VanDerWaalsContact SG-CB 3.56Å; C39-K83 WeakPolarHBondContact CB-O 3.16Å; C39-G85 PolarHBondContact O-N 3.4Å; C39-E86 HydrophobicContact CB-CB 4.38Å; C39-E86 PolarHBondContact N-O 3.25Å
40K96.7Very high92.6Very high91 Ų9158.7 Ų58.740%0.39629%0.294SS..EExtended strand (participates in β ladder)trans-70.8-46.5179.4-170.4-178-175.31660110.7F38 F50 D66F38-K40 PolarHBondContact O-N 3.09Å; K40-F50 WeakPolarHBondContact CB-O 3.35Å; K40-F50 PolarHBondContact N-O 2.84Å; K40-D66 VanDerWaalsContact CD-OD1 3.31Å; K40-D66 WeakPolarHBondContact CD-OD1 3.26Å; K40-D66 IonicContact NZ-OD1 2.86Å; K40-D66 PolarHBondContact NZ-OD1 3.26Å; K40-D66 IonicContact NZ-OD2 3.38Å; K40-D66 PolarHBondContact NZ-OD2 3.1Å
41W96.3Very high94.4Very high99 Ų9955 Ų5538%0.37526%0.264SS..EExtended strand (participates in β ladder)trans-165.1153.5171.856.4-96.8000109.8N43 F48 G49 F50W41-N43 HydrophobicContact CZ3-CB 4.36Å; W41-F48 HydrophobicContact CH2-CD2 4.1Å; W41-F48 AromaticContact CH2-CE2 3.87Å; W41-F48 HydrophobicContact CH2-CE2 3.87Å; W41-F48 HydrophobicContact CZ3-CD2 4.02Å; W41-F48 AromaticContact CZ3-CE2 3.98Å; W41-F48 HydrophobicContact CZ3-CE2 3.98Å; W41-G49 CarbonylContact O-C 3.58Å; W41-G49 WeakPolarHBondContact O-CA 3.27Å; W41-F50 HydrophobicContact CD2-CD2 4.48Å; W41-F50 AromaticContact CE2-CD2 3.59Å; W41-F50 AromaticContact CH2-CD2 3.53Å; W41-F50 HydrophobicContact CH2-CD2 3.53Å; W41-F50 AromaticContact CH2-CE2 3.75Å; W41-F50 HydrophobicContact CH2-CE2 3.75Å; W41-F50 AromaticContact CZ2-CD2 3.08Å; W41-F50 HydrophobicContact CZ2-CD2 3.08Å; W41-F50 AromaticContact CZ2-CE2 3.47Å; W41-F50 HydrophobicContact CZ2-CE2 3.47Å; W41-F50 VanDerWaalsContact CZ2-CE2 3.47Å; W41-F50 HydrophobicContact CZ2-CG 4.15Å; W41-F50 HydrophobicContact CZ3-CD2 4.39Å; W41-F50 PolarHBondContact N-O 2.87Å; W41-F50 PolarHBondContact O-N 3.39Å
42F96.9Very high95.4Very high23 Ų2351.7 Ų51.710%0.10125%0.251CS..EExtended strand (participates in β ladder)trans-139.4121.4175.6-168.7-90.6000110.7V44 V69 Q71 L74 L82F42-V44 HydrophobicContact CD1-CG2 4.03Å; F42-V44 PolarHBondContact O-N 2.82Å; F42-V69 HydrophobicContact CD2-CG1 4.31Å; F42-Q71 HydrophobicContact CZ-CB 4.14Å; F42-L74 HydrophobicContact CE2-CD1 4.04Å; F42-L74 HydrophobicContact CZ-CD1 4.05Å; F42-L82 HydrophobicContact CB-CB 4.07Å; F42-L82 HydrophobicContact CD2-CB 4.09Å; F42-L82 HydrophobicContact CD2-CD1 4.3Å; F42-L82 HydrophobicContact CD2-CG 4.29Å; F42-L82 HydrophobicContact CG-CB 4.1Å
43N95.4Very high95.7Very high56 Ų5648 Ų4830%0.29923%0.229SC..EExtended strand (participates in β ladder)trans-8497.7173.7-170.2-39.2000109.4W41 R45 M46 G47 F48W41-N43 HydrophobicContact CZ3-CB 4.36Å; N43-R45 PolarHBondContact O-N 2.94Å; N43-R45 WeakPolarHBondContact OD1-CB 3.27Å; N43-R45 PolarHBondContact OD1-N 2.83Å; N43-M46 HydrophobicContact CB-CB 4.16Å; N43-M46 HydrophobicContact CB-CG 4.47Å; N43-M46 PolarHBondContact O-N 3.34Å; N43-M46 VanDerWaalsContact O-N 3.15Å; N43-M46 PolarHBondContact OD1-N 3.21Å; N43-G47 PolarHBondContact O-N 2.8Å; N43-F48 PolarHBondContact N-O 2.87Å
44V93.2Very high95.9Very high28 Ų2848 Ų4817%0.1723%0.231CC..THydrogen-bonded Turntrans-60.1-31.1-177.6-171.90000113.2F42 F79 S115 P119F42-V44 HydrophobicContact CD1-CG2 4.03Å; F42-V44 PolarHBondContact O-N 2.82Å; V44-F79 HydrophobicContact CG1-CE1 3.29Å; V44-F79 HydrophobicContact CG1-CZ 3.32Å; V44-S115 WeakPolarHBondContact CG2-OG 3.24Å; V44-P119 VanDerWaalsContact CG1-CD 3.48Å; V44-P119 HydrophobicContact CG1-CG 3.9Å
45R90.3Very high95.9Very high219 Ų21947.1 Ų47.183%0.82622%0.222SC*.THydrogen-bonded Turntrans-74.9-38.4178.4-172.5178.675.8-178.93.4111.8N43N43-R45 PolarHBondContact O-N 2.94Å; N43-R45 WeakPolarHBondContact OD1-CB 3.27Å; N43-R45 PolarHBondContact OD1-N 2.83Å
46M93.8Very high95.7Very high105 Ų10547.7 Ų47.752%0.51723%0.225SC..THydrogen-bonded Turntrans-89.1-16.1-178.7-60-171.175.700113.3N43 F48N43-M46 HydrophobicContact CB-CB 4.16Å; N43-M46 HydrophobicContact CB-CG 4.47Å; N43-M46 PolarHBondContact O-N 3.34Å; N43-M46 VanDerWaalsContact O-N 3.15Å; N43-M46 PolarHBondContact OD1-N 3.21Å; M46-F48 HydrophobicContact CB-CD1 3.62Å; M46-F48 HydrophobicContact CB-CE1 3.34Å; M46-F48 HydrophobicContact CB-CZ 4.01Å; M46-F48 HydrophobicContact CE-CE1 3.36Å; M46-F48 HydrophobicContact CE-CZ 3.6Å; M46-F48 HydrophobicContact CG-CE1 4.1Å; M46-F48 HydrophobicContact CG-CZ 4.45Å; M46-F48 HydrophobicContact SD-CE1 3.7Å; M46-F48 HydrophobicContact SD-CZ 3.58Å; M46-F48 VanDerWaalsContact SD-CZ 3.58Å
47G95.3Very high95.3Very high1 Ų151.6 Ų51.61%0.0124%0.239CC..THydrogen-bonded Turntrans73.627.617800000113.7N43 H70 Q71N43-G47 PolarHBondContact O-N 2.8Å; G47-H70 PolarHBondContact O-CD2 2.93Å; G47-Q71 WeakPolarHBondContact O-CB 3.35Å; G47-Q71 WeakPolarHBondContact O-CG 3.4Å; G47-Q71 PolarHBondContact O-N 2.72Å
48F96.6Very high94.7Very high55 Ų5554.5 Ų54.524%0.24127%0.269CS..EExtended strand (participates in β ladder)trans-145.7163.1174.967.2-103.5000112.1W41 N43 M46 F68 V69W41-F48 HydrophobicContact CH2-CD2 4.1Å; W41-F48 AromaticContact CH2-CE2 3.87Å; W41-F48 HydrophobicContact CH2-CE2 3.87Å; W41-F48 HydrophobicContact CZ3-CD2 4.02Å; W41-F48 AromaticContact CZ3-CE2 3.98Å; W41-F48 HydrophobicContact CZ3-CE2 3.98Å; N43-F48 PolarHBondContact N-O 2.87Å; M46-F48 HydrophobicContact CB-CD1 3.62Å; M46-F48 HydrophobicContact CB-CE1 3.34Å; M46-F48 HydrophobicContact CB-CZ 4.01Å; M46-F48 HydrophobicContact CE-CE1 3.36Å; M46-F48 HydrophobicContact CE-CZ 3.6Å; M46-F48 HydrophobicContact CG-CE1 4.1Å; M46-F48 HydrophobicContact CG-CZ 4.45Å; M46-F48 HydrophobicContact SD-CE1 3.7Å; M46-F48 HydrophobicContact SD-CZ 3.58Å; M46-F48 VanDerWaalsContact SD-CZ 3.58Å; F48-F68 HydrophobicContact CB-CE2 3.92Å; F48-F68 HydrophobicContact CB-CZ 3.97Å; F48-F68 HydrophobicContact CD2-CE2 4.1Å; F48-F68 HydrophobicContact CG-CE2 4.19Å; F48-F68 HydrophobicContact CG-CZ 4.48Å; F48-V69 CarbonylContact C-O 3.55Å; F48-V69 WeakPolarHBondContact CA-O 3.41Å; F48-V69 WeakPolarHBondContact CB-O 3.37Å
49G97.2Very high94.3Very high0 Ų053.8 Ų53.80%028%0.275CS..EExtended strand (participates in β ladder)trans-164.3-166.8-178.100000112.7W41 V69W41-G49 CarbonylContact O-C 3.58Å; W41-G49 WeakPolarHBondContact O-CA 3.27Å; G49-V69 VanDerWaalsContact C-CG1 3.43Å; G49-V69 PolarHBondContact N-O 3.25Å; G49-V69 WeakPolarHBondContact O-CG1 3.18Å; G49-V69 PolarHBondContact O-N 3.29Å
50F97.9Very high94Very high60 Ų6059.2 Ų59.226%0.26331%0.31SS..EExtended strand (participates in β ladder)trans-132.1145.5172.2-75.9-100.3000110.9K40 W41 D66 V67 F68K40-F50 WeakPolarHBondContact CB-O 3.35Å; K40-F50 PolarHBondContact N-O 2.84Å; W41-F50 HydrophobicContact CD2-CD2 4.48Å; W41-F50 AromaticContact CE2-CD2 3.59Å; W41-F50 AromaticContact CH2-CD2 3.53Å; W41-F50 HydrophobicContact CH2-CD2 3.53Å; W41-F50 AromaticContact CH2-CE2 3.75Å; W41-F50 HydrophobicContact CH2-CE2 3.75Å; W41-F50 AromaticContact CZ2-CD2 3.08Å; W41-F50 HydrophobicContact CZ2-CD2 3.08Å; W41-F50 AromaticContact CZ2-CE2 3.47Å; W41-F50 HydrophobicContact CZ2-CE2 3.47Å; W41-F50 VanDerWaalsContact CZ2-CE2 3.47Å; W41-F50 HydrophobicContact CZ2-CG 4.15Å; W41-F50 HydrophobicContact CZ3-CD2 4.39Å; W41-F50 PolarHBondContact N-O 2.87Å; W41-F50 PolarHBondContact O-N 3.39Å; F50-D66 HydrophobicContact CD1-CB 3.95Å; F50-V67 CarbonylContact C-O 3.54Å; F50-V67 VanDerWaalsContact CA-O 3.32Å; F50-V67 WeakPolarHBondContact CA-O 3.45Å; F50-F68 HydrophobicContact CD1-CB 4.47Å; F50-F68 HydrophobicContact CE1-CB 4.08Å; F50-F68 HydrophobicContact CE1-CD2 4.37Å; F50-F68 HydrophobicContact CE2-CD2 4.05Å; F50-F68 HydrophobicContact CZ-CB 4.45Å; F50-F68 AromaticContact CZ-CD2 3.94Å; F50-F68 HydrophobicContact CZ-CD2 3.94Å
51I97.7Very high93.8Very high0 Ų056.6 Ų56.60%030%0.302CS..EExtended strand (participates in β ladder)trans-108.8131.2173.4-61.6164.2000107.2F38 M53 V67 V69 L82 V88 F90 V104F38-I51 CarbonylContact O-C 3.5Å; F38-I51 WeakPolarHBondContact O-CA 3.4Å; F38-I51 WeakPolarHBondContact O-CG2 3.16Å; I51-M53 PolarHBondContact O-N 2.79Å; I51-V67 HydrophobicContact CB-CB 4.44Å; I51-V67 PolarHBondContact N-O 2.84Å; I51-V67 PolarHBondContact O-N 2.89Å; I51-V69 HydrophobicContact CD1-CB 3.93Å; I51-V69 HydrophobicContact CD1-CG1 4.08Å; I51-V69 HydrophobicContact CD1-CG2 4.23Å; I51-V69 HydrophobicContact CG1-CB 4.31Å; I51-V69 HydrophobicContact CG1-CG1 3.93Å; I51-L82 HydrophobicContact CD1-CD1 4.32Å; I51-L82 HydrophobicContact CG1-CD1 4.29Å; I51-V88 HydrophobicContact CD1-CG2 3.97Å; I51-V88 HydrophobicContact CG1-CG2 4.14Å; I51-V88 HydrophobicContact CG2-CG2 3.61Å; I51-F90 HydrophobicContact CB-CE1 4.43Å; I51-F90 HydrophobicContact CD1-CD1 4.13Å; I51-F90 HydrophobicContact CD1-CG 4.41Å; I51-F90 HydrophobicContact CG2-CD1 4.01Å; I51-F90 HydrophobicContact CG2-CE1 3.44Å; I51-F90 VanDerWaalsContact CG2-CE1 3.44Å; I51-F90 HydrophobicContact CG2-CZ 4Å; I51-V104 HydrophobicContact CD1-CG1 3.99Å; I51-V104 HydrophobicContact CD1-CG2 4Å
