A0A087WQ19_MOUSE Loading...

Predicted gene 28171

AlphaFold DB , UniProt , Accession A0A087WQ19, Species MOUSE (Mus musculus, Mouse), Gene Gm28171, Length 227 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
1M39.6Very low33.6Very low246 Ų246184.8 Ų184.8100%1.21288%0.876SS**  097.60-77.9-177.6162.300108.2
2T35Very low33.6Very low138 Ų138179.6 Ų179.685%0.84787%0.869SS**  trans-130.1114-173.230.80000106.1
3S35.9Very low33.6Very low102 Ų102172.8 Ų172.871%0.71385%0.852SS**  102.514074.6-167.70000110.8
4L28.3Very low34Very low161 Ų161168.4 Ų168.484%0.84385%0.846SS**  trans80.190.5167.5-55.9165.1000118.4
5K33.3Very low34.5Very low207 Ų207166.9 Ų166.990%0.984%0.835SS**  trans-105.697.9144.8-78.6-167.5179.6177.60109.7K7K5-K7 PolarHBondContact O-N 3.2Å
6K31.1Very low34.8Very low211 Ų211162 Ų16292%0.91783%0.829SS**  trans-78.592.9164.5-158.1175.6-170.5174.80107.6
7K33.7Very low35.8Very low196 Ų196161.9 Ų161.985%0.85283%0.83SS**  trans-133.688.6173.8-122.6-172.5-175.2-175.60110.8K5K5-K7 PolarHBondContact O-N 3.2Å
8S34.3Very low37.2Very low103 Ų103155.3 Ų155.372%0.7281%0.808SS**  trans-166.893.9133.8-170.90000107.9R10S8-R10 VanDerWaalsContact C-N 3.3Å; S8-R10 PolarHBondContact O-N 2.85Å; S8-R10 VanDerWaalsContact O-N 3.09Å
9R36Very low39.6Very low249 Ų249153.2 Ų153.294%0.9480%0.798SS**  trans-61.8107.3148.4-108.2178.5177.5159.9-0.9103.3K11R9-K11 PolarHBondContact O-N 3.09Å
10R30Very low42.2Very low230 Ų230146.5 Ų146.587%0.86876%0.763SS**  trans-44.8109.2163.6-80.1-179.5173.9175.8-2.5105.8S8S8-R10 VanDerWaalsContact C-N 3.3Å; S8-R10 PolarHBondContact O-N 2.85Å; S8-R10 VanDerWaalsContact O-N 3.09Å
11K32.9Very low44.4Very low190 Ų190140.5 Ų140.583%0.82673%0.733SS**  trans-46.5131.7153-95.8177.4171.3179.20104.2R9 S13R9-K11 PolarHBondContact O-N 3.09Å; K11-S13 PolarHBondContact O-N 2.75Å
12P33.1Very low46.7Very low122 Ų122129 Ų12979%0.79268%0.678SS**  trans-54.7107.6162.9-821.7000103.5S14P12-S14 PolarHBondContact O-N 2.79Å; P12-S14 VanDerWaalsContact O-N 3.16Å
13S33.6Very low49.4Very low92 Ų92123 Ų12364%0.64364%0.64SS**  trans-44.7127.9163.445.30000104.4K11 Q15K11-S13 PolarHBondContact O-N 2.75Å; S13-Q15 VanDerWaalsContact C-N 3.35Å; S13-Q15 PolarHBondContact O-N 2.77Å
14S39.8Very low52.2Low111 Ų111120.8 Ų120.878%0.77662%0.617SS**  trans-23.6105.9159.846.80000106.7P12 A16P12-S14 PolarHBondContact O-N 2.79Å; P12-S14 VanDerWaalsContact O-N 3.16Å; S14-A16 VanDerWaalsContact C-N 3.35Å; S14-A16 PolarHBondContact O-N 3.16Å
15Q40.6Very low55.3Low145 Ų145113.2 Ų113.268%0.67858%0.577SS**  trans-45.2114-179.4-96.1167.1-37.900103.5S13 L17S13-Q15 VanDerWaalsContact C-N 3.35Å; S13-Q15 PolarHBondContact O-N 2.77Å; Q15-L17 PolarHBondContact O-N 2.5Å
16A38.8Very low58.4Low89 Ų89104.5 Ų104.574%0.73654%0.542SS*.  trans-39.2125.1169.100000104.4S14 G18S14-A16 VanDerWaalsContact C-N 3.35Å; S14-A16 PolarHBondContact O-N 3.16Å; A16-G18 WeakPolarHBondContact O-CA 3.33Å; A16-G18 PolarHBondContact O-N 3.04Å
17L52.2Low61.6Low161 Ų16194.7 Ų94.784%0.84350%0.5SS*.  trans-50.773-175.4-95.7114000109.5Q15Q15-L17 PolarHBondContact O-N 2.5Å
18G61.3Low64.7Low43 Ų4385.5 Ų85.544%0.44346%0.461SS..  trans-87145.9-17300000104.3A16 I20A16-G18 WeakPolarHBondContact O-CA 3.33Å; A16-G18 PolarHBondContact O-N 3.04Å; G18-I20 VanDerWaalsContact O-CG2 3.23Å; G18-I20 WeakPolarHBondContact O-CG2 3.23Å; G18-I20 PolarHBondContact O-N 3.39Å
19N83.6Confident67.7Low115 Ų11582 Ų8262%0.61543%0.432SS*.  trans-48.9106.6-179.9-173.90000110.1V21N19-V21 VanDerWaalsContact C-N 3.27Å; N19-V21 WeakPolarHBondContact OD1-CB 3.18Å; N19-V21 WeakPolarHBondContact OD1-CG2 3.1Å; N19-V21 PolarHBondContact OD1-N 3.15Å
20I90.2Very high70.6Confident19 Ų1974.8 Ų74.810%0.09741%0.407CS..  trans-86.4-3.1-179.260.3176000111.4G18 G22 C23 I43 Y54 L69 V80G18-I20 VanDerWaalsContact O-CG2 3.23Å; G18-I20 WeakPolarHBondContact O-CG2 3.23Å; G18-I20 PolarHBondContact O-N 3.39Å; I20-G22 PolarHBondContact O-N 3.14Å; I20-C23 WeakPolarHBondContact O-CB 3.16Å; I20-C23 PolarHBondContact O-N 2.79Å; I20-I43 HydrophobicContact CB-CD1 3.89Å; I20-I43 HydrophobicContact CD1-CD1 3.33Å; I20-I43 HydrophobicContact CG1-CD1 3.47Å; I20-I43 VanDerWaalsContact CG1-CD1 3.47Å; I20-Y54 HydrophobicContact CD1-CD1 4.33Å; I20-Y54 HydrophobicContact CD1-CE1 3.71Å; I20-Y54 HydrophobicContact CD1-CE2 4.21Å; I20-Y54 HydrophobicContact CG1-CD1 4.26Å; I20-Y54 HydrophobicContact CG1-CE1 3.54Å; I20-L69 HydrophobicContact CD1-CD1 4.24Å; I20-V80 HydrophobicContact CG2-CG2 3.86Å
21V89.3Confident73.6Confident21 Ų2167.6 Ų67.613%0.12738%0.383CS..THydrogen-bonded Turntrans-60134.8172.7179.30000109.7N19 C23 I43 Q46 F128N19-V21 VanDerWaalsContact C-N 3.27Å; N19-V21 WeakPolarHBondContact OD1-CB 3.18Å; N19-V21 WeakPolarHBondContact OD1-CG2 3.1Å; N19-V21 PolarHBondContact OD1-N 3.15Å; V21-C23 PolarHBondContact O-N 3.43Å; V21-I43 HydrophobicContact CB-CG2 4.43Å; V21-I43 HydrophobicContact CG2-CG2 4.1Å; V21-Q46 HydrophobicContact CG2-CB 3.86Å; V21-F128 HydrophobicContact CG1-CD2 4.21Å; V21-F128 HydrophobicContact CG1-CE2 3.21Å; V21-F128 HydrophobicContact CG1-CZ 3.6Å
22G88.4Confident76.5Confident5 Ų561.2 Ų61.25%0.05237%0.371CS..THydrogen-bonded Turntrans80.5-4.8-173.100000114.6I20 I43 V85I20-G22 PolarHBondContact O-N 3.14Å; G22-I43 WeakPolarHBondContact CA-O 3.45Å; G22-I43 PolarHBondContact N-O 2.96Å; G22-V85 PolarHBondContact O-N 3.05Å
23C91.1Very high79.4Confident10 Ų1063.9 Ų63.97%0.06838%0.377CS..EExtended strand (participates in β ladder)trans-84.7149.8175-62.70000111.6I20 V21 I43 V80I20-C23 WeakPolarHBondContact O-CB 3.16Å; I20-C23 PolarHBondContact O-N 2.79Å; V21-C23 PolarHBondContact O-N 3.43Å; C23-I43 PolarHBondContact O-N 3.43Å; C23-I43 VanDerWaalsContact O-N 3.07Å; C23-V80 HydrophobicContact CB-CG1 3.7Å
24R93.5Very high82.3Confident57 Ų5766.1 Ų66.122%0.21538%0.375CS..EExtended strand (participates in β ladder)trans-76.8144.2163.4-71.6-102.3-68.8152.6-6109.8A41 D59 L81 H83 V85R24-A41 CarbonylContact C-O 3.6Å; R24-A41 VanDerWaalsContact CA-O 3.31Å; R24-A41 WeakPolarHBondContact CA-O 3.48Å; R24-D59 IonicContact CZ-OD2 3.74Å; R24-D59 VanDerWaalsContact NH1-CG 3.29Å; R24-D59 IonicContact NH1-OD1 3.42Å; R24-D59 PolarHBondContact NH1-OD1 3.48Å; R24-D59 IonicContact NH1-OD2 2.74Å; R24-D59 PolarHBondContact NH1-OD2 2.92Å; R24-D59 IonicContact NH2-OD2 3.83Å; R24-L81 HydrophobicContact CB-CB 3.9Å; R24-L81 HydrophobicContact CB-CD1 4.14Å; R24-L81 HydrophobicContact CB-CG 4.44Å; R24-L81 WeakPolarHBondContact O-CB 3.28Å; R24-L81 PolarHBondContact O-N 2.95Å; R24-H83 WeakPolarHBondContact CG-O 3.05Å; R24-H83 PolarHBondContact N-O 2.77Å; R24-V85 HydrophobicContact CG-CG2 4.03Å
25I95.5Very high85Confident1 Ų166.1 Ų66.11%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-129.9160.2175.362.2171.5000111.4K40 A41 I43 V56 L69 L78 K79 V80I25-K40 WeakPolarHBondContact O-CA 3.46Å; I25-A41 HydrophobicContact CD1-CB 4.23Å; I25-A41 HydrophobicContact CG1-CB 3.84Å; I25-A41 PolarHBondContact N-O 3.01Å; I25-A41 PolarHBondContact O-N 2.9Å; I25-A41 VanDerWaalsContact O-N 3.08Å; I25-I43 HydrophobicContact CD1-CD1 4.28Å; I25-I43 HydrophobicContact CD1-CG1 4.06Å; I25-I43 HydrophobicContact CG1-CG1 4.43Å; I25-I43 HydrophobicContact CG2-CD1 3.66Å; I25-I43 HydrophobicContact CG2-CG1 4.04Å; I25-V56 HydrophobicContact CD1-CG1 4.41Å; I25-L69 HydrophobicContact CD1-CD1 3.98Å; I25-L69 HydrophobicContact CD1-CD2 4.11Å; I25-L78 HydrophobicContact CB-CD1 4.22Å; I25-L78 HydrophobicContact CD1-CD1 4.13Å; I25-K79 CarbonylContact C-O 3.54Å; I25-K79 VanDerWaalsContact CA-O 3.27Å; I25-K79 WeakPolarHBondContact CA-O 3.43Å; I25-V80 HydrophobicContact CG2-CG2 4.43Å
26S97.3Very high87.7Confident25 Ų2562.7 Ų62.718%0.17536%0.361CS..EExtended strand (participates in β ladder)trans-137.9143164.466.60000110.5W39 K79S26-W39 VanDerWaalsContact CA-O 3.22Å; S26-W39 WeakPolarHBondContact CA-O 3.22Å; S26-K79 PolarHBondContact N-O 3.36Å; S26-K79 PolarHBondContact O-N 2.94Å
27H98.3Very high90.5Very high5 Ų561.3 Ų61.32%0.02334%0.344CS..EExtended strand (participates in β ladder)trans-154.2163.5173.363.593.4000111.1W39 Y58 I75 L76 L78H27-W39 PolarHBondContact N-O 2.79Å; H27-W39 PolarHBondContact O-N 3.49Å; H27-Y58 PolarHBondContact CE1-OH 2.91Å; H27-Y58 AromaticContact NE2-CE1 3.35Å; H27-Y58 VanDerWaalsContact NE2-CE1 3.35Å; H27-Y58 WeakPolarHBondContact NE2-CE1 3.4Å; H27-Y58 AromaticContact NE2-CZ 3.61Å; H27-Y58 PolarHBondContact NE2-OH 3.1Å; H27-I75 HydrophobicContact CB-CG2 3.88Å; H27-L76 WeakPolarHBondContact CB-O 3.27Å; H27-L78 HydrophobicContact CB-CB 4.43Å; H27-L78 HydrophobicContact CB-CD1 4.12Å
28G98.2Very high92.7Very high3 Ų360.3 Ų60.33%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-80.3150.1162.500000110.6T37 L76G28-T37 CarbonylContact C-O 3.56Å; G28-T37 VanDerWaalsContact CA-O 3.27Å; G28-T37 WeakPolarHBondContact CA-O 3.31Å; G28-L76 PolarHBondContact N-O 2.83Å; G28-L76 PolarHBondContact O-N 2.71Å
29W97.8Very high94.4Very high30 Ų3062.7 Ų62.711%0.11434%0.335CS..EExtended strand (participates in β ladder)trans-124.7127172.2-179.9-98000109.7E31 V36 T37 W39 Q67 R74 I75 L215W29-E31 VanDerWaalsContact CZ2-OE2 3.31Å; W29-E31 WeakPolarHBondContact CZ2-OE2 3.31Å; W29-E31 PolarHBondContact NE1-OE2 3.46Å; W29-V36 WeakPolarHBondContact O-CA 3.32Å; W29-T37 PolarHBondContact N-O 3.46Å; W29-T37 PolarHBondContact O-N 2.84Å; W29-T37 PolarHBondContact O-OG1 3.29Å; W29-W39 VanDerWaalsContact CB-CD1 3.5Å; W29-Q67 VanDerWaalsContact CH2-NE2 3.31Å; W29-R74 CarbonylContact C-O 3.54Å; W29-R74 WeakPolarHBondContact CA-O 3.38Å; W29-R74 HydrophobicContact CD2-CB 4.1Å; W29-R74 HydrophobicContact CE3-CB 3.82Å; W29-R74 HydrophobicContact CH2-CB 3.63Å; W29-R74 HydrophobicContact CH2-CG 4.25Å; W29-R74 HydrophobicContact CZ2-CB 3.89Å; W29-R74 HydrophobicContact CZ2-CG 4.3Å; W29-R74 HydrophobicContact CZ3-CB 3.56Å; W29-I75 HydrophobicContact CE3-CG1 4.01Å; W29-I75 HydrophobicContact CZ3-CG1 3.87Å; W29-L215 HydrophobicContact CH2-CD1 3.69Å; W29-L215 HydrophobicContact CH2-CD2 4.13Å; W29-L215 HydrophobicContact CH2-CG 4.49Å; W29-L215 HydrophobicContact CZ2-CD1 3.78Å
30K97.3Very high95.1Very high96 Ų9662.4 Ų62.442%0.41733%0.329SS..  trans-127.2111.6178.1-169.9-180179-1760110.9G32 V36 R74 L76K30-G32 VanDerWaalsContact CE-O 3.32Å; K30-G32 WeakPolarHBondContact CE-O 3.2Å; K30-V36 HydrophobicContact CB-CG2 4.2Å; K30-V36 HydrophobicContact CD-CG2 4.23Å; K30-V36 HydrophobicContact CG-CG2 4.25Å; K30-R74 PolarHBondContact N-O 2.93Å; K30-R74 WeakPolarHBondContact O-CB 3.35Å; K30-R74 WeakPolarHBondContact O-CG 3.32Å; K30-L76 HydrophobicContact CB-CD1 3.9Å; K30-L76 HydrophobicContact CD-CD1 4.36Å
31E93.2Very high95.3Very high79 Ų7961.5 Ų61.537%0.36932%0.324SS..  trans-99.3103176.6-167.168.4-120.300110W29 I33 K34 R74W29-E31 VanDerWaalsContact CZ2-OE2 3.31Å; W29-E31 WeakPolarHBondContact CZ2-OE2 3.31Å; W29-E31 PolarHBondContact NE1-OE2 3.46Å; E31-I33 PolarHBondContact O-N 3.25Å; E31-K34 HydrophobicContact CB-CD 4.34Å; E31-K34 VanDerWaalsContact O-CB 3.28Å; E31-K34 WeakPolarHBondContact O-CB 3.19Å; E31-K34 WeakPolarHBondContact O-CG 3.33Å; E31-K34 PolarHBondContact O-N 3.21Å; E31-R74 IonicContact OE2-NH1 3.33Å
32G92.6Very high95.5Very high56 Ų5661.1 Ų61.158%0.57732%0.321SS*.THydrogen-bonded Turntrans55.9-121.9-178.100000112.8K30K30-G32 VanDerWaalsContact CE-O 3.32Å; K30-G32 WeakPolarHBondContact CE-O 3.2Å
33I93.9Very high95.7Very high179 Ų17960.9 Ų60.992%0.91832%0.319SS*.THydrogen-bonded Turntrans-87.7-0.8179.863170.4000113.9E31E31-I33 PolarHBondContact O-N 3.25Å
34K94.6Very high95.8Very high138 Ų13860.5 Ų60.560%0.632%0.316SS*.SBendtrans-69.1156-177.2-63.9-177.8-176.6175.80111.6E31E31-K34 HydrophobicContact CB-CD 4.34Å; E31-K34 VanDerWaalsContact O-CB 3.28Å; E31-K34 WeakPolarHBondContact O-CB 3.19Å; E31-K34 WeakPolarHBondContact O-CG 3.33Å; E31-K34 PolarHBondContact O-N 3.21Å
35P96.9Very high95.7Very high112 Ų11258.5 Ų58.573%0.72731%0.313SS*.PPolyproline II helixtrans-56.7150.4172.8-23.734000112.3T37P35-T37 PolarHBondContact O-N 3.42Å
36V97.8Very high95.5Very high72 Ų7262.1 Ų62.144%0.43633%0.329SS..PPolyproline II helixtrans-70.8128.5175.3-176.60000109.4W29 K30 L76W29-V36 WeakPolarHBondContact O-CA 3.32Å; K30-V36 HydrophobicContact CB-CG2 4.2Å; K30-V36 HydrophobicContact CD-CG2 4.23Å; K30-V36 HydrophobicContact CG-CG2 4.25Å; V36-L76 HydrophobicContact CG1-CD1 4.25Å; V36-L76 HydrophobicContact CG2-CD1 3.92Å
37T98Very high94.9Very high61 Ų6161.1 Ų61.137%0.37432%0.322SS..EExtended strand (participates in β ladder)trans-105.6145.9173.148.30000109.7G28 W29 P35 W39G28-T37 CarbonylContact C-O 3.56Å; G28-T37 VanDerWaalsContact CA-O 3.27Å; G28-T37 WeakPolarHBondContact CA-O 3.31Å; W29-T37 PolarHBondContact N-O 3.46Å; W29-T37 PolarHBondContact O-N 2.84Å; W29-T37 PolarHBondContact O-OG1 3.29Å; P35-T37 PolarHBondContact O-N 3.42Å; T37-W39 PolarHBondContact OG1-NE1 2.84Å
38N98Very high94Very high139 Ų13965.8 Ų65.874%0.74335%0.353SS*.EExtended strand (participates in β ladder)trans-104.5128.5-179.7-69.9-70.2000110.1
39W98.1Very high93.2Very high93 Ų9368.6 Ų68.635%0.35237%0.37SS..EExtended strand (participates in β ladder)trans-122.8149.9-175.7-64.291.3000111.2S26 H27 W29 T37 Y58 I61S26-W39 VanDerWaalsContact CA-O 3.22Å; S26-W39 WeakPolarHBondContact CA-O 3.22Å; H27-W39 PolarHBondContact N-O 2.79Å; H27-W39 PolarHBondContact O-N 3.49Å; W29-W39 VanDerWaalsContact CB-CD1 3.5Å; T37-W39 PolarHBondContact OG1-NE1 2.84Å; W39-Y58 HydrophobicContact CB-CD1 3.77Å; W39-Y58 HydrophobicContact CB-CE1 3.64Å; W39-Y58 HydrophobicContact CD2-CD1 4.49Å; W39-Y58 HydrophobicContact CE3-CD1 4.17Å; W39-Y58 HydrophobicContact CG-CD1 4.37Å; W39-Y58 HydrophobicContact CG-CE1 4.29Å; W39-I61 HydrophobicContact CZ3-CG1 4.45Å
40K97.1Very high92.7Very high110 Ų11069.1 Ų69.148%0.47837%0.374SS..EExtended strand (participates in β ladder)trans-125.9143.6171.9-68.8179.3-176.3171.40108.7I25 Y58 D59I25-K40 WeakPolarHBondContact O-CA 3.46Å; K40-Y58 WeakPolarHBondContact O-CA 3.42Å; K40-Y58 WeakPolarHBondContact O-CD1 3.36Å; K40-D59 HydrophobicContact CB-CB 4.48Å; K40-D59 VanDerWaalsContact CB-OD2 3.23Å; K40-D59 WeakPolarHBondContact CB-OD2 3.4Å; K40-D59 PolarHBondContact O-N 3.02Å
41A95.2Very high92.3Very high0 Ų068.3 Ų68.30%038%0.379CS..EExtended strand (participates in β ladder)trans-152.9170-176.600000112.1R24 I25 V56 K57 Y58R24-A41 CarbonylContact C-O 3.6Å; R24-A41 VanDerWaalsContact CA-O 3.31Å; R24-A41 WeakPolarHBondContact CA-O 3.48Å; I25-A41 HydrophobicContact CD1-CB 4.23Å; I25-A41 HydrophobicContact CG1-CB 3.84Å; I25-A41 PolarHBondContact N-O 3.01Å; I25-A41 PolarHBondContact O-N 2.9Å; I25-A41 VanDerWaalsContact O-N 3.08Å; A41-V56 HydrophobicContact CB-CG1 3.42Å; A41-V56 VanDerWaalsContact CB-CG1 3.42Å; A41-K57 CarbonylContact C-O 3.58Å; A41-K57 WeakPolarHBondContact CA-O 3.45Å; A41-K57 VanDerWaalsContact CB-O 3.24Å; A41-K57 WeakPolarHBondContact CB-O 3.38Å; A41-Y58 HydrophobicContact CB-CD1 3.62Å; A41-Y58 HydrophobicContact CB-CE1 3.85Å; A41-Y58 HydrophobicContact CB-CG 4.08Å
42I93.2Very high92.3Very high13 Ų1367.4 Ų67.47%0.06738%0.382CS..EExtended strand (participates in β ladder)trans-111.3139.7162.4-172.8-178.7000109.3L44 K57 V85 L129I42-L44 HydrophobicContact CD1-CD2 4.47Å; I42-L44 HydrophobicContact CG2-CD2 3.73Å; I42-K57 HydrophobicContact CG2-CB 3.85Å; I42-K57 HydrophobicContact CG2-CD 4.38Å; I42-K57 PolarHBondContact N-O 3.29Å; I42-K57 PolarHBondContact O-N 2.67Å; I42-V85 HydrophobicContact CD1-CB 4Å; I42-V85 HydrophobicContact CD1-CG1 4.47Å; I42-V85 HydrophobicContact CD1-CG2 3.5Å; I42-V85 HydrophobicContact CG1-CG2 4.19Å; I42-L129 HydrophobicContact CD1-CD1 4.29Å; I42-L129 HydrophobicContact CD1-CD2 4.38Å; I42-L129 HydrophobicContact CD1-CG 4.39Å
