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Uridine-cytidine kinase 2

Phosphorylates uridine and cytidine to uridine monophosphate and cytidine monophosphate. Does not phosphorylate deoxyribonucleosides or purine ribonucleosides. Can use ATP or GTP as a phosphate donor.

AlphaFold DB (Q9QYG8), UniProt , Accession Q99PM9, Species MOUSE (Mus musculus, Mouse), Gene Uck2, Length 261 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
1M42.5Very low39.2Very low241 Ų241151 Ų151100%1.18785%0.853SS**  0128.80-74.5-150.5-85.200107.1
2A42.8Very low39Very low111 Ų111151 Ų15192%0.91784%0.841SS**  trans63.5115.4-177.500000115.2
3G36.7Very low38.6Very low75 Ų75152.7 Ų152.777%0.77384%0.838SS**  cis112.363.311.400000111.1
4D41.6Very low38.4Very low173 Ų173154.4 Ų154.493%0.92584%0.837SS**  trans-101.3110.9164.7-85.8-25.5000108.5
5S43Very low38.9Very low110 Ų110149 Ų14977%0.76981%0.813SS**  trans-113.1103.7170.551.20000108.3Q7S5-Q7 PolarHBondContact O-N 3.31Å
6E43Very low39.6Very low190 Ų190148.6 Ų148.689%0.88881%0.81SS**  trans-63.7121.2169.3-75.5179.1141.500109.9T8E6-T8 PolarHBondContact O-N 3.13Å
7Q38.9Very low40.4Very low182 Ų182145.2 Ų145.285%0.8582%0.818SS**  trans-75.4108.9169.3-78.6178.2-22.500109.6S5 L9S5-Q7 PolarHBondContact O-N 3.31Å; Q7-L9 PolarHBondContact O-N 3.26Å; Q7-L9 VanDerWaalsContact O-N 3.12Å
8T37Very low42.1Very low127 Ų127140.5 Ų140.578%0.77981%0.807SS**  trans-68.4101.3167.4-42.20000109.7E6 Q10E6-T8 PolarHBondContact O-N 3.13Å; T8-Q10 PolarHBondContact O-N 3.43Å
9L37.6Very low44.5Very low152 Ų152140.4 Ų140.480%0.79680%0.799SS**  trans-74.197.9166.8-81150.3000109.2Q7 N11Q7-L9 PolarHBondContact O-N 3.26Å; Q7-L9 VanDerWaalsContact O-N 3.12Å; L9-N11 PolarHBondContact O-N 3.46Å
10Q36.4Very low47.1Very low152 Ų152133.9 Ų133.971%0.7176%0.762SS**  trans-76.3100.2164.3-74.6-179.6-10.900108.8T8 H12T8-Q10 PolarHBondContact O-N 3.43Å; Q10-H12 PolarHBondContact O-N 3.31Å
11N31.7Very low49.5Very low148 Ų148129.6 Ų129.679%0.79174%0.735SS**  trans-6794.7168.3-87.9-20.7000109.6L9 Q13L9-N11 PolarHBondContact O-N 3.46Å; N11-Q13 PolarHBondContact O-N 3.12Å; N11-Q13 VanDerWaalsContact O-N 3.17Å
12H36.5Very low52.1Low151 Ų151118.1 Ų118.170%0.69968%0.678SS**  trans-71.998.9162.1-74.5-63.9000109Q10 Q14Q10-H12 PolarHBondContact O-N 3.31Å; H12-Q14 PolarHBondContact O-N 3.42Å
13Q34Very low54.8Low173 Ų173112.8 Ų112.881%0.80863%0.634SS**  trans-69.5110.2163.2-76.5179.9-13.900107.7N11N11-Q13 PolarHBondContact O-N 3.12Å; N11-Q13 VanDerWaalsContact O-N 3.17Å
14Q36.4Very low57.8Low176 Ų176109.2 Ų109.282%0.82260%0.597SS**PPolyproline II helixtrans-56.8140.2164.9-73.1-176.1-4.900108.5H12 N16H12-Q14 PolarHBondContact O-N 3.42Å; Q14-N16 PolarHBondContact O-N 3.04Å
15P44.7Very low60.5Low74 Ų74101 Ų10148%0.48155%0.553SS.*PPolyproline II helixtrans-53.7136.4172.122.3-30.4000108.3G17P15-G17 PolarHBondContact O-N 3.29Å
16N50.4Low63.1Low142 Ų14295.8 Ų95.876%0.75952%0.517SS*.PPolyproline II helixtrans-48.6117178.7-73.8-43.1000107.8Q14 G18Q14-N16 PolarHBondContact O-N 3.04Å; N16-G18 PolarHBondContact O-N 3.07Å
17G53.5Low65.8Low92 Ų9286.7 Ų86.795%0.94848%0.475SS*.SBendtrans-67.148.4-166.900000116.3P15P15-G17 PolarHBondContact O-N 3.29Å
18G70.9Confident68.6Low60 Ų6078.1 Ų78.162%0.61944%0.435SS*.SBendtrans-92.1155.9168.300000111.3N16N16-G18 PolarHBondContact O-N 3.07Å
19E88Confident71.5Confident139 Ų13973 Ų7365%0.6540%0.403SS*.PPolyproline II helixtrans-61.5132.9169.6-173.2178.4-176.700109.6
20P95.9Very high74.3Confident9 Ų966.6 Ų66.66%0.05837%0.372CS..PPolyproline II helixtrans-65.2148.4-178.829.8-37.9000111.9L22 I101 T102 A129 D130 V132P20-L22 HydrophobicContact CB-CD1 4.06Å; P20-L22 HydrophobicContact CG-CD1 3.81Å; P20-L22 WeakPolarHBondContact O-CD1 3.45Å; P20-L22 PolarHBondContact O-N 3.27Å; P20-I101 HydrophobicContact CG-CG2 4.24Å; P20-I101 WeakPolarHBondContact CG-O 3.21Å; P20-T102 WeakPolarHBondContact CD-O 3.32Å; P20-A129 WeakPolarHBondContact CB-O 3.14Å; P20-D130 WeakPolarHBondContact CA-O 3.36Å; P20-V132 HydrophobicContact CB-CG2 4.39Å
21F97.4Very high77.2Confident44 Ų4459.3 Ų59.319%0.19334%0.339CS..EExtended strand (participates in β ladder)trans-87.2108.9176.3-164.6-91000110.5I23 D130 V131 V132 Q150 M151 H224 I228F21-I23 HydrophobicContact CD1-CD1 4.04Å; F21-I23 HydrophobicContact CD1-CG1 3.64Å; F21-I23 HydrophobicContact CE1-CD1 4.02Å; F21-I23 HydrophobicContact CE1-CG1 3.7Å; F21-D130 PolarHBondContact N-O 2.87Å; F21-V131 HydrophobicContact CB-CG2 4.26Å; F21-V131 WeakPolarHBondContact O-CA 3.11Å; F21-V132 PolarHBondContact O-N 3.45Å; F21-Q150 HydrophobicContact CD2-CB 3.85Å; F21-Q150 HydrophobicContact CD2-CG 4.14Å; F21-Q150 HydrophobicContact CE1-CB 4.16Å; F21-Q150 HydrophobicContact CE2-CB 3.37Å; F21-Q150 HydrophobicContact CE2-CG 4.04Å; F21-Q150 HydrophobicContact CG-CB 4.43Å; F21-Q150 HydrophobicContact CZ-CB 3.55Å; F21-M151 HydrophobicContact CE1-CB 3.91Å; F21-M151 HydrophobicContact CZ-CB 4.17Å; F21-H224 AromaticContact CZ-NE2 3.98Å; F21-I228 HydrophobicContact CB-CD1 4.26Å; F21-I228 HydrophobicContact CB-CG2 4.35Å; F21-I228 HydrophobicContact CD1-CD1 3.63Å; F21-I228 HydrophobicContact CD2-CD1 4Å; F21-I228 HydrophobicContact CE1-CD1 3.85Å; F21-I228 HydrophobicContact CE2-CD1 4.21Å; F21-I228 HydrophobicContact CG-CD1 3.7Å; F21-I228 HydrophobicContact CZ-CD1 4.13Å
22L98.4Very high80.3Confident0 Ų052.9 Ų52.90%031%0.307CS..EExtended strand (participates in β ladder)trans-90.1122.3-179.4-8964000110.9P20 L98 I101 T102 V132 L148 F149 Q150 M151P20-L22 HydrophobicContact CB-CD1 4.06Å; P20-L22 HydrophobicContact CG-CD1 3.81Å; P20-L22 WeakPolarHBondContact O-CD1 3.45Å; P20-L22 PolarHBondContact O-N 3.27Å; L22-L98 HydrophobicContact CD2-CD2 4.32Å; L22-I101 HydrophobicContact CD1-CG2 4.32Å; L22-T102 HydrophobicContact CD1-CG2 3.89Å; L22-T102 HydrophobicContact CD2-CG2 3.69Å; L22-T102 HydrophobicContact CG-CG2 4.44Å; L22-V132 HydrophobicContact CD1-CB 4.05Å; L22-V132 HydrophobicContact CD1-CG2 4.26Å; L22-V132 HydrophobicContact CG-CB 4.11Å; L22-V132 HydrophobicContact CG-CG1 4.48Å; L22-L148 HydrophobicContact CD2-CB 4.24Å; L22-F149 HydrophobicContact CB-CD1 4.05Å; L22-Q150 PolarHBondContact O-N 3.36Å; L22-Q150 PolarHBondContact O-OE1 2.83Å; L22-M151 PolarHBondContact O-N 2.9Å
23I98.7Very high83.3Confident0 Ų046.2 Ų46.20%028%0.276CS..EExtended strand (participates in β ladder)trans-112.5114.5174.7-51.3-175.3000108.5F21 V25 V131 V132 L133 F134 M151 L153 I225F21-I23 HydrophobicContact CD1-CD1 4.04Å; F21-I23 HydrophobicContact CD1-CG1 3.64Å; F21-I23 HydrophobicContact CE1-CD1 4.02Å; F21-I23 HydrophobicContact CE1-CG1 3.7Å; I23-V25 HydrophobicContact CG2-CG2 4.29Å; I23-V131 HydrophobicContact CD1-CG1 4.06Å; I23-V131 HydrophobicContact CG1-CG1 4.33Å; I23-V132 PolarHBondContact N-O 3.48Å; I23-L133 HydrophobicContact CB-CD2 3.7Å; I23-L133 HydrophobicContact CD1-CD2 3.86Å; I23-L133 HydrophobicContact CG1-CD2 4.12Å; I23-L133 HydrophobicContact CG2-CD2 4.18Å; I23-L133 CarbonylContact O-C 3.59Å; I23-L133 WeakPolarHBondContact O-CA 3.28Å; I23-F134 PolarHBondContact O-N 3.46Å; I23-M151 CarbonylContact C-O 3.56Å; I23-M151 VanDerWaalsContact CA-O 3.32Å; I23-M151 WeakPolarHBondContact CA-O 3.22Å; I23-M151 HydrophobicContact CD1-SD 4.37Å; I23-M151 HydrophobicContact CG1-CB 4.28Å; I23-M151 HydrophobicContact CG2-CB 4.22Å; I23-M151 HydrophobicContact CG2-CG 4.18Å; I23-M151 HydrophobicContact CG2-SD 4.38Å; I23-L153 HydrophobicContact CG2-CD1 3.77Å; I23-L153 HydrophobicContact CG2-CG 3.89Å; I23-I225 HydrophobicContact CD1-CD1 3.98Å; I23-I225 HydrophobicContact CD1-CG1 3.98Å