52S97.3Very high93.5Very high28 Ų2859.1 Ų59.120%0.19632%0.323CS..EExtended strand (participates in β ladder)trans-83.3106.2169.6-173.40000108.1G37 F38 P64G37-S52 VanDerWaalsContact CA-O 3.26Å; G37-S52 WeakPolarHBondContact CA-O 3.45Å; F38-S52 PolarHBondContact N-O 3.34Å; F38-S52 PolarHBondContact O-N 2.97Å; S52-P64 VanDerWaalsContact OG-CB 3.26Å; S52-P64 WeakPolarHBondContact OG-CB 3.28Å
53M96.5Very high93.2Very high1 Ų162.5 Ų62.51%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-78.3120.1-180-175.7166.866.400110.1I51 N55 P64 L65 V67 F90 Y92 L99I51-M53 PolarHBondContact O-N 2.79Å; M53-N55 WeakPolarHBondContact CG-O 3.43Å; M53-P64 VanDerWaalsContact O-CA 3.28Å; M53-P64 WeakPolarHBondContact O-CA 3.49Å; M53-L65 HydrophobicContact CB-CB 4.47Å; M53-L65 WeakPolarHBondContact CB-O 3.37Å; M53-L65 HydrophobicContact CE-CB 3.87Å; M53-L65 HydrophobicContact CE-CD1 3.77Å; M53-L65 HydrophobicContact CE-CG 4.34Å; M53-L65 PolarHBondContact N-O 3.32Å; M53-L65 PolarHBondContact O-N 3.39Å; M53-V67 HydrophobicContact CB-CG2 3.98Å; M53-V67 HydrophobicContact CE-CG2 4.49Å; M53-V67 HydrophobicContact SD-CG2 4.26Å; M53-F90 HydrophobicContact CB-CZ 3.85Å; M53-F90 HydrophobicContact CG-CE2 4.37Å; M53-F90 HydrophobicContact CG-CZ 3.75Å; M53-F90 HydrophobicContact SD-CE2 3.94Å; M53-F90 HydrophobicContact SD-CZ 3.94Å; M53-Y92 HydrophobicContact CE-CE1 4.33Å; M53-Y92 HydrophobicContact CE-CE2 4.47Å; M53-Y92 HydrophobicContact SD-CD1 4.16Å; M53-Y92 HydrophobicContact SD-CE1 3.49Å; M53-Y92 WeakPolarHBondContact SD-CE1 3.19Å; M53-L99 HydrophobicContact CE-CD1 4.05Å
54T96Very high93.1Very high50 Ų5062.9 Ų62.931%0.30735%0.353SS..EExtended strand (participates in β ladder)trans-104.2-20.9178.156.50000112.4S36 F38 P60 V61S36-T54 PolarHBondContact O-N 2.87Å; S36-T54 PolarHBondContact O-OG1 3.42Å; F38-T54 HydrophobicContact CD2-CG2 3.98Å; F38-T54 HydrophobicContact CE2-CG2 4.09Å; T54-P60 WeakPolarHBondContact O-CA 3.29Å; T54-V61 PolarHBondContact O-N 3.23Å
55N94.1Very high93.1Very high38 Ų3865.1 Ų65.120%0.20336%0.363CS..EExtended strand (participates in β ladder)trans-140.8138178.1-169.4-74.7000110.3G35 S36 M53 G58 S59G35-N55 CarbonylContact C-O 3.57Å; G35-N55 WeakPolarHBondContact CA-O 3.02Å; S36-N55 PolarHBondContact N-O 3.44Å; S36-N55 PolarHBondContact O-N 3.45Å; S36-N55 WeakPolarHBondContact OG-CB 3.45Å; M53-N55 WeakPolarHBondContact CG-O 3.43Å; N55-G58 VanDerWaalsContact ND2-C 3.26Å; N55-G58 PolarHBondContact ND2-O 2.87Å; N55-G58 WeakPolarHBondContact OD1-CA 3.43Å; N55-G58 PolarHBondContact OD1-N 2.94Å; N55-S59 CarbonylContact C-O 3.47Å; N55-S59 VanDerWaalsContact CA-O 3.29Å; N55-S59 WeakPolarHBondContact CA-O 3.44Å; N55-S59 VanDerWaalsContact ND2-C 3.26Å; N55-S59 PolarHBondContact ND2-O 2.9Å; N55-S59 PolarHBondContact OD1-N 3.37Å
56S92.4Very high93.4Very high22 Ų2258.1 Ų58.115%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-128.1124.8177.7168.80000108.3G58 S59 Y92S56-G58 PolarHBondContact O-N 2.85Å; S56-G58 VanDerWaalsContact O-N 3.09Å; S56-S59 PolarHBondContact N-O 2.76Å; S56-S59 PolarHBondContact O-N 3.07Å; S56-Y92 PolarHBondContact OG-OH 2.86Å
57E88.1Confident93.6Very high114 Ų11453.1 Ų53.153%0.53332%0.318SS..THydrogen-bonded Turntrans49.635.2178.4-61.1-77105.600113.3L33 S34 S59L33-E57 HydrophobicContact CB-CG 4.39Å; L33-E57 HydrophobicContact CD2-CG 4.04Å; S34-E57 WeakPolarHBondContact CA-OE1 3.44Å; S34-E57 WeakPolarHBondContact CB-OE1 3.39Å; S34-E57 PolarHBondContact N-OE1 2.61Å; S34-E57 PolarHBondContact O-N 2.91Å; S34-E57 PolarHBondContact OG-OE1 2.89Å; E57-S59 VanDerWaalsContact C-N 3.32Å; E57-S59 PolarHBondContact O-N 3.05Å
58G82.8Confident93.7Very high62 Ų6256.2 Ų56.264%0.63933%0.331SS*.THydrogen-bonded Turntrans86.3-10.2-178.100000115N55 S56N55-G58 VanDerWaalsContact ND2-C 3.26Å; N55-G58 PolarHBondContact ND2-O 2.87Å; N55-G58 WeakPolarHBondContact OD1-CA 3.43Å; N55-G58 PolarHBondContact OD1-N 2.94Å; S56-G58 PolarHBondContact O-N 2.85Å; S56-G58 VanDerWaalsContact O-N 3.09Å
59S89.4Confident93.7Very high76 Ų7653.6 Ų53.653%0.53132%0.319SS..EExtended strand (participates in β ladder)trans-96.7134.3178.3-62.80000112.2N55 S56 E57N55-S59 CarbonylContact C-O 3.47Å; N55-S59 VanDerWaalsContact CA-O 3.29Å; N55-S59 WeakPolarHBondContact CA-O 3.44Å; N55-S59 VanDerWaalsContact ND2-C 3.26Å; N55-S59 PolarHBondContact ND2-O 2.9Å; N55-S59 PolarHBondContact OD1-N 3.37Å; S56-S59 PolarHBondContact N-O 2.76Å; S56-S59 PolarHBondContact O-N 3.07Å; E57-S59 VanDerWaalsContact C-N 3.32Å; E57-S59 PolarHBondContact O-N 3.05Å
60P91.4Very high93.7Very high116 Ų11656.9 Ų56.975%0.75334%0.335SS*.EExtended strand (participates in β ladder)trans-64.8142174.426.8-32.2000111T54T54-P60 WeakPolarHBondContact O-CA 3.29Å
61V91.5Very high93.6Very high35 Ų3557.5 Ų57.521%0.21234%0.338CS..EExtended strand (participates in β ladder)trans-116.2119.3-178.9-174.10000109T54 L65T54-V61 PolarHBondContact O-N 3.23Å; V61-L65 HydrophobicContact CG1-CD1 3.92Å; V61-L65 HydrophobicContact CG1-CG 3.89Å
62D89.7Confident93.6Very high153 Ų15361 Ų6182%0.81836%0.363SS*.EExtended strand (participates in β ladder)trans-131.1120.1175.1-17425.4000109.2
63P91.2Very high93.5Very high93 Ų9363 Ų6360%0.60437%0.368SS*.EExtended strand (participates in β ladder)cis-72.6155.10.930.5-35.7000113.6L65P63-L65 PolarHBondContact O-N 2.77Å
64P92.4Very high93.5Very high65 Ų6563 Ų6342%0.42237%0.368SS..EExtended strand (participates in β ladder)trans-56.8135.3175.1-21.931.5000111.6S52 M53S52-P64 VanDerWaalsContact OG-CB 3.26Å; S52-P64 WeakPolarHBondContact OG-CB 3.28Å; M53-P64 VanDerWaalsContact O-CA 3.28Å; M53-P64 WeakPolarHBondContact O-CA 3.49Å
65L94.3Very high93.4Very high75 Ų7562.7 Ų62.739%0.39337%0.366SS..EExtended strand (participates in β ladder)trans-96.9138.7-178.8-64.7176.3000111M53 V61 P63 L99M53-L65 HydrophobicContact CB-CB 4.47Å; M53-L65 WeakPolarHBondContact CB-O 3.37Å; M53-L65 HydrophobicContact CE-CB 3.87Å; M53-L65 HydrophobicContact CE-CD1 3.77Å; M53-L65 HydrophobicContact CE-CG 4.34Å; M53-L65 PolarHBondContact N-O 3.32Å; M53-L65 PolarHBondContact O-N 3.39Å; V61-L65 HydrophobicContact CG1-CD1 3.92Å; V61-L65 HydrophobicContact CG1-CG 3.89Å; P63-L65 PolarHBondContact O-N 2.77Å; L65-L99 HydrophobicContact CB-CD1 4.14Å; L65-L99 HydrophobicContact CD1-CD1 4.19Å
66D96.1Very high93.4Very high72 Ų7262 Ų6239%0.38536%0.362SS..EExtended strand (participates in β ladder)trans-81.9120.9177.5-77.7-20.3000110.6K40 F50K40-D66 VanDerWaalsContact CD-OD1 3.31Å; K40-D66 WeakPolarHBondContact CD-OD1 3.26Å; K40-D66 IonicContact NZ-OD1 2.86Å; K40-D66 PolarHBondContact NZ-OD1 3.26Å; K40-D66 IonicContact NZ-OD2 3.38Å; K40-D66 PolarHBondContact NZ-OD2 3.1Å; F50-D66 HydrophobicContact CD1-CB 3.95Å
67V96.9Very high93.2Very high0 Ų069.7 Ų69.70%040%0.395CS..EExtended strand (participates in β ladder)trans-111.5123178-178.20000109.5F50 I51 M53 F90 L99F50-V67 CarbonylContact C-O 3.54Å; F50-V67 VanDerWaalsContact CA-O 3.32Å; F50-V67 WeakPolarHBondContact CA-O 3.45Å; I51-V67 HydrophobicContact CB-CB 4.44Å; I51-V67 PolarHBondContact N-O 2.84Å; I51-V67 PolarHBondContact O-N 2.89Å; M53-V67 HydrophobicContact CB-CG2 3.98Å; M53-V67 HydrophobicContact CE-CG2 4.49Å; M53-V67 HydrophobicContact SD-CG2 4.26Å; V67-F90 HydrophobicContact CB-CE2 4.23Å; V67-F90 HydrophobicContact CG1-CD2 4.3Å; V67-F90 HydrophobicContact CG1-CE2 4.05Å; V67-F90 HydrophobicContact CG2-CE2 3.87Å; V67-F90 HydrophobicContact CG2-CZ 4.17Å; V67-L99 HydrophobicContact CB-CB 4.41Å; V67-L99 HydrophobicContact CG1-CB 4.32Å; V67-L99 HydrophobicContact CG2-CB 4.01Å; V67-L99 HydrophobicContact CG2-CD1 4.03Å