43I93.3Very high92.3Very high0 Ų065.1 Ų65.10%036%0.356CS..EExtended strand (participates in β ladder)trans-85.8111.8171.3-59.5178.7000108I20 V21 G22 C23 I25 Y54 L55 L69I20-I43 HydrophobicContact CB-CD1 3.89Å; I20-I43 HydrophobicContact CD1-CD1 3.33Å; I20-I43 HydrophobicContact CG1-CD1 3.47Å; I20-I43 VanDerWaalsContact CG1-CD1 3.47Å; V21-I43 HydrophobicContact CB-CG2 4.43Å; V21-I43 HydrophobicContact CG2-CG2 4.1Å; G22-I43 WeakPolarHBondContact CA-O 3.45Å; G22-I43 PolarHBondContact N-O 2.96Å; C23-I43 PolarHBondContact O-N 3.43Å; C23-I43 VanDerWaalsContact O-N 3.07Å; I25-I43 HydrophobicContact CD1-CD1 4.28Å; I25-I43 HydrophobicContact CD1-CG1 4.06Å; I25-I43 HydrophobicContact CG1-CG1 4.43Å; I25-I43 HydrophobicContact CG2-CD1 3.66Å; I25-I43 HydrophobicContact CG2-CG1 4.04Å; I43-Y54 HydrophobicContact CG2-CD1 3.66Å; I43-Y54 HydrophobicContact CG2-CE1 4.5Å; I43-Y54 HydrophobicContact CG2-CG 4.33Å; I43-L55 CarbonylContact C-O 3.5Å; I43-L69 HydrophobicContact CD1-CD1 3.55Å; I43-L69 HydrophobicContact CG1-CD1 4.09Å
44L91.8Very high92.4Very high2 Ų257.2 Ų57.21%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-81-32.8-178-59.2-175.8000112.3I42 L55 K57 V64 P127 F128 L129 Y134I42-L44 HydrophobicContact CD1-CD2 4.47Å; I42-L44 HydrophobicContact CG2-CD2 3.73Å; L44-L55 HydrophobicContact CB-CB 4.22Å; L44-L55 PolarHBondContact N-O 2.73Å; L44-K57 HydrophobicContact CD1-CB 3.92Å; L44-K57 HydrophobicContact CD2-CB 4.23Å; L44-K57 HydrophobicContact CG-CB 4.07Å; L44-V64 HydrophobicContact CD1-CG1 4.15Å; L44-V64 HydrophobicContact CD1-CG2 4.01Å; L44-P127 HydrophobicContact CB-CG 4.23Å; L44-P127 WeakPolarHBondContact O-CG 3.42Å; L44-F128 VanDerWaalsContact O-CE2 3.32Å; L44-F128 WeakPolarHBondContact O-CE2 3.06Å; L44-L129 HydrophobicContact CD2-CD1 3.85Å; L44-Y134 WeakPolarHBondContact CB-OH 3.23Å; L44-Y134 HydrophobicContact CD1-CE1 3.71Å; L44-Y134 WeakPolarHBondContact CD1-OH 3.29Å
45G90.9Very high92.4Very high14 Ų1451.3 Ų51.314%0.14429%0.29CS..EExtended strand (participates in β ladder)trans-172172.1-17500000112.2Y54 L55G45-Y54 WeakPolarHBondContact O-CA 3.27Å; G45-L55 PolarHBondContact N-O 2.86Å; G45-L55 PolarHBondContact O-N 3.18Å
46Q91.4Very high92.4Very high77 Ų7746 Ų4636%0.3626%0.255SS..EExtended strand (participates in β ladder)trans-128.5134.2173.3-174.9179.435.700107V21 P51 Y54V21-Q46 HydrophobicContact CG2-CB 3.86Å; Q46-P51 PolarHBondContact NE2-O 2.9Å; Q46-Y54 HydrophobicContact CB-CD1 4.01Å; Q46-Y54 HydrophobicContact CB-CE1 4.07Å; Q46-Y54 HydrophobicContact CG-CD1 4.12Å; Q46-Y54 HydrophobicContact CG-CE1 3.92Å; Q46-Y54 PolarHBondContact NE2-OH 3.41Å
47L85.8Confident92.2Very high5 Ų543.9 Ų43.93%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-77.7129.9-174.6-74.7162.7000110.6T49 N50 L53 L55 V197 Y198L47-T49 VanDerWaalsContact C-N 3.26Å; L47-T49 PolarHBondContact O-N 3.07Å; L47-N50 CarbonylContact O-C 3.55Å; L47-N50 PolarHBondContact O-N 3.47Å; L47-N50 VanDerWaalsContact O-O 3.14Å; L47-L53 HydrophobicContact CD1-CB 4.23Å; L47-L53 HydrophobicContact CD1-CD2 3.35Å; L47-L53 HydrophobicContact CD1-CG 3.76Å; L47-L53 PolarHBondContact N-O 2.8Å; L47-L53 VanDerWaalsContact N-O 3.09Å; L47-L55 HydrophobicContact CD1-CD2 4.25Å; L47-L55 HydrophobicContact CG-CD2 4.49Å; L47-L55 HydrophobicContact CG-CG 4.49Å; L47-V197 HydrophobicContact CD1-CB 3.81Å; L47-V197 HydrophobicContact CD1-CG1 4.31Å; L47-V197 HydrophobicContact CD1-CG2 3.85Å; L47-V197 HydrophobicContact CD2-CB 4.27Å; L47-V197 HydrophobicContact CD2-CG2 4.26Å; L47-Y198 HydrophobicContact CD2-CD2 4.41Å
48P80.2Confident92.1Very high103 Ų10341.7 Ų41.767%0.66923%0.225SC*.THydrogen-bonded Turntrans-60.4-34.8-175.8-22.831.5000113.5
49T80.8Confident92Very high62 Ų6238.8 Ų38.838%0.3821%0.209SC..THydrogen-bonded Turntrans-89.2-10.2-175.157.70000114.1L47 I178 V197L47-T49 VanDerWaalsContact C-N 3.26Å; L47-T49 PolarHBondContact O-N 3.07Å; T49-I178 HydrophobicContact CG2-CG2 3.36Å; T49-V197 PolarHBondContact OG1-O 2.89Å
50N87Confident91.8Very high40 Ų4038 Ų3821%0.21423%0.231CC..EExtended strand (participates in β ladder)trans-144.789.5169.2-176.20.1000109L47 S52 L53 E68L47-N50 CarbonylContact O-C 3.55Å; L47-N50 PolarHBondContact O-N 3.47Å; L47-N50 VanDerWaalsContact O-O 3.14Å; N50-S52 PolarHBondContact O-N 3.07Å; N50-S52 VanDerWaalsContact O-N 3.1Å; N50-S52 WeakPolarHBondContact OD1-CB 3.43Å; N50-S52 PolarHBondContact OD1-N 3.27Å; N50-S52 VanDerWaalsContact OD1-N 3.17Å; N50-L53 HydrophobicContact CB-CB 4.05Å; N50-L53 WeakPolarHBondContact O-CB 3.23Å; N50-L53 PolarHBondContact O-N 2.77Å; N50-E68 PolarHBondContact ND2-OE1 2.93Å
51P89.7Confident91.7Very high79 Ų7935.4 Ų35.451%0.51322%0.222SC..EExtended strand (participates in β ladder)trans-60.3-20179.8-25.234.8000114Q46 L53Q46-P51 PolarHBondContact NE2-O 2.9Å; P51-L53 PolarHBondContact O-N 3.08Å
52S91.9Very high91.7Very high61 Ų6138.6 Ų38.643%0.42724%0.239SC..EExtended strand (participates in β ladder)trans-70.7-23.8174-60.80000112.2N50 Y54 E68N50-S52 PolarHBondContact O-N 3.07Å; N50-S52 VanDerWaalsContact O-N 3.1Å; N50-S52 WeakPolarHBondContact OD1-CB 3.43Å; N50-S52 PolarHBondContact OD1-N 3.27Å; N50-S52 VanDerWaalsContact OD1-N 3.17Å; S52-Y54 WeakPolarHBondContact O-CD2 3.36Å; S52-E68 VanDerWaalsContact O-CA 3.24Å; S52-E68 WeakPolarHBondContact O-CA 3.24Å
53L93.8Very high91.9Very high7 Ų738.7 Ų38.74%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-94.4115.9-172-167.767.2000111.8L47 N50 P51 G66 E68 V197 K210L47-L53 HydrophobicContact CD1-CB 4.23Å; L47-L53 HydrophobicContact CD1-CD2 3.35Å; L47-L53 HydrophobicContact CD1-CG 3.76Å; L47-L53 PolarHBondContact N-O 2.8Å; L47-L53 VanDerWaalsContact N-O 3.09Å; N50-L53 HydrophobicContact CB-CB 4.05Å; N50-L53 WeakPolarHBondContact O-CB 3.23Å; N50-L53 PolarHBondContact O-N 2.77Å; P51-L53 PolarHBondContact O-N 3.08Å; L53-G66 VanDerWaalsContact CD1-C 3.47Å; L53-E68 HydrophobicContact CB-CG 4.37Å; L53-E68 HydrophobicContact CD1-CG 3.83Å; L53-V197 HydrophobicContact CD2-CG1 4.19Å; L53-K210 HydrophobicContact CD2-CB 4.26Å; L53-K210 HydrophobicContact CD2-CG 3.96Å
54Y95.6Very high92Very high14 Ų1438.7 Ų38.76%0.05524%0.24CC..EExtended strand (participates in β ladder)trans-102145.4177.4-65.3-87.8000111.3I20 I43 G45 Q46 S52 G66 Q67 L69I20-Y54 HydrophobicContact CD1-CD1 4.33Å; I20-Y54 HydrophobicContact CD1-CE1 3.71Å; I20-Y54 HydrophobicContact CD1-CE2 4.21Å; I20-Y54 HydrophobicContact CG1-CD1 4.26Å; I20-Y54 HydrophobicContact CG1-CE1 3.54Å; I43-Y54 HydrophobicContact CG2-CD1 3.66Å; I43-Y54 HydrophobicContact CG2-CE1 4.5Å; I43-Y54 HydrophobicContact CG2-CG 4.33Å; G45-Y54 WeakPolarHBondContact O-CA 3.27Å; Q46-Y54 HydrophobicContact CB-CD1 4.01Å; Q46-Y54 HydrophobicContact CB-CE1 4.07Å; Q46-Y54 HydrophobicContact CG-CD1 4.12Å; Q46-Y54 HydrophobicContact CG-CE1 3.92Å; Q46-Y54 PolarHBondContact NE2-OH 3.41Å; S52-Y54 WeakPolarHBondContact O-CD2 3.36Å; Y54-G66 CarbonylContact O-C 3.6Å; Y54-G66 WeakPolarHBondContact O-CA 3.43Å; Y54-Q67 PolarHBondContact N-O 3.08Å; Y54-Q67 PolarHBondContact O-N 2.88Å; Y54-L69 HydrophobicContact CD2-CB 4.02Å; Y54-L69 HydrophobicContact CD2-CD1 3.73Å; Y54-L69 HydrophobicContact CD2-CG 3.8Å; Y54-L69 HydrophobicContact CE2-CB 4.35Å; Y54-L69 HydrophobicContact CE2-CD1 4.38Å; Y54-L69 HydrophobicContact CG-CD1 3.8Å; Y54-L69 HydrophobicContact CG-CG 4.22Å
55L95.2Very high92.3Very high14 Ų1440.5 Ų40.57%0.07325%0.247CC..EExtended strand (participates in β ladder)trans-87.3122.9165.7-61-178.5000108.7I43 L44 G45 L47 V64 Y65 I217I43-L55 CarbonylContact C-O 3.5Å; L44-L55 HydrophobicContact CB-CB 4.22Å; L44-L55 PolarHBondContact N-O 2.73Å; G45-L55 PolarHBondContact N-O 2.86Å; G45-L55 PolarHBondContact O-N 3.18Å; L47-L55 HydrophobicContact CD1-CD2 4.25Å; L47-L55 HydrophobicContact CG-CD2 4.49Å; L47-L55 HydrophobicContact CG-CG 4.49Å; L55-V64 HydrophobicContact CB-CG1 4.04Å; L55-V64 HydrophobicContact CD2-CG1 4.31Å; L55-Y65 CarbonylContact C-O 3.53Å; L55-Y65 WeakPolarHBondContact CA-O 3.12Å; L55-I217 HydrophobicContact CD2-CD1 4.01Å; L55-I217 HydrophobicContact CD2-CG1 3.78Å
56V95.5Very high92.5Very high0 Ų039.9 Ų39.90%024%0.241CC..EExtended strand (participates in β ladder)trans-128.7129-168.9-174.40000109.7I25 A41 Y58 Y65 L69I25-V56 HydrophobicContact CD1-CG1 4.41Å; A41-V56 HydrophobicContact CB-CG1 3.42Å; A41-V56 VanDerWaalsContact CB-CG1 3.42Å; V56-Y58 HydrophobicContact CB-CE2 4.4Å; V56-Y58 HydrophobicContact CG1-CD2 4.21Å; V56-Y58 HydrophobicContact CG1-CE1 4.4Å; V56-Y58 HydrophobicContact CG1-CE2 3.79Å; V56-Y65 PolarHBondContact N-O 2.76Å; V56-Y65 PolarHBondContact O-N 2.98Å; V56-L69 HydrophobicContact CG2-CD1 4.35Å; V56-L69 HydrophobicContact CG2-CD2 4.18Å; V56-L69 HydrophobicContact CG2-CG 4.5Å
57K94.7Very high92.7Very high27 Ų2736.3 Ų36.312%0.11722%0.224CC..EExtended strand (participates in β ladder)trans-110.1116.9170.2-175-157.4-172.3-53.70109.4A41 I42 L44 I61 V145A41-K57 CarbonylContact C-O 3.58Å; A41-K57 WeakPolarHBondContact CA-O 3.45Å; A41-K57 VanDerWaalsContact CB-O 3.24Å; A41-K57 WeakPolarHBondContact CB-O 3.38Å; I42-K57 HydrophobicContact CG2-CB 3.85Å; I42-K57 HydrophobicContact CG2-CD 4.38Å; I42-K57 PolarHBondContact N-O 3.29Å; I42-K57 PolarHBondContact O-N 2.67Å; L44-K57 HydrophobicContact CD1-CB 3.92Å; L44-K57 HydrophobicContact CD2-CB 4.23Å; L44-K57 HydrophobicContact CG-CB 4.07Å; K57-I61 PolarHBondContact NZ-O 3.23Å; K57-V145 HydrophobicContact CB-CG1 4.36Å; K57-V145 HydrophobicContact CD-CG1 3.5Å; K57-V145 VanDerWaalsContact CD-CG1 3.5Å; K57-V145 VanDerWaalsContact CE-CG1 3.5Å; K57-V145 HydrophobicContact CG-CG1 3.71Å
58Y96.1Very high93.2Very high15 Ų1539.4 Ų39.46%0.05924%0.239CC..EExtended strand (participates in β ladder)trans-80.5150177.8-73-82.2000112.2H27 W39 K40 A41 V56 G60 I61 Y65 Q67H27-Y58 PolarHBondContact CE1-OH 2.91Å; H27-Y58 AromaticContact NE2-CE1 3.35Å; H27-Y58 VanDerWaalsContact NE2-CE1 3.35Å; H27-Y58 WeakPolarHBondContact NE2-CE1 3.4Å; H27-Y58 AromaticContact NE2-CZ 3.61Å; H27-Y58 PolarHBondContact NE2-OH 3.1Å; W39-Y58 HydrophobicContact CB-CD1 3.77Å; W39-Y58 HydrophobicContact CB-CE1 3.64Å; W39-Y58 HydrophobicContact CD2-CD1 4.49Å; W39-Y58 HydrophobicContact CE3-CD1 4.17Å; W39-Y58 HydrophobicContact CG-CD1 4.37Å; W39-Y58 HydrophobicContact CG-CE1 4.29Å; K40-Y58 WeakPolarHBondContact O-CA 3.42Å; K40-Y58 WeakPolarHBondContact O-CD1 3.36Å; A41-Y58 HydrophobicContact CB-CD1 3.62Å; A41-Y58 HydrophobicContact CB-CE1 3.85Å; A41-Y58 HydrophobicContact CB-CG 4.08Å; V56-Y58 HydrophobicContact CB-CE2 4.4Å; V56-Y58 HydrophobicContact CG1-CD2 4.21Å; V56-Y58 HydrophobicContact CG1-CE1 4.4Å; V56-Y58 HydrophobicContact CG1-CE2 3.79Å; Y58-G60 PolarHBondContact O-N 3.17Å; Y58-I61 PolarHBondContact O-N 3.09Å; Y58-I61 VanDerWaalsContact O-O 3.13Å; Y58-Y65 AromaticContact CD2-CD2 3.51Å; Y58-Y65 HydrophobicContact CD2-CD2 3.51Å; Y58-Y65 AromaticContact CD2-CE2 3.9Å; Y58-Y65 HydrophobicContact CD2-CE2 3.9Å; Y58-Y65 HydrophobicContact CD2-CG 4.27Å; Y58-Y65 AromaticContact CE2-CD2 3.89Å; Y58-Y65 HydrophobicContact CE2-CD2 3.89Å; Y58-Y65 HydrophobicContact CE2-CG 4.19Å; Y58-Q67 PolarHBondContact OH-OE1 2.93Å
59D94.2Very high93.9Very high78 Ų7834.7 Ų34.742%0.41721%0.208SC..THydrogen-bonded Turntrans-61.6127.8174.4-68.11.3000109.1R24 K40 I61R24-D59 IonicContact CZ-OD2 3.74Å; R24-D59 VanDerWaalsContact NH1-CG 3.29Å; R24-D59 IonicContact NH1-OD1 3.42Å; R24-D59 PolarHBondContact NH1-OD1 3.48Å; R24-D59 IonicContact NH1-OD2 2.74Å; R24-D59 PolarHBondContact NH1-OD2 2.92Å; R24-D59 IonicContact NH2-OD2 3.83Å; K40-D59 HydrophobicContact CB-CB 4.48Å; K40-D59 VanDerWaalsContact CB-OD2 3.23Å; K40-D59 WeakPolarHBondContact CB-OD2 3.4Å; K40-D59 PolarHBondContact O-N 3.02Å; D59-I61 VanDerWaalsContact C-N 3.28Å; D59-I61 PolarHBondContact O-N 2.85Å
60G93.9Very high94.6Very high78 Ų7837.2 Ų37.280%0.80422%0.215SC*.THydrogen-bonded Turntrans76.56-179.800000115.8Y58Y58-G60 PolarHBondContact O-N 3.17Å
61I95.6Very high94.9Very high55 Ų5538.4 Ų38.428%0.28223%0.226SC..  trans-122.8136.3175.9-50.1-67.1000109.5W39 K57 Y58 D59 Y65W39-I61 HydrophobicContact CZ3-CG1 4.45Å; K57-I61 PolarHBondContact NZ-O 3.23Å; Y58-I61 PolarHBondContact O-N 3.09Å; Y58-I61 VanDerWaalsContact O-O 3.13Å; D59-I61 VanDerWaalsContact C-N 3.28Å; D59-I61 PolarHBondContact O-N 2.85Å; I61-Y65 HydrophobicContact CG2-CE2 3.74Å
62D95Very high95.2Very high67 Ų6736 Ų3636%0.35821%0.209SC..  trans-93.5-23.3-175.5-58.1-31.3000113.2Y144 V145 Y146D62-Y144 HydrophobicContact CB-CD1 4.12Å; D62-Y144 WeakPolarHBondContact O-CA 3.33Å; D62-V145 PolarHBondContact O-N 3.17Å; D62-Y146 HydrophobicContact CB-CE1 3.66Å; D62-Y146 HydrophobicContact CB-CE2 4.19Å; D62-Y146 VanDerWaalsContact CB-CZ 3.43Å; D62-Y146 WeakPolarHBondContact CB-OH 3.46Å; D62-Y146 VanDerWaalsContact OD2-CE1 3.25Å; D62-Y146 WeakPolarHBondContact OD2-CE1 3.4Å; D62-Y146 PolarHBondContact OD2-OH 3.18Å
63S96.5Very high95.4Very high14 Ų1441.7 Ų41.710%0.09823%0.229CC..BIsolated β-bridgetrans-70.9145.6175.5-52.70000111.8Y65 Y144S63-Y65 WeakPolarHBondContact O-CD2 3.35Å; S63-Y65 WeakPolarHBondContact O-CE2 3.01Å; S63-Y144 WeakPolarHBondContact OG-CE1 3.15Å
64V96.4Very high95.5Very high1 Ų144.1 Ų44.11%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-95.6128.2174.3-178.40000109.4L44 L55 Y134 L143 V145L44-V64 HydrophobicContact CD1-CG1 4.15Å; L44-V64 HydrophobicContact CD1-CG2 4.01Å; L55-V64 HydrophobicContact CB-CG1 4.04Å; L55-V64 HydrophobicContact CD2-CG1 4.31Å; V64-Y134 HydrophobicContact CG2-CD1 4.2Å; V64-Y134 HydrophobicContact CG2-CE1 3.87Å; V64-L143 HydrophobicContact CB-CB 4.25Å; V64-L143 HydrophobicContact CB-CD2 3.86Å; V64-L143 HydrophobicContact CB-CG 3.94Å; V64-L143 HydrophobicContact CG1-CD2 3.91Å; V64-L143 HydrophobicContact CG2-CD2 4.25Å; V64-L143 HydrophobicContact CG2-CG 4.07Å; V64-L143 PolarHBondContact N-O 2.9Å; V64-V145 HydrophobicContact CG2-CB 3.91Å; V64-V145 HydrophobicContact CG2-CG1 3.87Å
65Y97.2Very high95.6Very high39 Ų3944.3 Ų44.315%0.15324%0.24CC..EExtended strand (participates in β ladder)trans-103.7140.8-179.2-63.8-85.2000111.3L55 V56 Y58 I61 S63 L215 H216L55-Y65 CarbonylContact C-O 3.53Å; L55-Y65 WeakPolarHBondContact CA-O 3.12Å; V56-Y65 PolarHBondContact N-O 2.76Å; V56-Y65 PolarHBondContact O-N 2.98Å; Y58-Y65 AromaticContact CD2-CD2 3.51Å; Y58-Y65 HydrophobicContact CD2-CD2 3.51Å; Y58-Y65 AromaticContact CD2-CE2 3.9Å; Y58-Y65 HydrophobicContact CD2-CE2 3.9Å; Y58-Y65 HydrophobicContact CD2-CG 4.27Å; Y58-Y65 AromaticContact CE2-CD2 3.89Å; Y58-Y65 HydrophobicContact CE2-CD2 3.89Å; Y58-Y65 HydrophobicContact CE2-CG 4.19Å; I61-Y65 HydrophobicContact CG2-CE2 3.74Å; S63-Y65 WeakPolarHBondContact O-CD2 3.35Å; S63-Y65 WeakPolarHBondContact O-CE2 3.01Å; Y65-L215 CarbonylContact C-O 3.56Å; Y65-L215 WeakPolarHBondContact CA-O 3.33Å; Y65-L215 HydrophobicContact CD1-CB 3.56Å; Y65-L215 HydrophobicContact CE1-CB 4.2Å; Y65-H216 AromaticContact CE1-CD2 3.72Å; Y65-H216 AromaticContact CE1-NE2 3.46Å; Y65-H216 WeakPolarHBondContact CE1-NE2 3.49Å; Y65-H216 AromaticContact CZ-NE2 3.96Å
66G96.4Very high95.7Very high1 Ų146.4 Ų46.41%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-98.6111.717000000109.9L53 Y54 K210 L215L53-G66 VanDerWaalsContact CD1-C 3.47Å; Y54-G66 CarbonylContact O-C 3.6Å; Y54-G66 WeakPolarHBondContact O-CA 3.43Å; G66-K210 WeakPolarHBondContact O-CE 3.22Å; G66-L215 PolarHBondContact N-O 2.93Å