24G98.8Very high86.3Confident0 Ų040.9 Ų40.90%026%0.258CS..EExtended strand (participates in β ladder)trans-86.2136.717300000111F134 F140 M151 L153G24-F134 CarbonylContact C-O 3.59Å; G24-F134 WeakPolarHBondContact CA-O 3.48Å; G24-F140 WeakPolarHBondContact O-CZ 3.42Å; G24-M151 PolarHBondContact N-O 3.48Å; G24-L153 PolarHBondContact O-N 3.17Å
25V98.9Very high89.2Confident0 Ų035.8 Ų35.80%024%0.242CC..EExtended strand (participates in β ladder)trans-127104-178.7-172.70000109.9I23 K33 F134 E135 G136 L153 V155I23-V25 HydrophobicContact CG2-CG2 4.29Å; V25-K33 HydrophobicContact CG1-CB 4.17Å; V25-K33 HydrophobicContact CG1-CG 4.44Å; V25-F134 PolarHBondContact N-O 2.92Å; V25-E135 HydrophobicContact CB-CB 4.01Å; V25-E135 VanDerWaalsContact O-CA 3.25Å; V25-E135 WeakPolarHBondContact O-CA 3.41Å; V25-G136 PolarHBondContact O-N 2.61Å; V25-L153 CarbonylContact C-O 3.6Å; V25-L153 WeakPolarHBondContact CA-O 3.41Å; V25-L153 HydrophobicContact CG1-CB 4.45Å; V25-L153 HydrophobicContact CG2-CB 4.29Å; V25-L153 HydrophobicContact CG2-CD1 4.17Å; V25-V155 HydrophobicContact CG1-CG2 4Å
26S98.8Very high91.8Very high0 Ų032.3 Ų32.30%022%0.219CC..EExtended strand (participates in β ladder)trans-106.3173179.9-165.20000112.7G136 L153 F154 V155S26-G136 WeakPolarHBondContact CA-O 2.98Å; S26-G136 PolarHBondContact OG-O 2.67Å; S26-L153 PolarHBondContact N-O 2.99Å; S26-F154 CarbonylContact O-C 3.58Å; S26-F154 WeakPolarHBondContact O-CA 3.45Å; S26-V155 PolarHBondContact O-N 3.45Å
27G98.4Very high94.1Very high0 Ų025.5 Ų25.50%018%0.183CC..  trans144157.5-178.800000112.9K33G27-K33 WeakPolarHBondContact O-CD 3.42Å; G27-K33 WeakPolarHBondContact O-CE 3.48Å; G27-K33 PolarHBondContact O-NZ 2.76Å
28G97.8Very high96.2Very high2 Ų223.4 Ų23.42%0.02116%0.157CC..SBendtrans-57157.2-179.300000113.4A30 S31 K33G28-A30 PolarHBondContact O-N 3.11Å; G28-S31 VanDerWaalsContact O-CB 3.24Å; G28-S31 WeakPolarHBondContact O-CB 3.35Å; G28-S31 PolarHBondContact O-N 2.73Å; G28-S31 VanDerWaalsContact O-N 3.08Å; G28-S31 PolarHBondContact O-OG 3.09Å; G28-K33 PolarHBondContact O-NZ 2.97Å
29T97.3Very high97.5Very high18 Ų1823.4 Ų23.411%0.1114%0.14CC..THydrogen-bonded Turntrans-49.8138.1171.3-168.20000110.9S31 R162 V189T29-S31 PolarHBondContact O-N 2.8Å; T29-S31 VanDerWaalsContact O-N 3.14Å; T29-R162 WeakPolarHBondContact O-CB 3.1Å; T29-R162 WeakPolarHBondContact O-CD 3.3Å; T29-R162 WeakPolarHBondContact O-CG 3.05Å; T29-V189 HydrophobicContact CG2-CG1 3.77Å
30A96.8Very high97.9Very high18 Ų1816.8 Ų16.815%0.14911%0.109CC..THydrogen-bonded Turntrans56.920.6-176.600000116.4G28 G32 R162 R165 R166G28-A30 PolarHBondContact O-N 3.11Å; A30-G32 VanDerWaalsContact C-N 3.27Å; A30-G32 PolarHBondContact O-N 3.05Å; A30-R162 WeakPolarHBondContact CB-O 3.34Å; A30-R165 HydrophobicContact CB-CB 3.87Å; A30-R165 WeakPolarHBondContact O-CD 3.38Å; A30-R166 HydrophobicContact CB-CB 4.05Å
31S97.5Very high98Very high0 Ų016.8 Ų16.80%011%0.108CC..SBendtrans-71-21.4170.868.20000113.7G28 T29 K33 V155 T157G28-S31 VanDerWaalsContact O-CB 3.24Å; G28-S31 WeakPolarHBondContact O-CB 3.35Å; G28-S31 PolarHBondContact O-N 2.73Å; G28-S31 VanDerWaalsContact O-N 3.08Å; G28-S31 PolarHBondContact O-OG 3.09Å; T29-S31 PolarHBondContact O-N 2.8Å; T29-S31 VanDerWaalsContact O-N 3.14Å; S31-K33 WeakPolarHBondContact OG-CG 3.49Å; S31-V155 WeakPolarHBondContact CB-O 3.28Å; S31-V155 WeakPolarHBondContact O-CG1 3.46Å; S31-V155 PolarHBondContact OG-O 3.37Å; S31-T157 PolarHBondContact O-OG1 3.41Å; S31-T157 VanDerWaalsContact O-OG1 3.12Å
32G97.4Very high98Very high13 Ų1320.5 Ų20.513%0.13413%0.126CC..SBendtrans107.310.4-178.400000114.9A30 S34 S35 V36A30-G32 VanDerWaalsContact C-N 3.27Å; A30-G32 PolarHBondContact O-N 3.05Å; G32-S34 PolarHBondContact O-N 3.48Å; G32-S35 PolarHBondContact O-N 2.73Å; G32-V36 WeakPolarHBondContact O-CG2 3.44Å; G32-V36 PolarHBondContact O-N 3.4Å
33K98.3Very high97.9Very high10 Ų1024.3 Ų24.34%0.04315%0.146CC..Hα-helixtrans-45.1-60.1174.6-55177.6-66.8-68.60112.9V25 G27 G28 S31 S35 V36 C37 E135 V155V25-K33 HydrophobicContact CG1-CB 4.17Å; V25-K33 HydrophobicContact CG1-CG 4.44Å; G27-K33 WeakPolarHBondContact O-CD 3.42Å; G27-K33 WeakPolarHBondContact O-CE 3.48Å; G27-K33 PolarHBondContact O-NZ 2.76Å; G28-K33 PolarHBondContact O-NZ 2.97Å; S31-K33 WeakPolarHBondContact OG-CG 3.49Å; K33-S35 VanDerWaalsContact C-N 3.28Å; K33-S35 PolarHBondContact O-N 3.37Å; K33-V36 WeakPolarHBondContact O-CB 3.49Å; K33-V36 PolarHBondContact O-N 3.21Å; K33-V36 VanDerWaalsContact O-N 3.09Å; K33-C37 PolarHBondContact O-N 2.93Å; K33-C37 PolarHBondContact O-SG 2.95Å; K33-C37 VanDerWaalsContact O-SG 3.39Å; K33-E135 HydrophobicContact CB-CB 4.46Å; K33-V155 HydrophobicContact CG-CB 4.18Å; K33-V155 HydrophobicContact CG-CG2 4.27Å
34S98Very high97.8Very high62 Ų6225.3 Ų25.343%0.43415%0.152SC..Hα-helixtrans-61.7-37.9-177-33.20000111.2G32 C37 A38 E135G32-S34 PolarHBondContact O-N 3.48Å; S34-C37 PolarHBondContact O-N 3.36Å; S34-A38 VanDerWaalsContact O-CB 3.29Å; S34-A38 WeakPolarHBondContact O-CB 3.4Å; S34-A38 PolarHBondContact O-N 3.34Å; S34-E135 PolarHBondContact OG-OE1 3.42Å; S34-E135 PolarHBondContact OG-OE2 3.39Å; S34-E135 VanDerWaalsContact OG-OE2 3.08Å
35S97.8Very high97.6Very high69 Ų6926.8 Ų26.848%0.48317%0.167SC..Hα-helixtrans-68.1-37175.5-50.50000113G32 K33 K39G32-S35 PolarHBondContact O-N 2.73Å; K33-S35 VanDerWaalsContact C-N 3.28Å; K33-S35 PolarHBondContact O-N 3.37Å; S35-K39 VanDerWaalsContact O-CB 3.28Å; S35-K39 WeakPolarHBondContact O-CB 3.48Å; S35-K39 PolarHBondContact O-N 3.02Å
36V98.4Very high97.4Very high0 Ų027.2 Ų27.20%017%0.169CC..Hα-helixtrans-64.2-50.2173.2167.10000109.9G32 K33 A38 K39 I40 V155 I208 I218G32-V36 WeakPolarHBondContact O-CG2 3.44Å; G32-V36 PolarHBondContact O-N 3.4Å; K33-V36 WeakPolarHBondContact O-CB 3.49Å; K33-V36 PolarHBondContact O-N 3.21Å; K33-V36 VanDerWaalsContact O-N 3.09Å; V36-A38 PolarHBondContact O-N 2.98Å; V36-K39 PolarHBondContact O-N 3.05Å; V36-I40 HydrophobicContact CG1-CD1 3.82Å; V36-I40 WeakPolarHBondContact O-CG1 3.49Å; V36-I40 PolarHBondContact O-N 3.27Å; V36-V155 HydrophobicContact CG2-CG2 4.3Å; V36-I208 HydrophobicContact CG1-CD1 4.45Å; V36-I218 HydrophobicContact CG1-CG1 4.33Å; V36-I218 HydrophobicContact CG2-CD1 4.46Å
37C98.5Very high97Very high0 Ų032 Ų320%019%0.194CC..Hα-helixtrans-58.6-47.7177.8-65.60000111.8K33 S34 K39 I40 V41 I58 L133K33-C37 PolarHBondContact O-N 2.93Å; K33-C37 PolarHBondContact O-SG 2.95Å; K33-C37 VanDerWaalsContact O-SG 3.39Å; S34-C37 PolarHBondContact O-N 3.36Å; C37-K39 VanDerWaalsContact C-N 3.3Å; C37-K39 PolarHBondContact O-N 2.91Å; C37-I40 PolarHBondContact O-N 2.66Å; C37-V41 PolarHBondContact O-N 3.41Å; C37-I58 HydrophobicContact CB-CD1 3.77Å; C37-I58 HydrophobicContact CB-CG1 4.11Å; C37-I58 HydrophobicContact CB-CG2 4.22Å; C37-L133 HydrophobicContact CB-CD1 4.09Å