68F97.6Very high93.2Very high66 Ų6667.5 Ų67.529%0.28940%0.403SS..EExtended strand (participates in β ladder)trans-69135.5177.9177.3-104.3000111.3F48 F50 H70 L99 E100 S101F48-F68 HydrophobicContact CB-CE2 3.92Å; F48-F68 HydrophobicContact CB-CZ 3.97Å; F48-F68 HydrophobicContact CD2-CE2 4.1Å; F48-F68 HydrophobicContact CG-CE2 4.19Å; F48-F68 HydrophobicContact CG-CZ 4.48Å; F50-F68 HydrophobicContact CD1-CB 4.47Å; F50-F68 HydrophobicContact CE1-CB 4.08Å; F50-F68 HydrophobicContact CE1-CD2 4.37Å; F50-F68 HydrophobicContact CE2-CD2 4.05Å; F50-F68 HydrophobicContact CZ-CB 4.45Å; F50-F68 AromaticContact CZ-CD2 3.94Å; F50-F68 HydrophobicContact CZ-CD2 3.94Å; F68-H70 HydrophobicContact CE1-CB 4.22Å; F68-L99 WeakPolarHBondContact CB-O 3.44Å; F68-L99 PolarHBondContact N-O 3.05Å; F68-E100 HydrophobicContact CD1-CG 4.21Å; F68-S101 WeakPolarHBondContact O-CB 3.29Å; F68-S101 PolarHBondContact O-N 2.85Å; F68-S101 PolarHBondContact O-OG 2.76Å
69V97.5Very high93.6Very high0 Ų067.2 Ų67.20%038%0.384CS..EExtended strand (participates in β ladder)trans-129.7134.8176.759.50000112.3F42 F48 G49 I51 L74 L82 S101 V104F42-V69 HydrophobicContact CD2-CG1 4.31Å; F48-V69 CarbonylContact C-O 3.55Å; F48-V69 WeakPolarHBondContact CA-O 3.41Å; F48-V69 WeakPolarHBondContact CB-O 3.37Å; G49-V69 VanDerWaalsContact C-CG1 3.43Å; G49-V69 PolarHBondContact N-O 3.25Å; G49-V69 WeakPolarHBondContact O-CG1 3.18Å; G49-V69 PolarHBondContact O-N 3.29Å; I51-V69 HydrophobicContact CD1-CB 3.93Å; I51-V69 HydrophobicContact CD1-CG1 4.08Å; I51-V69 HydrophobicContact CD1-CG2 4.23Å; I51-V69 HydrophobicContact CG1-CB 4.31Å; I51-V69 HydrophobicContact CG1-CG1 3.93Å; V69-L74 HydrophobicContact CG2-CD2 3.6Å; V69-L74 HydrophobicContact CG2-CG 4.46Å; V69-L82 HydrophobicContact CG1-CD1 4.12Å; V69-L82 HydrophobicContact CG2-CD1 4.3Å; V69-S101 VanDerWaalsContact CA-OG 3.26Å; V69-S101 WeakPolarHBondContact CA-OG 3.06Å; V69-S101 WeakPolarHBondContact CB-OG 3.35Å; V69-V104 HydrophobicContact CG2-CG2 3.76Å
70H97.6Very high93.8Very high69 Ų6968 Ų6832%0.31938%0.376SS..EExtended strand (participates in β ladder)trans-113.5146.5173.7-174.2-98.5000110.3G47 F68 S72 K73G47-H70 PolarHBondContact O-CD2 2.93Å; F68-H70 HydrophobicContact CE1-CB 4.22Å; H70-S72 WeakPolarHBondContact ND1-CB 3.36Å; H70-S72 PolarHBondContact ND1-N 2.85Å; H70-S72 PolarHBondContact ND1-OG 2.82Å; H70-S72 PolarHBondContact O-N 2.83Å; H70-K73 HydrophobicContact CB-CG 4.38Å; H70-K73 WeakPolarHBondContact O-CB 3.47Å; H70-K73 PolarHBondContact O-N 3.19Å
71Q95.8Very high94Very high73 Ų7362.6 Ų62.634%0.34134%0.341SS..G310 helixtrans-55-30.3-176.464160.432.300113.3F42 G47 K73 L74 R80F42-Q71 HydrophobicContact CZ-CB 4.14Å; G47-Q71 WeakPolarHBondContact O-CB 3.35Å; G47-Q71 WeakPolarHBondContact O-CG 3.4Å; G47-Q71 PolarHBondContact O-N 2.72Å; Q71-K73 PolarHBondContact O-N 3.21Å; Q71-L74 PolarHBondContact O-N 2.83Å; Q71-R80 HydrophobicContact CB-CB 4.14Å; Q71-R80 WeakPolarHBondContact O-CB 3.26Å; Q71-R80 WeakPolarHBondContact O-CD 3.28Å
72S96.1Very high94.2Very high73 Ų7361 Ų6151%0.5133%0.331SS..G310 helixtrans-69.6-15.6-179.5640000113.4H70H70-S72 WeakPolarHBondContact ND1-CB 3.36Å; H70-S72 PolarHBondContact ND1-N 2.85Å; H70-S72 PolarHBondContact ND1-OG 2.82Å; H70-S72 PolarHBondContact O-N 2.83Å
73K96.4Very high94.4Very high69 Ų6958.3 Ų58.330%0.331%0.312SS..G310 helixtrans-94.7-10-179.6-48.8-54.7-168.41720112.4H70 Q71 L102 R103 V104H70-K73 HydrophobicContact CB-CG 4.38Å; H70-K73 WeakPolarHBondContact O-CB 3.47Å; H70-K73 PolarHBondContact O-N 3.19Å; Q71-K73 PolarHBondContact O-N 3.21Å; K73-L102 WeakPolarHBondContact CD-O 3.48Å; K73-R103 WeakPolarHBondContact O-CA 3.2Å; K73-V104 PolarHBondContact O-N 2.79Å
74L96.5Very high94.6Very high2 Ų261 Ų611%0.0132%0.316CS..BIsolated β-bridgetrans-77.3125.3179.6-56.8-178.1000110.8F42 V69 Q71 M76 R80 L82 V104F42-L74 HydrophobicContact CE2-CD1 4.04Å; F42-L74 HydrophobicContact CZ-CD1 4.05Å; V69-L74 HydrophobicContact CG2-CD2 3.6Å; V69-L74 HydrophobicContact CG2-CG 4.46Å; Q71-L74 PolarHBondContact O-N 2.83Å; L74-M76 HydrophobicContact CB-CG 4.39Å; L74-M76 HydrophobicContact CB-SD 4.35Å; L74-M76 HydrophobicContact CD1-SD 4.41Å; L74-M76 PolarHBondContact O-N 2.98Å; L74-R80 HydrophobicContact CB-CB 4.25Å; L74-R80 HydrophobicContact CD1-CB 4.21Å; L74-R80 PolarHBondContact O-NH1 3.32Å; L74-L82 HydrophobicContact CD1-CD2 4.36Å; L74-L82 HydrophobicContact CD1-CG 3.94Å; L74-L82 HydrophobicContact CD2-CD1 3.78Å; L74-L82 HydrophobicContact CD2-CD2 3.84Å; L74-L82 HydrophobicContact CD2-CG 3.71Å; L74-L82 HydrophobicContact CG-CG 4.5Å; L74-V104 HydrophobicContact CD2-CB 3.73Å; L74-V104 HydrophobicContact CD2-CG1 3.96Å; L74-V104 HydrophobicContact CD2-CG2 4.13Å
75V94.4Very high94.8Very high43 Ų4360.2 Ų60.226%0.26132%0.321SS..  trans-86.294.2175.3-178.50000108.4R103 V104 T105 P111 C112V75-R103 HydrophobicContact CG2-CG 3.64Å; V75-V104 WeakPolarHBondContact CB-O 3.36Å; V75-V104 WeakPolarHBondContact CG2-O 3.34Å; V75-V104 PolarHBondContact N-O 2.93Å; V75-T105 HydrophobicContact CB-CG2 3.69Å; V75-T105 HydrophobicContact CG1-CG2 4.08Å; V75-T105 HydrophobicContact CG2-CG2 3.72Å; V75-P111 VanDerWaalsContact O-CA 3.28Å; V75-P111 WeakPolarHBondContact O-CA 3.46Å; V75-C112 PolarHBondContact O-N 2.9Å; V75-C112 VanDerWaalsContact O-N 3.1Å
76M92.8Very high94.8Very high24 Ų2457.6 Ų57.612%0.11831%0.306CS..  trans-160.1164.5173.561.1-169.3-63.100110.1L74 F79 R80 S81 C112L74-M76 HydrophobicContact CB-CG 4.39Å; L74-M76 HydrophobicContact CB-SD 4.35Å; L74-M76 HydrophobicContact CD1-SD 4.41Å; L74-M76 PolarHBondContact O-N 2.98Å; M76-F79 VanDerWaalsContact CE-O 3.25Å; M76-F79 WeakPolarHBondContact CE-O 3.37Å; M76-R80 HydrophobicContact CG-CB 4.14Å; M76-R80 HydrophobicContact CG-CG 3.81Å; M76-R80 VanDerWaalsContact O-CZ 3.3Å; M76-R80 PolarHBondContact O-NH1 2.98Å; M76-R80 WeakPolarHBondContact SD-CA 3.46Å; M76-R80 HydrophobicContact SD-CB 4.16Å; M76-R80 HydrophobicContact SD-CG 4.47Å; M76-S81 PolarHBondContact SD-N 2.84Å; M76-S81 VanDerWaalsContact SD-N 3.37Å; M76-C112 HydrophobicContact CB-CB 4.47Å; M76-C112 HydrophobicContact SD-CB 4.07Å
77E88.8Confident94.9Very high184 Ų18458.9 Ų58.986%0.8631%0.31SS*.SBendtrans-92.2150.2175.3-64.6-173.9174.200111.5F79E77-F79 PolarHBondContact O-N 3.47Å
78G89.1Confident94.9Very high68 Ų6858.9 Ų58.970%0.70131%0.31SS*.SBendtrans73.1-127.117700000114
79F89.6Confident94.8Very high55 Ų5559.1 Ų59.124%0.24131%0.312CS..SBendtrans-84.7116.5-174.1177.8-99.3000110.2V44 M76 E77 R118 P119V44-F79 HydrophobicContact CG1-CE1 3.29Å; V44-F79 HydrophobicContact CG1-CZ 3.32Å; M76-F79 VanDerWaalsContact CE-O 3.25Å; M76-F79 WeakPolarHBondContact CE-O 3.37Å; E77-F79 PolarHBondContact O-N 3.47Å; F79-R118 HydrophobicContact CD1-CG 4.25Å; F79-R118 HydrophobicContact CG-CG 4.46Å; F79-P119 VanDerWaalsContact CE1-CD 3.46Å; F79-P119 HydrophobicContact CE1-CG 4.22Å; F79-P119 HydrophobicContact CE2-CG 4.02Å; F79-P119 HydrophobicContact CZ-CG 3.6Å
80R94.1Very high94.8Very high93 Ų9359.4 Ų59.435%0.35131%0.313SS..  trans-87.5109.8-170.5-60-179.4-164.2-85-11.5111.9Q71 L74 M76Q71-R80 HydrophobicContact CB-CB 4.14Å; Q71-R80 WeakPolarHBondContact O-CB 3.26Å; Q71-R80 WeakPolarHBondContact O-CD 3.28Å; L74-R80 HydrophobicContact CB-CB 4.25Å; L74-R80 HydrophobicContact CD1-CB 4.21Å; L74-R80 PolarHBondContact O-NH1 3.32Å; M76-R80 HydrophobicContact CG-CB 4.14Å; M76-R80 HydrophobicContact CG-CG 3.81Å; M76-R80 VanDerWaalsContact O-CZ 3.3Å; M76-R80 PolarHBondContact O-NH1 2.98Å; M76-R80 WeakPolarHBondContact SD-CA 3.46Å; M76-R80 HydrophobicContact SD-CB 4.16Å; M76-R80 HydrophobicContact SD-CG 4.47Å
81S95.4Very high94.7Very high2 Ų259 Ų591%0.01431%0.313CS..  trans-148.4170.1173.362.40000111.5M76 G114 S115M76-S81 PolarHBondContact SD-N 2.84Å; M76-S81 VanDerWaalsContact SD-N 3.37Å; S81-G114 WeakPolarHBondContact O-CA 3.05Å; S81-S115 WeakPolarHBondContact OG-CB 3.38Å; S81-S115 PolarHBondContact OG-N 3.2Å; S81-S115 PolarHBondContact OG-OG 3.06Å
82L95.8Very high94.7Very high3 Ų356.2 Ų56.22%0.01630%0.299CS..  trans-118.3148.2171.6-68.2175.8000110C39 F42 I51 V69 L74 V88 C112C39-L82 HydrophobicContact CB-CB 4.07Å; C39-L82 HydrophobicContact CB-CD1 4.17Å; C39-L82 VanDerWaalsContact SG-CB 3.56Å; F42-L82 HydrophobicContact CB-CB 4.07Å; F42-L82 HydrophobicContact CD2-CB 4.09Å; F42-L82 HydrophobicContact CD2-CD1 4.3Å; F42-L82 HydrophobicContact CD2-CG 4.29Å; F42-L82 HydrophobicContact CG-CB 4.1Å; I51-L82 HydrophobicContact CD1-CD1 4.32Å; I51-L82 HydrophobicContact CG1-CD1 4.29Å; V69-L82 HydrophobicContact CG1-CD1 4.12Å; V69-L82 HydrophobicContact CG2-CD1 4.3Å; L74-L82 HydrophobicContact CD1-CD2 4.36Å; L74-L82 HydrophobicContact CD1-CG 3.94Å; L74-L82 HydrophobicContact CD2-CD1 3.78Å; L74-L82 HydrophobicContact CD2-CD2 3.84Å; L74-L82 HydrophobicContact CD2-CG 3.71Å; L74-L82 HydrophobicContact CG-CG 4.5Å; L82-V88 HydrophobicContact CD2-CG1 3.97Å; L82-C112 HydrophobicContact CD2-CB 3.83Å