67Q95.6Very high95.7Very high2 Ų252.9 Ų52.91%0.00929%0.285CS..EExtended strand (participates in β ladder)trans-139137.3-172.7-155.516155.500113.7W29 Y54 Y58 L69 I75 L215W29-Q67 VanDerWaalsContact CH2-NE2 3.31Å; Y54-Q67 PolarHBondContact N-O 3.08Å; Y54-Q67 PolarHBondContact O-N 2.88Å; Y58-Q67 PolarHBondContact OH-OE1 2.93Å; Q67-L69 HydrophobicContact CB-CD2 4.28Å; Q67-L69 HydrophobicContact CG-CD2 4.43Å; Q67-L69 PolarHBondContact O-N 3.17Å; Q67-I75 HydrophobicContact CG-CD1 3.92Å; Q67-L215 HydrophobicContact CG-CD2 4.33Å; Q67-L215 VanDerWaalsContact NE2-CD2 3.27Å
68E95.1Very high95.8Very high71 Ų7154 Ų5433%0.33229%0.292SS..  trans-87.580.9175.9-55.7-169.216300110.6N50 S52 L53 H70 S71 D72N50-E68 PolarHBondContact ND2-OE1 2.93Å; S52-E68 VanDerWaalsContact O-CA 3.24Å; S52-E68 WeakPolarHBondContact O-CA 3.24Å; L53-E68 HydrophobicContact CB-CG 4.37Å; L53-E68 HydrophobicContact CD1-CG 3.83Å; E68-H70 PolarHBondContact O-N 2.79Å; E68-S71 WeakPolarHBondContact CB-OG 3.25Å; E68-S71 PolarHBondContact O-N 3.07Å; E68-S71 VanDerWaalsContact O-N 3.08Å; E68-S71 PolarHBondContact OE2-OG 2.81Å; E68-D72 WeakPolarHBondContact O-CB 3.44Å; E68-D72 PolarHBondContact O-N 2.75Å
69L95.9Very high95.8Very high4 Ų459.5 Ų59.52%0.02132%0.316CS..THydrogen-bonded Turntrans-55.5-25.9-165-66.7178000115.5I20 I25 I43 Y54 V56 Q67 I75 L78I20-L69 HydrophobicContact CD1-CD1 4.24Å; I25-L69 HydrophobicContact CD1-CD1 3.98Å; I25-L69 HydrophobicContact CD1-CD2 4.11Å; I43-L69 HydrophobicContact CD1-CD1 3.55Å; I43-L69 HydrophobicContact CG1-CD1 4.09Å; Y54-L69 HydrophobicContact CD2-CB 4.02Å; Y54-L69 HydrophobicContact CD2-CD1 3.73Å; Y54-L69 HydrophobicContact CD2-CG 3.8Å; Y54-L69 HydrophobicContact CE2-CB 4.35Å; Y54-L69 HydrophobicContact CE2-CD1 4.38Å; Y54-L69 HydrophobicContact CG-CD1 3.8Å; Y54-L69 HydrophobicContact CG-CG 4.22Å; V56-L69 HydrophobicContact CG2-CD1 4.35Å; V56-L69 HydrophobicContact CG2-CD2 4.18Å; V56-L69 HydrophobicContact CG2-CG 4.5Å; Q67-L69 HydrophobicContact CB-CD2 4.28Å; Q67-L69 HydrophobicContact CG-CD2 4.43Å; Q67-L69 PolarHBondContact O-N 3.17Å; L69-I75 HydrophobicContact CD2-CD1 3.77Å; L69-L78 HydrophobicContact CB-CD2 4.01Å
70H94.4Very high95.8Very high115 Ų11557.7 Ų57.753%0.53231%0.308SS..THydrogen-bonded Turntrans-99.5-16.6-176.4-61.2-64.5000114.2E68E68-H70 PolarHBondContact O-N 2.79Å
71S94.4Very high95.7Very high64 Ų6456.1 Ų56.145%0.44828%0.281SS..THydrogen-bonded Turntrans-115.7-18.4-175.546.60000113.5E68 E73E68-S71 WeakPolarHBondContact CB-OG 3.25Å; E68-S71 PolarHBondContact O-N 3.07Å; E68-S71 VanDerWaalsContact O-N 3.08Å; E68-S71 PolarHBondContact OE2-OG 2.81Å; S71-E73 PolarHBondContact O-N 3.47Å; S71-E73 VanDerWaalsContact O-N 3.17Å
72D95.3Very high95Very high28 Ų2859.9 Ų59.915%0.1531%0.309CS..  trans-70.2110.6178.3-166.2-32000110.8E68 R74 I75E68-D72 WeakPolarHBondContact O-CB 3.44Å; E68-D72 PolarHBondContact O-N 2.75Å; D72-R74 PolarHBondContact O-N 2.98Å; D72-R74 VanDerWaalsContact O-N 3.07Å; D72-R74 VanDerWaalsContact OD1-CB 3.28Å; D72-R74 WeakPolarHBondContact OD1-CB 3.46Å; D72-R74 WeakPolarHBondContact OD1-CG 3.49Å; D72-R74 IonicContact OD1-CZ 3.59Å; D72-R74 PolarHBondContact OD1-N 2.71Å; D72-R74 IonicContact OD1-NE 3.27Å; D72-R74 PolarHBondContact OD1-NE 3.5Å; D72-R74 IonicContact OD1-NH2 3.98Å; D72-R74 IonicContact OD2-CZ 3.68Å; D72-R74 IonicContact OD2-NE 2.88Å; D72-R74 PolarHBondContact OD2-NE 2.9Å; D72-R74 IonicContact OD2-NH2 2.76Å; D72-R74 PolarHBondContact OD2-NH2 3.23Å; D72-I75 HydrophobicContact CB-CD1 3.97Å; D72-I75 HydrophobicContact CB-CG1 4.12Å; D72-I75 WeakPolarHBondContact O-CB 3.24Å; D72-I75 PolarHBondContact O-N 2.89Å
73E95.6Very high93.9Very high181 Ų18162.3 Ų62.385%0.84632%0.318SS*.THydrogen-bonded Turntrans-61-18.9-177.5-59.9-174.1169.600113.7S71 I75S71-E73 PolarHBondContact O-N 3.47Å; S71-E73 VanDerWaalsContact O-N 3.17Å; E73-I75 VanDerWaalsContact C-N 3.26Å; E73-I75 PolarHBondContact O-N 2.97Å
74R96.7Very high92.6Very high58 Ų5868 Ų6822%0.21934%0.341CS..THydrogen-bonded Turntrans-75-19.3176.2-59.4170.8-69.6-177.2-1.4111.7W29 K30 E31 D72W29-R74 CarbonylContact C-O 3.54Å; W29-R74 WeakPolarHBondContact CA-O 3.38Å; W29-R74 HydrophobicContact CD2-CB 4.1Å; W29-R74 HydrophobicContact CE3-CB 3.82Å; W29-R74 HydrophobicContact CH2-CB 3.63Å; W29-R74 HydrophobicContact CH2-CG 4.25Å; W29-R74 HydrophobicContact CZ2-CB 3.89Å; W29-R74 HydrophobicContact CZ2-CG 4.3Å; W29-R74 HydrophobicContact CZ3-CB 3.56Å; K30-R74 PolarHBondContact N-O 2.93Å; K30-R74 WeakPolarHBondContact O-CB 3.35Å; K30-R74 WeakPolarHBondContact O-CG 3.32Å; E31-R74 IonicContact OE2-NH1 3.33Å; D72-R74 PolarHBondContact O-N 2.98Å; D72-R74 VanDerWaalsContact O-N 3.07Å; D72-R74 VanDerWaalsContact OD1-CB 3.28Å; D72-R74 WeakPolarHBondContact OD1-CB 3.46Å; D72-R74 WeakPolarHBondContact OD1-CG 3.49Å; D72-R74 IonicContact OD1-CZ 3.59Å; D72-R74 PolarHBondContact OD1-N 2.71Å; D72-R74 IonicContact OD1-NE 3.27Å; D72-R74 PolarHBondContact OD1-NE 3.5Å; D72-R74 IonicContact OD1-NH2 3.98Å; D72-R74 IonicContact OD2-CZ 3.68Å; D72-R74 IonicContact OD2-NE 2.88Å; D72-R74 PolarHBondContact OD2-NE 2.9Å; D72-R74 IonicContact OD2-NH2 2.76Å; D72-R74 PolarHBondContact OD2-NH2 3.23Å
75I97.1Very high91.3Very high19 Ų1969.5 Ų69.510%0.09735%0.35CS..EExtended strand (participates in β ladder)trans-85.1121.1178.2-64178.5000109.9H27 W29 Q67 L69 D72 E73 L78H27-I75 HydrophobicContact CB-CG2 3.88Å; W29-I75 HydrophobicContact CE3-CG1 4.01Å; W29-I75 HydrophobicContact CZ3-CG1 3.87Å; Q67-I75 HydrophobicContact CG-CD1 3.92Å; L69-I75 HydrophobicContact CD2-CD1 3.77Å; D72-I75 HydrophobicContact CB-CD1 3.97Å; D72-I75 HydrophobicContact CB-CG1 4.12Å; D72-I75 WeakPolarHBondContact O-CB 3.24Å; D72-I75 PolarHBondContact O-N 2.89Å; E73-I75 VanDerWaalsContact C-N 3.26Å; E73-I75 PolarHBondContact O-N 2.97Å; I75-L78 HydrophobicContact CG2-CB 4.13Å
76L97.3Very high89.8Confident58 Ų5872.9 Ų72.930%0.30437%0.374SS..EExtended strand (participates in β ladder)trans-116.2141.3179.5-56.5178.9000110.4H27 G28 K30 V36 L78H27-L76 WeakPolarHBondContact CB-O 3.27Å; G28-L76 PolarHBondContact N-O 2.83Å; G28-L76 PolarHBondContact O-N 2.71Å; K30-L76 HydrophobicContact CB-CD1 3.9Å; K30-L76 HydrophobicContact CD-CD1 4.36Å; V36-L76 HydrophobicContact CG1-CD1 4.25Å; V36-L76 HydrophobicContact CG2-CD1 3.92Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 3.07Å
77N96.3Very high88.1Confident136 Ų13678.2 Ų78.273%0.72740%0.398SS*.EExtended strand (participates in β ladder)trans52.244.6171.1-60.1-47.3000114.2K79N77-K79 PolarHBondContact O-N 3.34Å
78L97.4Very high86.7Confident50 Ų5084 Ų8426%0.26243%0.428SS..EExtended strand (participates in β ladder)trans-55.9126.2176179.666.2000111I25 H27 L69 I75 L76I25-L78 HydrophobicContact CB-CD1 4.22Å; I25-L78 HydrophobicContact CD1-CD1 4.13Å; H27-L78 HydrophobicContact CB-CB 4.43Å; H27-L78 HydrophobicContact CB-CD1 4.12Å; L69-L78 HydrophobicContact CB-CD2 4.01Å; I75-L78 HydrophobicContact CG2-CB 4.13Å; L76-L78 VanDerWaalsContact C-N 3.32Å; L76-L78 PolarHBondContact O-N 3.07Å
79K96Very high85.5Confident130 Ų13088.9 Ų88.957%0.56545%0.451SS*.EExtended strand (participates in β ladder)trans-128.5128.1176.6-66.4170.8-172.7175.30109.6I25 S26 N77I25-K79 CarbonylContact C-O 3.54Å; I25-K79 VanDerWaalsContact CA-O 3.27Å; I25-K79 WeakPolarHBondContact CA-O 3.43Å; S26-K79 PolarHBondContact N-O 3.36Å; S26-K79 PolarHBondContact O-N 2.94Å; N77-K79 PolarHBondContact O-N 3.34Å
80V94.5Very high84.3Confident41 Ų4190 Ų9025%0.24846%0.457CS..EExtended strand (participates in β ladder)trans-81.5121.1165.9-174.90000107.9I20 C23 I25I20-V80 HydrophobicContact CG2-CG2 3.86Å; C23-V80 HydrophobicContact CB-CG1 3.7Å; I25-V80 HydrophobicContact CG2-CG2 4.43Å
81L92Very high83.5Confident44 Ų4490.2 Ų90.223%0.2345%0.454CS..EExtended strand (participates in β ladder)trans-82.7146.7-179.1-57.2-179.2000109.6R24 H83R24-L81 HydrophobicContact CB-CB 3.9Å; R24-L81 HydrophobicContact CB-CD1 4.14Å; R24-L81 HydrophobicContact CB-CG 4.44Å; R24-L81 WeakPolarHBondContact O-CB 3.28Å; R24-L81 PolarHBondContact O-N 2.95Å; L81-H83 PolarHBondContact O-N 2.75Å; L81-H83 VanDerWaalsContact O-N 3.15Å
82P80.1Confident83.1Confident135 Ų13589.9 Ų89.988%0.87745%0.447SS*.EExtended strand (participates in β ladder)trans-67.2-17-17525.5-33.9000113.8K84P82-K84 PolarHBondContact O-N 2.95Å; P82-K84 VanDerWaalsContact O-N 3.14Å
83H72.2Confident82.7Confident117 Ų11793.1 Ų93.154%0.54247%0.467SS..EExtended strand (participates in β ladder)trans-76102.8179.1-160.3-31.9000109.8R24 L81R24-H83 WeakPolarHBondContact CG-O 3.05Å; R24-H83 PolarHBondContact N-O 2.77Å; L81-H83 PolarHBondContact O-N 2.75Å; L81-H83 VanDerWaalsContact O-N 3.15Å
84K69.5Low82.4Confident134 Ų13492 Ų9258%0.58346%0.462SS*.EExtended strand (participates in β ladder)trans-75.3132.9157.8-76-170.9173.8-170.50108.1P82 V86P82-K84 PolarHBondContact O-N 2.95Å; P82-K84 VanDerWaalsContact O-N 3.14Å; K84-V86 PolarHBondContact O-N 3.25Å
85V68.9Low82.1Confident33 Ų3390.4 Ų90.420%0.246%0.458CS..PPolyproline II helixtrans-65.6131.6179178.30000108.5G22 R24 I42 F87 L129G22-V85 PolarHBondContact O-N 3.05Å; R24-V85 HydrophobicContact CG-CG2 4.03Å; I42-V85 HydrophobicContact CD1-CB 4Å; I42-V85 HydrophobicContact CD1-CG1 4.47Å; I42-V85 HydrophobicContact CD1-CG2 3.5Å; I42-V85 HydrophobicContact CG1-CG2 4.19Å; V85-F87 PolarHBondContact O-N 3.36Å; V85-L129 HydrophobicContact CG1-CD2 3.92Å
86V64.4Low81.8Confident109 Ų10989.7 Ų89.766%0.66145%0.454SS*.PPolyproline II helixtrans-74.4124.5178.6179.90000107.7K84 L88K84-V86 PolarHBondContact O-N 3.25Å; V86-L88 PolarHBondContact O-N 2.91Å
87F62.4Low81.5Confident114 Ų11490.7 Ų90.750%0.547%0.466SS..  trans-72.5108.2178-44.9-70.4000108.7V85 F128V85-F87 PolarHBondContact O-N 3.36Å; F87-F128 HydrophobicContact CD1-CB 3.7Å; F87-F128 AromaticContact CD1-CD1 3.96Å; F87-F128 HydrophobicContact CD1-CD1 3.96Å; F87-F128 HydrophobicContact CD1-CG 4.29Å; F87-F128 WeakPolarHBondContact CD1-O 3.49Å; F87-F128 HydrophobicContact CE1-CB 3.51Å; F87-F128 AromaticContact CE1-CD1 3.25Å; F87-F128 HydrophobicContact CE1-CD1 3.25Å; F87-F128 HydrophobicContact CE1-CE1 4.3Å; F87-F128 AromaticContact CE1-CG 3.69Å; F87-F128 HydrophobicContact CE1-CG 3.69Å; F87-F128 AromaticContact CZ-CD1 4Å; F87-F128 HydrophobicContact CZ-CD1 4Å
88L66.2Low81.2Confident124 Ų12486.6 Ų86.665%0.64945%0.452SS*.PPolyproline II helixtrans-76148.7169.6-76.1159.4000109.2V86 Q130V86-L88 PolarHBondContact O-N 2.91Å; L88-Q130 WeakPolarHBondContact O-CB 3.4Å; L88-Q130 VanDerWaalsContact O-CG 3.31Å; L88-Q130 WeakPolarHBondContact O-CG 3.36Å; L88-Q130 PolarHBondContact O-OE1 3.04Å
89Q69.5Low81Confident172 Ų17284.2 Ų84.280%0.80444%0.439SS*.PPolyproline II helixtrans-71.3140.7170.9-77.2-171.9-16.500110.3R91Q89-R91 PolarHBondContact O-N 3.41Å
90V70.8Confident80.8Confident27 Ų2779.8 Ų79.816%0.16442%0.423CS..PPolyproline II helixtrans-56.1125.5175.1-172.40000107.5D92 V93 A96 Q130 L149V90-D92 VanDerWaalsContact C-N 3.33Å; V90-D92 PolarHBondContact O-N 2.91Å; V90-V93 HydrophobicContact CB-CG2 4.01Å; V90-V93 HydrophobicContact CG1-CG2 4.31Å; V90-A96 HydrophobicContact CG1-CB 3.88Å; V90-Q130 HydrophobicContact CB-CB 4.4Å; V90-Q130 HydrophobicContact CG2-CB 3.67Å; V90-Q130 HydrophobicContact CG2-CG 3.88Å; V90-Q130 VanDerWaalsContact CG2-OE1 3.28Å; V90-L149 HydrophobicContact CG1-CD1 4.35Å
91R77Confident80.7Confident121 Ų12179.5 Ų79.546%0.45742%0.422SS..SBendtrans-68.2-33.3-178.7-70.8178.3-74.3158.51.1113Q89 D131 D150Q89-R91 PolarHBondContact O-N 3.41Å; R91-D131 IonicContact CZ-OD2 3.48Å; R91-D131 PolarHBondContact N-OD1 2.87Å; R91-D131 IonicContact NE-OD1 3.69Å; R91-D131 IonicContact NE-OD2 2.67Å; R91-D131 PolarHBondContact NE-OD2 2.76Å; R91-D131 IonicContact NH2-OD2 3.22Å; R91-D131 PolarHBondContact NH2-OD2 2.8Å; R91-D150 IonicContact CZ-OD1 3.71Å; R91-D150 VanDerWaalsContact CZ-OD1 3.22Å; R91-D150 IonicContact CZ-OD2 3.6Å; R91-D150 IonicContact NH1-OD1 3.5Å; R91-D150 PolarHBondContact NH1-OD1 2.88Å; R91-D150 IonicContact NH1-OD2 2.88Å; R91-D150 IonicContact NH2-OD1 2.73Å; R91-D150 PolarHBondContact NH2-OD1 3.45Å; R91-D150 IonicContact NH2-OD2 3.18Å; R91-D150 PolarHBondContact NH2-OD2 2.67Å
92D85.9Confident80.8Confident57 Ų5780.3 Ų80.331%0.30542%0.423SS..  trans-143.694.4179.6-169.4-25.5000110.6V90 H94 L95 A96V90-D92 VanDerWaalsContact C-N 3.33Å; V90-D92 PolarHBondContact O-N 2.91Å; D92-H94 VanDerWaalsContact C-N 3.32Å; D92-H94 PolarHBondContact O-N 3Å; D92-H94 PolarHBondContact OD1-N 2.74Å; D92-L95 HydrophobicContact CB-CB 4.05Å; D92-L95 VanDerWaalsContact CG-CB 3.41Å; D92-L95 WeakPolarHBondContact OD1-CB 3.28Å; D92-L95 PolarHBondContact OD1-N 3.26Å; D92-L95 WeakPolarHBondContact OD2-CB 3.34Å; D92-A96 WeakPolarHBondContact O-CB 3.33Å; D92-A96 PolarHBondContact O-N 3.32Å
93V86.8Confident81.5Confident95 Ų9577.7 Ų77.758%0.57640%0.398SS*.Hα-helixtrans-65.6-36.4-177.1-179.30000111.6V90 S97V90-V93 HydrophobicContact CB-CG2 4.01Å; V90-V93 HydrophobicContact CG1-CG2 4.31Å; V93-S97 WeakPolarHBondContact O-CB 3.41Å; V93-S97 PolarHBondContact O-N 2.74Å; V93-S97 PolarHBondContact O-OG 2.95Å
94H90.1Very high82.7Confident157 Ų15772.1 Ų72.173%0.72737%0.373SS*.Hα-helixtrans-69.2-49-178.3-69.9-64.1000110.7D92 A96 S97 A98D92-H94 VanDerWaalsContact C-N 3.32Å; D92-H94 PolarHBondContact O-N 3Å; D92-H94 PolarHBondContact OD1-N 2.74Å; H94-A96 VanDerWaalsContact C-N 3.34Å; H94-A96 PolarHBondContact O-N 3.42Å; H94-S97 PolarHBondContact O-N 3.33Å; H94-S97 PolarHBondContact O-OG 3.47Å; H94-A98 WeakPolarHBondContact O-CB 3.42Å; H94-A98 PolarHBondContact O-N 3.39Å
95L90.2Very high84Confident26 Ų2669.6 Ų69.614%0.13636%0.363CS..Hα-helixtrans-62.8-42175.6-177.858.9000111.6D92 S97 A98 L99 L149 Y152D92-L95 HydrophobicContact CB-CB 4.05Å; D92-L95 VanDerWaalsContact CG-CB 3.41Å; D92-L95 WeakPolarHBondContact OD1-CB 3.28Å; D92-L95 PolarHBondContact OD1-N 3.26Å; D92-L95 WeakPolarHBondContact OD2-CB 3.34Å; L95-S97 VanDerWaalsContact C-N 3.32Å; L95-S97 PolarHBondContact O-N 3.49Å; L95-A98 PolarHBondContact O-N 2.95Å; L95-A98 VanDerWaalsContact O-N 3.15Å; L95-L99 HydrophobicContact CD1-CG 4.39Å; L95-L99 HydrophobicContact CG-CD1 4.37Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 2.88Å; L95-L149 HydrophobicContact CB-CD2 4.04Å; L95-L149 HydrophobicContact CD2-CD2 3.7Å; L95-L149 HydrophobicContact CG-CD2 3.61Å; L95-Y152 HydrophobicContact CD1-CD1 4.02Å; L95-Y152 HydrophobicContact CD1-CE1 3.89Å; L95-Y152 HydrophobicContact CD1-CE2 4.49Å; L95-Y152 HydrophobicContact CD1-CG 4.38Å; L95-Y152 HydrophobicContact CD2-CD1 3.62Å; L95-Y152 HydrophobicContact CD2-CE1 4.08Å; L95-Y152 HydrophobicContact CD2-CG 4.25Å; L95-Y152 HydrophobicContact CG-CD1 4.44Å
96A91.1Very high85.4Confident3 Ų368.2 Ų68.23%0.02535%0.354CS..Hα-helixtrans-57.2-46175.900000111.8V90 D92 H94 A98 L99 F133 L149V90-A96 HydrophobicContact CG1-CB 3.88Å; D92-A96 WeakPolarHBondContact O-CB 3.33Å; D92-A96 PolarHBondContact O-N 3.32Å; H94-A96 VanDerWaalsContact C-N 3.34Å; H94-A96 PolarHBondContact O-N 3.42Å; A96-A98 VanDerWaalsContact C-N 3.34Å; A96-A98 PolarHBondContact O-N 3.29Å; A96-L99 PolarHBondContact O-N 3.05Å; A96-F133 HydrophobicContact CB-CE1 4.08Å; A96-F133 HydrophobicContact CB-CZ 3.68Å; A96-L149 HydrophobicContact CB-CD2 4.4Å
97S89.6Confident86.9Confident79 Ų7965.6 Ų65.655%0.55233%0.334SS*.Hα-helixtrans-65.5-36.6176.970.90000112.8V93 H94 L95 L99V93-S97 WeakPolarHBondContact O-CB 3.41Å; V93-S97 PolarHBondContact O-N 2.74Å; V93-S97 PolarHBondContact O-OG 2.95Å; H94-S97 PolarHBondContact O-N 3.33Å; H94-S97 PolarHBondContact O-OG 3.47Å; L95-S97 VanDerWaalsContact C-N 3.32Å; L95-S97 PolarHBondContact O-N 3.49Å; S97-L99 VanDerWaalsContact C-N 3.32Å; S97-L99 PolarHBondContact O-N 3.15Å