38A98Very high96.7Very high48 Ų4840.8 Ų40.840%0.39724%0.235SC..Hα-helixtrans-59.1-41.517800000112.1S34 V36 V41 Q42S34-A38 VanDerWaalsContact O-CB 3.29Å; S34-A38 WeakPolarHBondContact O-CB 3.4Å; S34-A38 PolarHBondContact O-N 3.34Å; V36-A38 PolarHBondContact O-N 2.98Å; A38-V41 PolarHBondContact O-N 3.36Å; A38-Q42 WeakPolarHBondContact O-CB 3.19Å; A38-Q42 PolarHBondContact O-N 3.33Å
39K97.8Very high96.4Very high60 Ų6043.1 Ų43.126%0.26125%0.249SC..Hα-helixtrans-69.8-36.3179.3-165157.2-178.91760112.8S35 V36 C37 Q42 L43 A212 L215 I218S35-K39 VanDerWaalsContact O-CB 3.28Å; S35-K39 WeakPolarHBondContact O-CB 3.48Å; S35-K39 PolarHBondContact O-N 3.02Å; V36-K39 PolarHBondContact O-N 3.05Å; C37-K39 VanDerWaalsContact C-N 3.3Å; C37-K39 PolarHBondContact O-N 2.91Å; K39-Q42 PolarHBondContact O-N 3.28Å; K39-L43 HydrophobicContact CG-CD1 4.23Å; K39-L43 WeakPolarHBondContact O-CB 3.2Å; K39-L43 VanDerWaalsContact O-CG 3.27Å; K39-L43 WeakPolarHBondContact O-CG 3.4Å; K39-L43 PolarHBondContact O-N 3.14Å; K39-A212 PolarHBondContact NZ-O 3.22Å; K39-L215 HydrophobicContact CD-CD2 4.49Å; K39-I218 HydrophobicContact CB-CD1 4.38Å; K39-I218 HydrophobicContact CD-CD1 3.88Å; K39-I218 HydrophobicContact CG-CD1 4.26Å; K39-I218 HydrophobicContact CG-CG2 4.36Å
40I97.9Very high96.1Very high0 Ų046.8 Ų46.80%027%0.268CS..Hα-helixtrans-60-52.7172.2-70.5164.5000110V36 C37 Q42 L43 L44 L133 I218 I221 V222 I225V36-I40 HydrophobicContact CG1-CD1 3.82Å; V36-I40 WeakPolarHBondContact O-CG1 3.49Å; V36-I40 PolarHBondContact O-N 3.27Å; C37-I40 PolarHBondContact O-N 2.66Å; I40-Q42 VanDerWaalsContact C-N 3.31Å; I40-Q42 PolarHBondContact O-N 3.41Å; I40-L43 PolarHBondContact O-N 2.85Å; I40-L44 HydrophobicContact CG2-CD1 3.74Å; I40-L44 VanDerWaalsContact O-CG 3.27Å; I40-L44 WeakPolarHBondContact O-CG 3.46Å; I40-L44 PolarHBondContact O-N 3Å; I40-L133 HydrophobicContact CB-CD1 4.37Å; I40-L133 HydrophobicContact CG2-CD1 4.11Å; I40-I218 HydrophobicContact CG1-CG2 4Å; I40-I221 HydrophobicContact CD1-CB 4.24Å; I40-I221 HydrophobicContact CD1-CG2 3.8Å; I40-V222 HydrophobicContact CB-CG2 4.27Å; I40-V222 HydrophobicContact CG1-CG2 4.19Å; I40-V222 HydrophobicContact CG2-CG2 4.11Å; I40-I225 HydrophobicContact CG2-CD1 3.58Å
41V97.3Very high95.8Very high8 Ų850.4 Ų50.45%0.04828%0.279CS..Hα-helixtrans-60.4-40.6179.6170.30000111.6C37 A38 L44 G45 Q46 V56 I58 L133C37-V41 PolarHBondContact O-N 3.41Å; A38-V41 PolarHBondContact O-N 3.36Å; V41-L44 PolarHBondContact O-N 3.49Å; V41-G45 PolarHBondContact O-N 3.18Å; V41-Q46 HydrophobicContact CG1-CB 3.65Å; V41-Q46 PolarHBondContact O-N 3.33Å; V41-Q46 VanDerWaalsContact O-N 3.13Å; V41-V56 HydrophobicContact CG2-CG1 4.14Å; V41-I58 HydrophobicContact CB-CD1 4.24Å; V41-I58 HydrophobicContact CG2-CD1 3.63Å; V41-I58 HydrophobicContact CG2-CG1 3.71Å; V41-L133 HydrophobicContact CG2-CD1 4.1Å
42Q96.8Very high95.5Very high122 Ų12254.8 Ų54.857%0.5730%0.299SS*.Hα-helixtrans-61.1-49.6174.8-177.7-174.5-1.100112.1A38 K39 I40 L44 G45A38-Q42 WeakPolarHBondContact O-CB 3.19Å; A38-Q42 PolarHBondContact O-N 3.33Å; K39-Q42 PolarHBondContact O-N 3.28Å; I40-Q42 VanDerWaalsContact C-N 3.31Å; I40-Q42 PolarHBondContact O-N 3.41Å; Q42-L44 PolarHBondContact O-N 3.46Å; Q42-G45 PolarHBondContact O-N 3.34Å
43L97Very high95.2Very high80 Ų8059.5 Ų59.542%0.41932%0.317SS..Hα-helixtrans-67.6-20.4-179-71.1171.6000113.1K39 I40 G45 I218 V222K39-L43 HydrophobicContact CG-CD1 4.23Å; K39-L43 WeakPolarHBondContact O-CB 3.2Å; K39-L43 VanDerWaalsContact O-CG 3.27Å; K39-L43 WeakPolarHBondContact O-CG 3.4Å; K39-L43 PolarHBondContact O-N 3.14Å; I40-L43 PolarHBondContact O-N 2.85Å; L43-G45 VanDerWaalsContact C-N 3.3Å; L43-I218 HydrophobicContact CD1-CG2 3.68Å; L43-V222 HydrophobicContact CB-CG1 4.25Å; L43-V222 HydrophobicContact CB-CG2 3.93Å; L43-V222 HydrophobicContact CD1-CG2 4.11Å
44L96.5Very high95.1Very high22 Ų2261.5 Ų61.512%0.11533%0.326CS..THydrogen-bonded Turntrans-84.51171.9-68.3167.3000113.5I40 V41 Q42 Q46 V56 V222 I225 Q226I40-L44 HydrophobicContact CG2-CD1 3.74Å; I40-L44 VanDerWaalsContact O-CG 3.27Å; I40-L44 WeakPolarHBondContact O-CG 3.46Å; I40-L44 PolarHBondContact O-N 3Å; V41-L44 PolarHBondContact O-N 3.49Å; Q42-L44 PolarHBondContact O-N 3.46Å; L44-Q46 HydrophobicContact CB-CG 3.9Å; L44-Q46 PolarHBondContact O-N 2.99Å; L44-V56 HydrophobicContact CD1-CB 4.5Å; L44-V56 HydrophobicContact CD1-CG1 4.39Å; L44-V56 HydrophobicContact CD1-CG2 4.02Å; L44-V222 HydrophobicContact CD2-CG1 3.86Å; L44-V222 HydrophobicContact CG-CG1 4.18Å; L44-I225 HydrophobicContact CD1-CB 4.1Å; L44-I225 HydrophobicContact CD1-CD1 4.14Å; L44-I225 HydrophobicContact CD1-CG2 3.51Å; L44-I225 HydrophobicContact CD2-CB 4.39Å; L44-I225 HydrophobicContact CD2-CG2 4.05Å; L44-I225 HydrophobicContact CG-CG2 4.46Å; L44-Q226 HydrophobicContact CD2-CG 3.42Å; L44-Q226 VanDerWaalsContact CD2-CG 3.42Å
45G94.9Very high95Very high31 Ų3162.2 Ų62.232%0.3232%0.322SS..THydrogen-bonded Turntrans72.68.4-179.600000114.7V41 Q42 L43 N47 E48V41-G45 PolarHBondContact O-N 3.18Å; Q42-G45 PolarHBondContact O-N 3.34Å; L43-G45 VanDerWaalsContact C-N 3.3Å; G45-N47 PolarHBondContact O-N 2.95Å; G45-E48 PolarHBondContact O-N 3.13Å
46Q93.5Very high94.9Very high9 Ų959 Ų594%0.04230%0.3CS..THydrogen-bonded Turntrans-75.6-5.8-171.7-64.9-68.8-5500113.9V41 L44 E48 K54 V56V41-Q46 HydrophobicContact CG1-CB 3.65Å; V41-Q46 PolarHBondContact O-N 3.33Å; V41-Q46 VanDerWaalsContact O-N 3.13Å; L44-Q46 HydrophobicContact CB-CG 3.9Å; L44-Q46 PolarHBondContact O-N 2.99Å; Q46-E48 VanDerWaalsContact C-N 3.33Å; Q46-K54 WeakPolarHBondContact O-CE 3.27Å; Q46-K54 PolarHBondContact O-NZ 2.76Å; Q46-V56 HydrophobicContact CG-CB 4.04Å; Q46-V56 HydrophobicContact CG-CG2 4.16Å
47N92.1Very high94.9Very high100 Ų10059.7 Ų59.754%0.53530%0.304SS..THydrogen-bonded Turntrans-76.7-22.8172.7-71.6-11.6000112.7G45G45-N47 PolarHBondContact O-N 2.95Å
48E91.2Very high94.9Very high185 Ų18562.6 Ų62.686%0.86432%0.319SS*.THydrogen-bonded Turntrans-98.1-10.8-178.7-62.3173.3-175.700112.1G45 Q46G45-E48 PolarHBondContact O-N 3.13Å; Q46-E48 VanDerWaalsContact C-N 3.33Å
49V91.3Very high94.9Very high51 Ų5160.4 Ų60.431%0.30930%0.301SS..SBendtrans-77.5138.9177.8-179.40000109.9Q53 K54V49-Q53 HydrophobicContact CG1-CB 3.97Å; V49-Q53 WeakPolarHBondContact CG1-O 3.33Å; V49-K54 HydrophobicContact CB-CG 4.47Å; V49-K54 HydrophobicContact CG1-CG 4.41Å
50D92Very high94.9Very high94 Ų9459 Ų5950%0.50330%0.298SS..  trans-51.2141173.5-178.7-92.7000111.3H52 Q53 K54D50-H52 PolarHBondContact O-N 3.43Å; D50-H52 VanDerWaalsContact O-N 3.14Å; D50-H52 VanDerWaalsContact OD1-CB 3.3Å; D50-H52 WeakPolarHBondContact OD1-CB 3.42Å; D50-H52 IonicContact OD1-CD2 2.61Å; D50-H52 PolarHBondContact OD1-CD2 2.82Å; D50-H52 VanDerWaalsContact OD1-CD2 3.3Å; D50-H52 IonicContact OD1-CG 3.85Å; D50-H52 PolarHBondContact OD1-N 3Å; D50-Q53 HydrophobicContact CB-CB 4.37Å; D50-Q53 HydrophobicContact CB-CG 4.37Å; D50-Q53 CarbonylContact O-C 3.52Å; D50-Q53 PolarHBondContact O-N 3.21Å; D50-K54 PolarHBondContact O-N 2.85Å