83K94.8Very high94.6Very high95 Ų9555.5 Ų55.541%0.41329%0.287SS..  trans-87140.7168.7172.4175.4176.7165.60109.9C39 G85 E86 E116C39-K83 WeakPolarHBondContact CB-O 3.16Å; K83-G85 PolarHBondContact O-N 3.27Å; K83-E86 HydrophobicContact CB-CB 4.12Å; K83-E86 PolarHBondContact N-OE2 2.82Å; K83-E86 WeakPolarHBondContact O-CB 3.48Å; K83-E86 PolarHBondContact O-N 3.42Å; K83-E116 WeakPolarHBondContact CD-OE2 3.48Å; K83-E116 VanDerWaalsContact CE-OE2 3.24Å; K83-E116 WeakPolarHBondContact CE-OE2 3.41Å; K83-E116 IonicContact NZ-OE2 3.95Å; K83-E116 PolarHBondContact NZ-OE2 3.02Å
84E95.5Very high94.4Very high149 Ų14959.4 Ų59.470%0.69630%0.304SS*.THydrogen-bonded Turntrans-60.8131.9173.1-175176168.200110.8E86E84-E86 VanDerWaalsContact C-N 3.26Å; E84-E86 PolarHBondContact O-N 3.03Å
85G95.5Very high94.1Very high50 Ų5061.1 Ų61.152%0.51532%0.316SS..THydrogen-bonded Turntrans76.93-173.400000115C39 K83 Q87C39-G85 PolarHBondContact O-N 3.4Å; K83-G85 PolarHBondContact O-N 3.27Å; G85-Q87 PolarHBondContact O-N 3.48Å
86E95.5Very high93.9Very high20 Ų2065 Ų659%0.09335%0.346CS..  trans-66.3128.9175.5-175.1-179.7156.700110.9F38 C39 K83 E84 V88 C112 A113 G114F38-E86 CarbonylContact C-O 3.49Å; F38-E86 VanDerWaalsContact CA-O 3.29Å; F38-E86 WeakPolarHBondContact CA-O 3.42Å; C39-E86 HydrophobicContact CB-CB 4.38Å; C39-E86 PolarHBondContact N-O 3.25Å; K83-E86 HydrophobicContact CB-CB 4.12Å; K83-E86 PolarHBondContact N-OE2 2.82Å; K83-E86 WeakPolarHBondContact O-CB 3.48Å; K83-E86 PolarHBondContact O-N 3.42Å; E84-E86 VanDerWaalsContact C-N 3.26Å; E84-E86 PolarHBondContact O-N 3.03Å; E86-V88 HydrophobicContact CG-CG1 4.28Å; E86-C112 WeakPolarHBondContact OE1-CA 3.43Å; E86-C112 WeakPolarHBondContact OE1-CB 3.17Å; E86-A113 HydrophobicContact CG-CB 4.43Å; E86-A113 PolarHBondContact OE1-N 3.06Å; E86-G114 PolarHBondContact OE2-N 3.21Å; E86-G114 VanDerWaalsContact OE2-N 3.12Å
87Q96.6Very high93.7Very high99 Ų9973.7 Ų73.746%0.46338%0.383SS..EExtended strand (participates in β ladder)trans-71131.1173.2-173.3173.7-0.100110.1G37 F38 G85 P107G37-Q87 WeakPolarHBondContact O-CA 3.49Å; F38-Q87 HydrophobicContact CD1-CB 4.09Å; F38-Q87 HydrophobicContact CE1-CB 3.92Å; F38-Q87 HydrophobicContact CE1-CG 4.15Å; G85-Q87 PolarHBondContact O-N 3.48Å; Q87-P107 WeakPolarHBondContact O-CD 3.49Å
88V97.3Very high93.9Very high0 Ų066.7 Ų66.70%036%0.36CS..EExtended strand (participates in β ladder)trans-138.6147.1-175.8-68.40000111.3S36 G37 I51 L82 E86 F90 V104 T105S36-V88 WeakPolarHBondContact CA-O 3.36Å; G37-V88 PolarHBondContact N-O 3.37Å; G37-V88 PolarHBondContact O-N 3.5Å; I51-V88 HydrophobicContact CD1-CG2 3.97Å; I51-V88 HydrophobicContact CG1-CG2 4.14Å; I51-V88 HydrophobicContact CG2-CG2 3.61Å; L82-V88 HydrophobicContact CD2-CG1 3.97Å; E86-V88 HydrophobicContact CG-CG1 4.28Å; V88-F90 HydrophobicContact CG2-CD1 4.03Å; V88-F90 HydrophobicContact CG2-CE1 4.34Å; V88-V104 HydrophobicContact CB-CG1 3.91Å; V88-V104 HydrophobicContact CG1-CG1 4.05Å; V88-V104 HydrophobicContact CG2-CG1 4.46Å; V88-T105 WeakPolarHBondContact CA-O 3.26Å
89E96.8Very high94.2Very high70 Ų7065.2 Ų65.233%0.32734%0.336SS..EExtended strand (participates in β ladder)trans-110.2137.7167.9-71.2171.2-162.200108T105 G108 G109E89-T105 PolarHBondContact N-O 3.15Å; E89-T105 PolarHBondContact O-N 2.77Å; E89-T105 VanDerWaalsContact O-O 3.13Å; E89-T105 PolarHBondContact O-OG1 2.97Å; E89-G108 PolarHBondContact OE1-N 2.77Å; E89-G108 PolarHBondContact OE2-N 2.95Å; E89-G109 PolarHBondContact OE2-N 2.72Å
90F96.6Very high94.5Very high6 Ų664.8 Ų64.83%0.02634%0.335CS..EExtended strand (participates in β ladder)trans-150.6156-174.455.2-88.6000112.6S34 G35 I51 M53 V67 V88 Y92 R103 V104S34-F90 CarbonylContact C-O 3.59Å; S34-F90 WeakPolarHBondContact CA-O 3.43Å; G35-F90 PolarHBondContact N-O 3.12Å; G35-F90 PolarHBondContact O-N 2.85Å; I51-F90 HydrophobicContact CB-CE1 4.43Å; I51-F90 HydrophobicContact CD1-CD1 4.13Å; I51-F90 HydrophobicContact CD1-CG 4.41Å; I51-F90 HydrophobicContact CG2-CD1 4.01Å; I51-F90 HydrophobicContact CG2-CE1 3.44Å; I51-F90 VanDerWaalsContact CG2-CE1 3.44Å; I51-F90 HydrophobicContact CG2-CZ 4Å; M53-F90 HydrophobicContact CB-CZ 3.85Å; M53-F90 HydrophobicContact CG-CE2 4.37Å; M53-F90 HydrophobicContact CG-CZ 3.75Å; M53-F90 HydrophobicContact SD-CE2 3.94Å; M53-F90 HydrophobicContact SD-CZ 3.94Å; V67-F90 HydrophobicContact CB-CE2 4.23Å; V67-F90 HydrophobicContact CG1-CD2 4.3Å; V67-F90 HydrophobicContact CG1-CE2 4.05Å; V67-F90 HydrophobicContact CG2-CE2 3.87Å; V67-F90 HydrophobicContact CG2-CZ 4.17Å; V88-F90 HydrophobicContact CG2-CD1 4.03Å; V88-F90 HydrophobicContact CG2-CE1 4.34Å; F90-Y92 AromaticContact CD2-CD1 3.85Å; F90-Y92 HydrophobicContact CD2-CD1 3.85Å; F90-Y92 HydrophobicContact CD2-CG 4.41Å; F90-Y92 AromaticContact CE2-CD1 3.62Å; F90-Y92 HydrophobicContact CE2-CD1 3.62Å; F90-Y92 HydrophobicContact CE2-CE1 4.28Å; F90-Y92 HydrophobicContact CE2-CG 4.25Å; F90-R103 CarbonylContact C-O 3.53Å; F90-R103 WeakPolarHBondContact CA-O 3.48Å; F90-R103 VanDerWaalsContact CB-O 3.27Å; F90-R103 WeakPolarHBondContact CB-O 3.31Å; F90-V104 HydrophobicContact CB-CB 4.27Å; F90-V104 HydrophobicContact CB-CG1 4.3Å; F90-V104 HydrophobicContact CB-CG2 3.87Å
91I95.9Very high94.7Very high62 Ų6260.4 Ų60.432%0.31832%0.318SS..EExtended strand (participates in β ladder)trans-104.3132.3169.1-59.7174.6000106.4V32 L33 S101 L102 R103V32-I91 HydrophobicContact CG1-CG2 3.19Å; L33-I91 CarbonylContact O-C 3.56Å; L33-I91 VanDerWaalsContact O-CA 3.27Å; L33-I91 WeakPolarHBondContact O-CA 3.33Å; L33-I91 WeakPolarHBondContact O-CG2 3.35Å; I91-S101 CarbonylContact O-C 3.49Å; I91-S101 WeakPolarHBondContact O-CA 3.32Å; I91-L102 HydrophobicContact CG2-CB 4.32Å; I91-L102 HydrophobicContact CG2-CD1 4.26Å; I91-L102 PolarHBondContact O-N 3.44Å; I91-R103 PolarHBondContact N-O 2.8Å; I91-R103 PolarHBondContact O-N 3.44Å
92Y95.1Very high94.7Very high13 Ų1362.9 Ų62.95%0.05133%0.331CS..EExtended strand (participates in β ladder)trans-132.2162.2-179.969.6-83.8000111.8L33 M53 S56 F90 L99 E100L33-Y92 HydrophobicContact CB-CD1 4.31Å; L33-Y92 HydrophobicContact CB-CE1 3.73Å; L33-Y92 HydrophobicContact CB-CE2 4.06Å; L33-Y92 HydrophobicContact CD1-CE2 4.08Å; L33-Y92 PolarHBondContact N-O 2.9Å; L33-Y92 PolarHBondContact O-N 2.94Å; M53-Y92 HydrophobicContact CE-CE1 4.33Å; M53-Y92 HydrophobicContact CE-CE2 4.47Å; M53-Y92 HydrophobicContact SD-CD1 4.16Å; M53-Y92 HydrophobicContact SD-CE1 3.49Å; M53-Y92 WeakPolarHBondContact SD-CE1 3.19Å; S56-Y92 PolarHBondContact OG-OH 2.86Å; F90-Y92 AromaticContact CD2-CD1 3.85Å; F90-Y92 HydrophobicContact CD2-CD1 3.85Å; F90-Y92 HydrophobicContact CD2-CG 4.41Å; F90-Y92 AromaticContact CE2-CD1 3.62Å; F90-Y92 HydrophobicContact CE2-CD1 3.62Å; F90-Y92 HydrophobicContact CE2-CE1 4.28Å; F90-Y92 HydrophobicContact CE2-CG 4.25Å; Y92-L99 HydrophobicContact CD2-CB 4.3Å; Y92-L99 HydrophobicContact CD2-CD1 4.39Å; Y92-L99 HydrophobicContact CD2-CD2 3.96Å; Y92-L99 HydrophobicContact CD2-CG 4.44Å; Y92-L99 HydrophobicContact CE2-CD1 4.16Å; Y92-L99 HydrophobicContact CE2-CD2 3.91Å; Y92-E100 CarbonylContact C-O 3.54Å; Y92-E100 WeakPolarHBondContact CA-O 3.14Å; Y92-E100 WeakPolarHBondContact CB-O 3.38Å
93K94.2Very high94.7Very high59 Ų5968.2 Ų68.226%0.25735%0.351SS..EExtended strand (participates in β ladder)trans-132.4160173.364168.7178.5179.50110.7Q31 E100 L102Q31-K93 WeakPolarHBondContact O-CA 3.46Å; K93-E100 PolarHBondContact N-O 2.75Å; K93-E100 PolarHBondContact O-N 2.9Å; K93-L102 HydrophobicContact CB-CD1 4.14Å; K93-L102 HydrophobicContact CB-CG 4.41Å; K93-L102 HydrophobicContact CD-CD1 4.35Å; K93-L102 HydrophobicContact CD-CD2 3.79Å; K93-L102 HydrophobicContact CD-CG 4.32Å; K93-L102 HydrophobicContact CG-CD1 4.22Å; K93-L102 HydrophobicContact CG-CD2 3.96Å; K93-L102 HydrophobicContact CG-CG 4.04Å
94K92.3Very high94.8Very high150 Ų15063.7 Ų63.765%0.65233%0.331SS*.EExtended strand (participates in β ladder)trans-78.8122.4168-164.6171.2-174.7173.70109.7
95S90.4Very high94.9Very high38 Ų3857 Ų5727%0.26630%0.3SS..EExtended strand (participates in β ladder)trans-116.6170.8177.8-168.80000110.2K97 G98 E100S95-K97 PolarHBondContact O-N 2.89Å; S95-G98 WeakPolarHBondContact CA-O 3.4Å; S95-G98 WeakPolarHBondContact CB-O 3.43Å; S95-G98 PolarHBondContact N-O 2.86Å; S95-G98 PolarHBondContact O-N 3.29Å; S95-E100 PolarHBondContact OG-OE2 2.78Å
96S90.1Very high94.9Very high126 Ų12654.7 Ų54.788%0.88128%0.276SS*.THydrogen-bonded Turntrans-62.6-23.3177.553.80000113.1