98A91.2Very high88.5Confident51 Ų5162.6 Ų62.642%0.42132%0.321SS..Hα-helixtrans-72.1-24.6-179.500000113.2H94 L95 A96 R102H94-A98 WeakPolarHBondContact O-CB 3.42Å; H94-A98 PolarHBondContact O-N 3.39Å; L95-A98 PolarHBondContact O-N 2.95Å; L95-A98 VanDerWaalsContact O-N 3.15Å; A96-A98 VanDerWaalsContact C-N 3.34Å; A96-A98 PolarHBondContact O-N 3.29Å; A98-R102 WeakPolarHBondContact O-CG 3.45Å
99L93.1Very high89.7Confident0 Ų064.2 Ų64.20%033%0.325CS..Hα-helixtrans-76.8-33.3177.5-77.2171.3000112.8L95 A96 S97 S101 R102 V122 F133 L148 L149 L157 I159L95-L99 HydrophobicContact CD1-CG 4.39Å; L95-L99 HydrophobicContact CG-CD1 4.37Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 2.88Å; A96-L99 PolarHBondContact O-N 3.05Å; S97-L99 VanDerWaalsContact C-N 3.32Å; S97-L99 PolarHBondContact O-N 3.15Å; L99-S101 PolarHBondContact O-N 2.82Å; L99-R102 VanDerWaalsContact O-CB 3.29Å; L99-R102 WeakPolarHBondContact O-CB 3.4Å; L99-R102 WeakPolarHBondContact O-CG 3.5Å; L99-R102 PolarHBondContact O-N 3.41Å; L99-R102 VanDerWaalsContact O-N 3.17Å; L99-V122 HydrophobicContact CB-CG1 4.44Å; L99-V122 VanDerWaalsContact O-CB 3.23Å; L99-V122 WeakPolarHBondContact O-CB 3.31Å; L99-F133 HydrophobicContact CB-CE1 4.45Å; L99-F133 HydrophobicContact CD1-CZ 4.45Å; L99-L148 HydrophobicContact CD1-CB 4.33Å; L99-L149 HydrophobicContact CD1-CD2 3.75Å; L99-L157 HydrophobicContact CD2-CD2 3.92Å; L99-I159 HydrophobicContact CD2-CD1 3.86Å; L99-I159 HydrophobicContact CD2-CG1 3.85Å
100V92.4Very high90.5Very high37 Ų3757.5 Ų57.522%0.22430%0.302CS..THydrogen-bonded Turntrans-62.5138.2-174.3175.40000111.2R102 F133 A202V100-R102 PolarHBondContact O-N 2.81Å; V100-F133 HydrophobicContact CG2-CE1 4.5Å; V100-A202 HydrophobicContact CG1-CB 3.49Å; V100-A202 VanDerWaalsContact CG1-CB 3.49Å
101S91.9Very high91.4Very high34 Ų3467 Ų6724%0.23834%0.341CS..THydrogen-bonded Turntrans63.710.7-175.8-164.50000115.5L99 V122L99-S101 PolarHBondContact O-N 2.82Å; S101-V122 WeakPolarHBondContact CA-O 3.49Å; S101-V122 PolarHBondContact N-O 3.22Å
102R94Very high92Very high62 Ų6267.6 Ų67.623%0.23435%0.353CS..  trans-88.3141.6176.6-59.5-61.8-69.1-166.4-9.6111.9A98 L99 V100 V104 M121 V122 I159 E162A98-R102 WeakPolarHBondContact O-CG 3.45Å; L99-R102 VanDerWaalsContact O-CB 3.29Å; L99-R102 WeakPolarHBondContact O-CB 3.4Å; L99-R102 WeakPolarHBondContact O-CG 3.5Å; L99-R102 PolarHBondContact O-N 3.41Å; L99-R102 VanDerWaalsContact O-N 3.17Å; V100-R102 PolarHBondContact O-N 2.81Å; R102-V104 HydrophobicContact CB-CG1 4.49Å; R102-M121 WeakPolarHBondContact O-CA 3.4Å; R102-V122 PolarHBondContact O-N 3.49Å; R102-I159 HydrophobicContact CB-CG2 4.11Å; R102-I159 HydrophobicContact CG-CG2 4.2Å; R102-I159 VanDerWaalsContact NE-CG2 3.32Å; R102-E162 IonicContact CZ-OE1 2.69Å; R102-E162 IonicContact NE-OE1 3.07Å; R102-E162 IonicContact NH1-OE1 2.74Å; R102-E162 PolarHBondContact NH1-OE1 3.29Å; R102-E162 IonicContact NH1-OE2 2.68Å; R102-E162 PolarHBondContact NH1-OE2 2.8Å
103E94.9Very high92.1Very high79 Ų7966.7 Ų66.737%0.36936%0.358SS..EExtended strand (participates in β ladder)trans-70.7139.4159.1-70.5-153.8157.400110.1G120 K138 I160E103-G120 CarbonylContact C-O 3.06Å; E103-G120 WeakPolarHBondContact CA-O 3.36Å; E103-K138 VanDerWaalsContact CD-NZ 3.31Å; E103-K138 WeakPolarHBondContact OE1-CE 3.43Å; E103-K138 IonicContact OE1-NZ 3.07Å; E103-K138 PolarHBondContact OE1-NZ 3.48Å; E103-K138 IonicContact OE2-NZ 3.29Å; E103-K138 PolarHBondContact OE2-NZ 3.01Å; E103-I160 HydrophobicContact CB-CB 4.19Å; E103-I160 HydrophobicContact CB-CD1 4.25Å; E103-I160 PolarHBondContact O-N 3.4Å
104V96.7Very high92.3Very high0 Ų065 Ų650%035%0.349CS..EExtended strand (participates in β ladder)trans-137.3152.9-176-64.10000111.2R102 S119 G120 V122 I135 L157 H158 I159R102-V104 HydrophobicContact CB-CG1 4.49Å; V104-S119 CarbonylContact O-C 3.59Å; V104-S119 WeakPolarHBondContact O-CA 3.49Å; V104-G120 PolarHBondContact N-O 3.13Å; V104-G120 PolarHBondContact O-N 2.84Å; V104-V122 HydrophobicContact CG1-CG2 3.84Å; V104-V122 HydrophobicContact CG2-CG2 4.13Å; V104-I135 HydrophobicContact CG2-CD1 3.73Å; V104-L157 HydrophobicContact CB-CD1 3.91Å; V104-L157 HydrophobicContact CB-CG 4.39Å; V104-L157 HydrophobicContact CG1-CD1 4.36Å; V104-L157 HydrophobicContact CG1-CG 4.43Å; V104-L157 HydrophobicContact CG2-CD1 3.92Å; V104-H158 CarbonylContact C-O 3.48Å; V104-H158 WeakPolarHBondContact CA-O 3.28Å; V104-H158 WeakPolarHBondContact CB-O 3.47Å; V104-I159 HydrophobicContact CG1-CG1 4.48Å
105Q97.5Very high92.4Very high82 Ų8263.4 Ų63.438%0.38334%0.342SS..EExtended strand (participates in β ladder)trans-100.5123.6156.5-75-171.8-21.500108.5H158 I160Q105-H158 PolarHBondContact N-O 3.38Å; Q105-H158 PolarHBondContact O-N 2.69Å; Q105-I160 HydrophobicContact CG-CD1 3.92Å; Q105-I160 HydrophobicContact CG-CG1 4.18Å
106H97.7Very high92.5Very high4 Ų465.4 Ų65.42%0.01935%0.353CS..EExtended strand (participates in β ladder)trans-111.4119.4176.7-165.3178.2000109.1F108 W118 Y137 D151 N156 L157H106-F108 HydrophobicContact CB-CE2 3.91Å; H106-F108 HydrophobicContact CB-CZ 4.35Å; H106-F108 AromaticContact CE1-CE1 3.93Å; H106-F108 AromaticContact CE1-CZ 3.63Å; H106-F108 AromaticContact CG-CE2 3.74Å; H106-F108 AromaticContact CG-CZ 3.73Å; H106-F108 AromaticContact ND1-CE2 3.81Å; H106-F108 AromaticContact ND1-CZ 3.33Å; H106-F108 VanDerWaalsContact ND1-CZ 3.33Å; H106-F108 WeakPolarHBondContact ND1-CZ 3.46Å; H106-F108 WeakPolarHBondContact O-CD2 3.47Å; H106-W118 PolarHBondContact N-O 3.01Å; H106-W118 PolarHBondContact O-N 2.95Å; H106-Y137 HydrophobicContact CB-CE1 3.89Å; H106-Y137 AromaticContact ND1-CE1 3.94Å; H106-Y137 AromaticContact ND1-CZ 3.79Å; H106-Y137 PolarHBondContact ND1-OH 2.81Å; H106-D151 IonicContact CE1-OD2 2.7Å; H106-D151 IonicContact NE2-OD2 3.44Å; H106-D151 PolarHBondContact NE2-OD2 2.92Å; H106-N156 PolarHBondContact CD2-O 3.09Å; H106-L157 HydrophobicContact CB-CD1 3.72Å
107K96.9Very high92.6Very high54 Ų5468.5 Ų68.524%0.23537%0.37CS..EExtended strand (participates in β ladder)trans-82.4133.3177.5-178.7-178.3-94.4-166.90110.2E115 D116 N117 N156K107-E115 HydrophobicContact CD-CB 4.48Å; K107-E115 HydrophobicContact CD-CG 4.31Å; K107-E115 WeakPolarHBondContact CE-OE1 3.26Å; K107-E115 WeakPolarHBondContact CE-OE2 3.25Å; K107-E115 HydrophobicContact CG-CB 4.41Å; K107-E115 IonicContact NZ-OE1 2.95Å; K107-E115 PolarHBondContact NZ-OE1 3.42Å; K107-E115 IonicContact NZ-OE2 2.77Å; K107-E115 PolarHBondContact NZ-OE2 3.03Å; K107-D116 WeakPolarHBondContact CA-O 3.41Å; K107-N117 WeakPolarHBondContact CA-OD1 3.28Å; K107-N117 WeakPolarHBondContact CB-OD1 3.34Å; K107-N156 HydrophobicContact CB-CB 4.37Å; K107-N156 WeakPolarHBondContact CB-O 3.46Å; K107-N156 PolarHBondContact N-O 2.71Å
108F94.3Very high92.9Very high51 Ų5167.8 Ų67.822%0.22436%0.355CS..EExtended strand (participates in β ladder)trans-124146.4172.9-65.8-83.1000110.3H106 E115 D116 W118 Y137H106-F108 HydrophobicContact CB-CE2 3.91Å; H106-F108 HydrophobicContact CB-CZ 4.35Å; H106-F108 AromaticContact CE1-CE1 3.93Å; H106-F108 AromaticContact CE1-CZ 3.63Å; H106-F108 AromaticContact CG-CE2 3.74Å; H106-F108 AromaticContact CG-CZ 3.73Å; H106-F108 AromaticContact ND1-CE2 3.81Å; H106-F108 AromaticContact ND1-CZ 3.33Å; H106-F108 VanDerWaalsContact ND1-CZ 3.33Å; H106-F108 WeakPolarHBondContact ND1-CZ 3.46Å; H106-F108 WeakPolarHBondContact O-CD2 3.47Å; F108-E115 CarbonylContact O-C 3.18Å; F108-E115 WeakPolarHBondContact O-CA 3.17Å; F108-D116 PolarHBondContact N-O 3.24Å; F108-D116 PolarHBondContact O-N 2.95Å; F108-W118 HydrophobicContact CD2-CB 4.19Å; F108-W118 HydrophobicContact CD2-CD2 4.32Å; F108-W118 AromaticContact CD2-CG 3.95Å; F108-W118 HydrophobicContact CD2-CG 3.95Å; F108-W118 HydrophobicContact CE2-CB 3.93Å; F108-W118 HydrophobicContact CE2-CD2 4.25Å; F108-W118 HydrophobicContact CE2-CE3 4.49Å; F108-W118 HydrophobicContact CE2-CG 4.01Å; F108-Y137 HydrophobicContact CE2-CE1 4.19Å; F108-Y137 HydrophobicContact CZ-CE1 4.31Å; F108-Y137 HydrophobicContact CZ-CE2 4.32Å; F108-Y137 AromaticContact CZ-CZ 3.79Å; F108-Y137 WeakPolarHBondContact CZ-OH 3.32Å
109E92.4Very high93.2Very high158 Ų15867 Ų6774%0.73835%0.347SS*.EExtended strand (participates in β ladder)trans-101.5124.6173.4-165.8-179.2175.500110.3
110G86.9Confident93.4Very high30 Ų3067.1 Ų67.131%0.30935%0.348SS..  trans-73.9166.9173.200000112.3D112 G113 S114G110-D112 PolarHBondContact O-N 3.5Å; G110-D112 VanDerWaalsContact O-N 3.13Å; G110-G113 PolarHBondContact O-N 3.14Å; G110-S114 PolarHBondContact N-O 2.96Å
111K88Confident93.5Very high228 Ų22866.9 Ų66.999%0.99134%0.344SS*.THydrogen-bonded Turntrans-62.7-21.9-180-67.1-176.9-179.7177.40113.9
112D91.3Very high93.7Very high132 Ų13265.2 Ų65.271%0.70633%0.333SS*.THydrogen-bonded Turntrans-93.94.5177.460.6-11.8000112.9G110 S114G110-D112 PolarHBondContact O-N 3.5Å; G110-D112 VanDerWaalsContact O-N 3.13Å; D112-S114 VanDerWaalsContact C-N 3.27Å; D112-S114 VanDerWaalsContact OD1-CB 3.27Å; D112-S114 WeakPolarHBondContact OD1-CB 3.48Å; D112-S114 PolarHBondContact OD1-N 2.93Å; D112-S114 VanDerWaalsContact OD1-N 3.09Å; D112-S114 PolarHBondContact OD1-OG 2.94Å
113G88.1Confident93.7Very high39 Ų3962.6 Ų62.640%0.40232%0.324SS..SBendtrans79.35.3-174.800000113.9G110G110-G113 PolarHBondContact O-N 3.14Å
114S90.1Very high93.6Very high58 Ų5860.4 Ų60.441%0.40632%0.319SS..  trans-67.5136.5173.3620000110.5G110 D112G110-S114 PolarHBondContact N-O 2.96Å; D112-S114 VanDerWaalsContact C-N 3.27Å; D112-S114 VanDerWaalsContact OD1-CB 3.27Å; D112-S114 WeakPolarHBondContact OD1-CB 3.48Å; D112-S114 PolarHBondContact OD1-N 2.93Å; D112-S114 VanDerWaalsContact OD1-N 3.09Å; D112-S114 PolarHBondContact OD1-OG 2.94Å
115E91.3Very high93.3Very high124 Ų12463.9 Ų63.958%0.57934%0.335SS*.EExtended strand (participates in β ladder)trans-93.7131.1175.4-60.6-176.914500109.9K107 F108K107-E115 HydrophobicContact CD-CB 4.48Å; K107-E115 HydrophobicContact CD-CG 4.31Å; K107-E115 WeakPolarHBondContact CE-OE1 3.26Å; K107-E115 WeakPolarHBondContact CE-OE2 3.25Å; K107-E115 HydrophobicContact CG-CB 4.41Å; K107-E115 IonicContact NZ-OE1 2.95Å; K107-E115 PolarHBondContact NZ-OE1 3.42Å; K107-E115 IonicContact NZ-OE2 2.77Å; K107-E115 PolarHBondContact NZ-OE2 3.03Å; F108-E115 CarbonylContact O-C 3.18Å; F108-E115 WeakPolarHBondContact O-CA 3.17Å
116D92.4Very high92.6Very high68 Ų6860.3 Ų60.336%0.36432%0.32SS..EExtended strand (participates in β ladder)trans-120.7136.1169.9-167.96.7000109.9K107 F108 W118 K139K107-D116 WeakPolarHBondContact CA-O 3.41Å; F108-D116 PolarHBondContact N-O 3.24Å; F108-D116 PolarHBondContact O-N 2.95Å; D116-W118 VanDerWaalsContact CG-NE1 3.33Å; D116-W118 PolarHBondContact OD2-NE1 3.24Å; D116-K139 IonicContact OD1-NZ 3.58Å; D116-K139 PolarHBondContact OD1-NZ 2.79Å; D116-K139 IonicContact OD2-NZ 3.62Å; D116-K139 PolarHBondContact OD2-NZ 2.6Å
117N94.1Very high91.4Very high69 Ų6962.1 Ų62.137%0.36933%0.332SS..EExtended strand (participates in β ladder)trans-106.3118179.4-69.2-53.6000109.4K107K107-N117 WeakPolarHBondContact CA-OD1 3.28Å; K107-N117 WeakPolarHBondContact CB-OD1 3.34Å
118W96.8Very high90.1Very high63 Ų6363.2 Ų63.224%0.23934%0.337CS..EExtended strand (participates in β ladder)trans-103.1121.3-179.3-73.231.9000109.3H106 F108 D116 Y137 D140H106-W118 PolarHBondContact N-O 3.01Å; H106-W118 PolarHBondContact O-N 2.95Å; F108-W118 HydrophobicContact CD2-CB 4.19Å; F108-W118 HydrophobicContact CD2-CD2 4.32Å; F108-W118 AromaticContact CD2-CG 3.95Å; F108-W118 HydrophobicContact CD2-CG 3.95Å; F108-W118 HydrophobicContact CE2-CB 3.93Å; F108-W118 HydrophobicContact CE2-CD2 4.25Å; F108-W118 HydrophobicContact CE2-CE3 4.49Å; F108-W118 HydrophobicContact CE2-CG 4.01Å; D116-W118 VanDerWaalsContact CG-NE1 3.33Å; D116-W118 PolarHBondContact OD2-NE1 3.24Å; W118-Y137 HydrophobicContact CB-CD1 3.82Å; W118-Y137 HydrophobicContact CB-CE1 4.32Å; W118-Y137 HydrophobicContact CB-CG 4.32Å; W118-Y137 HydrophobicContact CE3-CD1 4.28Å; W118-Y137 AromaticContact CE3-CD2 3.77Å; W118-Y137 HydrophobicContact CE3-CD2 3.77Å; W118-Y137 HydrophobicContact CE3-CE2 4.44Å; W118-Y137 AromaticContact CE3-CG 3.69Å; W118-Y137 HydrophobicContact CE3-CG 3.69Å; W118-Y137 HydrophobicContact CZ3-CD2 4.19Å; W118-Y137 HydrophobicContact CZ3-CG 4.46Å; W118-D140 HydrophobicContact CH2-CB 4.45Å; W118-D140 HydrophobicContact CZ3-CB 3.92Å
119S96.6Very high89Confident36 Ų3662 Ų6225%0.25233%0.333SS..EExtended strand (participates in β ladder)trans-76.4129.2170.3-59.60000109.5V104 Y137 K138V104-S119 CarbonylContact O-C 3.59Å; V104-S119 WeakPolarHBondContact O-CA 3.49Å; S119-Y137 WeakPolarHBondContact O-CA 3.33Å; S119-K138 PolarHBondContact O-N 2.9Å
120G96Very high87.9Confident2 Ų257.8 Ų57.82%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-148.8-174.1-179.600000112.5E103 V104 S136E103-G120 CarbonylContact C-O 3.06Å; E103-G120 WeakPolarHBondContact CA-O 3.36Å; V104-G120 PolarHBondContact N-O 3.13Å; V104-G120 PolarHBondContact O-N 2.84Å; G120-S136 CarbonylContact C-O 3.54Å; G120-S136 WeakPolarHBondContact CA-O 3.17Å
121M95.9Very high87.7Confident31 Ų3157.1 Ų57.115%0.15330%0.303CS..EExtended strand (participates in β ladder)trans-135.4130.3176179.216753.600110.1R102 L123 I135 S136 V206R102-M121 WeakPolarHBondContact O-CA 3.4Å; M121-L123 HydrophobicContact CE-CD2 4.02Å; M121-L123 HydrophobicContact CG-CD2 4.34Å; M121-L123 PolarHBondContact O-N 3.4Å; M121-I135 WeakPolarHBondContact O-CA 3.39Å; M121-I135 WeakPolarHBondContact O-CG1 3.5Å; M121-S136 PolarHBondContact N-O 2.82Å; M121-S136 PolarHBondContact O-N 3.48Å; M121-V206 HydrophobicContact CE-CB 4.47Å; M121-V206 HydrophobicContact CE-CG1 4.33Å; M121-V206 HydrophobicContact CE-CG2 3.38Å
122V95.9Very high87.8Confident0 Ų049.1 Ų49.10%027%0.266CS..EExtended strand (participates in β ladder)trans-77.2122173.1-175.40000108.1L99 S101 R102 V104 F133 I135 L148L99-V122 HydrophobicContact CB-CG1 4.44Å; L99-V122 VanDerWaalsContact O-CB 3.23Å; L99-V122 WeakPolarHBondContact O-CB 3.31Å; S101-V122 WeakPolarHBondContact CA-O 3.49Å; S101-V122 PolarHBondContact N-O 3.22Å; R102-V122 PolarHBondContact O-N 3.49Å; V104-V122 HydrophobicContact CG1-CG2 3.84Å; V104-V122 HydrophobicContact CG2-CG2 4.13Å; V122-F133 HydrophobicContact CG1-CB 4.11Å; V122-F133 HydrophobicContact CG1-CD1 3.91Å; V122-F133 HydrophobicContact CG1-CG 4.38Å; V122-I135 HydrophobicContact CG2-CD1 4.33Å; V122-L148 HydrophobicContact CB-CD1 4.41Å; V122-L148 HydrophobicContact CG1-CD1 4.01Å; V122-L148 HydrophobicContact CG2-CD1 3.6Å
123L94.8Very high87.9Confident7 Ų742.8 Ų42.84%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-94.4-44.6-167.2-57.2170.3000111.9M121 Y134 L143 V206 F208 V219M121-L123 HydrophobicContact CE-CD2 4.02Å; M121-L123 HydrophobicContact CG-CD2 4.34Å; M121-L123 PolarHBondContact O-N 3.4Å; L123-Y134 PolarHBondContact N-O 3.37Å; L123-L143 HydrophobicContact CD1-CD1 3.52Å; L123-V206 HydrophobicContact CD2-CG1 3.95Å; L123-F208 HydrophobicContact CD1-CE1 3.93Å; L123-F208 HydrophobicContact CD1-CZ 4.14Å; L123-V219 HydrophobicContact CD1-CB 4.46Å; L123-V219 HydrophobicContact CD1-CG1 3.89Å; L123-V219 HydrophobicContact CD1-CG2 3.88Å; L123-V219 HydrophobicContact CD2-CG1 3.96Å
124A92.1Very high88.3Confident33 Ų3341.7 Ų41.727%0.27322%0.217SC..EExtended strand (participates in β ladder)trans-166.9160.8-178.800000109.8F133 Y134A124-F133 CarbonylContact O-C 3.17Å; A124-F133 WeakPolarHBondContact O-CA 3.21Å; A124-Y134 HydrophobicContact CB-CD2 4.35Å; A124-Y134 PolarHBondContact O-N 3.39Å