51Y89.8Confident95Very high95 Ų9559.1 Ų59.137%0.37330%0.299SS..G310 helixtrans-56.3-34.8-174.4-176.2-106.2000113.3Q53 V124 T125 Y127Y51-Q53 VanDerWaalsContact C-N 3.28Å; Y51-Q53 PolarHBondContact O-N 2.94Å; Y51-V124 WeakPolarHBondContact OH-CG1 3.41Å; Y51-T125 WeakPolarHBondContact CE1-O 3.37Å; Y51-T125 PolarHBondContact OH-N 2.9Å; Y51-T125 PolarHBondContact OH-O 3.12Å; Y51-Y127 HydrophobicContact CD1-CD2 4.18Å; Y51-Y127 AromaticContact CD1-CE2 3.93Å; Y51-Y127 HydrophobicContact CD1-CE2 3.93Å; Y51-Y127 HydrophobicContact CE1-CD2 4.06Å; Y51-Y127 AromaticContact CE1-CE2 3.8Å; Y51-Y127 HydrophobicContact CE1-CE2 3.8Å
52H91.2Very high95Very high92 Ų9260.4 Ų60.443%0.42631%0.305SS..G310 helixtrans-79.6-9.2179.8-56.9-72.2000113.7D50 Y127D50-H52 PolarHBondContact O-N 3.43Å; D50-H52 VanDerWaalsContact O-N 3.14Å; D50-H52 VanDerWaalsContact OD1-CB 3.3Å; D50-H52 WeakPolarHBondContact OD1-CB 3.42Å; D50-H52 IonicContact OD1-CD2 2.61Å; D50-H52 PolarHBondContact OD1-CD2 2.82Å; D50-H52 VanDerWaalsContact OD1-CD2 3.3Å; D50-H52 IonicContact OD1-CG 3.85Å; D50-H52 PolarHBondContact OD1-N 3Å; H52-Y127 AromaticContact CE1-CE2 3.51Å; H52-Y127 AromaticContact CE1-CZ 3.48Å; H52-Y127 VanDerWaalsContact CE1-CZ 3.48Å; H52-Y127 PolarHBondContact CE1-OH 3.48Å; H52-Y127 AromaticContact ND1-CD2 3.65Å; H52-Y127 AromaticContact ND1-CE1 3.73Å; H52-Y127 AromaticContact ND1-CE2 2.99Å; H52-Y127 WeakPolarHBondContact ND1-CE2 3.32Å; H52-Y127 AromaticContact ND1-CZ 3.05Å; H52-Y127 PolarHBondContact ND1-OH 2.87Å
53Q91.8Very high95Very high111 Ų11155.9 Ų55.952%0.51929%0.287SS..G310 helixtrans-119.37.6-174.2-60.7-63.1-74.700112.6V49 D50 Y51 Q55V49-Q53 HydrophobicContact CG1-CB 3.97Å; V49-Q53 WeakPolarHBondContact CG1-O 3.33Å; D50-Q53 HydrophobicContact CB-CB 4.37Å; D50-Q53 HydrophobicContact CB-CG 4.37Å; D50-Q53 CarbonylContact O-C 3.52Å; D50-Q53 PolarHBondContact O-N 3.21Å; Y51-Q53 VanDerWaalsContact C-N 3.28Å; Y51-Q53 PolarHBondContact O-N 2.94Å; Q53-Q55 PolarHBondContact O-N 3.14Å
54K94.7Very high95.1Very high52 Ų5252.1 Ų52.123%0.22627%0.267CS..  trans-62.2122.9176.4-70.1-166177.4-164.60110.4Q46 V49 D50 V57Q46-K54 WeakPolarHBondContact O-CE 3.27Å; Q46-K54 PolarHBondContact O-NZ 2.76Å; V49-K54 HydrophobicContact CB-CG 4.47Å; V49-K54 HydrophobicContact CG1-CG 4.41Å; D50-K54 PolarHBondContact O-N 2.85Å; K54-V57 HydrophobicContact CB-CG1 4.08Å
55Q95.6Very high95.1Very high77 Ų7751.8 Ų51.836%0.3627%0.265SS..SBendtrans-86.2-20.1175.5-61.5-173.5-89.800111.9Q53 D130 V131 L229Q53-Q55 PolarHBondContact O-N 3.14Å; Q55-D130 HydrophobicContact CB-CB 4.49Å; Q55-D130 WeakPolarHBondContact CB-OD2 3.45Å; Q55-D130 WeakPolarHBondContact CG-OD2 3.25Å; Q55-D130 PolarHBondContact NE2-OD2 2.77Å; Q55-D130 PolarHBondContact O-N 3.03Å; Q55-V131 PolarHBondContact O-N 2.87Å; Q55-L229 HydrophobicContact CB-CD2 3.88Å
56V97.6Very high95.2Very high1 Ų154.9 Ų54.91%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-128.2124176.6-167.60000110.5V41 L44 Q46 V131 L133 I225 L229V41-V56 HydrophobicContact CG2-CG1 4.14Å; L44-V56 HydrophobicContact CD1-CB 4.5Å; L44-V56 HydrophobicContact CD1-CG1 4.39Å; L44-V56 HydrophobicContact CD1-CG2 4.02Å; Q46-V56 HydrophobicContact CG-CB 4.04Å; Q46-V56 HydrophobicContact CG-CG2 4.16Å; V56-V131 VanDerWaalsContact CA-O 3.32Å; V56-V131 WeakPolarHBondContact CA-O 3.4Å; V56-V131 HydrophobicContact CG1-CB 4.13Å; V56-V131 HydrophobicContact CG1-CG1 4.17Å; V56-V131 HydrophobicContact CG2-CB 4.1Å; V56-L133 HydrophobicContact CG1-CD1 4.47Å; V56-L133 HydrophobicContact CG1-CG 4.31Å; V56-I225 HydrophobicContact CG2-CG2 3.97Å; V56-L229 HydrophobicContact CG2-CD1 4.01Å; V56-L229 HydrophobicContact CG2-CD2 4.43Å
57V97.5Very high95.4Very high15 Ų1559.3 Ų59.39%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-124.4153.8-178.3-630000111.4K54 L59 I126 A129 V131 V132 L133K54-V57 HydrophobicContact CB-CG1 4.08Å; V57-L59 HydrophobicContact CG2-CD1 4.29Å; V57-I126 HydrophobicContact CB-CG2 4.36Å; V57-I126 HydrophobicContact CG1-CG2 4.37Å; V57-I126 HydrophobicContact CG2-CG2 3.94Å; V57-A129 HydrophobicContact CB-CB 4.44Å; V57-A129 HydrophobicContact CG1-CB 3.89Å; V57-A129 HydrophobicContact CG2-CB 3.79Å; V57-V131 PolarHBondContact N-O 2.79Å; V57-V131 VanDerWaalsContact N-O 3.13Å; V57-V132 HydrophobicContact CG2-CB 4.39Å; V57-V132 HydrophobicContact CG2-CG1 4.28Å; V57-V132 HydrophobicContact CG2-CG2 3.87Å; V57-L133 PolarHBondContact O-N 2.82Å
58I98.2Very high95.5Very high61 Ų6155.5 Ų55.531%0.31327%0.274SS..EExtended strand (participates in β ladder)trans-112.6131.7175.2-57.6166000108.5C37 V41 L133 E135C37-I58 HydrophobicContact CB-CD1 3.77Å; C37-I58 HydrophobicContact CB-CG1 4.11Å; C37-I58 HydrophobicContact CB-CG2 4.22Å; V41-I58 HydrophobicContact CB-CD1 4.24Å; V41-I58 HydrophobicContact CG2-CD1 3.63Å; V41-I58 HydrophobicContact CG2-CG1 3.71Å; I58-L133 CarbonylContact C-O 3.58Å; I58-L133 WeakPolarHBondContact CA-O 3.32Å; I58-L133 HydrophobicContact CG1-CB 4.2Å; I58-L133 HydrophobicContact CG1-CD1 4.15Å; I58-E135 HydrophobicContact CG2-CG 4.24Å
59L98.3Very high95.7Very high3 Ų350.4 Ų50.42%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-115133.1166-70.1103.2000109.4V57 F64 T97 I101 I109 V132 L133 F134 E135V57-L59 HydrophobicContact CG2-CD1 4.29Å; L59-F64 HydrophobicContact CD2-CZ 4.32Å; L59-T97 HydrophobicContact CD2-CG2 4.41Å; L59-I101 HydrophobicContact CD1-CD1 3.88Å; L59-I101 HydrophobicContact CD2-CD1 3.82Å; L59-I109 HydrophobicContact CD2-CD1 3.44Å; L59-I109 VanDerWaalsContact CD2-CD1 3.44Å; L59-I109 HydrophobicContact CD2-CG1 3.88Å; L59-V132 HydrophobicContact CD1-CG1 3.27Å; L59-L133 PolarHBondContact N-O 3.23Å; L59-F134 HydrophobicContact CB-CD2 3.84Å; L59-F134 CarbonylContact O-C 3.55Å; L59-F134 WeakPolarHBondContact O-CA 3.4Å; L59-E135 PolarHBondContact O-N 3.05Å
60S98.3Very high95.8Very high29 Ų2953.1 Ų53.120%0.20328%0.277CS..EExtended strand (participates in β ladder)trans-100.4132.5175-172.80000110.2D62 S63 F64 E135S60-D62 PolarHBondContact O-N 3.21Å; S60-D62 PolarHBondContact OG-N 3.37Å; S60-S63 WeakPolarHBondContact O-CB 3.36Å; S60-S63 PolarHBondContact O-N 3.39Å; S60-S63 VanDerWaalsContact O-N 3.11Å; S60-F64 VanDerWaalsContact O-CD2 3.31Å; S60-F64 WeakPolarHBondContact O-CD2 3.35Å; S60-F64 WeakPolarHBondContact O-CE2 3.35Å; S60-E135 CarbonylContact C-O 3.59Å; S60-E135 WeakPolarHBondContact CB-OE1 3.37Å; S60-E135 PolarHBondContact OG-OE1 3.2Å
61Q98.6Very high96Very high3 Ų355.9 Ų55.91%0.01429%0.287CS..G310 helixtrans-58.5-29.6171.5-172.7177.536.100111.6S63 F64 F89 I94 F134 E135 L138Q61-S63 PolarHBondContact O-N 2.8Å; Q61-F64 WeakPolarHBondContact O-CB 3.32Å; Q61-F64 PolarHBondContact O-N 2.84Å; Q61-F89 HydrophobicContact CG-CD1 3.66Å; Q61-F89 HydrophobicContact CG-CE1 3.71Å; Q61-F89 HydrophobicContact CG-CG 4.39Å; Q61-F89 HydrophobicContact CG-CZ 4.49Å; Q61-I94 HydrophobicContact CG-CD1 3.99Å; Q61-F134 HydrophobicContact CB-CE1 4.33Å; Q61-F134 HydrophobicContact CB-CE2 4.45Å; Q61-F134 HydrophobicContact CB-CZ 3.82Å; Q61-F134 HydrophobicContact CG-CZ 4.1Å; Q61-E135 WeakPolarHBondContact CB-O 3.41Å; Q61-E135 PolarHBondContact N-O 2.83Å; Q61-L138 PolarHBondContact NE2-O 3.35Å