97K89.6Confident94.8Very high205 Ų20557.2 Ų57.289%0.89130%0.295SS*.THydrogen-bonded Turntrans-98.25179.7-62.5-176.5179.31770114.2S95S95-K97 PolarHBondContact O-N 2.89Å
98G92.9Very high94.6Very high37 Ų3756 Ų5638%0.38131%0.309SS..EExtended strand (participates in β ladder)trans115.2-156.7-173.800000112.7S95S95-G98 WeakPolarHBondContact CA-O 3.4Å; S95-G98 WeakPolarHBondContact CB-O 3.43Å; S95-G98 PolarHBondContact N-O 2.86Å; S95-G98 PolarHBondContact O-N 3.29Å
99L95.3Very high94.3Very high38 Ų3857.8 Ų57.820%0.19933%0.327CS..EExtended strand (participates in β ladder)trans-77.6129.5179.6-58.4-179.5000110.2M53 L65 V67 F68 Y92M53-L99 HydrophobicContact CE-CD1 4.05Å; L65-L99 HydrophobicContact CB-CD1 4.14Å; L65-L99 HydrophobicContact CD1-CD1 4.19Å; V67-L99 HydrophobicContact CB-CB 4.41Å; V67-L99 HydrophobicContact CG1-CB 4.32Å; V67-L99 HydrophobicContact CG2-CB 4.01Å; V67-L99 HydrophobicContact CG2-CD1 4.03Å; F68-L99 WeakPolarHBondContact CB-O 3.44Å; F68-L99 PolarHBondContact N-O 3.05Å; Y92-L99 HydrophobicContact CD2-CB 4.3Å; Y92-L99 HydrophobicContact CD2-CD1 4.39Å; Y92-L99 HydrophobicContact CD2-CD2 3.96Å; Y92-L99 HydrophobicContact CD2-CG 4.44Å; Y92-L99 HydrophobicContact CE2-CD1 4.16Å; Y92-L99 HydrophobicContact CE2-CD2 3.91Å
100E96.1Very high94.2Very high46 Ų4655.7 Ų55.722%0.21532%0.324CS..EExtended strand (participates in β ladder)trans-126130.6-178.9173.5-179.9-172.900110.2F68 Y92 K93 S95F68-E100 HydrophobicContact CD1-CG 4.21Å; Y92-E100 CarbonylContact C-O 3.54Å; Y92-E100 WeakPolarHBondContact CA-O 3.14Å; Y92-E100 WeakPolarHBondContact CB-O 3.38Å; K93-E100 PolarHBondContact N-O 2.75Å; K93-E100 PolarHBondContact O-N 2.9Å; S95-E100 PolarHBondContact OG-OE2 2.78Å
101S96.6Very high94.1Very high1 Ų160.1 Ų60.11%0.00735%0.353CS..EExtended strand (participates in β ladder)trans-72.8137.2173.757.80000112.3F68 V69 I91F68-S101 WeakPolarHBondContact O-CB 3.29Å; F68-S101 PolarHBondContact O-N 2.85Å; F68-S101 PolarHBondContact O-OG 2.76Å; V69-S101 VanDerWaalsContact CA-OG 3.26Å; V69-S101 WeakPolarHBondContact CA-OG 3.06Å; V69-S101 WeakPolarHBondContact CB-OG 3.35Å; I91-S101 CarbonylContact O-C 3.49Å; I91-S101 WeakPolarHBondContact O-CA 3.32Å
102L96.1Very high94Very high54 Ų5457.5 Ų57.528%0.28334%0.341SS..EExtended strand (participates in β ladder)trans-97.3-33.8173.6-67.1179.6000111.9V32 K73 I91 K93V32-L102 HydrophobicContact CG1-CD1 4.07Å; V32-L102 HydrophobicContact CG2-CD1 3.94Å; K73-L102 WeakPolarHBondContact CD-O 3.48Å; I91-L102 HydrophobicContact CG2-CB 4.32Å; I91-L102 HydrophobicContact CG2-CD1 4.26Å; I91-L102 PolarHBondContact O-N 3.44Å; K93-L102 HydrophobicContact CB-CD1 4.14Å; K93-L102 HydrophobicContact CB-CG 4.41Å; K93-L102 HydrophobicContact CD-CD1 4.35Å; K93-L102 HydrophobicContact CD-CD2 3.79Å; K93-L102 HydrophobicContact CD-CG 4.32Å; K93-L102 HydrophobicContact CG-CD1 4.22Å; K93-L102 HydrophobicContact CG-CD2 3.96Å; K93-L102 HydrophobicContact CG-CG 4.04Å
103R96.1Very high93.8Very high115 Ų11560.8 Ų60.843%0.43437%0.371SS..EExtended strand (participates in β ladder)trans-155.2136.2179.4-173.2175.6-176.9-94-0.8108.7K73 V75 F90 I91 T105K73-R103 WeakPolarHBondContact O-CA 3.2Å; V75-R103 HydrophobicContact CG2-CG 3.64Å; F90-R103 CarbonylContact C-O 3.53Å; F90-R103 WeakPolarHBondContact CA-O 3.48Å; F90-R103 VanDerWaalsContact CB-O 3.27Å; F90-R103 WeakPolarHBondContact CB-O 3.31Å; I91-R103 PolarHBondContact N-O 2.8Å; I91-R103 PolarHBondContact O-N 3.44Å; R103-T105 VanDerWaalsContact NH1-CG2 3.35Å
104V97.3Very high93.6Very high0 Ų058.5 Ų58.50%036%0.363CS..EExtended strand (participates in β ladder)trans-130.1130178.7-174.50000109.2I51 V69 K73 L74 V75 V88 F90I51-V104 HydrophobicContact CD1-CG1 3.99Å; I51-V104 HydrophobicContact CD1-CG2 4Å; V69-V104 HydrophobicContact CG2-CG2 3.76Å; K73-V104 PolarHBondContact O-N 2.79Å; L74-V104 HydrophobicContact CD2-CB 3.73Å; L74-V104 HydrophobicContact CD2-CG1 3.96Å; L74-V104 HydrophobicContact CD2-CG2 4.13Å; V75-V104 WeakPolarHBondContact CB-O 3.36Å; V75-V104 WeakPolarHBondContact CG2-O 3.34Å; V75-V104 PolarHBondContact N-O 2.93Å; V88-V104 HydrophobicContact CB-CG1 3.91Å; V88-V104 HydrophobicContact CG1-CG1 4.05Å; V88-V104 HydrophobicContact CG2-CG1 4.46Å; F90-V104 HydrophobicContact CB-CB 4.27Å; F90-V104 HydrophobicContact CB-CG1 4.3Å; F90-V104 HydrophobicContact CB-CG2 3.87Å
105T97.2Very high93.4Very high8 Ų852.4 Ų52.45%0.04934%0.34CS..EExtended strand (participates in β ladder)trans-125.9164.8177.244.40000110.1V75 V88 E89 R103 G110V75-T105 HydrophobicContact CB-CG2 3.69Å; V75-T105 HydrophobicContact CG1-CG2 4.08Å; V75-T105 HydrophobicContact CG2-CG2 3.72Å; V88-T105 WeakPolarHBondContact CA-O 3.26Å; E89-T105 PolarHBondContact N-O 3.15Å; E89-T105 PolarHBondContact O-N 2.77Å; E89-T105 VanDerWaalsContact O-O 3.13Å; E89-T105 PolarHBondContact O-OG1 2.97Å; R103-T105 VanDerWaalsContact NH1-CG2 3.35Å; T105-G110 WeakPolarHBondContact CB-O 3.25Å
106G95.8Very high92.9Very high1 Ų157.9 Ų57.91%0.0136%0.361CS..  trans-68.8178.1162.800000111.8G109 G110G106-G109 PolarHBondContact O-N 3.41Å; G106-G110 PolarHBondContact N-O 2.75Å
107P93.1Very high92Very high74 Ų7461.9 Ų61.948%0.48136%0.357SS..G310 helixtrans-58.8139.9176.526.2-34.3000111Q87 G109Q87-P107 WeakPolarHBondContact O-CD 3.49Å; P107-G109 VanDerWaalsContact C-N 3.26Å; P107-G109 PolarHBondContact O-N 3.04Å
108G91.6Very high91Very high73 Ų7360.2 Ų60.275%0.75335%0.345SS*.G310 helixtrans67.922.6-177.500000114.2E89 G110E89-G108 PolarHBondContact OE1-N 2.77Å; E89-G108 PolarHBondContact OE2-N 2.95Å; G108-G110 VanDerWaalsContact C-N 3.27Å; G108-G110 PolarHBondContact O-N 2.84Å
109G92.3Very high89.6Confident38 Ų3860.8 Ų60.839%0.39234%0.342SS..G310 helixtrans74.48.6179.600000115.7E89 G106 P107E89-G109 PolarHBondContact OE2-N 2.72Å; G106-G109 PolarHBondContact O-N 3.41Å; P107-G109 VanDerWaalsContact C-N 3.26Å; P107-G109 PolarHBondContact O-N 3.04Å
110G93.6Very high87.9Confident26 Ų2669 Ų6927%0.26838%0.377SS..  trans-67.3174.2176.800000113.9T105 G106 G108T105-G110 WeakPolarHBondContact CB-O 3.25Å; G106-G110 PolarHBondContact N-O 2.75Å; G108-G110 VanDerWaalsContact C-N 3.27Å; G108-G110 PolarHBondContact O-N 2.84Å
111P94.3Very high85.9Confident98 Ų9869.1 Ų69.164%0.63639%0.39SS*.  trans-67.1147.5173.429.5-33.9000111.2V75V75-P111 VanDerWaalsContact O-CA 3.28Å; V75-P111 WeakPolarHBondContact O-CA 3.46Å
112C94.2Very high84.1Confident8 Ų878.7 Ų78.75%0.05443%0.431CS..  trans-63.3143.3171.6-580000110.8V75 M76 L82 E86V75-C112 PolarHBondContact O-N 2.9Å; V75-C112 VanDerWaalsContact O-N 3.1Å; M76-C112 HydrophobicContact CB-CB 4.47Å; M76-C112 HydrophobicContact SD-CB 4.07Å; L82-C112 HydrophobicContact CD2-CB 3.83Å; E86-C112 WeakPolarHBondContact OE1-CA 3.43Å; E86-C112 WeakPolarHBondContact OE1-CB 3.17Å
113A91.2Very high82.3Confident82 Ų8281.6 Ų81.668%0.67845%0.451SS*.  trans-69-42.4179.100000111.5E86E86-A113 HydrophobicContact CG-CB 4.43Å; E86-A113 PolarHBondContact OE1-N 3.06Å
114G89.7Confident80.2Confident10 Ų1080.6 Ų80.610%0.10346%0.459CS..  trans76.7166.817600000115.3S81 E86S81-G114 WeakPolarHBondContact O-CA 3.05Å; E86-G114 PolarHBondContact OE2-N 3.21Å; E86-G114 VanDerWaalsContact OE2-N 3.12Å
115S87.3Confident78.4Confident23 Ų2388.2 Ų88.216%0.16150%0.499CS..  trans-73.3130.2-173.470.20000112V44 S81 R117V44-S115 WeakPolarHBondContact CG2-OG 3.24Å; S81-S115 WeakPolarHBondContact OG-CB 3.38Å; S81-S115 PolarHBondContact OG-N 3.2Å; S81-S115 PolarHBondContact OG-OG 3.06Å; S115-R117 PolarHBondContact O-N 3.02Å; S115-R117 VanDerWaalsContact O-N 3.15Å; S115-R117 PolarHBondContact OG-O 3.24Å
116E79.7Confident76.7Confident153 Ų15395.1 Ų95.172%0.71554%0.535SS*.SBendtrans-58.6-28.1170.3-69.6148.866.300112.3K83 R118K83-E116 WeakPolarHBondContact CD-OE2 3.48Å; K83-E116 VanDerWaalsContact CE-OE2 3.24Å; K83-E116 WeakPolarHBondContact CE-OE2 3.41Å; K83-E116 IonicContact NZ-OE2 3.95Å; K83-E116 PolarHBondContact NZ-OE2 3.02Å; E116-R118 VanDerWaalsContact C-N 3.26Å; E116-R118 PolarHBondContact O-N 3.15Å
117R73.3Confident74.9Confident210 Ų210103 Ų10379%0.79257%0.569SS**  trans-8273.4171.4-64.1-146.1-98.6-86.86.8110.2S115 P119S115-R117 PolarHBondContact O-N 3.02Å; S115-R117 VanDerWaalsContact O-N 3.15Å; S115-R117 PolarHBondContact OG-O 3.24Å; R117-P119 VanDerWaalsContact O-N 3.12Å