125Q89.6Confident88.6Confident73 Ų7339 Ų3934%0.34120%0.197SC..EExtended strand (participates in β ladder)trans-69.3136.4162.9-165.9172.420.900109.6Q130 F133Q125-Q130 PolarHBondContact NE2-O 3.12Å; Q125-F133 HydrophobicContact CB-CD1 4.43Å; Q125-F133 HydrophobicContact CB-CE1 4.35Å; Q125-F133 HydrophobicContact CG-CE1 4.26Å; Q125-F133 HydrophobicContact CG-CZ 4.47Å
126G82.4Confident88.9Confident7 Ų733.5 Ų33.57%0.07217%0.173CC..PPolyproline II helixtrans-65.2140.3-179.800000111.4Y132G126-Y132 WeakPolarHBondContact CA-O 3.17Å; G126-Y132 PolarHBondContact N-O 2.88Å
127P73.6Confident89.1Confident42 Ų4230.5 Ų30.527%0.27316%0.157SC..SBendtrans-67.9137.9176.630.8-35.7000109.4L44 L129 Y134L44-P127 HydrophobicContact CB-CG 4.23Å; L44-P127 WeakPolarHBondContact O-CG 3.42Å; P127-L129 PolarHBondContact O-N 3.11Å; P127-Y134 WeakPolarHBondContact CD-OH 3.35Å; P127-Y134 HydrophobicContact CG-CE2 4.45Å
128F70.3Confident89.1Confident77 Ų7733.4 Ų33.434%0.33817%0.166SC..SBendtrans69.9-26.9175.4-47.6-61.3000116.7V21 L44 F87V21-F128 HydrophobicContact CG1-CD2 4.21Å; V21-F128 HydrophobicContact CG1-CE2 3.21Å; V21-F128 HydrophobicContact CG1-CZ 3.6Å; L44-F128 VanDerWaalsContact O-CE2 3.32Å; L44-F128 WeakPolarHBondContact O-CE2 3.06Å; F87-F128 HydrophobicContact CD1-CB 3.7Å; F87-F128 AromaticContact CD1-CD1 3.96Å; F87-F128 HydrophobicContact CD1-CD1 3.96Å; F87-F128 HydrophobicContact CD1-CG 4.29Å; F87-F128 WeakPolarHBondContact CD1-O 3.49Å; F87-F128 HydrophobicContact CE1-CB 3.51Å; F87-F128 AromaticContact CE1-CD1 3.25Å; F87-F128 HydrophobicContact CE1-CD1 3.25Å; F87-F128 HydrophobicContact CE1-CE1 4.3Å; F87-F128 AromaticContact CE1-CG 3.69Å; F87-F128 HydrophobicContact CE1-CG 3.69Å; F87-F128 AromaticContact CZ-CD1 4Å; F87-F128 HydrophobicContact CZ-CD1 4Å
129L69.8Low89Confident26 Ų2636.7 Ų36.714%0.13618%0.182CC..  trans-104.182.2-179.4-67.9175.8000107.8I42 L44 V85 P127 D131 Y132I42-L129 HydrophobicContact CD1-CD1 4.29Å; I42-L129 HydrophobicContact CD1-CD2 4.38Å; I42-L129 HydrophobicContact CD1-CG 4.39Å; L44-L129 HydrophobicContact CD2-CD1 3.85Å; V85-L129 HydrophobicContact CG1-CD2 3.92Å; P127-L129 PolarHBondContact O-N 3.11Å; L129-D131 PolarHBondContact O-N 3.49Å; L129-Y132 HydrophobicContact CB-CD2 3.53Å; L129-Y132 HydrophobicContact CB-CE2 4.35Å; L129-Y132 HydrophobicContact CB-CG 3.87Å; L129-Y132 HydrophobicContact CD1-CD2 4.19Å; L129-Y132 HydrophobicContact CD1-CE2 4.49Å; L129-Y132 HydrophobicContact CD1-CG 4.21Å; L129-Y132 HydrophobicContact CD2-CD2 4.35Å; L129-Y132 HydrophobicContact CD2-CE2 4.35Å; L129-Y132 HydrophobicContact CG-CD2 4.24Å; L129-Y132 WeakPolarHBondContact O-CB 3.25Å; L129-Y132 PolarHBondContact O-N 2.92Å
130Q70.6Confident89Confident69 Ų6937.6 Ų37.632%0.32218%0.184SC..THydrogen-bonded Turntrans-60.1-22.7-166.8-82.2-171.223.100114.9L88 V90 Q125L88-Q130 WeakPolarHBondContact O-CB 3.4Å; L88-Q130 VanDerWaalsContact O-CG 3.31Å; L88-Q130 WeakPolarHBondContact O-CG 3.36Å; L88-Q130 PolarHBondContact O-OE1 3.04Å; V90-Q130 HydrophobicContact CB-CB 4.4Å; V90-Q130 HydrophobicContact CG2-CB 3.67Å; V90-Q130 HydrophobicContact CG2-CG 3.88Å; V90-Q130 VanDerWaalsContact CG2-OE1 3.28Å; Q125-Q130 PolarHBondContact NE2-O 3.12Å
131D81.2Confident88.9Confident15 Ų1539.1 Ų39.18%0.0819%0.193CC..THydrogen-bonded Turntrans-95.7-0.1174.3-66.7-25.6000113.7R91 L129 F133 Q147R91-D131 IonicContact CZ-OD2 3.48Å; R91-D131 PolarHBondContact N-OD1 2.87Å; R91-D131 IonicContact NE-OD1 3.69Å; R91-D131 IonicContact NE-OD2 2.67Å; R91-D131 PolarHBondContact NE-OD2 2.76Å; R91-D131 IonicContact NH2-OD2 3.22Å; R91-D131 PolarHBondContact NH2-OD2 2.8Å; L129-D131 PolarHBondContact O-N 3.49Å; D131-F133 WeakPolarHBondContact O-CD2 2.99Å; D131-F133 WeakPolarHBondContact O-CE2 3.37Å; D131-Q147 VanDerWaalsContact O-CA 3.28Å; D131-Q147 WeakPolarHBondContact O-CA 3.25Å
132Y90.1Very high89Confident60 Ų6037.9 Ų37.924%0.23519%0.188CC..  trans-97.8147.1179.5-74.3-101.9000111.1G126 L129 V145 Y146 Q147G126-Y132 WeakPolarHBondContact CA-O 3.17Å; G126-Y132 PolarHBondContact N-O 2.88Å; L129-Y132 HydrophobicContact CB-CD2 3.53Å; L129-Y132 HydrophobicContact CB-CE2 4.35Å; L129-Y132 HydrophobicContact CB-CG 3.87Å; L129-Y132 HydrophobicContact CD1-CD2 4.19Å; L129-Y132 HydrophobicContact CD1-CE2 4.49Å; L129-Y132 HydrophobicContact CD1-CG 4.21Å; L129-Y132 HydrophobicContact CD2-CD2 4.35Å; L129-Y132 HydrophobicContact CD2-CE2 4.35Å; L129-Y132 HydrophobicContact CG-CD2 4.24Å; L129-Y132 WeakPolarHBondContact O-CB 3.25Å; L129-Y132 PolarHBondContact O-N 2.92Å; Y132-V145 HydrophobicContact CD1-CG2 3.99Å; Y132-V145 HydrophobicContact CG-CG2 4.35Å; Y132-Y146 CarbonylContact C-O 3.59Å; Y132-Y146 VanDerWaalsContact CA-O 3.25Å; Y132-Y146 WeakPolarHBondContact CA-O 3.41Å; Y132-Q147 HydrophobicContact CD1-CG 3.83Å; Y132-Q147 HydrophobicContact CD2-CG 3.75Å; Y132-Q147 HydrophobicContact CE1-CG 3.56Å; Y132-Q147 HydrophobicContact CE2-CG 3.52Å; Y132-Q147 HydrophobicContact CG-CG 3.95Å; Y132-Q147 VanDerWaalsContact CZ-CG 3.42Å
133F94.4Very high89.1Confident0 Ų037.9 Ų37.90%019%0.188CC..EExtended strand (participates in β ladder)trans-131.9139-177.7-65.1-101.3000109.6A96 L99 V100 V122 A124 Q125 D131 V145 Y146 L148 L149A96-F133 HydrophobicContact CB-CE1 4.08Å; A96-F133 HydrophobicContact CB-CZ 3.68Å; L99-F133 HydrophobicContact CB-CE1 4.45Å; L99-F133 HydrophobicContact CD1-CZ 4.45Å; V100-F133 HydrophobicContact CG2-CE1 4.5Å; V122-F133 HydrophobicContact CG1-CB 4.11Å; V122-F133 HydrophobicContact CG1-CD1 3.91Å; V122-F133 HydrophobicContact CG1-CG 4.38Å; A124-F133 CarbonylContact O-C 3.17Å; A124-F133 WeakPolarHBondContact O-CA 3.21Å; Q125-F133 HydrophobicContact CB-CD1 4.43Å; Q125-F133 HydrophobicContact CB-CE1 4.35Å; Q125-F133 HydrophobicContact CG-CE1 4.26Å; Q125-F133 HydrophobicContact CG-CZ 4.47Å; D131-F133 WeakPolarHBondContact O-CD2 2.99Å; D131-F133 WeakPolarHBondContact O-CE2 3.37Å; F133-V145 VanDerWaalsContact O-CA 3.28Å; F133-V145 WeakPolarHBondContact O-CA 3.2Å; F133-Y146 PolarHBondContact N-O 3.2Å; F133-Y146 PolarHBondContact O-N 2.88Å; F133-Y146 VanDerWaalsContact O-N 3.13Å; F133-L148 HydrophobicContact CB-CB 4.3Å; F133-L148 HydrophobicContact CB-CD1 3.5Å; F133-L148 VanDerWaalsContact CB-CD1 3.5Å; F133-L148 HydrophobicContact CB-CG 3.85Å; F133-L148 HydrophobicContact CD2-CB 3.78Å; F133-L148 HydrophobicContact CD2-CD1 4.48Å; F133-L148 HydrophobicContact CD2-CG 4.21Å; F133-L148 HydrophobicContact CE2-CB 4.45Å; F133-L148 HydrophobicContact CG-CB 4.13Å; F133-L148 HydrophobicContact CG-CD1 4.02Å; F133-L148 HydrophobicContact CG-CG 4.23Å; F133-L149 HydrophobicContact CE2-CD1 4.18Å; F133-L149 HydrophobicContact CE2-CD2 4.28Å; F133-L149 HydrophobicContact CE2-CG 3.71Å; F133-L149 HydrophobicContact CZ-CD1 4.28Å; F133-L149 HydrophobicContact CZ-CD2 4.07Å; F133-L149 HydrophobicContact CZ-CG 3.95Å
134Y95.4Very high89.2Confident16 Ų1638.7 Ų38.76%0.06319%0.19CC..EExtended strand (participates in β ladder)trans-73.5131.5164.8-70.4-38.8000110.1L44 V64 L123 A124 P127 L143 Y144 V145L44-Y134 WeakPolarHBondContact CB-OH 3.23Å; L44-Y134 HydrophobicContact CD1-CE1 3.71Å; L44-Y134 WeakPolarHBondContact CD1-OH 3.29Å; V64-Y134 HydrophobicContact CG2-CD1 4.2Å; V64-Y134 HydrophobicContact CG2-CE1 3.87Å; L123-Y134 PolarHBondContact N-O 3.37Å; A124-Y134 HydrophobicContact CB-CD2 4.35Å; A124-Y134 PolarHBondContact O-N 3.39Å; P127-Y134 WeakPolarHBondContact CD-OH 3.35Å; P127-Y134 HydrophobicContact CG-CE2 4.45Å; Y134-L143 HydrophobicContact CD1-CD1 4.14Å; Y134-L143 HydrophobicContact CD1-CD2 4.36Å; Y134-L143 HydrophobicContact CD1-CG 4.26Å; Y134-L143 HydrophobicContact CE1-CD2 4.46Å; Y134-L143 HydrophobicContact CG-CD1 4.07Å; Y134-Y144 WeakPolarHBondContact CA-O 3.18Å; Y134-V145 HydrophobicContact CD1-CB 4.07Å; Y134-V145 HydrophobicContact CD1-CG2 4.07Å; Y134-V145 HydrophobicContact CE1-CB 4.26Å; Y134-V145 HydrophobicContact CE1-CG2 4.15Å
135I97Very high89.3Confident0 Ų037.2 Ų37.20%018%0.178CC..EExtended strand (participates in β ladder)trans-143.9151.1179.7-178.1167.6000109.2V104 M121 V122 Y137 Y144 Y146 L148V104-I135 HydrophobicContact CG2-CD1 3.73Å; M121-I135 WeakPolarHBondContact O-CA 3.39Å; M121-I135 WeakPolarHBondContact O-CG1 3.5Å; V122-I135 HydrophobicContact CG2-CD1 4.33Å; I135-Y137 HydrophobicContact CD1-CE1 3.63Å; I135-Y137 HydrophobicContact CG1-CE1 3.97Å; I135-Y144 PolarHBondContact N-O 2.79Å; I135-Y144 VanDerWaalsContact N-O 3.09Å; I135-Y144 WeakPolarHBondContact O-CB 3.42Å; I135-Y144 PolarHBondContact O-N 3.24Å; I135-Y146 HydrophobicContact CG2-CD2 3.68Å; I135-Y146 HydrophobicContact CG2-CE2 4.43Å; I135-L148 HydrophobicContact CB-CD1 4.32Å; I135-L148 HydrophobicContact CD1-CD1 4.08Å; I135-L148 HydrophobicContact CD1-CD2 4.3Å
136S97.8Very high89.6Confident10 Ų1035.4 Ų35.47%0.0717%0.168CC..EExtended strand (participates in β ladder)trans-137.5156.2169.6-168.60000110G120 M121 P141 V142G120-S136 CarbonylContact C-O 3.54Å; G120-S136 WeakPolarHBondContact CA-O 3.17Å; M121-S136 PolarHBondContact N-O 2.82Å; M121-S136 PolarHBondContact O-N 3.48Å; S136-P141 WeakPolarHBondContact OG-CA 3.37Å; S136-V142 VanDerWaalsContact CB-O 3.27Å; S136-V142 WeakPolarHBondContact CB-O 3.5Å; S136-V142 PolarHBondContact OG-N 2.84Å; S136-V142 PolarHBondContact OG-O 3.35Å
137Y97.3Very high90.1Very high5 Ų538.5 Ų38.52%0.0218%0.181CC..EExtended strand (participates in β ladder)trans-116.9148.5-172.7-55.3-75.3000111.5H106 F108 W118 S119 I135 K139 D140 P141 Y144 Y146H106-Y137 HydrophobicContact CB-CE1 3.89Å; H106-Y137 AromaticContact ND1-CE1 3.94Å; H106-Y137 AromaticContact ND1-CZ 3.79Å; H106-Y137 PolarHBondContact ND1-OH 2.81Å; F108-Y137 HydrophobicContact CE2-CE1 4.19Å; F108-Y137 HydrophobicContact CZ-CE1 4.31Å; F108-Y137 HydrophobicContact CZ-CE2 4.32Å; F108-Y137 AromaticContact CZ-CZ 3.79Å; F108-Y137 WeakPolarHBondContact CZ-OH 3.32Å; W118-Y137 HydrophobicContact CB-CD1 3.82Å; W118-Y137 HydrophobicContact CB-CE1 4.32Å; W118-Y137 HydrophobicContact CB-CG 4.32Å; W118-Y137 HydrophobicContact CE3-CD1 4.28Å; W118-Y137 AromaticContact CE3-CD2 3.77Å; W118-Y137 HydrophobicContact CE3-CD2 3.77Å; W118-Y137 HydrophobicContact CE3-CE2 4.44Å; W118-Y137 AromaticContact CE3-CG 3.69Å; W118-Y137 HydrophobicContact CE3-CG 3.69Å; W118-Y137 HydrophobicContact CZ3-CD2 4.19Å; W118-Y137 HydrophobicContact CZ3-CG 4.46Å; S119-Y137 WeakPolarHBondContact O-CA 3.33Å; I135-Y137 HydrophobicContact CD1-CE1 3.63Å; I135-Y137 HydrophobicContact CG1-CE1 3.97Å; Y137-K139 VanDerWaalsContact C-N 3.31Å; Y137-K139 PolarHBondContact O-N 2.92Å; Y137-D140 PolarHBondContact N-O 2.92Å; Y137-D140 CarbonylContact O-C 3.59Å; Y137-D140 PolarHBondContact O-N 2.9Å; Y137-P141 WeakPolarHBondContact O-CA 3.41Å; Y137-Y144 AromaticContact CD2-CD2 3.57Å; Y137-Y144 HydrophobicContact CD2-CD2 3.57Å; Y137-Y144 AromaticContact CD2-CE2 3.57Å; Y137-Y144 HydrophobicContact CD2-CE2 3.57Å; Y137-Y144 HydrophobicContact CD2-CG 4.42Å; Y137-Y144 AromaticContact CE2-CD2 3.5Å; Y137-Y144 HydrophobicContact CE2-CD2 3.5Å; Y137-Y144 VanDerWaalsContact CE2-CD2 3.5Å; Y137-Y144 AromaticContact CE2-CE2 3.85Å; Y137-Y144 HydrophobicContact CE2-CE2 3.85Å; Y137-Y144 AromaticContact CE2-CG 3.91Å; Y137-Y144 HydrophobicContact CE2-CG 3.91Å; Y137-Y146 HydrophobicContact CE2-CE2 4.18Å; Y137-Y146 WeakPolarHBondContact OH-CD2 3.38Å; Y137-Y146 VanDerWaalsContact OH-CE2 3.32Å; Y137-Y146 WeakPolarHBondContact OH-CE2 3.27Å
138K94.4Very high91.1Very high130 Ų13036.5 Ų36.557%0.56517%0.168SC*.SBendtrans-63-38178.8-67.5-179.2-179.8172.90111.9E103 S119E103-K138 VanDerWaalsContact CD-NZ 3.31Å; E103-K138 WeakPolarHBondContact OE1-CE 3.43Å; E103-K138 IonicContact OE1-NZ 3.07Å; E103-K138 PolarHBondContact OE1-NZ 3.48Å; E103-K138 IonicContact OE2-NZ 3.29Å; E103-K138 PolarHBondContact OE2-NZ 3.01Å; S119-K138 PolarHBondContact O-N 2.9Å
139K93.6Very high92.2Very high132 Ų13232.9 Ų32.957%0.57415%0.152SC*.SBendtrans-73.5-26.6178-69.3-179.7178.1173.10112.8D116 Y137D116-K139 IonicContact OD1-NZ 3.58Å; D116-K139 PolarHBondContact OD1-NZ 2.79Å; D116-K139 IonicContact OD2-NZ 3.62Å; D116-K139 PolarHBondContact OD2-NZ 2.6Å; Y137-K139 VanDerWaalsContact C-N 3.31Å; Y137-K139 PolarHBondContact O-N 2.92Å
140D95.8Very high93.2Very high54 Ų5433.3 Ų33.329%0.28915%0.154SC..SBendtrans-144.393.4-179.8-167-3.7000110.3W118 Y137 V142 Y144W118-D140 HydrophobicContact CH2-CB 4.45Å; W118-D140 HydrophobicContact CZ3-CB 3.92Å; Y137-D140 PolarHBondContact N-O 2.92Å; Y137-D140 CarbonylContact O-C 3.59Å; Y137-D140 PolarHBondContact O-N 2.9Å; D140-V142 PolarHBondContact O-N 3.03Å; D140-Y144 PolarHBondContact OD2-OH 3.49Å
141P95.8Very high94.4Very high34 Ų3431.4 Ų31.422%0.22115%0.147CC..  trans-80.343.4-169.434.4-37.1000112.4S136 Y137 Y218 V219 Y220S136-P141 WeakPolarHBondContact OG-CA 3.37Å; Y137-P141 WeakPolarHBondContact O-CA 3.41Å; P141-Y218 HydrophobicContact CG-CD1 4.44Å; P141-Y218 CarbonylContact O-C 3.6Å; P141-Y218 VanDerWaalsContact O-CA 3.25Å; P141-Y218 WeakPolarHBondContact O-CA 3.18Å; P141-V219 PolarHBondContact O-N 3.02Å; P141-Y220 HydrophobicContact CB-CE1 4.42Å; P141-Y220 HydrophobicContact CG-CE1 4.33Å
142V97.3Very high95Very high6 Ų635.3 Ų35.34%0.03616%0.161CC..BIsolated β-bridgetrans-100.2159.2171.5-57.20000111S136 D140 Y144 H216 I217 Y218S136-V142 VanDerWaalsContact CB-O 3.27Å; S136-V142 WeakPolarHBondContact CB-O 3.5Å; S136-V142 PolarHBondContact OG-N 2.84Å; S136-V142 PolarHBondContact OG-O 3.35Å; D140-V142 PolarHBondContact O-N 3.03Å; V142-Y144 HydrophobicContact CB-CE2 4.43Å; V142-Y144 HydrophobicContact CG2-CD2 3.91Å; V142-Y144 HydrophobicContact CG2-CE1 4.27Å; V142-Y144 HydrophobicContact CG2-CE2 3.16Å; V142-Y144 WeakPolarHBondContact CG2-OH 3.13Å; V142-Y144 VanDerWaalsContact O-CD2 3.31Å; V142-Y144 WeakPolarHBondContact O-CD2 3.47Å; V142-H216 HydrophobicContact CG1-CB 4.06Å; V142-I217 CarbonylContact C-O 3.5Å; V142-I217 WeakPolarHBondContact CA-O 3.12Å; V142-Y218 HydrophobicContact CG1-CD1 4.04Å; V142-Y218 HydrophobicContact CG1-CE1 3.87Å
143L97.5Very high95.2Very high0 Ų038.1 Ų38.10%017%0.174CC..  trans-80.4120.9178.7-173.865.2000110.3V64 L123 Y134 F208 I217 V219V64-L143 HydrophobicContact CB-CB 4.25Å; V64-L143 HydrophobicContact CB-CD2 3.86Å; V64-L143 HydrophobicContact CB-CG 3.94Å; V64-L143 HydrophobicContact CG1-CD2 3.91Å; V64-L143 HydrophobicContact CG2-CD2 4.25Å; V64-L143 HydrophobicContact CG2-CG 4.07Å; V64-L143 PolarHBondContact N-O 2.9Å; L123-L143 HydrophobicContact CD1-CD1 3.52Å; Y134-L143 HydrophobicContact CD1-CD1 4.14Å; Y134-L143 HydrophobicContact CD1-CD2 4.36Å; Y134-L143 HydrophobicContact CD1-CG 4.26Å; Y134-L143 HydrophobicContact CE1-CD2 4.46Å; Y134-L143 HydrophobicContact CG-CD1 4.07Å; L143-F208 HydrophobicContact CD1-CE1 4.44Å; L143-F208 HydrophobicContact CD1-CE2 4.2Å; L143-F208 HydrophobicContact CD1-CZ 3.94Å; L143-F208 HydrophobicContact CD2-CD2 4.18Å; L143-F208 HydrophobicContact CD2-CE2 3.84Å; L143-F208 HydrophobicContact CD2-CZ 4.41Å; L143-I217 HydrophobicContact CB-CB 3.96Å; L143-I217 HydrophobicContact CB-CG2 4Å; L143-I217 HydrophobicContact CD2-CB 4.2Å; L143-I217 HydrophobicContact CD2-CG2 3.93Å; L143-I217 PolarHBondContact N-O 2.57Å; L143-V219 HydrophobicContact CB-CG2 4.04Å; L143-V219 HydrophobicContact CD1-CG2 4.02Å