62D97.4Very high96.3Very high36 Ų3654.7 Ų54.719%0.19328%0.284CS..G310 helixtrans-64-22.8178.5-75-10.4000112.5S60 F64 Y65 Y112 F114S60-D62 PolarHBondContact O-N 3.21Å; S60-D62 PolarHBondContact OG-N 3.37Å; D62-F64 PolarHBondContact O-N 3.23Å; D62-Y65 HydrophobicContact CB-CD2 4.36Å; D62-Y65 HydrophobicContact CB-CE2 3.86Å; D62-Y65 WeakPolarHBondContact O-CD2 3.39Å; D62-Y65 WeakPolarHBondContact OD1-CE2 3.42Å; D62-Y65 PolarHBondContact OD1-OH 2.92Å; D62-Y112 WeakPolarHBondContact O-CB 3.24Å; D62-F114 HydrophobicContact CB-CE1 4.08Å; D62-F114 HydrophobicContact CB-CZ 3.68Å; D62-F114 WeakPolarHBondContact OD2-CZ 3.31Å
63S97.7Very high96.4Very high27 Ų2753.9 Ų53.919%0.18928%0.28CS..G310 helixtrans-61.2-26.8170.9-77.40000112.4S60 Q61 P110S60-S63 WeakPolarHBondContact O-CB 3.36Å; S60-S63 PolarHBondContact O-N 3.39Å; S60-S63 VanDerWaalsContact O-N 3.11Å; Q61-S63 PolarHBondContact O-N 2.8Å; S63-P110 WeakPolarHBondContact CB-O 3.27Å; S63-P110 WeakPolarHBondContact O-CG 3.46Å; S63-P110 PolarHBondContact OG-O 3.27Å
64F98.3Very high96.5Very high0 Ų051 Ų510%028%0.275CS..G310 helixtrans-100.621-171.1-57.9-96.1000113.4L59 S60 Q61 D62 R66 D90 L93 I94 T97 I109 P110 F134L59-F64 HydrophobicContact CD2-CZ 4.32Å; S60-F64 VanDerWaalsContact O-CD2 3.31Å; S60-F64 WeakPolarHBondContact O-CD2 3.35Å; S60-F64 WeakPolarHBondContact O-CE2 3.35Å; Q61-F64 WeakPolarHBondContact O-CB 3.32Å; Q61-F64 PolarHBondContact O-N 2.84Å; D62-F64 PolarHBondContact O-N 3.23Å; F64-R66 PolarHBondContact O-N 3.06Å; F64-D90 WeakPolarHBondContact O-CB 3.16Å; F64-D90 PolarHBondContact O-N 3.02Å; F64-L93 HydrophobicContact CD1-CB 4.39Å; F64-L93 HydrophobicContact CD1-CD2 3.95Å; F64-L93 HydrophobicContact CD1-CG 3.85Å; F64-L93 HydrophobicContact CE1-CD2 4.46Å; F64-L93 HydrophobicContact CE1-CG 4.11Å; F64-I94 HydrophobicContact CB-CD1 3.81Å; F64-I94 HydrophobicContact CB-CG1 3.44Å; F64-I94 VanDerWaalsContact CB-CG1 3.44Å; F64-I94 HydrophobicContact CD1-CG1 3.74Å; F64-I94 HydrophobicContact CD2-CG1 4.01Å; F64-I94 HydrophobicContact CE1-CG1 4.46Å; F64-I94 HydrophobicContact CG-CD1 4.3Å; F64-I94 HydrophobicContact CG-CG1 3.47Å; F64-I94 VanDerWaalsContact CG-CG1 3.47Å; F64-T97 HydrophobicContact CE1-CG2 4.22Å; F64-T97 HydrophobicContact CZ-CG2 4.09Å; F64-I109 HydrophobicContact CE2-CG2 4.31Å; F64-I109 HydrophobicContact CZ-CD1 4.05Å; F64-I109 HydrophobicContact CZ-CG2 4.15Å; F64-P110 HydrophobicContact CD1-CG 4.23Å; F64-P110 HydrophobicContact CE1-CG 4.47Å; F64-F134 HydrophobicContact CE2-CE2 4.2Å
65Y98Very high96.4Very high16 Ų1653.9 Ų53.96%0.06329%0.287CS..BIsolated β-bridgetrans-55.7142.5165.4-80.3-62.9000110.6D62 F83 A88 F89 Y112 F114 R119D62-Y65 HydrophobicContact CB-CD2 4.36Å; D62-Y65 HydrophobicContact CB-CE2 3.86Å; D62-Y65 WeakPolarHBondContact O-CD2 3.39Å; D62-Y65 WeakPolarHBondContact OD1-CE2 3.42Å; D62-Y65 PolarHBondContact OD1-OH 2.92Å; Y65-F83 AromaticContact CD1-CD1 4Å; Y65-F83 HydrophobicContact CD1-CD1 4Å; Y65-F83 HydrophobicContact CE1-CB 3.98Å; Y65-F83 AromaticContact CE1-CD1 3.92Å; Y65-F83 HydrophobicContact CE1-CD1 3.92Å; Y65-F83 HydrophobicContact CE1-CG 4.45Å; Y65-F83 VanDerWaalsContact CE1-O 3.31Å; Y65-F83 WeakPolarHBondContact CE1-O 3.35Å; Y65-A88 HydrophobicContact CD1-CB 4.15Å; Y65-A88 HydrophobicContact CE1-CB 4.15Å; Y65-F89 HydrophobicContact CD1-CD1 4.09Å; Y65-F89 AromaticContact CD1-CE1 3.88Å; Y65-F89 HydrophobicContact CD1-CE1 3.88Å; Y65-F89 HydrophobicContact CD1-CZ 4.28Å; Y65-F89 HydrophobicContact CE1-CD1 4.04Å; Y65-F89 AromaticContact CE1-CE1 3.39Å; Y65-F89 HydrophobicContact CE1-CE1 3.39Å; Y65-F89 HydrophobicContact CE1-CE2 4.08Å; Y65-F89 AromaticContact CE1-CZ 3.42Å; Y65-F89 HydrophobicContact CE1-CZ 3.42Å; Y65-F89 VanDerWaalsContact CE1-CZ 3.42Å; Y65-F89 HydrophobicContact CE2-CE1 4.19Å; Y65-F89 HydrophobicContact CG-CE1 4.45Å; Y65-F89 AromaticContact CZ-CE1 3.55Å; Y65-F89 AromaticContact CZ-CZ 3.63Å; Y65-F89 WeakPolarHBondContact OH-CZ 3.4Å; Y65-Y112 VanDerWaalsContact CB-CE2 3.41Å; Y65-Y112 AromaticContact CD2-CD1 3.59Å; Y65-Y112 HydrophobicContact CD2-CD1 3.59Å; Y65-Y112 HydrophobicContact CD2-CD2 4.37Å; Y65-Y112 AromaticContact CD2-CE1 3.47Å; Y65-Y112 HydrophobicContact CD2-CE1 3.47Å; Y65-Y112 VanDerWaalsContact CD2-CE1 3.47Å; Y65-Y112 HydrophobicContact CD2-CE2 4.29Å; Y65-Y112 HydrophobicContact CD2-CG 4.03Å; Y65-Y112 AromaticContact CD2-CZ 3.84Å; Y65-Y112 HydrophobicContact CE2-CD1 4.39Å; Y65-Y112 HydrophobicContact CE2-CE1 4.22Å; Y65-Y112 HydrophobicContact CG-CD1 4.4Å; Y65-Y112 HydrophobicContact CG-CD2 4.49Å; Y65-Y112 HydrophobicContact CG-CE1 4.06Å; Y65-Y112 HydrophobicContact CG-CE2 4.17Å; Y65-Y112 AromaticContact CG-CZ 3.92Å; Y65-F114 HydrophobicContact CE2-CE1 4.15Å; Y65-R119 PolarHBondContact O-NH2 2.88Å
66R97.2Very high96.2Very high95 Ų9550.2 Ų50.236%0.35827%0.271SS..PPolyproline II helixtrans-66.6151.4174.8-70.2-172.3177-86.62.7110.8F64 L68 D87 A88 F89 D90F64-R66 PolarHBondContact O-N 3.06Å; R66-L68 PolarHBondContact O-N 2.85Å; R66-D87 WeakPolarHBondContact CD-O 3.42Å; R66-A88 PolarHBondContact N-O 3.41Å; R66-F89 PolarHBondContact NE-O 3.17Å; R66-D90 HydrophobicContact CG-CB 4.03Å; R66-D90 IonicContact NH1-OD1 2.62Å
67V96Very high95.8Very high102 Ų10255.2 Ų55.262%0.61830%0.297SS*.PPolyproline II helixtrans-68.7120.8166.7-178.80000108R119V67-R119 HydrophobicContact CG2-CB 4.36Å
68L95.5Very high95.4Very high21 Ų2161.5 Ų61.511%0.1132%0.323CS..PPolyproline II helixtrans-76.2143.5-178.9-59-174.6000111.3R66 Q72 K73 A76 F81 F83 H117R66-L68 PolarHBondContact O-N 2.85Å; L68-Q72 HydrophobicContact CB-CB 3.92Å; L68-Q72 HydrophobicContact CD2-CB 4.23Å; L68-Q72 HydrophobicContact CG-CB 4.46Å; L68-K73 HydrophobicContact CB-CB 4.36Å; L68-A76 HydrophobicContact CD1-CB 3.91Å; L68-F81 HydrophobicContact CD2-CD1 4.37Å; L68-F81 HydrophobicContact CD2-CE1 3.7Å; L68-F81 HydrophobicContact CD2-CE2 4.09Å; L68-F81 HydrophobicContact CD2-CZ 3.53Å; L68-F83 HydrophobicContact CD1-CE1 4.03Å; L68-F83 HydrophobicContact CD1-CZ 3.89Å; L68-H117 HydrophobicContact CD1-CB 4.16Å
69T95Very high94.9Very high77 Ų7758.8 Ų58.847%0.47231%0.31SS..PPolyproline II helixtrans-66.9162.7165.370.70000110.7E71 Q72 K73T69-E71 PolarHBondContact O-N 2.92Å; T69-Q72 PolarHBondContact O-N 3.25Å; T69-Q72 VanDerWaalsContact O-N 3.1Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.36Å; T69-Q72 PolarHBondContact OG1-N 3.46Å; T69-Q72 PolarHBondContact OG1-OE1 3.48Å; T69-K73 WeakPolarHBondContact O-CB 3.38Å; T69-K73 PolarHBondContact O-N 3.19Å
70S94.2Very high94.6Very high109 Ų10964.1 Ų64.176%0.76234%0.335SS*.Hα-helixtrans-53.9-38.9177-55.20000112.8A74S70-A74 PolarHBondContact O-N 3.34Å
71E95.3Very high94.4Very high152 Ų15264.1 Ų64.171%0.7133%0.331SS*.Hα-helixtrans-68.5-43.8177.1-63.7-178.1-178.700112.5T69 K73 A74 K75T69-E71 PolarHBondContact O-N 2.92Å; E71-K73 VanDerWaalsContact C-N 3.33Å; E71-A74 PolarHBondContact O-N 3.09Å; E71-K75 PolarHBondContact O-N 2.88Å
72Q95.9Very high94.3Very high69 Ų6966 Ų6632%0.32234%0.341SS..Hα-helixtrans-65-39.5176.9-71.7171.8-27.900111.3L68 T69 K75 A76 F81L68-Q72 HydrophobicContact CB-CB 3.92Å; L68-Q72 HydrophobicContact CD2-CB 4.23Å; L68-Q72 HydrophobicContact CG-CB 4.46Å; T69-Q72 PolarHBondContact O-N 3.25Å; T69-Q72 VanDerWaalsContact O-N 3.1Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.36Å; T69-Q72 PolarHBondContact OG1-N 3.46Å; T69-Q72 PolarHBondContact OG1-OE1 3.48Å; Q72-K75 WeakPolarHBondContact O-CB 3.44Å; Q72-K75 PolarHBondContact O-N 2.89Å; Q72-A76 WeakPolarHBondContact O-CB 3.38Å; Q72-A76 PolarHBondContact O-N 3.41Å; Q72-F81 HydrophobicContact CB-CD2 4.04Å; Q72-F81 HydrophobicContact CB-CE2 3.92Å; Q72-F81 HydrophobicContact CG-CD2 4.17Å; Q72-F81 HydrophobicContact CG-CE2 3.76Å