118R68.4Low73Confident170 Ų170110.3 Ų110.364%0.64259%0.587SS**  trans-53.7122.6155-166.7178.8-175109.6-2.2105.3F79 E116 K120F79-R118 HydrophobicContact CD1-CG 4.25Å; F79-R118 HydrophobicContact CG-CG 4.46Å; E116-R118 VanDerWaalsContact C-N 3.26Å; E116-R118 PolarHBondContact O-N 3.15Å; R118-K120 PolarHBondContact O-N 2.94Å
119P62.2Low71.5Confident49 Ų49114.9 Ų114.932%0.31859%0.586SS.*  trans-56.4126172.424.2-22.4000102.4V44 F79 R117 G121V44-P119 VanDerWaalsContact CG1-CD 3.48Å; V44-P119 HydrophobicContact CG1-CG 3.9Å; F79-P119 VanDerWaalsContact CE1-CD 3.46Å; F79-P119 HydrophobicContact CE1-CG 4.22Å; F79-P119 HydrophobicContact CE2-CG 4.02Å; F79-P119 HydrophobicContact CZ-CG 3.6Å; R117-P119 VanDerWaalsContact O-N 3.12Å; P119-G121 PolarHBondContact O-N 2.6Å
120K60.9Low70Confident211 Ų211118 Ų11892%0.91760%0.6SS**  trans-6181.9161-94.1116.7171.5174.60103.3R118 K122R118-K120 PolarHBondContact O-N 2.94Å; K120-K122 PolarHBondContact O-N 3.22Å
121G54.2Low68.6Low48 Ų48127.1 Ų127.150%0.49563%0.632SS.*  trans-46.5133.7158.500000102.2P119 V123P119-G121 PolarHBondContact O-N 2.6Å; G121-V123 PolarHBondContact O-N 2.58Å
122K58.1Low67.2Low202 Ų202124.2 Ų124.288%0.87862%0.62SS**  trans-48.389.2146.6-55.2176.2-172.9-175.60103.5K120 P124K120-K122 PolarHBondContact O-N 3.22Å; K122-P124 WeakPolarHBondContact O-CD 3.37Å
123V58.6Low66.2Low115 Ų115127.6 Ų127.670%0.69764%0.637SS**  trans-39.3122.2143.4-76.50000101.2G121 L125G121-V123 PolarHBondContact O-N 2.58Å; V123-L125 PolarHBondContact O-N 2.97Å
124P51.6Low65.9Low94 Ų94128 Ų12861%0.6162%0.621SS**  trans-40.5127.8164.4-28.836.1000104.6K122 L126K122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-L126 HydrophobicContact CB-CB 4.32Å; P124-L126 HydrophobicContact CB-CD1 3.8Å; P124-L126 HydrophobicContact CB-CG 3.67Å; P124-L126 PolarHBondContact O-N 2.82Å
125L59.3Low65.8Low160 Ų160127.6 Ų127.684%0.83862%0.617SS**  trans-62.538.2173-98.6158.1000109.4V123 K127V123-L125 PolarHBondContact O-N 2.97Å; L125-K127 PolarHBondContact O-N 2.62Å
126L61.8Low65.8Low152 Ų152133.1 Ų133.180%0.79664%0.635SS**SBendtrans-7080161.9-61.6178.5000105.8P124P124-L126 HydrophobicContact CB-CB 4.32Å; P124-L126 HydrophobicContact CB-CD1 3.8Å; P124-L126 HydrophobicContact CB-CG 3.67Å; P124-L126 PolarHBondContact O-N 2.82Å
127K58.3Low66.2Low166 Ų166127 Ų12772%0.72261%0.607SS**  trans63.478.3159.2-119.9105.5171.3-177.90114.1L125 K129L125-K127 PolarHBondContact O-N 2.62Å; K127-K129 HydrophobicContact CG-CB 4.05Å; K127-K129 HydrophobicContact CG-CG 4.05Å; K127-K129 PolarHBondContact O-N 3.09Å
128R52.9Low66.9Low228 Ų228119 Ų11986%0.8658%0.583SS**  -6583.3126.1-70.3-171.182.4135.31.5105.1P130R128-P130 WeakPolarHBondContact O-CD 3.5Å
129K60.3Low67.6Low169 Ų169112 Ų11274%0.73556%0.563SS**  trans-47117.7168.9-143.6163170.6177.40104.1K127 K131K127-K129 HydrophobicContact CG-CB 4.05Å; K127-K129 HydrophobicContact CG-CG 4.05Å; K127-K129 PolarHBondContact O-N 3.09Å; K129-K131 PolarHBondContact O-N 2.84Å; K129-K131 VanDerWaalsContact O-N 3.09Å
130P60.5Low68.7Low105 Ų105110.8 Ų110.868%0.68256%0.56SS**  trans-53.2127.3-179.520.6-30.6000106.6R128 G132R128-P130 WeakPolarHBondContact O-CD 3.5Å; P130-G132 VanDerWaalsContact C-N 3.28Å; P130-G132 PolarHBondContact O-N 3.19Å
131K63.3Low69.9Low217 Ų217106.6 Ų106.694%0.94355%0.547SS*.THydrogen-bonded Turntrans-64.794-176.7-176.9175.11791770107.9K129K129-K131 PolarHBondContact O-N 2.84Å; K129-K131 VanDerWaalsContact O-N 3.09Å
132G64.9Low71.4Confident37 Ų37111.9 Ų111.938%0.38156%0.564SS.*THydrogen-bonded Turntrans79.976.516300000115P130 R134P130-G132 VanDerWaalsContact C-N 3.28Å; P130-G132 PolarHBondContact O-N 3.19Å; G132-R134 PolarHBondContact O-N 3.47Å
133D73.4Confident72.8Confident78 Ų78104.7 Ų104.742%0.41753%0.533SS..  trans-77.669.4144.7-162.26.3000108.7H144D133-H144 VanDerWaalsContact CG-NE2 3.26Å; D133-H144 IonicContact OD1-CD2 3.61Å; D133-H144 PolarHBondContact OD1-CD2 3.19Å; D133-H144 IonicContact OD1-CE1 2.75Å; D133-H144 IonicContact OD1-NE2 2.76Å; D133-H144 PolarHBondContact OD1-NE2 3.25Å; D133-H144 IonicContact OD2-CE1 2.95Å; D133-H144 PolarHBondContact OD2-CE1 2.98Å; D133-H144 IonicContact OD2-ND1 2.94Å; D133-H144 IonicContact OD2-NE2 2.72Å; D133-H144 PolarHBondContact OD2-NE2 3.26Å
134R85.7Confident74.2Confident92 Ų92102.4 Ų102.435%0.34752%0.515SS..  trans-88.8136178.7-78.1-176.6-65.1175.42.5107.8G132 Y136 G139 G140 L141G132-R134 PolarHBondContact O-N 3.47Å; R134-Y136 PolarHBondContact O-N 3Å; R134-Y136 VanDerWaalsContact O-N 3.11Å; R134-G139 WeakPolarHBondContact CG-O 3.16Å; R134-G140 CarbonylContact C-O 3.55Å; R134-G140 WeakPolarHBondContact CA-O 3.13Å; R134-L141 HydrophobicContact CG-CD2 3.48Å; R134-L141 VanDerWaalsContact CG-CD2 3.48Å; R134-L141 HydrophobicContact CG-CG 4.49Å
135C87.5Confident76Confident1 Ų199.9 Ų99.91%0.00750%0.502CS..  trans-46.9120.4169.6176.10000110.6N137 C138 G139 G140 H143 C148C135-N137 PolarHBondContact O-N 2.79Å; C135-N137 VanDerWaalsContact O-N 3.15Å; C135-N137 PolarHBondContact SG-N 3.25Å; C135-N137 VanDerWaalsContact SG-N 3.44Å; C135-C138 PolarHBondContact SG-N 2.82Å; C135-C138 VanDerWaalsContact SG-N 3.43Å; C135-G139 WeakPolarHBondContact O-CA 3.47Å; C135-G139 PolarHBondContact O-N 3.47Å; C135-G140 PolarHBondContact N-O 3.5Å; C135-H143 VanDerWaalsContact CB-O 3.32Å; C135-H143 WeakPolarHBondContact CB-O 3.4Å; C135-H143 VanDerWaalsContact SG-CD2 3.59Å; C135-H143 PolarHBondContact SG-NE2 2.98Å; C135-H143 VanDerWaalsContact SG-NE2 3.41Å; C135-C148 VanDerWaalsContact SG-SG 3.65Å
136Y86.6Confident77.5Confident139 Ų139100 Ų10055%0.54550%0.496SS..THydrogen-bonded Turntrans-66.8-15-179.8-60.2-60.7000113.7R134 H158R134-Y136 PolarHBondContact O-N 3Å; R134-Y136 VanDerWaalsContact O-N 3.11Å; Y136-H158 AromaticContact CD1-CE1 3.29Å; Y136-H158 WeakPolarHBondContact CD1-CE1 3.38Å; Y136-H158 AromaticContact CD1-ND1 3.59Å; Y136-H158 AromaticContact CE1-CE1 3.88Å; Y136-H158 AromaticContact CE1-ND1 3.94Å
137N87.8Confident78.8Confident25 Ų2598.2 Ų98.213%0.13448%0.483CS..THydrogen-bonded Turntrans-87.1-61.7177.4-162.535.9000111.4C135 A145 C148 L150 P151 Q153C135-N137 PolarHBondContact O-N 2.79Å; C135-N137 VanDerWaalsContact O-N 3.15Å; C135-N137 PolarHBondContact SG-N 3.25Å; C135-N137 VanDerWaalsContact SG-N 3.44Å; N137-A145 HydrophobicContact CB-CB 4.23Å; N137-C148 HydrophobicContact CB-CB 4.11Å; N137-L150 PolarHBondContact ND2-O 3.04Å; N137-P151 PolarHBondContact ND2-O 2.77Å; N137-Q153 WeakPolarHBondContact OD1-CB 3.39Å; N137-Q153 PolarHBondContact OD1-N 3.43Å
138C87.8Confident80.4Confident41 Ų4191.2 Ų91.228%0.27746%0.455SS..THydrogen-bonded Turntrans-102.5-24.5-174.673.40000114.2C135 G140 H143 L150 K156C135-C138 PolarHBondContact SG-N 2.82Å; C135-C138 VanDerWaalsContact SG-N 3.43Å; C138-G140 PolarHBondContact SG-N 3.25Å; C138-H143 PolarHBondContact SG-CE1 2.83Å; C138-H143 PolarHBondContact SG-NE2 3.2Å; C138-L150 HydrophobicContact CB-CD1 3.64Å; C138-L150 HydrophobicContact CB-CG 4.49Å; C138-K156 PolarHBondContact O-NZ 3.38Å
139G83.9Confident82.2Confident22 Ų2284.4 Ų84.423%0.22746%0.455CS..  trans912.8-174.400000115.3R134 C135R134-G139 WeakPolarHBondContact CG-O 3.16Å; C135-G139 WeakPolarHBondContact O-CA 3.47Å; C135-G139 PolarHBondContact O-N 3.47Å
140G85.9Confident83.5Confident24 Ų2480.8 Ų80.825%0.24744%0.444CS..  trans-60.6153.717500000112.7R134 C135 C138R134-G140 CarbonylContact C-O 3.55Å; R134-G140 WeakPolarHBondContact CA-O 3.13Å; C135-G140 PolarHBondContact N-O 3.5Å; C138-G140 PolarHBondContact SG-N 3.25Å
141L85.8Confident84.9Confident124 Ų12480 Ų8065%0.64944%0.438SS*.SBendtrans-95.8-11.7-174.5-66.4170.4000113.7R134R134-L141 HydrophobicContact CG-CD2 3.48Å; R134-L141 VanDerWaalsContact CG-CD2 3.48Å; R134-L141 HydrophobicContact CG-CG 4.49Å
142D84.8Confident86.2Confident158 Ų15875.7 Ų75.785%0.84543%0.433SS*.SBendtrans-105.42.6-168.2-53.5-66.8000113.5
143H87.9Confident87.4Confident51 Ų5178.2 Ų78.224%0.23644%0.435CS..  trans-155.5161.1177.962.3-86.8000111.7C135 C138 E147 C148C135-H143 VanDerWaalsContact CB-O 3.32Å; C135-H143 WeakPolarHBondContact CB-O 3.4Å; C135-H143 VanDerWaalsContact SG-CD2 3.59Å; C135-H143 PolarHBondContact SG-NE2 2.98Å; C135-H143 VanDerWaalsContact SG-NE2 3.41Å; C138-H143 PolarHBondContact SG-CE1 2.83Å; C138-H143 PolarHBondContact SG-NE2 3.2Å; H143-E147 HydrophobicContact CB-CB 4.17Å; H143-C148 PolarHBondContact NE2-SG 3.21Å