144Y97.2Very high95.2Very high23 Ų2344.4 Ų44.49%0.0920%0.204CC..EExtended strand (participates in β ladder)trans-112.3165.5173.5-67.6-89.1000111.5D62 S63 Y134 I135 Y137 D140 V142 Y146D62-Y144 HydrophobicContact CB-CD1 4.12Å; D62-Y144 WeakPolarHBondContact O-CA 3.33Å; S63-Y144 WeakPolarHBondContact OG-CE1 3.15Å; Y134-Y144 WeakPolarHBondContact CA-O 3.18Å; I135-Y144 PolarHBondContact N-O 2.79Å; I135-Y144 VanDerWaalsContact N-O 3.09Å; I135-Y144 WeakPolarHBondContact O-CB 3.42Å; I135-Y144 PolarHBondContact O-N 3.24Å; Y137-Y144 AromaticContact CD2-CD2 3.57Å; Y137-Y144 HydrophobicContact CD2-CD2 3.57Å; Y137-Y144 AromaticContact CD2-CE2 3.57Å; Y137-Y144 HydrophobicContact CD2-CE2 3.57Å; Y137-Y144 HydrophobicContact CD2-CG 4.42Å; Y137-Y144 AromaticContact CE2-CD2 3.5Å; Y137-Y144 HydrophobicContact CE2-CD2 3.5Å; Y137-Y144 VanDerWaalsContact CE2-CD2 3.5Å; Y137-Y144 AromaticContact CE2-CE2 3.85Å; Y137-Y144 HydrophobicContact CE2-CE2 3.85Å; Y137-Y144 AromaticContact CE2-CG 3.91Å; Y137-Y144 HydrophobicContact CE2-CG 3.91Å; D140-Y144 PolarHBondContact OD2-OH 3.49Å; V142-Y144 HydrophobicContact CB-CE2 4.43Å; V142-Y144 HydrophobicContact CG2-CD2 3.91Å; V142-Y144 HydrophobicContact CG2-CE1 4.27Å; V142-Y144 HydrophobicContact CG2-CE2 3.16Å; V142-Y144 WeakPolarHBondContact CG2-OH 3.13Å; V142-Y144 VanDerWaalsContact O-CD2 3.31Å; V142-Y144 WeakPolarHBondContact O-CD2 3.47Å; Y144-Y146 AromaticContact CD1-CE2 3.93Å; Y144-Y146 HydrophobicContact CD1-CE2 3.93Å; Y144-Y146 AromaticContact CG-CE2 3.97Å; Y144-Y146 HydrophobicContact CG-CE2 3.97Å
145V95Very high95.2Very high2 Ų245.1 Ų45.11%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-138.5118.9173.269.60000111.7K57 D62 V64 Y132 F133 Y134K57-V145 HydrophobicContact CB-CG1 4.36Å; K57-V145 HydrophobicContact CD-CG1 3.5Å; K57-V145 VanDerWaalsContact CD-CG1 3.5Å; K57-V145 VanDerWaalsContact CE-CG1 3.5Å; K57-V145 HydrophobicContact CG-CG1 3.71Å; D62-V145 PolarHBondContact O-N 3.17Å; V64-V145 HydrophobicContact CG2-CB 3.91Å; V64-V145 HydrophobicContact CG2-CG1 3.87Å; Y132-V145 HydrophobicContact CD1-CG2 3.99Å; Y132-V145 HydrophobicContact CG-CG2 4.35Å; F133-V145 VanDerWaalsContact O-CA 3.28Å; F133-V145 WeakPolarHBondContact O-CA 3.2Å; Y134-V145 HydrophobicContact CD1-CB 4.07Å; Y134-V145 HydrophobicContact CD1-CG2 4.07Å; Y134-V145 HydrophobicContact CE1-CB 4.26Å; Y134-V145 HydrophobicContact CE1-CG2 4.15Å
146Y94.7Very high95.2Very high36 Ų3647.3 Ų47.314%0.14123%0.228CC..EExtended strand (participates in β ladder)trans-134.5159.9-174.2-73.8-73.8000112.4D62 Y132 F133 I135 Y137 Y144 L148D62-Y146 HydrophobicContact CB-CE1 3.66Å; D62-Y146 HydrophobicContact CB-CE2 4.19Å; D62-Y146 VanDerWaalsContact CB-CZ 3.43Å; D62-Y146 WeakPolarHBondContact CB-OH 3.46Å; D62-Y146 VanDerWaalsContact OD2-CE1 3.25Å; D62-Y146 WeakPolarHBondContact OD2-CE1 3.4Å; D62-Y146 PolarHBondContact OD2-OH 3.18Å; Y132-Y146 CarbonylContact C-O 3.59Å; Y132-Y146 VanDerWaalsContact CA-O 3.25Å; Y132-Y146 WeakPolarHBondContact CA-O 3.41Å; F133-Y146 PolarHBondContact N-O 3.2Å; F133-Y146 PolarHBondContact O-N 2.88Å; F133-Y146 VanDerWaalsContact O-N 3.13Å; I135-Y146 HydrophobicContact CG2-CD2 3.68Å; I135-Y146 HydrophobicContact CG2-CE2 4.43Å; Y137-Y146 HydrophobicContact CE2-CE2 4.18Å; Y137-Y146 WeakPolarHBondContact OH-CD2 3.38Å; Y137-Y146 VanDerWaalsContact OH-CE2 3.32Å; Y137-Y146 WeakPolarHBondContact OH-CE2 3.27Å; Y144-Y146 AromaticContact CD1-CE2 3.93Å; Y144-Y146 HydrophobicContact CD1-CE2 3.93Å; Y144-Y146 AromaticContact CG-CE2 3.97Å; Y144-Y146 HydrophobicContact CG-CE2 3.97Å; Y146-L148 VanDerWaalsContact C-N 3.28Å; Y146-L148 PolarHBondContact O-N 3.5Å; Y146-L148 VanDerWaalsContact O-N 3.14Å
147Q92.5Very high95.2Very high72 Ų7246.9 Ų46.934%0.33622%0.224SC..  trans-85.564.3173.6-66.6-175.9-66.500111.9D131 Y132 L149 D150D131-Q147 VanDerWaalsContact O-CA 3.28Å; D131-Q147 WeakPolarHBondContact O-CA 3.25Å; Y132-Q147 HydrophobicContact CD1-CG 3.83Å; Y132-Q147 HydrophobicContact CD2-CG 3.75Å; Y132-Q147 HydrophobicContact CE1-CG 3.56Å; Y132-Q147 HydrophobicContact CE2-CG 3.52Å; Y132-Q147 HydrophobicContact CG-CG 3.95Å; Y132-Q147 VanDerWaalsContact CZ-CG 3.42Å; Q147-L149 PolarHBondContact O-N 3.23Å; Q147-D150 PolarHBondContact O-N 2.77Å
148L94.7Very high95.1Very high0 Ų051.4 Ų51.40%025%0.246CC..Hα-helixtrans-59.2-19.6-168.4-64.7-173.7000115.8L99 V122 F133 I135 Y146 D150 Y152 L157L99-L148 HydrophobicContact CD1-CB 4.33Å; V122-L148 HydrophobicContact CB-CD1 4.41Å; V122-L148 HydrophobicContact CG1-CD1 4.01Å; V122-L148 HydrophobicContact CG2-CD1 3.6Å; F133-L148 HydrophobicContact CB-CB 4.3Å; F133-L148 HydrophobicContact CB-CD1 3.5Å; F133-L148 VanDerWaalsContact CB-CD1 3.5Å; F133-L148 HydrophobicContact CB-CG 3.85Å; F133-L148 HydrophobicContact CD2-CB 3.78Å; F133-L148 HydrophobicContact CD2-CD1 4.48Å; F133-L148 HydrophobicContact CD2-CG 4.21Å; F133-L148 HydrophobicContact CE2-CB 4.45Å; F133-L148 HydrophobicContact CG-CB 4.13Å; F133-L148 HydrophobicContact CG-CD1 4.02Å; F133-L148 HydrophobicContact CG-CG 4.23Å; I135-L148 HydrophobicContact CB-CD1 4.32Å; I135-L148 HydrophobicContact CD1-CD1 4.08Å; I135-L148 HydrophobicContact CD1-CD2 4.3Å; Y146-L148 VanDerWaalsContact C-N 3.28Å; Y146-L148 PolarHBondContact O-N 3.5Å; Y146-L148 VanDerWaalsContact O-N 3.14Å; L148-D150 VanDerWaalsContact C-N 3.33Å; L148-Y152 WeakPolarHBondContact O-CB 3.17Å; L148-Y152 PolarHBondContact O-N 3Å; L148-L157 HydrophobicContact CB-CD2 3.79Å; L148-L157 HydrophobicContact CD1-CD2 4.32Å; L148-L157 HydrophobicContact CD2-CD1 4.26Å; L148-L157 HydrophobicContact CD2-CD2 4.13Å; L148-L157 HydrophobicContact CG-CD2 4.29Å
149L93.1Very high95.2Very high0 Ų047.5 Ų47.50%023%0.23CC..Hα-helixtrans-68.6-33.4174.6-63.4176.7000112.4V90 L95 A96 L99 F133 Q147 K153V90-L149 HydrophobicContact CG1-CD1 4.35Å; L95-L149 HydrophobicContact CB-CD2 4.04Å; L95-L149 HydrophobicContact CD2-CD2 3.7Å; L95-L149 HydrophobicContact CG-CD2 3.61Å; A96-L149 HydrophobicContact CB-CD2 4.4Å; L99-L149 HydrophobicContact CD1-CD2 3.75Å; F133-L149 HydrophobicContact CE2-CD1 4.18Å; F133-L149 HydrophobicContact CE2-CD2 4.28Å; F133-L149 HydrophobicContact CE2-CG 3.71Å; F133-L149 HydrophobicContact CZ-CD1 4.28Å; F133-L149 HydrophobicContact CZ-CD2 4.07Å; F133-L149 HydrophobicContact CZ-CG 3.95Å; Q147-L149 PolarHBondContact O-N 3.23Å; L149-K153 WeakPolarHBondContact O-CD 3.43Å; L149-K153 VanDerWaalsContact O-CG 3.26Å; L149-K153 WeakPolarHBondContact O-CG 3.33Å; L149-K153 PolarHBondContact O-N 2.86Å
150D92Very high95.2Very high35 Ų3543.4 Ų43.419%0.18721%0.214CC..Hα-helixtrans-73.7-46.9176.1-66.4-37.7000109.4R91 Q147 L148 Y152 K153 E154R91-D150 IonicContact CZ-OD1 3.71Å; R91-D150 VanDerWaalsContact CZ-OD1 3.22Å; R91-D150 IonicContact CZ-OD2 3.6Å; R91-D150 IonicContact NH1-OD1 3.5Å; R91-D150 PolarHBondContact NH1-OD1 2.88Å; R91-D150 IonicContact NH1-OD2 2.88Å; R91-D150 IonicContact NH2-OD1 2.73Å; R91-D150 PolarHBondContact NH2-OD1 3.45Å; R91-D150 IonicContact NH2-OD2 3.18Å; R91-D150 PolarHBondContact NH2-OD2 2.67Å; Q147-D150 PolarHBondContact O-N 2.77Å; L148-D150 VanDerWaalsContact C-N 3.33Å; D150-Y152 PolarHBondContact O-N 2.82Å; D150-K153 PolarHBondContact O-N 3.5Å; D150-E154 WeakPolarHBondContact O-CB 3.35Å; D150-E154 WeakPolarHBondContact O-CG 3.46Å; D150-E154 PolarHBondContact O-N 3.21Å
151D95.2Very high94.7Very high30 Ų3046 Ų4616%0.1623%0.234CC..Hα-helixtrans-56.1-40.3176-55.6-39.6000111.6H106 G155 N156 L157H106-D151 IonicContact CE1-OD2 2.7Å; H106-D151 IonicContact NE2-OD2 3.44Å; H106-D151 PolarHBondContact NE2-OD2 2.92Å; D151-G155 PolarHBondContact O-N 3.22Å; D151-N156 HydrophobicContact CB-CB 4.26Å; D151-N156 CarbonylContact O-C 3.59Å; D151-N156 WeakPolarHBondContact O-CA 3.31Å; D151-N156 PolarHBondContact O-N 3.2Å; D151-L157 HydrophobicContact CB-CB 3.9Å; D151-L157 PolarHBondContact O-N 3.32Å
152Y94.7Very high93.9Very high97 Ų9750.3 Ų50.338%0.3825%0.251SS..Hα-helixtrans-64.9-44.2175.5-175.7-90.7000112.7L95 L148 D150 E154 G155 L157 I159L95-Y152 HydrophobicContact CD1-CD1 4.02Å; L95-Y152 HydrophobicContact CD1-CE1 3.89Å; L95-Y152 HydrophobicContact CD1-CE2 4.49Å; L95-Y152 HydrophobicContact CD1-CG 4.38Å; L95-Y152 HydrophobicContact CD2-CD1 3.62Å; L95-Y152 HydrophobicContact CD2-CE1 4.08Å; L95-Y152 HydrophobicContact CD2-CG 4.25Å; L95-Y152 HydrophobicContact CG-CD1 4.44Å; L148-Y152 WeakPolarHBondContact O-CB 3.17Å; L148-Y152 PolarHBondContact O-N 3Å; D150-Y152 PolarHBondContact O-N 2.82Å; Y152-E154 VanDerWaalsContact C-N 3.32Å; Y152-E154 PolarHBondContact O-N 3.06Å; Y152-G155 PolarHBondContact O-N 2.83Å; Y152-L157 WeakPolarHBondContact CD2-O 3.49Å; Y152-I159 HydrophobicContact CE2-CD1 4.24Å; Y152-I159 HydrophobicContact CE2-CG1 4.3Å
153K93.2Very high92.2Very high118 Ų11855.7 Ų55.751%0.51328%0.284SS..Hα-helixtrans-67.7-34-179.7-74.8170.9-176.1175.50112.4L149 D150 G155L149-K153 WeakPolarHBondContact O-CD 3.43Å; L149-K153 VanDerWaalsContact O-CG 3.26Å; L149-K153 WeakPolarHBondContact O-CG 3.33Å; L149-K153 PolarHBondContact O-N 2.86Å; D150-K153 PolarHBondContact O-N 3.5Å; K153-G155 PolarHBondContact O-N 3.48Å
154E94.8Very high90Very high133 Ų13361.9 Ų61.962%0.62132%0.324SS*.Hα-helixtrans-78.3-8.8177.2-67.6176.3-176.300112.6D150 Y152 N156D150-E154 WeakPolarHBondContact O-CB 3.35Å; D150-E154 WeakPolarHBondContact O-CG 3.46Å; D150-E154 PolarHBondContact O-N 3.21Å; Y152-E154 VanDerWaalsContact C-N 3.32Å; Y152-E154 PolarHBondContact O-N 3.06Å; E154-N156 VanDerWaalsContact C-N 3.34Å; E154-N156 PolarHBondContact OE2-ND2 2.78Å
155G95.4Very high87.8Confident30 Ų3068 Ų6831%0.30936%0.358SS..THydrogen-bonded Turntrans80.415-177.900000113.8D151 Y152 K153 H158D151-G155 PolarHBondContact O-N 3.22Å; Y152-G155 PolarHBondContact O-N 2.83Å; K153-G155 PolarHBondContact O-N 3.48Å; G155-H158 PolarHBondContact O-CE1 3.45Å; G155-H158 PolarHBondContact O-NE2 3.38Å
156N96.7Very high85.2Confident47 Ų4772.3 Ų72.325%0.25139%0.394SS..  trans-87.3-13.7175.8-64.6-36.2000112.6H106 K107 D151 E154H106-N156 PolarHBondContact CD2-O 3.09Å; K107-N156 HydrophobicContact CB-CB 4.37Å; K107-N156 WeakPolarHBondContact CB-O 3.46Å; K107-N156 PolarHBondContact N-O 2.71Å; D151-N156 HydrophobicContact CB-CB 4.26Å; D151-N156 CarbonylContact O-C 3.59Å; D151-N156 WeakPolarHBondContact O-CA 3.31Å; D151-N156 PolarHBondContact O-N 3.2Å; E154-N156 VanDerWaalsContact C-N 3.34Å; E154-N156 PolarHBondContact OE2-ND2 2.78Å
157L97.5Very high82.7Confident0 Ų079.3 Ų79.30%043%0.428CS..EExtended strand (participates in β ladder)trans-123.8126.4176.5-16877.1000111.4L99 V104 H106 L148 D151 Y152L99-L157 HydrophobicContact CD2-CD2 3.92Å; V104-L157 HydrophobicContact CB-CD1 3.91Å; V104-L157 HydrophobicContact CB-CG 4.39Å; V104-L157 HydrophobicContact CG1-CD1 4.36Å; V104-L157 HydrophobicContact CG1-CG 4.43Å; V104-L157 HydrophobicContact CG2-CD1 3.92Å; H106-L157 HydrophobicContact CB-CD1 3.72Å; L148-L157 HydrophobicContact CB-CD2 3.79Å; L148-L157 HydrophobicContact CD1-CD2 4.32Å; L148-L157 HydrophobicContact CD2-CD1 4.26Å; L148-L157 HydrophobicContact CD2-CD2 4.13Å; L148-L157 HydrophobicContact CG-CD2 4.29Å; D151-L157 HydrophobicContact CB-CB 3.9Å; D151-L157 PolarHBondContact O-N 3.32Å; Y152-L157 WeakPolarHBondContact CD2-O 3.49Å
158H96.7Very high80.4Confident101 Ų10180.3 Ų80.347%0.46845%0.448SS..EExtended strand (participates in β ladder)trans-122.3129176.9-62-51.2000111.2V104 Q105 G155 I160V104-H158 CarbonylContact C-O 3.48Å; V104-H158 WeakPolarHBondContact CA-O 3.28Å; V104-H158 WeakPolarHBondContact CB-O 3.47Å; Q105-H158 PolarHBondContact N-O 3.38Å; Q105-H158 PolarHBondContact O-N 2.69Å; G155-H158 PolarHBondContact O-CE1 3.45Å; G155-H158 PolarHBondContact O-NE2 3.38Å; H158-I160 PolarHBondContact O-N 3.15Å
159I95.7Very high78.2Confident47 Ų4790.1 Ų90.124%0.24149%0.485CS..EExtended strand (participates in β ladder)trans-73.2124.4171.7-60.9173.1000108.4L99 R102 V104 Y152L99-I159 HydrophobicContact CD2-CD1 3.86Å; L99-I159 HydrophobicContact CD2-CG1 3.85Å; R102-I159 HydrophobicContact CB-CG2 4.11Å; R102-I159 HydrophobicContact CG-CG2 4.2Å; R102-I159 VanDerWaalsContact NE-CG2 3.32Å; V104-I159 HydrophobicContact CG1-CG1 4.48Å; Y152-I159 HydrophobicContact CE2-CD1 4.24Å; Y152-I159 HydrophobicContact CE2-CG1 4.3Å
160I92.9Very high76Confident47 Ų4795.2 Ų95.224%0.24152%0.521CS..PPolyproline II helixtrans-76.6128.5173-56.4177.7000107.5E103 Q105 H158 E162E103-I160 HydrophobicContact CB-CB 4.19Å; E103-I160 HydrophobicContact CB-CD1 4.25Å; E103-I160 PolarHBondContact O-N 3.4Å; Q105-I160 HydrophobicContact CG-CD1 3.92Å; Q105-I160 HydrophobicContact CG-CG1 4.18Å; H158-I160 PolarHBondContact O-N 3.15Å; I160-E162 PolarHBondContact O-N 3.22Å
161P86.8Confident74Confident107 Ų10796.8 Ų96.870%0.69555%0.545SS*.PPolyproline II helixtrans-59.7129.4173.9-2232.8000110.3T163P161-T163 PolarHBondContact O-N 3Å
162E78.6Confident71.9Confident125 Ų125100.5 Ų100.558%0.58457%0.565SS**PPolyproline II helixtrans-64.5124.4173.5-76.6169.8-165.500109.1R102 I160R102-E162 IonicContact CZ-OE1 2.69Å; R102-E162 IonicContact NE-OE1 3.07Å; R102-E162 IonicContact NH1-OE1 2.74Å; R102-E162 PolarHBondContact NH1-OE1 3.29Å; R102-E162 IonicContact NH1-OE2 2.68Å; R102-E162 PolarHBondContact NH1-OE2 2.8Å; I160-E162 PolarHBondContact O-N 3.22Å
163T61.9Low70.1Confident120 Ų120102.5 Ų102.574%0.73658%0.582SS**PPolyproline II helixtrans-71.9130.316043.30000107.1P161 L165P161-T163 PolarHBondContact O-N 3Å; T163-L165 PolarHBondContact O-N 2.7Å
164P51.1Low68.5Low130 Ų13097.9 Ų97.984%0.84456%0.563SS**  trans-59.8107.2177.921.8-30000108.5A166P164-A166 PolarHBondContact O-N 3.27Å
165L51.5Low67.1Low151 Ų15195.8 Ų95.879%0.79156%0.556SS**  trans-69.7122.3178.4-164.476.7000107.6T163 E167T163-L165 PolarHBondContact O-N 2.7Å; L165-E167 PolarHBondContact O-N 3Å; L165-E167 VanDerWaalsContact O-N 3.13Å
166A39.5Very low66.1Low93 Ų93100.4 Ų100.477%0.76957%0.568SS**SBendtrans-57.1118.8173.100000109.1P164P164-A166 PolarHBondContact O-N 3.27Å
167E42.6Very low65.6Low182 Ų18299.6 Ų99.685%0.8556%0.564SS**  trans4997.7174.5-62.5-178.1179.900114.9L165 R169L165-E167 PolarHBondContact O-N 3Å; L165-E167 VanDerWaalsContact O-N 3.13Å; E167-R169 PolarHBondContact O-N 2.89Å
168A43.6Very low65.1Low93 Ų93101.9 Ų101.977%0.76958%0.576SS**  trans-49.4104.4159.900000108.6S170A168-S170 PolarHBondContact O-N 3.05Å; A168-S170 VanDerWaalsContact O-N 3.08Å
169R48Very low64.8Low206 Ų20698.3 Ų98.378%0.77757%0.566SS**  trans-52.6122.4166.1-72-173.2175.8-172.1-1.2105.9E167 G171E167-R169 PolarHBondContact O-N 2.89Å; R169-G171 PolarHBondContact O-N 2.83Å; R169-G171 VanDerWaalsContact O-N 3.15Å
170S47.4Very low64.5Low107 Ų10798.1 Ų98.175%0.74857%0.569SS**  trans-41.5124.2177.8510000108.5A168 D172A168-S170 PolarHBondContact O-N 3.05Å; A168-S170 VanDerWaalsContact O-N 3.08Å; S170-D172 PolarHBondContact O-N 2.92Å
171G50.5Low64.4Low68 Ų68103.3 Ų103.370%0.70159%0.585SS**  trans-56.991.4177.800000108.8R169 D173R169-G171 PolarHBondContact O-N 2.83Å; R169-G171 VanDerWaalsContact O-N 3.15Å; G171-D173 PolarHBondContact O-N 2.91Å
172D51.8Low64.6Low109 Ų10999.8 Ų99.858%0.58356%0.562SS**  trans-65118.1169.2-153.825.1000104.2S170 N174S170-D172 PolarHBondContact O-N 2.92Å; D172-N174 WeakPolarHBondContact CB-ND2 3.4Å; D172-N174 PolarHBondContact O-N 2.97Å; D172-N174 PolarHBondContact OD2-ND2 2.81Å; D172-N174 PolarHBondContact OD2-OD1 3.27Å
173D56.2Low65.2Low138 Ų13898.4 Ų98.474%0.73856%0.555SS**  trans-74.158.4-168.7-148.68.2000109.5G171 D175G171-D173 PolarHBondContact O-N 2.91Å; D173-D175 PolarHBondContact O-N 2.7Å
174N58.8Low66.3Low21 Ų2197.3 Ų97.311%0.11254%0.539CS..  trans-85.851.4-165-75.7-18.2000110.9D172 F176 L177 Y207D172-N174 WeakPolarHBondContact CB-ND2 3.4Å; D172-N174 PolarHBondContact O-N 2.97Å; D172-N174 PolarHBondContact OD2-ND2 2.81Å; D172-N174 PolarHBondContact OD2-OD1 3.27Å; N174-F176 HydrophobicContact CB-CD1 3.47Å; N174-F176 VanDerWaalsContact CB-CD1 3.47Å; N174-F176 HydrophobicContact CB-CE1 3.48Å; N174-F176 VanDerWaalsContact CB-CE1 3.48Å; N174-F176 HydrophobicContact CB-CG 4.49Å; N174-F176 HydrophobicContact CB-CZ 4.46Å; N174-F176 WeakPolarHBondContact ND2-CE1 3.25Å; N174-F176 PolarHBondContact O-N 2.86Å; N174-F176 VanDerWaalsContact O-N 3.11Å; N174-F176 WeakPolarHBondContact OD1-CD1 3.46Å; N174-F176 WeakPolarHBondContact OD1-CE1 3.43Å; N174-L177 PolarHBondContact O-N 2.68Å; N174-Y207 PolarHBondContact O-OH 2.85Å