73K93.8Very high94.3Very high75 Ų7564.9 Ų64.933%0.32634%0.335SS..Hα-helixtrans-62.5-42.1174.9-166.6169.1-171.9160.20111.3L68 T69 E71 K75 A76 L77 S116 S118L68-K73 HydrophobicContact CB-CB 4.36Å; T69-K73 WeakPolarHBondContact O-CB 3.38Å; T69-K73 PolarHBondContact O-N 3.19Å; E71-K73 VanDerWaalsContact C-N 3.33Å; K73-K75 VanDerWaalsContact C-N 3.32Å; K73-K75 PolarHBondContact O-N 3.24Å; K73-A76 PolarHBondContact O-N 3.44Å; K73-L77 WeakPolarHBondContact O-CG 3.34Å; K73-L77 PolarHBondContact O-N 3.47Å; K73-S116 WeakPolarHBondContact CE-O 3.39Å; K73-S116 PolarHBondContact NZ-O 3.31Å; K73-S118 PolarHBondContact NZ-OG 3.14Å
74A93.3Very high94.3Very high51 Ų5164.1 Ų64.142%0.42133%0.329SS..Hα-helixtrans-62.2-37.8174.900000112.6S70 E71S70-A74 PolarHBondContact O-N 3.34Å; E71-A74 PolarHBondContact O-N 3.09Å
75K93.3Very high94.3Very high112 Ų11266.7 Ų66.749%0.48734%0.341SS..Hα-helixtrans-67.2-43.9171.9-72.8178.7180177.50111.9E71 Q72 K73 L77 K78 G79 Q80 F81E71-K75 PolarHBondContact O-N 2.88Å; Q72-K75 WeakPolarHBondContact O-CB 3.44Å; Q72-K75 PolarHBondContact O-N 2.89Å; K73-K75 VanDerWaalsContact C-N 3.32Å; K73-K75 PolarHBondContact O-N 3.24Å; K75-L77 PolarHBondContact O-N 3.07Å; K75-K78 CarbonylContact O-C 3.59Å; K75-K78 PolarHBondContact O-N 3.2Å; K75-K78 VanDerWaalsContact O-N 3.08Å; K75-G79 PolarHBondContact O-N 2.64Å; K75-Q80 HydrophobicContact CB-CB 4.21Å; K75-Q80 WeakPolarHBondContact O-CA 3.37Å; K75-Q80 WeakPolarHBondContact O-CB 3.38Å; K75-Q80 PolarHBondContact O-N 2.97Å; K75-F81 HydrophobicContact CB-CB 4.35Å
76A91.7Very high94.3Very high1 Ų166.1 Ų66.11%0.00834%0.339CS..Hα-helixtrans-59.9-43.3-179.500000112.6L68 Q72 K73 K78 G79 F81 F83 H117L68-A76 HydrophobicContact CD1-CB 3.91Å; Q72-A76 WeakPolarHBondContact O-CB 3.38Å; Q72-A76 PolarHBondContact O-N 3.41Å; K73-A76 PolarHBondContact O-N 3.44Å; A76-K78 PolarHBondContact O-N 3.19Å; A76-G79 WeakPolarHBondContact O-CA 3.48Å; A76-G79 PolarHBondContact O-N 3.24Å; A76-F81 HydrophobicContact CB-CB 3.91Å; A76-F83 HydrophobicContact CB-CE2 3.81Å; A76-F83 HydrophobicContact CB-CZ 3.62Å; A76-H117 HydrophobicContact CB-CB 4.38Å
77L88.2Confident94.3Very high105 Ų10567 Ų6755%0.5535%0.351SS..Hα-helixtrans-59.6-28.7175.9-70.1171.8000112.8K73 K75 G79 Q180K73-L77 WeakPolarHBondContact O-CG 3.34Å; K73-L77 PolarHBondContact O-N 3.47Å; K75-L77 PolarHBondContact O-N 3.07Å; L77-G79 VanDerWaalsContact C-N 3.35Å; L77-Q180 PolarHBondContact O-NE2 3.14Å; L77-Q180 VanDerWaalsContact O-NE2 3.1Å
78K88.6Confident94.4Very high147 Ų14762.3 Ų62.364%0.63932%0.323SS*.THydrogen-bonded Turntrans-89.83.9174.8-61.9178.7-176.7-179.90113.4K75 A76 Q80K75-K78 CarbonylContact O-C 3.59Å; K75-K78 PolarHBondContact O-N 3.2Å; K75-K78 VanDerWaalsContact O-N 3.08Å; A76-K78 PolarHBondContact O-N 3.19Å; K78-Q80 HydrophobicContact CB-CG 4.08Å; K78-Q80 PolarHBondContact O-N 3.15Å
79G88.1Confident94.5Very high5 Ų561.3 Ų61.35%0.05232%0.318CS..THydrogen-bonded Turntrans71.215.5-174.500000114.4K75 A76 L77 F188K75-G79 PolarHBondContact O-N 2.64Å; A76-G79 WeakPolarHBondContact O-CA 3.48Å; A76-G79 PolarHBondContact O-N 3.24Å; L77-G79 VanDerWaalsContact C-N 3.35Å; G79-F188 WeakPolarHBondContact O-CE2 3.33Å
80Q92.2Very high94.6Very high115 Ų11559 Ų5954%0.53730%0.302SS..  trans-102.119-172.5-65.1176.8-23.900113.6K75 K78K75-Q80 HydrophobicContact CB-CB 4.21Å; K75-Q80 WeakPolarHBondContact O-CA 3.37Å; K75-Q80 WeakPolarHBondContact O-CB 3.38Å; K75-Q80 PolarHBondContact O-N 2.97Å; K78-Q80 HydrophobicContact CB-CG 4.08Å; K78-Q80 PolarHBondContact O-N 3.15Å
81F94.4Very high94.8Very high29 Ų2956 Ų5613%0.12728%0.278CS..SBendtrans-116.4132175-174.4-93.4000109.8L68 Q72 K75 A76 F83 A88L68-F81 HydrophobicContact CD2-CD1 4.37Å; L68-F81 HydrophobicContact CD2-CE1 3.7Å; L68-F81 HydrophobicContact CD2-CE2 4.09Å; L68-F81 HydrophobicContact CD2-CZ 3.53Å; Q72-F81 HydrophobicContact CB-CD2 4.04Å; Q72-F81 HydrophobicContact CB-CE2 3.92Å; Q72-F81 HydrophobicContact CG-CD2 4.17Å; Q72-F81 HydrophobicContact CG-CE2 3.76Å; K75-F81 HydrophobicContact CB-CB 4.35Å; A76-F81 HydrophobicContact CB-CB 3.91Å; F81-F83 HydrophobicContact CB-CE2 4.12Å; F81-F83 HydrophobicContact CB-CZ 4.47Å; F81-F83 AromaticContact CD1-CD1 3.77Å; F81-F83 HydrophobicContact CD1-CD1 3.77Å; F81-F83 AromaticContact CD1-CD2 3.84Å; F81-F83 HydrophobicContact CD1-CD2 3.84Å; F81-F83 AromaticContact CD1-CE1 3.62Å; F81-F83 HydrophobicContact CD1-CE1 3.62Å; F81-F83 AromaticContact CD1-CE2 3.7Å; F81-F83 HydrophobicContact CD1-CE2 3.7Å; F81-F83 AromaticContact CD1-CG 3.87Å; F81-F83 HydrophobicContact CD1-CG 3.87Å; F81-F83 AromaticContact CD1-CZ 3.58Å; F81-F83 HydrophobicContact CD1-CZ 3.58Å; F81-F83 AromaticContact CE1-CD1 3.87Å; F81-F83 HydrophobicContact CE1-CD1 3.87Å; F81-F83 AromaticContact CE1-CE1 3.83Å; F81-F83 HydrophobicContact CE1-CE1 3.83Å; F81-F83 HydrophobicContact CE1-CG 4.3Å; F81-F83 HydrophobicContact CE1-CZ 4.25Å; F81-F83 HydrophobicContact CG-CE2 4.37Å; F81-F83 HydrophobicContact CG-CZ 4.36Å; F81-F83 WeakPolarHBondContact O-CD2 3.3Å; F81-F83 PolarHBondContact O-N 3.35Å; F81-A88 HydrophobicContact CE1-CB 4.2Å
82N96.5Very high94.9Very high41 Ų4156 Ų5622%0.21928%0.277CS..  trans-84.990.3-178.2-168.2-6.4000110.8D84 H85 F188N82-D84 PolarHBondContact O-N 3Å; N82-D84 PolarHBondContact OD1-N 3.37Å; N82-H85 HydrophobicContact CB-CB 4.28Å; N82-H85 PolarHBondContact OD1-N 2.97Å; N82-F188 HydrophobicContact CB-CB 4.26Å; N82-F188 HydrophobicContact CB-CD1 3.59Å; N82-F188 HydrophobicContact CB-CE1 4.17Å; N82-F188 HydrophobicContact CB-CG 4.04Å
83F96.9Very high95Very high13 Ų1354.7 Ų54.76%0.05727%0.272CS..THydrogen-bonded Turntrans-72.2-14.2174-70.2-77.8000113.2Y65 L68 A76 F81 Y112 H117Y65-F83 AromaticContact CD1-CD1 4Å; Y65-F83 HydrophobicContact CD1-CD1 4Å; Y65-F83 HydrophobicContact CE1-CB 3.98Å; Y65-F83 AromaticContact CE1-CD1 3.92Å; Y65-F83 HydrophobicContact CE1-CD1 3.92Å; Y65-F83 HydrophobicContact CE1-CG 4.45Å; Y65-F83 VanDerWaalsContact CE1-O 3.31Å; Y65-F83 WeakPolarHBondContact CE1-O 3.35Å; L68-F83 HydrophobicContact CD1-CE1 4.03Å; L68-F83 HydrophobicContact CD1-CZ 3.89Å; A76-F83 HydrophobicContact CB-CE2 3.81Å; A76-F83 HydrophobicContact CB-CZ 3.62Å; F81-F83 HydrophobicContact CB-CE2 4.12Å; F81-F83 HydrophobicContact CB-CZ 4.47Å; F81-F83 AromaticContact CD1-CD1 3.77Å; F81-F83 HydrophobicContact CD1-CD1 3.77Å; F81-F83 AromaticContact CD1-CD2 3.84Å; F81-F83 HydrophobicContact CD1-CD2 3.84Å; F81-F83 AromaticContact CD1-CE1 3.62Å; F81-F83 HydrophobicContact CD1-CE1 3.62Å; F81-F83 AromaticContact CD1-CE2 3.7Å; F81-F83 HydrophobicContact CD1-CE2 3.7Å; F81-F83 AromaticContact CD1-CG 3.87Å; F81-F83 HydrophobicContact CD1-CG 3.87Å; F81-F83 AromaticContact CD1-CZ 3.58Å; F81-F83 HydrophobicContact CD1-CZ 3.58Å; F81-F83 AromaticContact CE1-CD1 3.87Å; F81-F83 HydrophobicContact CE1-CD1 3.87Å; F81-F83 AromaticContact CE1-CE1 3.83Å; F81-F83 HydrophobicContact CE1-CE1 3.83Å; F81-F83 HydrophobicContact CE1-CG 4.3Å; F81-F83 HydrophobicContact CE1-CZ 4.25Å; F81-F83 HydrophobicContact CG-CE2 4.37Å; F81-F83 HydrophobicContact CG-CZ 4.36Å; F81-F83 WeakPolarHBondContact O-CD2 3.3Å; F81-F83 PolarHBondContact O-N 3.35Å; F83-Y112 WeakPolarHBondContact CE1-OH 3.41Å; F83-H117 AromaticContact CE2-CE1 3.65Å; F83-H117 AromaticContact CE2-ND1 3.5Å; F83-H117 HydrophobicContact CZ-CB 4.3Å; F83-H117 AromaticContact CZ-CE1 3.79Å; F83-H117 AromaticContact CZ-CG 3.99Å; F83-H117 AromaticContact CZ-ND1 3.15Å; F83-H117 WeakPolarHBondContact CZ-ND1 3.22Å