144H89.3Confident88.1Confident68 Ų6878.5 Ų78.532%0.31544%0.441SS..  trans-92.3163.6169.4-78.492.7000111.5D133 K146 E147 C148D133-H144 VanDerWaalsContact CG-NE2 3.26Å; D133-H144 IonicContact OD1-CD2 3.61Å; D133-H144 PolarHBondContact OD1-CD2 3.19Å; D133-H144 IonicContact OD1-CE1 2.75Å; D133-H144 IonicContact OD1-NE2 2.76Å; D133-H144 PolarHBondContact OD1-NE2 3.25Å; D133-H144 IonicContact OD2-CE1 2.95Å; D133-H144 PolarHBondContact OD2-CE1 2.98Å; D133-H144 IonicContact OD2-ND1 2.94Å; D133-H144 IonicContact OD2-NE2 2.72Å; D133-H144 PolarHBondContact OD2-NE2 3.26Å; H144-K146 HydrophobicContact CB-CG 4.15Å; H144-K146 PolarHBondContact O-N 3.18Å; H144-E147 PolarHBondContact O-N 3.33Å; H144-C148 PolarHBondContact O-N 3.29Å
145A89.1Confident88.1Confident41 Ų4181.7 Ų81.734%0.33946%0.457SS..G310 helixtrans-54.1-28.8179.600000114.2N137 E147 C148N137-A145 HydrophobicContact CB-CB 4.23Å; A145-E147 PolarHBondContact O-N 3.32Å; A145-C148 WeakPolarHBondContact O-CB 3.43Å; A145-C148 PolarHBondContact O-N 3.29Å
146K90.3Very high88.3Confident163 Ų16383.9 Ų83.971%0.70947%0.467SS*.G310 helixtrans-66.7-22.1176.470.7-177.3-161.9-65.80114.5H144H144-K146 HydrophobicContact CB-CG 4.15Å; H144-K146 PolarHBondContact O-N 3.18Å
147E89.4Confident88.4Confident113 Ų11377.3 Ų77.353%0.52844%0.441SS..G310 helixtrans-111.67.4-179.5-71.9146.3-131.900111.3H143 H144 A145 G149H143-E147 HydrophobicContact CB-CB 4.17Å; H144-E147 PolarHBondContact O-N 3.33Å; A145-E147 PolarHBondContact O-N 3.32Å; E147-G149 PolarHBondContact O-N 3.02Å
148C90.4Very high88.3Confident20 Ų2080.5 Ų80.514%0.13546%0.455CS..  trans-76.8116.7-177.9-1670000110.1C135 N137 H143 H144 A145 L150C135-C148 VanDerWaalsContact SG-SG 3.65Å; N137-C148 HydrophobicContact CB-CB 4.11Å; H143-C148 PolarHBondContact NE2-SG 3.21Å; H144-C148 PolarHBondContact O-N 3.29Å; A145-C148 WeakPolarHBondContact O-CB 3.43Å; A145-C148 PolarHBondContact O-N 3.29Å; C148-L150 PolarHBondContact O-N 3.01Å
149G91.2Very high88.1Confident84 Ų8484.2 Ų84.287%0.86646%0.464SS*.  trans-72.3-5.1176.900000114.9E147E147-G149 PolarHBondContact O-N 3.02Å
150L88.4Confident88.3Confident94 Ų9485.1 Ų85.149%0.49247%0.466SS..SBendtrans-79.8144.4172.7-63.3-172.2000110.3N137 C138 C148N137-L150 PolarHBondContact ND2-O 3.04Å; C138-L150 HydrophobicContact CB-CD1 3.64Å; C138-L150 HydrophobicContact CB-CG 4.49Å; C148-L150 PolarHBondContact O-N 3.01Å
151P89.7Confident88.3Confident87 Ų8789 Ų8957%0.56548%0.478SS*.  trans-57.4154.9171.625.8-33.3000110.2N137 Q153N137-P151 PolarHBondContact ND2-O 2.77Å; P151-Q153 WeakPolarHBondContact O-CG 3.32Å; P151-Q153 PolarHBondContact O-N 3.41Å; P151-Q153 PolarHBondContact O-NE2 3.44Å
152P90.8Very high88.5Confident127 Ų12784.7 Ų84.783%0.82546%0.458SS*.  trans-52.6115.1179.1-26.734.8000111.8
153Q88.9Confident88.7Confident90 Ų9082.9 Ų82.942%0.42145%0.447SS..PPolyproline II helixtrans-87.6153.7178.9-63.3-56.6-57.300110.2N137 P151 K155N137-Q153 WeakPolarHBondContact OD1-CB 3.39Å; N137-Q153 PolarHBondContact OD1-N 3.43Å; P151-Q153 WeakPolarHBondContact O-CG 3.32Å; P151-Q153 PolarHBondContact O-N 3.41Å; P151-Q153 PolarHBondContact O-NE2 3.44Å; Q153-K155 PolarHBondContact O-N 2.95Å
154P88.5Confident88.9Confident84 Ų8486.5 Ų86.555%0.54547%0.473SS..PPolyproline II helixtrans-56.9136.7173.824-33.7000110.6K156 I163P154-K156 PolarHBondContact O-N 2.94Å; P154-I163 HydrophobicContact CG-CG2 4.39Å
155K86.7Confident88.9Confident160 Ų16084.9 Ų84.970%0.69647%0.465SS*.PPolyproline II helixtrans-62.7127.9-177.5-66.6-174.4-179.2175.10109.8Q153Q153-K155 PolarHBondContact O-N 2.95Å
156K90.6Very high88.9Confident47 Ų4787.6 Ų87.620%0.20447%0.472CS..PPolyproline II helixtrans-103.5149.7176.861.2-172.5172.8-169.40111.7C138 P154 H158 Q161 S162 I163C138-K156 PolarHBondContact O-NZ 3.38Å; P154-K156 PolarHBondContact O-N 2.94Å; K156-H158 PolarHBondContact O-N 2.86Å; K156-Q161 HydrophobicContact CD-CB 4.38Å; K156-S162 CarbonylContact C-O 3.58Å; K156-S162 VanDerWaalsContact CA-O 3.27Å; K156-S162 WeakPolarHBondContact CA-O 3.29Å; K156-I163 HydrophobicContact CB-CG2 4.44Å
157C88.4Confident88.9Confident0 Ų082.3 Ų82.30%045%0.453CS..PPolyproline II helixtrans-54.5121.9168.11780000110.3Y159 C160 Q161 S162 H165C157-Y159 PolarHBondContact O-N 3.15Å; C157-Y159 VanDerWaalsContact O-N 3.12Å; C157-Y159 PolarHBondContact SG-N 3.11Å; C157-Y159 VanDerWaalsContact SG-N 3.43Å; C157-C160 VanDerWaalsContact SG-SG 3.65Å; C157-Q161 WeakPolarHBondContact O-CA 3.37Å; C157-Q161 PolarHBondContact O-N 3.16Å; C157-S162 PolarHBondContact N-O 3.43Å; C157-H165 WeakPolarHBondContact CB-O 3.27Å
158H86Confident88.9Confident92 Ų9281.3 Ų81.343%0.42647%0.465SS..THydrogen-bonded Turntrans-67.9-12.9179.5-58.9-73.6000113.8Y136 K156Y136-H158 AromaticContact CD1-CE1 3.29Å; Y136-H158 WeakPolarHBondContact CD1-CE1 3.38Å; Y136-H158 AromaticContact CD1-ND1 3.59Å; Y136-H158 AromaticContact CE1-CE1 3.88Å; Y136-H158 AromaticContact CE1-ND1 3.94Å; K156-H158 PolarHBondContact O-N 2.86Å
159Y84.3Confident88.9Confident119 Ų11987.2 Ų87.247%0.46749%0.491SS..THydrogen-bonded Turntrans-88.2-63.9177.7-170.2-92.8000111.8C157 H172C157-Y159 PolarHBondContact O-N 3.15Å; C157-Y159 VanDerWaalsContact O-N 3.12Å; C157-Y159 PolarHBondContact SG-N 3.11Å; C157-Y159 VanDerWaalsContact SG-N 3.43Å; Y159-H172 HydrophobicContact CD1-CB 3.89Å; Y159-H172 HydrophobicContact CE1-CB 3.61Å; Y159-H172 WeakPolarHBondContact CE1-O 3.31Å
160C87.6Confident88.8Confident41 Ų4183.5 Ų83.528%0.27745%0.451SS..THydrogen-bonded Turntrans-104-1.3-175.568.50000115C157 S162 H165 C170C157-C160 VanDerWaalsContact SG-SG 3.65Å; C160-S162 PolarHBondContact O-N 2.78Å; C160-H165 VanDerWaalsContact SG-CE1 3.59Å; C160-H165 PolarHBondContact SG-NE2 3.29Å; C160-C170 PolarHBondContact SG-SG 3.22Å
161Q86.5Confident88.8Confident107 Ų10783 Ų8350%0.545%0.454SS..  trans66.811.4-179.9-57.31577200115.5K156 C157K156-Q161 HydrophobicContact CD-CB 4.38Å; C157-Q161 WeakPolarHBondContact O-CA 3.37Å; C157-Q161 PolarHBondContact O-N 3.16Å
162S89.8Confident88.5Confident33 Ų3384.3 Ų84.323%0.23145%0.452CS..  trans-63.4140.9171.31790000111.9K156 C157 C160 T164 H165K156-S162 CarbonylContact C-O 3.58Å; K156-S162 VanDerWaalsContact CA-O 3.27Å; K156-S162 WeakPolarHBondContact CA-O 3.29Å; C157-S162 PolarHBondContact N-O 3.43Å; C160-S162 PolarHBondContact O-N 2.78Å; S162-T164 PolarHBondContact OG-N 3.12Å; S162-T164 VanDerWaalsContact OG-N 3.16Å; S162-H165 WeakPolarHBondContact CB-CE1 3.47Å; S162-H165 PolarHBondContact OG-CE1 3.46Å; S162-H165 PolarHBondContact OG-ND1 3.33Å
163I88.4Confident88Confident119 Ų11984 Ų8461%0.6144%0.438SS*.SBendtrans-87-10.5172.759.6169.3000113.2P154 K156P154-I163 HydrophobicContact CG-CG2 4.39Å; K156-I163 HydrophobicContact CB-CG2 4.44Å
164T92.7Very high87Confident128 Ų12884.2 Ų84.279%0.78545%0.454SS*.SBendtrans-84.6-24.5-172.2-42.90000112.5S162S162-T164 PolarHBondContact OG-N 3.12Å; S162-T164 VanDerWaalsContact OG-N 3.16Å
165H89Confident85.8Confident33 Ų3387.8 Ų87.815%0.15347%0.468CS..SBendtrans-142.2157.1-178.562.1-94.6000111.2C157 C160 S162 Q169 C170C157-H165 WeakPolarHBondContact CB-O 3.27Å; C160-H165 VanDerWaalsContact SG-CE1 3.59Å; C160-H165 PolarHBondContact SG-NE2 3.29Å; S162-H165 WeakPolarHBondContact CB-CE1 3.47Å; S162-H165 PolarHBondContact OG-CE1 3.46Å; S162-H165 PolarHBondContact OG-ND1 3.33Å; H165-Q169 HydrophobicContact CB-CB 4.25Å; H165-C170 VanDerWaalsContact CD2-CA 3.4Å; H165-C170 WeakPolarHBondContact CD2-CA 3.4Å; H165-C170 WeakPolarHBondContact NE2-CA 3.47Å; H165-C170 PolarHBondContact NE2-SG 3.4Å
166M90.3Very high84.4Confident99 Ų9982.6 Ų82.649%0.48846%0.455SS..  trans-90.1166.6170.7-67-17268.800111.1A168 Q169 C170M166-A168 PolarHBondContact O-N 3.4Å; M166-Q169 CarbonylContact O-C 3.58Å; M166-Q169 PolarHBondContact O-N 3.33Å; M166-C170 PolarHBondContact O-N 2.9Å
167V90.1Very high82.4Confident51 Ų5186.3 Ų86.331%0.30948%0.484SS..G310 helixtrans-54.3-27.9-177.766.50000114.1Q169 C170 K173V167-Q169 PolarHBondContact O-N 3.36Å; V167-C170 PolarHBondContact O-N 3.03Å; V167-K173 HydrophobicContact CG2-CD 3.91Å
168A88.8Confident80.2Confident93 Ų9391.3 Ų91.377%0.76953%0.525SS*.G310 helixtrans-64.7-26.9176.600000113.5M166M166-A168 PolarHBondContact O-N 3.4Å
169Q89.6Confident78.4Confident144 Ų14491.9 Ų91.967%0.67355%0.546SS*.G310 helixtrans-116.119.9-177.6-66.2147.8-11.800111H165 M166 V167 P171H165-Q169 HydrophobicContact CB-CB 4.25Å; M166-Q169 CarbonylContact O-C 3.58Å; M166-Q169 PolarHBondContact O-N 3.33Å; V167-Q169 PolarHBondContact O-N 3.36Å; Q169-P171 VanDerWaalsContact O-CD 3.24Å; Q169-P171 WeakPolarHBondContact O-CD 3.24Å