175D67Low68Low89 Ų8994.6 Ų94.648%0.47652%0.52SS..G310 helixtrans-58.7-12.6161.4-84.213.3000111.6D173 L177 I178 K199D173-D175 PolarHBondContact O-N 2.7Å; D175-L177 PolarHBondContact O-N 2.72Å; D175-L177 VanDerWaalsContact O-N 3.12Å; D175-I178 WeakPolarHBondContact O-CB 3.44Å; D175-I178 PolarHBondContact O-N 3.46Å; D175-K199 WeakPolarHBondContact OD1-CD 3.44Å; D175-K199 IonicContact OD1-NZ 2.76Å; D175-K199 PolarHBondContact OD1-NZ 2.96Å
176F74.3Confident69.6Low127 Ų12792.7 Ų92.756%0.55750%0.502SS*.G310 helixtrans-55.4-28.2175.284.4-110.6000113.6N174 I178 S180N174-F176 HydrophobicContact CB-CD1 3.47Å; N174-F176 VanDerWaalsContact CB-CD1 3.47Å; N174-F176 HydrophobicContact CB-CE1 3.48Å; N174-F176 VanDerWaalsContact CB-CE1 3.48Å; N174-F176 HydrophobicContact CB-CG 4.49Å; N174-F176 HydrophobicContact CB-CZ 4.46Å; N174-F176 WeakPolarHBondContact ND2-CE1 3.25Å; N174-F176 PolarHBondContact O-N 2.86Å; N174-F176 VanDerWaalsContact O-N 3.11Å; N174-F176 WeakPolarHBondContact OD1-CD1 3.46Å; N174-F176 WeakPolarHBondContact OD1-CE1 3.43Å; F176-I178 VanDerWaalsContact C-N 3.27Å; F176-I178 PolarHBondContact O-N 3.04Å; F176-S180 PolarHBondContact O-OG 3.15Å
177L85.2Confident71.8Confident31 Ų3196.1 Ų96.116%0.16251%0.508CS..G310 helixtrans-72-24.8-179.4-71.8174.6000112N174 D175 G179 S180 V196 Y207 L222N174-L177 PolarHBondContact O-N 2.68Å; D175-L177 PolarHBondContact O-N 2.72Å; D175-L177 VanDerWaalsContact O-N 3.12Å; L177-G179 PolarHBondContact O-N 2.89Å; L177-S180 WeakPolarHBondContact O-CB 3.36Å; L177-S180 PolarHBondContact O-N 2.89Å; L177-S180 PolarHBondContact O-OG 2.91Å; L177-V196 VanDerWaalsContact O-CB 3.27Å; L177-V196 WeakPolarHBondContact O-CB 3.47Å; L177-Y207 HydrophobicContact CB-CD1 4.47Å; L177-Y207 HydrophobicContact CB-CE1 3.94Å; L177-Y207 HydrophobicContact CD1-CE1 4.13Å; L177-Y207 HydrophobicContact CD1-CE2 4.1Å; L177-L222 HydrophobicContact CD1-CD1 4.1Å
178I88.1Confident74.1Confident48 Ų4892.8 Ų92.825%0.24650%0.495CS..THydrogen-bonded Turntrans-63.1125.9-178.8-54.8177.7000109T49 D175 F176 S180 K199T49-I178 HydrophobicContact CG2-CG2 3.36Å; D175-I178 WeakPolarHBondContact O-CB 3.44Å; D175-I178 PolarHBondContact O-N 3.46Å; F176-I178 VanDerWaalsContact C-N 3.27Å; F176-I178 PolarHBondContact O-N 3.04Å; I178-S180 VanDerWaalsContact C-N 3.28Å; I178-S180 PolarHBondContact O-N 3.47Å; I178-K199 HydrophobicContact CD1-CB 4Å; I178-K199 HydrophobicContact CG1-CB 4.3Å
179G88.3Confident76.3Confident25 Ų2596 Ų9626%0.25850%0.495SS..THydrogen-bonded Turntrans85.7-7.4-176.600000114.8L177 K195 V196L177-G179 PolarHBondContact O-N 2.89Å; G179-K195 WeakPolarHBondContact O-CE 3.4Å; G179-V196 WeakPolarHBondContact CA-O 3.45Å; G179-V196 PolarHBondContact N-O 2.75Å
180S90.2Very high78.3Confident44 Ų4488.3 Ų88.331%0.30847%0.472SS..  trans-68.6146.2172.5-67.70000111.6F176 L177 I178 K195 V196F176-S180 PolarHBondContact O-OG 3.15Å; L177-S180 WeakPolarHBondContact O-CB 3.36Å; L177-S180 PolarHBondContact O-N 2.89Å; L177-S180 PolarHBondContact O-OG 2.91Å; I178-S180 VanDerWaalsContact C-N 3.28Å; I178-S180 PolarHBondContact O-N 3.47Å; S180-K195 WeakPolarHBondContact O-CA 3.46Å; S180-V196 PolarHBondContact O-N 2.88Å
181W91.2Very high80.3Confident155 Ų15589.2 Ų89.259%0.58746%0.462SS*.EExtended strand (participates in β ladder)trans-80.4137.4169.8-70.995.6000109.8G194 L212W181-G194 CarbonylContact C-O 3.48Å; W181-G194 WeakPolarHBondContact CA-O 3.45Å; W181-L212 HydrophobicContact CH2-CD1 4.2Å; W181-L212 HydrophobicContact CH2-CD2 3.99Å; W181-L212 HydrophobicContact CH2-CG 4.35Å; W181-L212 HydrophobicContact CZ3-CD1 3.82Å; W181-L212 HydrophobicContact CZ3-CD2 4.02Å; W181-L212 HydrophobicContact CZ3-CG 3.91Å
182V90.8Very high82.3Confident34 Ų3487.1 Ų87.121%0.20643%0.434CS..EExtended strand (participates in β ladder)trans-121.2149.2174.8-670000109.6F193 G194 V196 I209V182-F193 WeakPolarHBondContact O-CA 3.16Å; V182-G194 WeakPolarHBondContact CG2-O 3.06Å; V182-G194 PolarHBondContact N-O 3.44Å; V182-G194 PolarHBondContact O-N 2.74Å; V182-V196 HydrophobicContact CG1-CG2 3.72Å; V182-I209 HydrophobicContact CG2-CD1 4.14Å; V182-I209 HydrophobicContact CG2-CG2 3.56Å
183Q90.7Very high84.3Confident95 Ų9586.4 Ų86.444%0.44443%0.426SS..EExtended strand (participates in β ladder)trans-118.7128.5174.3-171.1-165.5-69.900108.5K191 K192 F193Q183-K191 HydrophobicContact CG-CB 4.05Å; Q183-K191 HydrophobicContact CG-CD 4.35Å; Q183-K191 HydrophobicContact CG-CG 4.21Å; Q183-K191 VanDerWaalsContact NE2-CD 3.28Å; Q183-K192 WeakPolarHBondContact CA-O 3.45Å; Q183-F193 HydrophobicContact CB-CD1 4.22Å; Q183-F193 HydrophobicContact CB-CE1 4.08Å; Q183-F193 HydrophobicContact CG-CD1 4.19Å; Q183-F193 HydrophobicContact CG-CE1 3.79Å; Q183-F193 HydrophobicContact CG-CZ 4.1Å
184Y85Confident86Confident98 Ų9879.9 Ų79.938%0.38439%0.391SS..EExtended strand (participates in β ladder)trans-110.7128.6171.1176.5-99.8000108.9R186 K191 K192Y184-R186 HydrophobicContact CD1-CG 3.89Å; Y184-R186 HydrophobicContact CE1-CB 4.32Å; Y184-R186 HydrophobicContact CE1-CG 3.61Å; Y184-K191 CarbonylContact O-C 3.56Å; Y184-K191 WeakPolarHBondContact O-CA 3.46Å; Y184-K192 PolarHBondContact N-O 2.85Å; Y184-K192 PolarHBondContact O-N 2.69Å
185T87.1Confident87.6Confident73 Ų7382 Ų8245%0.44840%0.399SS..EExtended strand (participates in β ladder)trans-96.1121.5172.6-53.90000107.9
186R85.2Confident88.9Confident110 Ų11077.8 Ų77.842%0.41538%0.377SS..  trans-77.2169.3175.6-75.1168.9169.5-173.3-2.1110.9Y184 D188 E189 S190Y184-R186 HydrophobicContact CD1-CG 3.89Å; Y184-R186 HydrophobicContact CE1-CB 4.32Å; Y184-R186 HydrophobicContact CE1-CG 3.61Å; R186-D188 WeakPolarHBondContact CB-OD1 3.31Å; R186-D188 PolarHBondContact O-N 2.85Å; R186-E189 WeakPolarHBondContact O-CA 3.35Å; R186-E189 PolarHBondContact O-N 2.9Å; R186-S190 VanDerWaalsContact CD-OG 3.26Å; R186-S190 WeakPolarHBondContact CD-OG 3.27Å; R186-S190 PolarHBondContact N-O 3.29Å
187D86Confident89.7Confident166 Ų16672 Ų7289%0.88835%0.352SS*.THydrogen-bonded Turntrans-59.7-28177.5-56.3-28.6000112.8E189D187-E189 PolarHBondContact O-N 2.87Å
188D91.4Very high90Very high111 Ų11174 Ų7459%0.59436%0.358SS*.THydrogen-bonded Turntrans-83.513.9174.569-5.2000113.5R186 S190R186-D188 WeakPolarHBondContact CB-OD1 3.31Å; R186-D188 PolarHBondContact O-N 2.85Å; D188-S190 VanDerWaalsContact CG-OG 3.29Å; D188-S190 PolarHBondContact O-N 2.81Å; D188-S190 WeakPolarHBondContact OD1-CB 3.45Å; D188-S190 PolarHBondContact OD1-N 3.4Å; D188-S190 PolarHBondContact OD1-OG 2.79Å; D188-S190 PolarHBondContact OD2-OG 2.83Å
189E88.5Confident90.1Very high162 Ų16272.6 Ų72.676%0.75735%0.35SS*.SBendtrans62.10.3-174.4-55-172.816500115.4R186 D187R186-E189 WeakPolarHBondContact O-CA 3.35Å; R186-E189 PolarHBondContact O-N 2.9Å; D187-E189 PolarHBondContact O-N 2.87Å
190S90.4Very high90Very high43 Ų4371.6 Ų71.630%0.30134%0.339SS..  trans-68.9142.4176.2740000110.8R186 D188R186-S190 VanDerWaalsContact CD-OG 3.26Å; R186-S190 WeakPolarHBondContact CD-OG 3.27Å; R186-S190 PolarHBondContact N-O 3.29Å; D188-S190 VanDerWaalsContact CG-OG 3.29Å; D188-S190 PolarHBondContact O-N 2.81Å; D188-S190 WeakPolarHBondContact OD1-CB 3.45Å; D188-S190 PolarHBondContact OD1-N 3.4Å; D188-S190 PolarHBondContact OD1-OG 2.79Å; D188-S190 PolarHBondContact OD2-OG 2.83Å
191K90.4Very high89.8Confident126 Ų12677 Ų7755%0.54836%0.363SS..EExtended strand (participates in β ladder)trans-99.6127.2-176.6-67.1172.7174-171.90110.4Q183 Y184 F193Q183-K191 HydrophobicContact CG-CB 4.05Å; Q183-K191 HydrophobicContact CG-CD 4.35Å; Q183-K191 HydrophobicContact CG-CG 4.21Å; Q183-K191 VanDerWaalsContact NE2-CD 3.28Å; Y184-K191 CarbonylContact O-C 3.56Å; Y184-K191 WeakPolarHBondContact O-CA 3.46Å; K191-F193 HydrophobicContact CB-CE2 4.1Å; K191-F193 HydrophobicContact CB-CZ 4.39Å
192K91.1Very high89.6Confident24 Ų2472 Ų7210%0.10436%0.356CS..EExtended strand (participates in β ladder)trans-105.8125.5171.3-153.3-176.4-171.4-1690108.9Q183 Y184 F211 D214 Y218Q183-K192 WeakPolarHBondContact CA-O 3.45Å; Y184-K192 PolarHBondContact N-O 2.85Å; Y184-K192 PolarHBondContact O-N 2.69Å; K192-F211 HydrophobicContact CB-CD1 3.96Å; K192-F211 HydrophobicContact CB-CE1 4.16Å; K192-F211 HydrophobicContact CD-CB 3.8Å; K192-F211 HydrophobicContact CD-CD1 3.66Å; K192-F211 HydrophobicContact CD-CD2 4.06Å; K192-F211 HydrophobicContact CD-CE1 4.24Å; K192-F211 HydrophobicContact CD-CG 3.57Å; K192-F211 VanDerWaalsContact CE-CB 3.43Å; K192-F211 HydrophobicContact CG-CB 4.05Å; K192-F211 HydrophobicContact CG-CD1 3.58Å; K192-F211 HydrophobicContact CG-CE1 4.25Å; K192-F211 HydrophobicContact CG-CG 3.93Å; K192-D214 IonicContact NZ-OD2 2.84Å; K192-D214 PolarHBondContact NZ-OD2 3.13Å; K192-Y218 PolarHBondContact NZ-OH 2.88Å; K192-Y218 VanDerWaalsContact NZ-OH 3.15Å
193F93.9Very high89.4Confident95 Ų9572.1 Ų72.142%0.41736%0.355SS..EExtended strand (participates in β ladder)trans-99135.6176.9-66-86.6000110.3V182 Q183 K191 F211 L212V182-F193 WeakPolarHBondContact O-CA 3.16Å; Q183-F193 HydrophobicContact CB-CD1 4.22Å; Q183-F193 HydrophobicContact CB-CE1 4.08Å; Q183-F193 HydrophobicContact CG-CD1 4.19Å; Q183-F193 HydrophobicContact CG-CE1 3.79Å; Q183-F193 HydrophobicContact CG-CZ 4.1Å; K191-F193 HydrophobicContact CB-CE2 4.1Å; K191-F193 HydrophobicContact CB-CZ 4.39Å; F193-F211 WeakPolarHBondContact O-CD1 3.34Å; F193-L212 HydrophobicContact CB-CD1 4.1Å; F193-L212 PolarHBondContact O-N 3.27Å
194G92.9Very high89.1Confident0 Ų070.6 Ų70.60%035%0.353CS..EExtended strand (participates in β ladder)trans-143.7169.8178.400000111.9W181 V182 K210W181-G194 CarbonylContact C-O 3.48Å; W181-G194 WeakPolarHBondContact CA-O 3.45Å; V182-G194 WeakPolarHBondContact CG2-O 3.06Å; V182-G194 PolarHBondContact N-O 3.44Å; V182-G194 PolarHBondContact O-N 2.74Å; G194-K210 CarbonylContact C-O 3.57Å; G194-K210 VanDerWaalsContact CA-O 3.25Å; G194-K210 WeakPolarHBondContact CA-O 3.27Å
195K92.9Very high89.2Confident66 Ų6669 Ų6929%0.28735%0.354SS..EExtended strand (participates in β ladder)trans-116.8135.4176.6-163.5172.4-176.6179.10108.8G179 S180 V197 I209 K210G179-K195 WeakPolarHBondContact O-CE 3.4Å; S180-K195 WeakPolarHBondContact O-CA 3.46Å; K195-V197 HydrophobicContact CB-CG1 4.47Å; K195-V197 PolarHBondContact O-N 2.9Å; K195-I209 WeakPolarHBondContact O-CA 3.49Å; K195-K210 PolarHBondContact N-O 3.04Å; K195-K210 PolarHBondContact O-N 3.09Å
196V92.6Very high89.3Confident0 Ų065.5 Ų65.50%033%0.333CS..EExtended strand (participates in β ladder)trans-70.7119.3168.1179.40000107.2L177 G179 S180 V182 Y207 I209 L222L177-V196 VanDerWaalsContact O-CB 3.27Å; L177-V196 WeakPolarHBondContact O-CB 3.47Å; G179-V196 WeakPolarHBondContact CA-O 3.45Å; G179-V196 PolarHBondContact N-O 2.75Å; S180-V196 PolarHBondContact O-N 2.88Å; V182-V196 HydrophobicContact CG1-CG2 3.72Å; V196-Y207 HydrophobicContact CG1-CD1 3.57Å; V196-Y207 HydrophobicContact CG1-CE1 4.45Å; V196-Y207 HydrophobicContact CG1-CG 4.21Å; V196-I209 HydrophobicContact CG2-CG1 4.43Å; V196-L222 HydrophobicContact CG2-CD1 4.35Å
197V92.6Very high89.7Confident5 Ų560.7 Ų60.73%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-110.5-22.5-171.8-680000113.7L47 T49 L53 K195 F208 K210 I217L47-V197 HydrophobicContact CD1-CB 3.81Å; L47-V197 HydrophobicContact CD1-CG1 4.31Å; L47-V197 HydrophobicContact CD1-CG2 3.85Å; L47-V197 HydrophobicContact CD2-CB 4.27Å; L47-V197 HydrophobicContact CD2-CG2 4.26Å; T49-V197 PolarHBondContact OG1-O 2.89Å; L53-V197 HydrophobicContact CD2-CG1 4.19Å; K195-V197 HydrophobicContact CB-CG1 4.47Å; K195-V197 PolarHBondContact O-N 2.9Å; V197-F208 HydrophobicContact CG2-CB 3.97Å; V197-F208 WeakPolarHBondContact CG2-O 3.37Å; V197-F208 PolarHBondContact N-O 2.75Å; V197-K210 HydrophobicContact CG1-CB 3.81Å; V197-K210 HydrophobicContact CG2-CB 4.32Å; V197-I217 HydrophobicContact CG2-CD1 4.44Å
198Y91Very high90.1Very high74 Ų7453 Ų5329%0.2927%0.273SS..EExtended strand (participates in β ladder)trans-156.6153.1-177.7-170.6-101.3000110.8L47 Y207 F208L47-Y198 HydrophobicContact CD2-CD2 4.41Å; Y198-Y207 CarbonylContact O-C 3.55Å; Y198-Y207 WeakPolarHBondContact O-CA 3.33Å; Y198-F208 AromaticContact CD1-CD2 3.74Å; Y198-F208 HydrophobicContact CD1-CD2 3.74Å; Y198-F208 AromaticContact CD1-CE2 3.73Å; Y198-F208 HydrophobicContact CD1-CE2 3.73Å; Y198-F208 HydrophobicContact CD1-CG 4.16Å; Y198-F208 HydrophobicContact CD1-CZ 4.13Å; Y198-F208 HydrophobicContact CE1-CE2 4.31Å; Y198-F208 HydrophobicContact CG-CD2 4.15Å; Y198-F208 HydrophobicContact CG-CE2 4.49Å; Y198-F208 PolarHBondContact O-N 3.23Å
199K89.6Confident90.2Very high19 Ų1948 Ų488%0.08325%0.246CC..EExtended strand (participates in β ladder)trans-119.3130.5173.9179.8-178.3170.8-173.50108.3D175 I178 L201 P204 Y207D175-K199 WeakPolarHBondContact OD1-CD 3.44Å; D175-K199 IonicContact OD1-NZ 2.76Å; D175-K199 PolarHBondContact OD1-NZ 2.96Å; I178-K199 HydrophobicContact CD1-CB 4Å; I178-K199 HydrophobicContact CG1-CB 4.3Å; K199-L201 PolarHBondContact O-N 3.08Å; K199-P204 WeakPolarHBondContact CE-O 3.48Å; K199-Y207 HydrophobicContact CB-CD1 3.97Å; K199-Y207 HydrophobicContact CB-CE1 3.84Å; K199-Y207 HydrophobicContact CD-CE1 3.84Å; K199-Y207 HydrophobicContact CG-CD1 4.15Å; K199-Y207 HydrophobicContact CG-CE1 3.69Å
200A87.6Confident90.6Very high4 Ų441.9 Ų41.93%0.03322%0.217CC..  trans-69.1127.2-177.800000110.4A202 N203 V206A200-A202 PolarHBondContact O-N 3.13Å; A200-N203 CarbonylContact O-C 3.59Å; A200-N203 PolarHBondContact O-N 2.85Å; A200-N203 VanDerWaalsContact O-O 3.06Å; A200-V206 HydrophobicContact CB-CB 4Å; A200-V206 HydrophobicContact CB-CG1 4.22Å; A200-V206 PolarHBondContact N-O 3.07Å
201L85.8Confident90.8Very high156 Ų15640 Ų4082%0.81720%0.204SC*.SBendtrans-65.9-40.2-175-66.2174.4000112.6K199 N203K199-L201 PolarHBondContact O-N 3.08Å; L201-N203 VanDerWaalsContact C-N 3.34Å
202A86.2Confident90.9Very high51 Ų5139 Ų3942%0.42120%0.204SC..SBendtrans-78.9-19.7-178.300000113V100 A200V100-A202 HydrophobicContact CG1-CB 3.49Å; V100-A202 VanDerWaalsContact CG1-CB 3.49Å; A200-A202 PolarHBondContact O-N 3.13Å
203N86.9Confident90.8Very high36 Ų3641.4 Ų41.419%0.19324%0.236CC..  trans-139.994.7176.8-169.8-24000110.5A200 L201 T205 V206A200-N203 CarbonylContact O-C 3.59Å; A200-N203 PolarHBondContact O-N 2.85Å; A200-N203 VanDerWaalsContact O-O 3.06Å; L201-N203 VanDerWaalsContact C-N 3.34Å; N203-T205 PolarHBondContact O-N 2.79Å; N203-T205 PolarHBondContact OD1-N 2.85Å; N203-T205 PolarHBondContact OD1-OG1 2.87Å; N203-V206 HydrophobicContact CB-CB 4.41Å; N203-V206 HydrophobicContact CB-CG2 3.91Å; N203-V206 WeakPolarHBondContact O-CB 3.41Å; N203-V206 PolarHBondContact O-N 3.33Å
204P84.6Confident90.8Very high63 Ų6338.3 Ų38.341%0.40922%0.223SC..THydrogen-bonded Turntrans-69.6-5.2-172.426.8-33.8000114.5K199 V206 Y207K199-P204 WeakPolarHBondContact CE-O 3.48Å; P204-V206 VanDerWaalsContact C-N 3.32Å; P204-Y207 PolarHBondContact O-OH 3.41Å
205T86.3Confident91Very high65 Ų6540 Ų4040%0.39923%0.232SC..THydrogen-bonded Turntrans-84.9-9.5172.168.20000112.8N203 Y207 T221 L222N203-T205 PolarHBondContact O-N 2.79Å; N203-T205 PolarHBondContact OD1-N 2.85Å; N203-T205 PolarHBondContact OD1-OG1 2.87Å; T205-Y207 VanDerWaalsContact O-CD2 3.31Å; T205-Y207 WeakPolarHBondContact O-CD2 3.1Å; T205-Y207 WeakPolarHBondContact O-CE2 3.35Å; T205-T221 CarbonylContact O-C 3.44Å; T205-T221 WeakPolarHBondContact O-CA 3.44Å; T205-L222 PolarHBondContact O-N 3.28Å