84D97.8Very high95.2Very high12 Ų1251.2 Ų51.26%0.06426%0.257CS..THydrogen-bonded Turntrans-92.9-1.5-177.5-61.1-106.7000111.9N82 I137 R166 V189 A192N82-D84 PolarHBondContact O-N 3Å; N82-D84 PolarHBondContact OD1-N 3.37Å; D84-I137 HydrophobicContact CB-CD1 4.15Å; D84-R166 IonicContact OD1-NH1 3.68Å; D84-V189 WeakPolarHBondContact OD2-CG2 3.46Å; D84-A192 HydrophobicContact CB-CB 3.55Å
85H98.3Very high95.5Very high54 Ų5451.3 Ų51.325%0.2525%0.249CC..SBendtrans-80.4143.2174.1-167-92.1000111.5N82 D87 A88 F196N82-H85 HydrophobicContact CB-CB 4.28Å; N82-H85 PolarHBondContact OD1-N 2.97Å; H85-D87 VanDerWaalsContact CE1-CG 3.4Å; H85-D87 IonicContact CE1-OD1 3.93Å; H85-D87 IonicContact CE1-OD2 3.92Å; H85-D87 PolarHBondContact CE1-OD2 3.32Å; H85-D87 WeakPolarHBondContact ND1-CB 3.49Å; H85-D87 PolarHBondContact ND1-N 3.43Å; H85-D87 VanDerWaalsContact ND1-N 3.16Å; H85-D87 IonicContact ND1-OD1 3.77Å; H85-D87 IonicContact ND1-OD2 3.39Å; H85-D87 PolarHBondContact ND1-OD2 3.47Å; H85-D87 PolarHBondContact O-N 2.9Å; H85-D87 VanDerWaalsContact O-N 3.11Å; H85-A88 VanDerWaalsContact O-CB 3.28Å; H85-A88 WeakPolarHBondContact O-CB 3.33Å; H85-A88 PolarHBondContact O-N 3.32Å; H85-F196 AromaticContact CD2-CE2 3.39Å; H85-F196 WeakPolarHBondContact CD2-CE2 3.42Å; H85-F196 AromaticContact CD2-CZ 3.46Å; H85-F196 VanDerWaalsContact CD2-CZ 3.46Å; H85-F196 WeakPolarHBondContact CD2-CZ 3.35Å; H85-F196 AromaticContact NE2-CE2 3.99Å; H85-F196 AromaticContact NE2-CZ 3.55Å
86P97.9Very high95.7Very high3 Ų351.8 Ų51.82%0.01925%0.251CS..G310 helixtrans-50.5-36.1176.6-27.631.8000115.1A88 F89 N91 L138 Y141 F196P86-A88 PolarHBondContact O-N 3.23Å; P86-F89 PolarHBondContact O-N 3.03Å; P86-N91 PolarHBondContact O-ND2 2.64Å; P86-L138 HydrophobicContact CB-CD1 4.18Å; P86-L138 HydrophobicContact CG-CD1 3.89Å; P86-Y141 HydrophobicContact CB-CD1 3.81Å; P86-Y141 HydrophobicContact CB-CE1 3.46Å; P86-Y141 VanDerWaalsContact CB-CE1 3.46Å; P86-Y141 HydrophobicContact CG-CD1 3.82Å; P86-Y141 HydrophobicContact CG-CD2 4.22Å; P86-Y141 HydrophobicContact CG-CE1 3.38Å; P86-Y141 HydrophobicContact CG-CE2 3.83Å; P86-Y141 HydrophobicContact CG-CG 4.22Å; P86-F196 HydrophobicContact CG-CB 4.25Å; P86-F196 HydrophobicContact CG-CD1 3.97Å; P86-F196 HydrophobicContact CG-CD2 4.36Å; P86-F196 HydrophobicContact CG-CE1 4.43Å; P86-F196 HydrophobicContact CG-CG 3.93Å
87D97.4Very high96.1Very high114 Ų11452 Ų5261%0.6125%0.251SS*.G310 helixtrans-69-16179.9-62.2-12000114.2R66 H85 F89R66-D87 WeakPolarHBondContact CD-O 3.42Å; H85-D87 VanDerWaalsContact CE1-CG 3.4Å; H85-D87 IonicContact CE1-OD1 3.93Å; H85-D87 IonicContact CE1-OD2 3.92Å; H85-D87 PolarHBondContact CE1-OD2 3.32Å; H85-D87 WeakPolarHBondContact ND1-CB 3.49Å; H85-D87 PolarHBondContact ND1-N 3.43Å; H85-D87 VanDerWaalsContact ND1-N 3.16Å; H85-D87 IonicContact ND1-OD1 3.77Å; H85-D87 IonicContact ND1-OD2 3.39Å; H85-D87 PolarHBondContact ND1-OD2 3.47Å; H85-D87 PolarHBondContact O-N 2.9Å; H85-D87 VanDerWaalsContact O-N 3.11Å; D87-F89 PolarHBondContact O-N 3.08Å
88A97.7Very high96.5Very high4 Ų447 Ų473%0.03323%0.226CC..G310 helixtrans-68.5-19173.900000112.1Y65 R66 F81 H85 P86Y65-A88 HydrophobicContact CD1-CB 4.15Å; Y65-A88 HydrophobicContact CE1-CB 4.15Å; R66-A88 PolarHBondContact N-O 3.41Å; F81-A88 HydrophobicContact CE1-CB 4.2Å; H85-A88 VanDerWaalsContact O-CB 3.28Å; H85-A88 WeakPolarHBondContact O-CB 3.33Å; H85-A88 PolarHBondContact O-N 3.32Å; P86-A88 PolarHBondContact O-N 3.23Å
89F98.3Very high97Very high0 Ų044.7 Ų44.70%022%0.215CC..BIsolated β-bridgetrans-99.5145.8-177.3-59.5-84.4000112.2Q61 Y65 R66 P86 D87 N91 I94 I137 L138Q61-F89 HydrophobicContact CG-CD1 3.66Å; Q61-F89 HydrophobicContact CG-CE1 3.71Å; Q61-F89 HydrophobicContact CG-CG 4.39Å; Q61-F89 HydrophobicContact CG-CZ 4.49Å; Y65-F89 HydrophobicContact CD1-CD1 4.09Å; Y65-F89 AromaticContact CD1-CE1 3.88Å; Y65-F89 HydrophobicContact CD1-CE1 3.88Å; Y65-F89 HydrophobicContact CD1-CZ 4.28Å; Y65-F89 HydrophobicContact CE1-CD1 4.04Å; Y65-F89 AromaticContact CE1-CE1 3.39Å; Y65-F89 HydrophobicContact CE1-CE1 3.39Å; Y65-F89 HydrophobicContact CE1-CE2 4.08Å; Y65-F89 AromaticContact CE1-CZ 3.42Å; Y65-F89 HydrophobicContact CE1-CZ 3.42Å; Y65-F89 VanDerWaalsContact CE1-CZ 3.42Å; Y65-F89 HydrophobicContact CE2-CE1 4.19Å; Y65-F89 HydrophobicContact CG-CE1 4.45Å; Y65-F89 AromaticContact CZ-CE1 3.55Å; Y65-F89 AromaticContact CZ-CZ 3.63Å; Y65-F89 WeakPolarHBondContact OH-CZ 3.4Å; R66-F89 PolarHBondContact NE-O 3.17Å; P86-F89 PolarHBondContact O-N 3.03Å; D87-F89 PolarHBondContact O-N 3.08Å; F89-N91 PolarHBondContact O-N 3.26Å; F89-N91 PolarHBondContact O-ND2 3.14Å; F89-I94 HydrophobicContact CB-CD1 4.17Å; F89-I137 HydrophobicContact CE2-CD1 4.3Å; F89-I137 HydrophobicContact CZ-CD1 4Å; F89-I137 HydrophobicContact CZ-CG1 4.04Å; F89-L138 HydrophobicContact CD2-CD1 4Å; F89-L138 HydrophobicContact CE2-CD1 3.73Å; F89-L138 HydrophobicContact CE2-CG 4.47Å
90D97.9Very high97.4Very high28 Ų2847 Ų4715%0.1523%0.225CC..  trans-81.373.2172.1-162.9-14.8000109.5F64 R66 E92 L93 I94 R119F64-D90 WeakPolarHBondContact O-CB 3.16Å; F64-D90 PolarHBondContact O-N 3.02Å; R66-D90 HydrophobicContact CG-CB 4.03Å; R66-D90 IonicContact NH1-OD1 2.62Å; D90-E92 PolarHBondContact O-N 2.93Å; D90-L93 HydrophobicContact CB-CB 3.93Å; D90-L93 PolarHBondContact O-N 3.13Å; D90-L93 VanDerWaalsContact O-N 3.09Å; D90-L93 PolarHBondContact OD1-N 2.92Å; D90-I94 WeakPolarHBondContact O-CG1 3.33Å; D90-I94 PolarHBondContact O-N 2.97Å; D90-R119 IonicContact OD2-NH2 3.23Å
91N97.3Very high97.7Very high46 Ų4642 Ų4225%0.24620%0.202CC..Hα-helixtrans-60.8-31.5-173.3-65-57.3000113P86 F89 F95P86-N91 PolarHBondContact O-ND2 2.64Å; F89-N91 PolarHBondContact O-N 3.26Å; F89-N91 PolarHBondContact O-ND2 3.14Å; N91-F95 WeakPolarHBondContact O-CB 3.37Å; N91-F95 PolarHBondContact O-N 3.22Å
92E97.7Very high97.8Very high151 Ų15141.7 Ų41.771%0.70620%0.202SC*.Hα-helixtrans-66-45.4174.1-68.7176.7-168.300111.1D90 F95 K96D90-E92 PolarHBondContact O-N 2.93Å; E92-F95 PolarHBondContact O-N 2.89Å; E92-K96 VanDerWaalsContact O-CB 3.28Å; E92-K96 WeakPolarHBondContact O-CB 3.37Å; E92-K96 PolarHBondContact O-N 2.85Å