170C90.2Very high76.6Confident6 Ų689.4 Ų89.44%0.04156%0.556CS.*  trans-74.5114.5-176.5-172.40000110.8C160 H165 M166 V167 H172 K173C160-C170 PolarHBondContact SG-SG 3.22Å; H165-C170 VanDerWaalsContact CD2-CA 3.4Å; H165-C170 WeakPolarHBondContact CD2-CA 3.4Å; H165-C170 WeakPolarHBondContact NE2-CA 3.47Å; H165-C170 PolarHBondContact NE2-SG 3.4Å; M166-C170 PolarHBondContact O-N 2.9Å; V167-C170 PolarHBondContact O-N 3.03Å; C170-H172 PolarHBondContact O-N 2.96Å; C170-K173 HydrophobicContact CB-CB 3.96Å; C170-K173 WeakPolarHBondContact O-CB 3.49Å; C170-K173 PolarHBondContact O-N 3.41Å
171P88.3Confident74.8Confident84 Ų8493.2 Ų93.255%0.54558%0.583SS.*Hα-helixtrans-63.4-26.7-179.426.7-33.9000111.5Q169 K173Q169-P171 VanDerWaalsContact O-CD 3.24Å; Q169-P171 WeakPolarHBondContact O-CD 3.24Å; P171-K173 VanDerWaalsContact C-N 3.34Å; P171-K173 PolarHBondContact O-N 2.73Å
172H83.8Confident72.7Confident113 Ų11397.6 Ų97.652%0.52360%0.604SS.*Hα-helixtrans-76.1-18.3176.6-58-82.1000113.7Y159 C170Y159-H172 HydrophobicContact CD1-CB 3.89Å; Y159-H172 HydrophobicContact CE1-CB 3.61Å; Y159-H172 WeakPolarHBondContact CE1-O 3.31Å; C170-H172 PolarHBondContact O-N 2.96Å
173K79.3Confident70.3Confident122 Ų122102.2 Ų102.253%0.5363%0.626SS.*Hα-helixtrans-79.4-28.8178.2-176.9171.6178.2-81.30112.1V167 C170 P171 L175V167-K173 HydrophobicContact CG2-CD 3.91Å; C170-K173 HydrophobicContact CB-CB 3.96Å; C170-K173 WeakPolarHBondContact O-CB 3.49Å; C170-K173 PolarHBondContact O-N 3.41Å; P171-K173 VanDerWaalsContact C-N 3.34Å; P171-K173 PolarHBondContact O-N 2.73Å; K173-L175 VanDerWaalsContact C-N 3.34Å
174A67.4Low68.6Low93 Ų93103.4 Ų103.477%0.76963%0.629SS**Hα-helixtrans-76.9-18.4-179.800000113.8
175L65.2Low66.4Low160 Ų160105.2 Ų105.284%0.83863%0.629SS**THydrogen-bonded Turntrans-98.76.3-177.2-145.774.9000113.9K173K173-L175 VanDerWaalsContact C-N 3.34Å
176A57.3Low64Low50 Ų50107.6 Ų107.641%0.41365%0.654SS.*SBendtrans-78.2133.2173.900000109.9A178A176-A178 PolarHBondContact O-N 2.9Å
177P47.1Very low61.6Low126 Ų126108.1 Ų108.182%0.81867%0.667SS**  trans-62.4122.8177.724.7-32000109.6A179P177-A179 PolarHBondContact O-N 3.36Å
178A43.7Very low59.4Low104 Ų104112 Ų11286%0.8669%0.691SS**  trans-67.598.4179.900000110.2A176 G180A176-A178 PolarHBondContact O-N 2.9Å; A178-G180 PolarHBondContact O-N 3.01Å
179A46.7Very low57.1Low104 Ų104113.5 Ų113.586%0.8670%0.696SS**  trans-81.293.2163.400000109.2P177P177-A179 PolarHBondContact O-N 3.36Å
180G46.3Very low54.8Low67 Ų67111.1 Ų111.169%0.69170%0.701SS**  trans66.5111.2147.200000119.7A178A178-G180 PolarHBondContact O-N 3.01Å
181S50.1Low52.2Low121 Ų121116.8 Ų116.885%0.84674%0.741SS**  170.2114.3124.3-99.30000110.1
182Q41.9Very low49.9Very low199 Ų199117.2 Ų117.293%0.9375%0.752SS**  trans-170.7116.7133.8-102.9161.1-1.200110.8
183D40.5Very low48.4Very low131 Ų131117.9 Ų117.970%0.70177%0.766SS**  trans-98149.1165.5177.3-131.2000107.4
184Q51.9Low46.3Very low143 Ų143115.3 Ų115.367%0.66877%0.774SS**  trans77138.7167.4-39.2-169.457.900117
185Q46.9Very low44.8Very low167 Ų167118 Ų11878%0.7878%0.782SS**  cis-167.9140.226.6-141157.7-15.300112.7
186A38.3Very low43.3Very low83 Ų83113.7 Ų113.769%0.68678%0.775SS**  trans43.5133.113500000123.8
187S40.3Very low43.6Very low109 Ų109117.3 Ų117.376%0.76280%0.795SS**  -176.7108115.5120000109.7
188T44.8Very low42.9Very low132 Ų132119.4 Ų119.481%0.8179%0.793SS**  64.1112.890.263.10000117
189S39.1Very low42.5Very low126 Ų126121.2 Ų121.288%0.88179%0.788SS**  -171.2129.212353.30000111.3
190A41.7Very low41.6Very low93 Ų93122.1 Ų122.177%0.76979%0.786SS**  trans-77.4162.5-177.700000113.6
191S35.9Very low40.9Very low125 Ų125126.9 Ų126.987%0.87480%0.795SS**  168.8126.6118.7-67.30000112
192A39.4Very low41.1Very low94 Ų94125.2 Ų125.278%0.77778%0.781SS**  trans-104.9174.5157.400000107.5
193P52.4Low40.8Very low126 Ų126123.4 Ų123.482%0.81877%0.773SS**  cis-136.8160.734.931.8-7.6000115.2
194G35.5Very low40.5Very low69 Ų69124.5 Ų124.571%0.71177%0.774SS**  81.3110.796.100000112.9
195T35.5Very low39.7Very low150 Ų150127 Ų12792%0.9279%0.785SS**  -176.2135.9101-530000108.7
196G34.4Very low39.2Very low68 Ų68126 Ų12670%0.70178%0.781SS**  trans-81.8-149.9-178.400000114.5
197P62.2Low39.2Very low127 Ų127131.5 Ų131.583%0.82578%0.784SS**  cis-134.4-170.1-9.639.7-20.7000113.3
198H33.3Very low38.9Very low170 Ų170131.9 Ų131.979%0.78779%0.786SS**  trans128.3141.4140.5-149.4-99.3000117.7
199L36.3Very low38.3Very low142 Ų142128.7 Ų128.774%0.74378%0.779SS**  trans-75.2156.3-164.8-58.9156.6000114.3
200C27.6Very low38.3Very low123 Ų123128.7 Ų128.783%0.83178%0.78SS**  155.9135.3121.5-82.40000114
201L30.4Very low38.3Very low166 Ų166129.6 Ų129.687%0.86978%0.78SS**  trans-62.9-173.7163.8-75.8141.8000112.4
202P54.8Low39Very low87 Ų87128.7 Ų128.757%0.56577%0.772SS**  -130.4-175.5-55.637.8-21.2000111.3
203E35.2Very low39Very low161 Ų161130.9 Ų130.975%0.75277%0.77SS**  trans58.5133.4147.4-80.6162.4107.500117.7
204E34.4Very low38.2Very low154 Ų154133.2 Ų133.272%0.7277%0.77SS**  -167.9164.854.5-65.3-82.846.200108.8
205E34.3Very low38.1Very low195 Ų195132.9 Ų132.991%0.91177%0.766SS**  trans116.5126.7135.8-147.814989.500117.4
206E36.6Very low37.9Very low145 Ų145131.7 Ų131.768%0.67876%0.764SS**  trans-113.9155.6-152.6-144.7-87.297.500108.7
207R38.4Very low37.9Very low200 Ų200133.7 Ų133.776%0.75577%0.767SS**  trans69.9114.9152.4-124.8161.4100.2-130.55.2119.4
208S34.3Very low36.7Very low116 Ų116133.3 Ų133.381%0.81177%0.767SS**  165.8125.3118-72.50000105.7
209G33.3Very low37.1Very low65 Ų65130.8 Ų130.867%0.6777%0.769SS**  cis118.4139.147.800000107.4
210S37.3Very low38.4Very low127 Ų127129.4 Ų129.489%0.88877%0.768SS**  trans77.1116.9166.3530000120.7
211S42.1Very low38.8Very low112 Ų112132.6 Ų132.678%0.78377%0.771SS**  trans-53.1164.6159.9-46.50000113
212P51.5Low39.3Very low106 Ų106133.1 Ų133.169%0.68877%0.769SS**  -150.9136104.625.4-1.9000117.2
213L39.1Very low39.5Very low140 Ų140132.9 Ų132.973%0.73377%0.767SS**  trans45.1149.1131.962.7117000126.1
214E36.4Very low39.4Very low175 Ų175132.8 Ų132.882%0.81877%0.767SS**  trans66.2145.6161.8-36.4-63.474.700118.6
215G31.8Very low39.7Very low62 Ų62131.3 Ų131.364%0.63977%0.768SS**  cis-173.31425.400000107.1
216S33.1Very low40Very low124 Ų124130 Ų13087%0.86776%0.762SS**  85.6134.198-67.70000117
217S34.4Very low40Very low111 Ų111132.8 Ų132.878%0.77677%0.766SS**  trans75.3109.7159-74.70000118.4
218S36.3Very low40Very low119 Ų119128 Ų12883%0.83276%0.763SS**  85.112271.3-70.30000113.5
219S42.2Very low40.2Very low116 Ų116127.9 Ų127.981%0.81176%0.762SS**  trans-39.9-170.6168.7-49.80000117.2
220P62.3Low40.6Very low113 Ų113135.1 Ų135.173%0.73477%0.77SS**  cis-129.6-176.3-16.321.33.9000112.3
221E35.9Very low41.1Very low191 Ų191135.8 Ų135.889%0.89376%0.762SS**  164.2136.5121.9-83.3-167.698.300112.8
222E41.1Very low41.2Very low176 Ų176138.7 Ų138.782%0.82276%0.763SS**  trans-84.6-158.5173.5-77.9-95.9102.100110
223P59.5Low41Very low82 Ų82144.2 Ų144.253%0.53277%0.77SS.*  -125-170.3-60.829-10.9000111.3
224H33.4Very low41Very low159 Ų159149.7 Ų149.774%0.73678%0.781SS**  trans137.2114.2137.5-72-73.1000116.6
225T40.5Very low41.7Very low123 Ų123151.7 Ų151.776%0.75578%0.781SS**  53.3119.1129.6690000121.5
226H40.4Very low42.5Very low169 Ų169158.1 Ų158.178%0.78279%0.792SS**  trans-165.9104.5130.5-154.3-108000109.6
227R37.5Very low43.7Very low203 Ų203161.2 Ų161.277%0.76681%0.813SS**  59.699.788-163.2168.5-173-116.83.6115.5
228S36.6Very low44.1Very low99 Ų99163.7 Ų163.769%0.69282%0.815SS**  57.1131.6125.8-53.50000123.9
229S39.3Very low44.5Very low113 Ų113166.1 Ų166.179%0.7981%0.814SS**  trans84.9122.3134-640000119.8
230R42.4Very low44.7Very low218 Ų218168.8 Ų168.882%0.82381%0.814SS**  163.9101.9115.7-173.7172-67.2-115.70.9109.9
231I47.7Very low43.6Very low140 Ų140172.1 Ų172.172%0.71882%0.819SS**  44.4119.2106.5-51.5170000115
232Q43.6Very low44.1Very low174 Ų174170.9 Ų170.981%0.81381%0.814SS**  177.2104.8130-94.4167.257.600107.2
233R46.9Very low44.3Very low222 Ų222170.6 Ų170.684%0.83881%0.813SS**  56.1101.674.9-156.8-172.4-76.5-176.1-1.6112.7
234W38.9Very low43.2Very low255 Ų255176.9 Ų176.997%0.96683%0.834SS**  trans-129.6126.5157.1-132.2-49.4000110.2
235R51.6Low44Very low217 Ų217178.3 Ų178.382%0.81984%0.841SS**  trans-97.8158.8169.8-81-175.5165.9-137.40.5109.8
236K49.4Very low44.3Very low197 Ų197182.9 Ų182.986%0.85785%0.848SS**  trans135.8141.7142.4-82.6160.2161.6-179.20109.1
237S57.1Low44.6Very low188 Ų188184.2 Ų184.2100%1.31585%0.854SS**  cis-164.90-10.2-121.60000105.5

Retrieved 237 of 237 residues in 48.9 ms (Link to these results)