206V90.6Very high91.2Very high0 Ų039.4 Ų39.40%023%0.23CC..EExtended strand (participates in β ladder)trans-104129.6-173.4-179.50000110.7M121 L123 A200 N203 P204 V219 Y220M121-V206 HydrophobicContact CE-CB 4.47Å; M121-V206 HydrophobicContact CE-CG1 4.33Å; M121-V206 HydrophobicContact CE-CG2 3.38Å; L123-V206 HydrophobicContact CD2-CG1 3.95Å; A200-V206 HydrophobicContact CB-CB 4Å; A200-V206 HydrophobicContact CB-CG1 4.22Å; A200-V206 PolarHBondContact N-O 3.07Å; N203-V206 HydrophobicContact CB-CB 4.41Å; N203-V206 HydrophobicContact CB-CG2 3.91Å; N203-V206 WeakPolarHBondContact O-CB 3.41Å; N203-V206 PolarHBondContact O-N 3.33Å; P204-V206 VanDerWaalsContact C-N 3.32Å; V206-V219 HydrophobicContact CG1-CG1 3.47Å; V206-V219 VanDerWaalsContact CG1-CG1 3.47Å; V206-Y220 WeakPolarHBondContact CA-O 3.47Å
207Y92.6Very high91.4Very high8 Ų839.4 Ų39.43%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-128145.2-173.9-66.2-92000111.5N174 L177 V196 Y198 K199 P204 T205 V219 Y220 L222N174-Y207 PolarHBondContact O-OH 2.85Å; L177-Y207 HydrophobicContact CB-CD1 4.47Å; L177-Y207 HydrophobicContact CB-CE1 3.94Å; L177-Y207 HydrophobicContact CD1-CE1 4.13Å; L177-Y207 HydrophobicContact CD1-CE2 4.1Å; V196-Y207 HydrophobicContact CG1-CD1 3.57Å; V196-Y207 HydrophobicContact CG1-CE1 4.45Å; V196-Y207 HydrophobicContact CG1-CG 4.21Å; Y198-Y207 CarbonylContact O-C 3.55Å; Y198-Y207 WeakPolarHBondContact O-CA 3.33Å; K199-Y207 HydrophobicContact CB-CD1 3.97Å; K199-Y207 HydrophobicContact CB-CE1 3.84Å; K199-Y207 HydrophobicContact CD-CE1 3.84Å; K199-Y207 HydrophobicContact CG-CD1 4.15Å; K199-Y207 HydrophobicContact CG-CE1 3.69Å; P204-Y207 PolarHBondContact O-OH 3.41Å; T205-Y207 VanDerWaalsContact O-CD2 3.31Å; T205-Y207 WeakPolarHBondContact O-CD2 3.1Å; T205-Y207 WeakPolarHBondContact O-CE2 3.35Å; Y207-V219 WeakPolarHBondContact O-CA 3.39Å; Y207-Y220 PolarHBondContact N-O 2.84Å; Y207-Y220 PolarHBondContact O-N 3.29Å; Y207-L222 HydrophobicContact CD2-CB 3.7Å; Y207-L222 HydrophobicContact CD2-CD1 3.63Å; Y207-L222 HydrophobicContact CD2-CG 3.74Å; Y207-L222 HydrophobicContact CE2-CB 3.95Å; Y207-L222 HydrophobicContact CE2-CD1 4.29Å; Y207-L222 HydrophobicContact CE2-CG 4.45Å; Y207-L222 HydrophobicContact CG-CD1 3.76Å; Y207-L222 HydrophobicContact CG-CG 4.27Å
208F94.2Very high91.6Very high6 Ų641 Ų413%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-95.8131.1171.3-60.71.1000108.7L123 L143 V197 Y198 I217 Y218 V219L123-F208 HydrophobicContact CD1-CE1 3.93Å; L123-F208 HydrophobicContact CD1-CZ 4.14Å; L143-F208 HydrophobicContact CD1-CE1 4.44Å; L143-F208 HydrophobicContact CD1-CE2 4.2Å; L143-F208 HydrophobicContact CD1-CZ 3.94Å; L143-F208 HydrophobicContact CD2-CD2 4.18Å; L143-F208 HydrophobicContact CD2-CE2 3.84Å; L143-F208 HydrophobicContact CD2-CZ 4.41Å; V197-F208 HydrophobicContact CG2-CB 3.97Å; V197-F208 WeakPolarHBondContact CG2-O 3.37Å; V197-F208 PolarHBondContact N-O 2.75Å; Y198-F208 AromaticContact CD1-CD2 3.74Å; Y198-F208 HydrophobicContact CD1-CD2 3.74Å; Y198-F208 AromaticContact CD1-CE2 3.73Å; Y198-F208 HydrophobicContact CD1-CE2 3.73Å; Y198-F208 HydrophobicContact CD1-CG 4.16Å; Y198-F208 HydrophobicContact CD1-CZ 4.13Å; Y198-F208 HydrophobicContact CE1-CE2 4.31Å; Y198-F208 HydrophobicContact CG-CD2 4.15Å; Y198-F208 HydrophobicContact CG-CE2 4.49Å; Y198-F208 PolarHBondContact O-N 3.23Å; F208-I217 HydrophobicContact CB-CG2 3.77Å; F208-I217 HydrophobicContact CD2-CG2 4.08Å; F208-I217 HydrophobicContact CG-CG2 4.05Å; F208-Y218 CarbonylContact C-O 3.5Å; F208-Y218 VanDerWaalsContact CA-O 3.25Å; F208-Y218 WeakPolarHBondContact CA-O 3.26Å; F208-V219 HydrophobicContact CD1-CG1 4.27Å; F208-V219 HydrophobicContact CD1-CG2 3.97Å; F208-V219 HydrophobicContact CE1-CG1 4.25Å; F208-V219 HydrophobicContact CE1-CG2 4.1Å
209I94.6Very high91.8Very high5 Ų538 Ų383%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-122.6125.2-175.5-53.7-175.4000108.5V182 K195 V196 F211 Y218 Y220V182-I209 HydrophobicContact CG2-CD1 4.14Å; V182-I209 HydrophobicContact CG2-CG2 3.56Å; K195-I209 WeakPolarHBondContact O-CA 3.49Å; V196-I209 HydrophobicContact CG2-CG1 4.43Å; I209-F211 HydrophobicContact CG2-CD2 4.3Å; I209-F211 HydrophobicContact CG2-CE1 4.27Å; I209-F211 HydrophobicContact CG2-CE2 3.99Å; I209-F211 HydrophobicContact CG2-CZ 3.96Å; I209-Y218 PolarHBondContact N-O 2.6Å; I209-Y218 PolarHBondContact O-N 3.29Å; I209-Y220 HydrophobicContact CD1-CD2 3.65Å; I209-Y220 HydrophobicContact CD1-CE2 4.48Å; I209-Y220 HydrophobicContact CD1-CG 4.25Å; I209-Y220 HydrophobicContact CG1-CD2 4.24Å
210K95.3Very high91.9Very high33 Ų3339.9 Ų39.914%0.14323%0.232CC..EExtended strand (participates in β ladder)trans-102.8108.6172.7-179.360.5-179.956.80109.2L53 G66 G194 K195 V197 D214 I217L53-K210 HydrophobicContact CD2-CB 4.26Å; L53-K210 HydrophobicContact CD2-CG 3.96Å; G66-K210 WeakPolarHBondContact O-CE 3.22Å; G194-K210 CarbonylContact C-O 3.57Å; G194-K210 VanDerWaalsContact CA-O 3.25Å; G194-K210 WeakPolarHBondContact CA-O 3.27Å; K195-K210 PolarHBondContact N-O 3.04Å; K195-K210 PolarHBondContact O-N 3.09Å; V197-K210 HydrophobicContact CG1-CB 3.81Å; V197-K210 HydrophobicContact CG2-CB 4.32Å; K210-D214 WeakPolarHBondContact CE-O 3.4Å; K210-D214 PolarHBondContact NZ-O 3.03Å; K210-I217 HydrophobicContact CB-CD1 4.15Å; K210-I217 HydrophobicContact CD-CD1 3.92Å; K210-I217 HydrophobicContact CG-CD1 4.47Å
211F94.6Very high91.9Very high4 Ų443.4 Ų43.42%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-78.3149.9174.9-69.6-79.1000112.3K192 F193 I209 D214 Y218 Y220K192-F211 HydrophobicContact CB-CD1 3.96Å; K192-F211 HydrophobicContact CB-CE1 4.16Å; K192-F211 HydrophobicContact CD-CB 3.8Å; K192-F211 HydrophobicContact CD-CD1 3.66Å; K192-F211 HydrophobicContact CD-CD2 4.06Å; K192-F211 HydrophobicContact CD-CE1 4.24Å; K192-F211 HydrophobicContact CD-CG 3.57Å; K192-F211 VanDerWaalsContact CE-CB 3.43Å; K192-F211 HydrophobicContact CG-CB 4.05Å; K192-F211 HydrophobicContact CG-CD1 3.58Å; K192-F211 HydrophobicContact CG-CE1 4.25Å; K192-F211 HydrophobicContact CG-CG 3.93Å; F193-F211 WeakPolarHBondContact O-CD1 3.34Å; I209-F211 HydrophobicContact CG2-CD2 4.3Å; I209-F211 HydrophobicContact CG2-CE1 4.27Å; I209-F211 HydrophobicContact CG2-CE2 3.99Å; I209-F211 HydrophobicContact CG2-CZ 3.96Å; F211-D214 HydrophobicContact CB-CB 4.31Å; F211-Y218 AromaticContact CD2-CD2 3.41Å; F211-Y218 HydrophobicContact CD2-CD2 3.41Å; F211-Y218 VanDerWaalsContact CD2-CD2 3.41Å; F211-Y218 AromaticContact CD2-CE2 3.69Å; F211-Y218 HydrophobicContact CD2-CE2 3.69Å; F211-Y218 AromaticContact CD2-CG 3.88Å; F211-Y218 HydrophobicContact CD2-CG 3.88Å; F211-Y218 HydrophobicContact CE2-CD1 4.27Å; F211-Y218 AromaticContact CE2-CD2 3.84Å; F211-Y218 HydrophobicContact CE2-CD2 3.84Å; F211-Y218 HydrophobicContact CE2-CE2 4.3Å; F211-Y218 AromaticContact CE2-CG 3.78Å; F211-Y218 HydrophobicContact CE2-CG 3.78Å; F211-Y220 HydrophobicContact CE2-CE2 4.11Å; F211-Y220 HydrophobicContact CZ-CE2 4.39Å
212L92.5Very high91.7Very high105 Ų10538.7 Ų38.755%0.5523%0.229SC..THydrogen-bonded Turntrans-63.8141.3173.3-66.2178.8000110.8W181 F193 D214W181-L212 HydrophobicContact CH2-CD1 4.2Å; W181-L212 HydrophobicContact CH2-CD2 3.99Å; W181-L212 HydrophobicContact CH2-CG 4.35Å; W181-L212 HydrophobicContact CZ3-CD1 3.82Å; W181-L212 HydrophobicContact CZ3-CD2 4.02Å; W181-L212 HydrophobicContact CZ3-CG 3.91Å; F193-L212 HydrophobicContact CB-CD1 4.1Å; F193-L212 PolarHBondContact O-N 3.27Å; L212-D214 PolarHBondContact O-N 3.02Å
213G90.5Very high91Very high75 Ų7540.9 Ų40.977%0.77324%0.237SC*.THydrogen-bonded Turntrans71.9-13.6179.600000115.7
214D94Very high89.7Confident30 Ų3041.8 Ų41.816%0.1625%0.246CC..  trans-90161.5176.4-147.9-50000111.5K192 K210 F211 L212 H216 Y218K192-D214 IonicContact NZ-OD2 2.84Å; K192-D214 PolarHBondContact NZ-OD2 3.13Å; K210-D214 WeakPolarHBondContact CE-O 3.4Å; K210-D214 PolarHBondContact NZ-O 3.03Å; F211-D214 HydrophobicContact CB-CB 4.31Å; L212-D214 PolarHBondContact O-N 3.02Å; D214-H216 IonicContact OD1-CE1 3.75Å; D214-H216 IonicContact OD1-CG 3.68Å; D214-H216 PolarHBondContact OD1-N 3.35Å; D214-H216 IonicContact OD1-ND1 2.98Å; D214-H216 PolarHBondContact OD1-ND1 2.86Å; D214-Y218 PolarHBondContact OD2-OH 2.99Å; D214-Y218 VanDerWaalsContact OD2-OH 3.04Å
215L95.5Very high88.1Confident35 Ų3545.4 Ų45.418%0.18326%0.262CS..  trans-104.9-20.7169.9-62.2179.6000112.1W29 Y65 G66 Q67W29-L215 HydrophobicContact CH2-CD1 3.69Å; W29-L215 HydrophobicContact CH2-CD2 4.13Å; W29-L215 HydrophobicContact CH2-CG 4.49Å; W29-L215 HydrophobicContact CZ2-CD1 3.78Å; Y65-L215 CarbonylContact C-O 3.56Å; Y65-L215 WeakPolarHBondContact CA-O 3.33Å; Y65-L215 HydrophobicContact CD1-CB 3.56Å; Y65-L215 HydrophobicContact CE1-CB 4.2Å; G66-L215 PolarHBondContact N-O 2.93Å; Q67-L215 HydrophobicContact CG-CD2 4.33Å; Q67-L215 VanDerWaalsContact NE2-CD2 3.27Å
216H97.4Very high85.9Confident53 Ų5349.7 Ų49.725%0.24528%0.281CS..BIsolated β-bridgetrans-72.5150.2-178.2-59.392.3000112Y65 V142 D214 Y218Y65-H216 AromaticContact CE1-CD2 3.72Å; Y65-H216 AromaticContact CE1-NE2 3.46Å; Y65-H216 WeakPolarHBondContact CE1-NE2 3.49Å; Y65-H216 AromaticContact CZ-NE2 3.96Å; V142-H216 HydrophobicContact CG1-CB 4.06Å; D214-H216 IonicContact OD1-CE1 3.75Å; D214-H216 IonicContact OD1-CG 3.68Å; D214-H216 PolarHBondContact OD1-N 3.35Å; D214-H216 IonicContact OD1-ND1 2.98Å; D214-H216 PolarHBondContact OD1-ND1 2.86Å; H216-Y218 HydrophobicContact CB-CD2 4.34Å; H216-Y218 HydrophobicContact CB-CE2 3.93Å
217I96.8Very high83.2Confident0 Ų059 Ų590%034%0.338CS..EExtended strand (participates in β ladder)trans-94.5124.5163.2-62.7-69.3000107.4L55 V142 L143 V197 F208 K210L55-I217 HydrophobicContact CD2-CD1 4.01Å; L55-I217 HydrophobicContact CD2-CG1 3.78Å; V142-I217 CarbonylContact C-O 3.5Å; V142-I217 WeakPolarHBondContact CA-O 3.12Å; L143-I217 HydrophobicContact CB-CB 3.96Å; L143-I217 HydrophobicContact CB-CG2 4Å; L143-I217 HydrophobicContact CD2-CB 4.2Å; L143-I217 HydrophobicContact CD2-CG2 3.93Å; L143-I217 PolarHBondContact N-O 2.57Å; V197-I217 HydrophobicContact CG2-CD1 4.44Å; F208-I217 HydrophobicContact CB-CG2 3.77Å; F208-I217 HydrophobicContact CD2-CG2 4.08Å; F208-I217 HydrophobicContact CG-CG2 4.05Å; K210-I217 HydrophobicContact CB-CD1 4.15Å; K210-I217 HydrophobicContact CD-CD1 3.92Å; K210-I217 HydrophobicContact CG-CD1 4.47Å
218Y96.5Very high82.7Confident38 Ų3861.6 Ų61.615%0.14935%0.353CS..EExtended strand (participates in β ladder)trans-96.4149.8176.8-70.8-101.3000110.5P141 V142 K192 F208 I209 F211 D214 H216 Y220P141-Y218 HydrophobicContact CG-CD1 4.44Å; P141-Y218 CarbonylContact O-C 3.6Å; P141-Y218 VanDerWaalsContact O-CA 3.25Å; P141-Y218 WeakPolarHBondContact O-CA 3.18Å; V142-Y218 HydrophobicContact CG1-CD1 4.04Å; V142-Y218 HydrophobicContact CG1-CE1 3.87Å; K192-Y218 PolarHBondContact NZ-OH 2.88Å; K192-Y218 VanDerWaalsContact NZ-OH 3.15Å; F208-Y218 CarbonylContact C-O 3.5Å; F208-Y218 VanDerWaalsContact CA-O 3.25Å; F208-Y218 WeakPolarHBondContact CA-O 3.26Å; I209-Y218 PolarHBondContact N-O 2.6Å; I209-Y218 PolarHBondContact O-N 3.29Å; F211-Y218 AromaticContact CD2-CD2 3.41Å; F211-Y218 HydrophobicContact CD2-CD2 3.41Å; F211-Y218 VanDerWaalsContact CD2-CD2 3.41Å; F211-Y218 AromaticContact CD2-CE2 3.69Å; F211-Y218 HydrophobicContact CD2-CE2 3.69Å; F211-Y218 AromaticContact CD2-CG 3.88Å; F211-Y218 HydrophobicContact CD2-CG 3.88Å; F211-Y218 HydrophobicContact CE2-CD1 4.27Å; F211-Y218 AromaticContact CE2-CD2 3.84Å; F211-Y218 HydrophobicContact CE2-CD2 3.84Å; F211-Y218 HydrophobicContact CE2-CE2 4.3Å; F211-Y218 AromaticContact CE2-CG 3.78Å; F211-Y218 HydrophobicContact CE2-CG 3.78Å; D214-Y218 PolarHBondContact OD2-OH 2.99Å; D214-Y218 VanDerWaalsContact OD2-OH 3.04Å; H216-Y218 HydrophobicContact CB-CD2 4.34Å; H216-Y218 HydrophobicContact CB-CE2 3.93Å; Y218-Y220 HydrophobicContact CD1-CE2 4.13Å; Y218-Y220 HydrophobicContact CG-CE2 4.21Å
219V95.5Very high82.1Confident12 Ų1264.5 Ų64.57%0.07337%0.37CS..EExtended strand (participates in β ladder)trans-122121.3-178.9-175.40000108.5L123 P141 L143 V206 Y207 F208L123-V219 HydrophobicContact CD1-CB 4.46Å; L123-V219 HydrophobicContact CD1-CG1 3.89Å; L123-V219 HydrophobicContact CD1-CG2 3.88Å; L123-V219 HydrophobicContact CD2-CG1 3.96Å; P141-V219 PolarHBondContact O-N 3.02Å; L143-V219 HydrophobicContact CB-CG2 4.04Å; L143-V219 HydrophobicContact CD1-CG2 4.02Å; V206-V219 HydrophobicContact CG1-CG1 3.47Å; V206-V219 VanDerWaalsContact CG1-CG1 3.47Å; Y207-V219 WeakPolarHBondContact O-CA 3.39Å; F208-V219 HydrophobicContact CD1-CG1 4.27Å; F208-V219 HydrophobicContact CD1-CG2 3.97Å; F208-V219 HydrophobicContact CE1-CG1 4.25Å; F208-V219 HydrophobicContact CE1-CG2 4.1Å
220Y92.2Very high81.4Confident59 Ų5967.8 Ų67.823%0.23139%0.389CS..EExtended strand (participates in β ladder)trans-133.4141.3-179.9-72.6-81000111P141 V206 Y207 I209 F211 Y218P141-Y220 HydrophobicContact CB-CE1 4.42Å; P141-Y220 HydrophobicContact CG-CE1 4.33Å; V206-Y220 WeakPolarHBondContact CA-O 3.47Å; Y207-Y220 PolarHBondContact N-O 2.84Å; Y207-Y220 PolarHBondContact O-N 3.29Å; I209-Y220 HydrophobicContact CD1-CD2 3.65Å; I209-Y220 HydrophobicContact CD1-CE2 4.48Å; I209-Y220 HydrophobicContact CD1-CG 4.25Å; I209-Y220 HydrophobicContact CG1-CD2 4.24Å; F211-Y220 HydrophobicContact CE2-CE2 4.11Å; F211-Y220 HydrophobicContact CZ-CE2 4.39Å; Y218-Y220 HydrophobicContact CD1-CE2 4.13Å; Y218-Y220 HydrophobicContact CG-CE2 4.21Å
221T88.1Confident80.6Confident78 Ų7869.8 Ų69.848%0.47940%0.404SS..EExtended strand (participates in β ladder)trans-79.3116.5161.4-55.60000107.9T205 V223T205-T221 CarbonylContact O-C 3.44Å; T205-T221 WeakPolarHBondContact O-CA 3.44Å; T221-V223 HydrophobicContact CG2-CG2 4.18Å
222L80Confident79.7Confident56 Ų5673.9 Ų73.929%0.29343%0.428SS..  trans-99.1120.7174.9-62.5177.9000108.2L177 V196 T205 Y207L177-L222 HydrophobicContact CD1-CD1 4.1Å; V196-L222 HydrophobicContact CG2-CD1 4.35Å; T205-L222 PolarHBondContact O-N 3.28Å; Y207-L222 HydrophobicContact CD2-CB 3.7Å; Y207-L222 HydrophobicContact CD2-CD1 3.63Å; Y207-L222 HydrophobicContact CD2-CG 3.74Å; Y207-L222 HydrophobicContact CE2-CB 3.95Å; Y207-L222 HydrophobicContact CE2-CD1 4.29Å; Y207-L222 HydrophobicContact CE2-CG 4.45Å; Y207-L222 HydrophobicContact CG-CD1 3.76Å; Y207-L222 HydrophobicContact CG-CG 4.27Å
223V71.4Confident78.9Confident98 Ų9871.9 Ų71.959%0.59442%0.42SS*.  trans-110.6123.8175.8-160.30000107.4T221 N225T221-V223 HydrophobicContact CG2-CG2 4.18Å; V223-N225 PolarHBondContact O-N 3.07Å
224S60.2Low78Confident55 Ų5571.6 Ų71.639%0.38540%0.395SS..  trans-64.8107.1173.5-56.40000108.8I226S224-I226 PolarHBondContact O-N 3.21Å
225N52.2Low76.8Confident139 Ų13974.8 Ų74.874%0.74341%0.413SS*.  trans-77.283.9162.9-73.6-12.1000106.9V223 T227V223-N225 PolarHBondContact O-N 3.07Å; N225-T227 PolarHBondContact O-N 2.91Å; N225-T227 PolarHBondContact O-OG1 3.36Å
226I39Very low75.2Confident155 Ų15578.2 Ų78.280%0.79543%0.432SS*.  trans-63.9107.6162.2-52.2174.5000104.6S224S224-I226 PolarHBondContact O-N 3.21Å
227T33.6Very low73.2Confident195 Ų19580.5 Ų80.5100%1.19645%0.449SS*.  trans-101.10174.9-30.10000108.1N225N225-T227 PolarHBondContact O-N 2.91Å; N225-T227 PolarHBondContact O-OG1 3.36Å

Retrieved 227 of 227 residues in 138.1 ms (Link to these results)

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