93L98.1Very high97.7Very high42 Ų4244.6 Ų44.622%0.2222%0.215CC..Hα-helixtrans-64.2-43175.9-176.561.1000111.5F64 D90 F95 K96 T97 P110F64-L93 HydrophobicContact CD1-CB 4.39Å; F64-L93 HydrophobicContact CD1-CD2 3.95Å; F64-L93 HydrophobicContact CD1-CG 3.85Å; F64-L93 HydrophobicContact CE1-CD2 4.46Å; F64-L93 HydrophobicContact CE1-CG 4.11Å; D90-L93 HydrophobicContact CB-CB 3.93Å; D90-L93 PolarHBondContact O-N 3.13Å; D90-L93 VanDerWaalsContact O-N 3.09Å; D90-L93 PolarHBondContact OD1-N 2.92Å; L93-F95 PolarHBondContact O-N 3.1Å; L93-K96 PolarHBondContact O-N 2.83Å; L93-T97 VanDerWaalsContact O-CB 3.28Å; L93-T97 WeakPolarHBondContact O-CB 3.37Å; L93-T97 PolarHBondContact O-N 2.88Å; L93-T97 PolarHBondContact O-OG1 3.38Å; L93-P110 HydrophobicContact CD2-CG 4.26Å
94I98.6Very high97.7Very high2 Ų246 Ų461%0.0123%0.233CC..Hα-helixtrans-55.5-54175.2-68.3167.7000110.3Q61 F64 F89 D90 T97 L98 F134 V145Q61-I94 HydrophobicContact CG-CD1 3.99Å; F64-I94 HydrophobicContact CB-CD1 3.81Å; F64-I94 HydrophobicContact CB-CG1 3.44Å; F64-I94 VanDerWaalsContact CB-CG1 3.44Å; F64-I94 HydrophobicContact CD1-CG1 3.74Å; F64-I94 HydrophobicContact CD2-CG1 4.01Å; F64-I94 HydrophobicContact CE1-CG1 4.46Å; F64-I94 HydrophobicContact CG-CD1 4.3Å; F64-I94 HydrophobicContact CG-CG1 3.47Å; F64-I94 VanDerWaalsContact CG-CG1 3.47Å; F89-I94 HydrophobicContact CB-CD1 4.17Å; D90-I94 WeakPolarHBondContact O-CG1 3.33Å; D90-I94 PolarHBondContact O-N 2.97Å; I94-T97 PolarHBondContact O-N 2.62Å; I94-L98 HydrophobicContact CG2-CD1 3.85Å; I94-L98 HydrophobicContact CG2-CG 4.48Å; I94-L98 WeakPolarHBondContact O-CB 3.43Å; I94-L98 WeakPolarHBondContact O-CG 3.44Å; I94-L98 PolarHBondContact O-N 2.96Å; I94-F134 HydrophobicContact CG2-CE1 4.41Å; I94-F134 HydrophobicContact CG2-CE2 4.19Å; I94-F134 HydrophobicContact CG2-CZ 3.7Å; I94-V145 HydrophobicContact CG2-CG1 4.35Å; I94-V145 HydrophobicContact CG2-CG2 4.05Å
95F98.5Very high97.6Very high54 Ų5450.1 Ų50.124%0.23725%0.25CS..Hα-helixtrans-62.3-46.5-177.5178.6-109.3000111.7N91 E92 L93 T97 L98 K99 E144 V145 L148N91-F95 WeakPolarHBondContact O-CB 3.37Å; N91-F95 PolarHBondContact O-N 3.22Å; E92-F95 PolarHBondContact O-N 2.89Å; L93-F95 PolarHBondContact O-N 3.1Å; F95-T97 PolarHBondContact O-N 2.78Å; F95-L98 PolarHBondContact O-N 3.49Å; F95-K99 HydrophobicContact CE1-CD 4.3Å; F95-K99 HydrophobicContact CZ-CD 4.18Å; F95-K99 WeakPolarHBondContact O-CB 3.42Å; F95-K99 PolarHBondContact O-N 3.05Å; F95-E144 HydrophobicContact CD2-CB 3.9Å; F95-E144 HydrophobicContact CE2-CB 3.73Å; F95-E144 HydrophobicContact CZ-CB 4.36Å; F95-V145 HydrophobicContact CB-CG2 4.16Å; F95-V145 HydrophobicContact CD2-CG2 4.27Å; F95-L148 HydrophobicContact CD2-CD1 4.06Å; F95-L148 HydrophobicContact CE2-CD1 4.11Å; F95-L148 HydrophobicContact CE2-CG 4.48Å
96K98.4Very high97.5Very high122 Ų12251 Ų5153%0.5326%0.259SS..Hα-helixtrans-57.5-49.6176.8-179.9-176.7172.4-1750111.5E92 L93 K99 E100E92-K96 VanDerWaalsContact O-CB 3.28Å; E92-K96 WeakPolarHBondContact O-CB 3.37Å; E92-K96 PolarHBondContact O-N 2.85Å; L93-K96 PolarHBondContact O-N 2.83Å; K96-K99 PolarHBondContact O-N 2.94Å; K96-E100 WeakPolarHBondContact CE-OE1 3.25Å; K96-E100 IonicContact NZ-OE1 3.91Å; K96-E100 WeakPolarHBondContact O-CG 3.37Å; K96-E100 PolarHBondContact O-N 2.83Å
97T98.5Very high97.5Very high4 Ų451 Ų513%0.02526%0.26CS..Hα-helixtrans-63.7-45.4-178.4-66.20000111.8L59 F64 L93 I94 F95 K99 E100 I101 V107 I109L59-T97 HydrophobicContact CD2-CG2 4.41Å; F64-T97 HydrophobicContact CE1-CG2 4.22Å; F64-T97 HydrophobicContact CZ-CG2 4.09Å; L93-T97 VanDerWaalsContact O-CB 3.28Å; L93-T97 WeakPolarHBondContact O-CB 3.37Å; L93-T97 PolarHBondContact O-N 2.88Å; L93-T97 PolarHBondContact O-OG1 3.38Å; I94-T97 PolarHBondContact O-N 2.62Å; F95-T97 PolarHBondContact O-N 2.78Å; T97-K99 VanDerWaalsContact C-N 3.28Å; T97-K99 PolarHBondContact O-N 3.36Å; T97-E100 PolarHBondContact O-N 3.28Å; T97-I101 HydrophobicContact CG2-CD1 4.11Å; T97-I101 VanDerWaalsContact O-CG1 3.31Å; T97-I101 WeakPolarHBondContact O-CG1 3.41Å; T97-I101 PolarHBondContact O-N 3.38Å; T97-V107 HydrophobicContact CG2-CB 4.22Å; T97-V107 HydrophobicContact CG2-CG1 4.46Å; T97-V107 HydrophobicContact CG2-CG2 4.02Å; T97-I109 HydrophobicContact CG2-CD1 3.43Å; T97-I109 VanDerWaalsContact CG2-CD1 3.43Å
98L98.4Very high97.6Very high1 Ų150.1 Ų50.11%0.00525%0.252CS..Hα-helixtrans-63.1-37.4177.2-70.7174.8000111.6L22 I94 F95 I101 T102 F134 V145 L148 F149L22-L98 HydrophobicContact CD2-CD2 4.32Å; I94-L98 HydrophobicContact CG2-CD1 3.85Å; I94-L98 HydrophobicContact CG2-CG 4.48Å; I94-L98 WeakPolarHBondContact O-CB 3.43Å; I94-L98 WeakPolarHBondContact O-CG 3.44Å; I94-L98 PolarHBondContact O-N 2.96Å; F95-L98 PolarHBondContact O-N 3.49Å; L98-I101 HydrophobicContact CD2-CD1 4.48Å; L98-I101 WeakPolarHBondContact O-CB 3.32Å; L98-I101 PolarHBondContact O-N 3.23Å; L98-T102 WeakPolarHBondContact O-CG2 3.42Å; L98-T102 PolarHBondContact O-N 3.31Å; L98-F134 HydrophobicContact CD1-CD1 4.47Å; L98-F134 HydrophobicContact CD1-CD2 4.34Å; L98-F134 HydrophobicContact CD1-CE2 4.44Å; L98-F134 HydrophobicContact CD1-CG 4.35Å; L98-F134 HydrophobicContact CD2-CB 4.33Å; L98-F134 HydrophobicContact CD2-CD2 3.96Å; L98-F134 HydrophobicContact CD2-CG 4.23Å; L98-V145 HydrophobicContact CD1-CG1 3.72Å; L98-L148 HydrophobicContact CB-CD1 3.67Å; L98-L148 HydrophobicContact CD1-CD1 4.41Å; L98-F149 HydrophobicContact CD1-CE1 4.41Å; L98-F149 HydrophobicContact CD1-CZ 4.26Å
99K97.7Very high97.6Very high98 Ų9850.3 Ų50.343%0.42625%0.252SS..Hα-helixtrans-67.1-43.3175.8-169.1160.9-174.9170.30112.6F95 K96 T97 I101 T102 E103F95-K99 HydrophobicContact CE1-CD 4.3Å; F95-K99 HydrophobicContact CZ-CD 4.18Å; F95-K99 WeakPolarHBondContact O-CB 3.42Å; F95-K99 PolarHBondContact O-N 3.05Å; K96-K99 PolarHBondContact O-N 2.94Å; T97-K99 VanDerWaalsContact C-N 3.28Å; T97-K99 PolarHBondContact O-N 3.36Å; K99-I101 VanDerWaalsContact C-N 3.27Å; K99-I101 PolarHBondContact O-N 3.29Å; K99-T102 WeakPolarHBondContact CA-OG1 3.26Å; K99-T102 PolarHBondContact O-N 3.15Å; K99-T102 VanDerWaalsContact O-N 3.15Å; K99-T102 PolarHBondContact O-OG1 3.43Å; K99-E103 WeakPolarHBondContact O-CG 3.4Å; K99-E103 PolarHBondContact O-N 3.06Å; K99-E103 VanDerWaalsContact O-N 3.07Å
100E97.9Very high97.5Very high53 Ų5350.8 Ų50.825%0.24826%0.255CS..Hα-helixtrans-60.7-37.6173.7-74.5176.2170.700111.9K96 T97 E103 G104 K105 V107K96-E100 WeakPolarHBondContact CE-OE1 3.25Å; K96-E100 IonicContact NZ-OE1 3.91Å; K96-E100 WeakPolarHBondContact O-CG 3.37Å; K96-E100 PolarHBondContact O-N 2.83Å; T97-E100 PolarHBondContact O-N 3.28Å; E100-E103 PolarHBondContact O-N 2.86Å; E100-G104 PolarHBondContact O-N 3.39Å; E100-K105 HydrophobicContact CB-CB 4.29Å; E100-K105 HydrophobicContact CB-CD 4.08Å; E100-K105 HydrophobicContact CG-CD 4.05Å; E100-K105 VanDerWaalsContact O-CB 3.31Å; E100-K105 WeakPolarHBondContact O-CB 3.35Å; E100-K105 PolarHBondContact O-N 3.34Å; E100-V107 HydrophobicContact CB-CG1 3.62Å
101I97.4Very high97.5Very high11 Ų1151 Ų516%0.05626%0.257CS..Hα-helixtrans-61.4-47.8172.5-72.7168.8000110.9P20 L22 L59 T97 L98 K99 E103 G104 V107 V132P20-I101 HydrophobicContact CG-CG2 4.24Å; P20-I101 WeakPolarHBondContact CG-O 3.21Å; L22-I101 HydrophobicContact CD1-CG2 4.32Å; L59-I101 HydrophobicContact CD1-CD1 3.88Å; L59-I101 HydrophobicContact CD2-CD1 3.82Å; T97-I101 HydrophobicContact CG2-CD1 4.11Å; T97-I101 VanDerWaalsContact O-CG1 3.31Å; T97-I101 WeakPolarHBondContact O-CG1 3.41Å; T97-I101 PolarHBondContact O-N 3.38Å; L98-I101 HydrophobicContact CD2-CD1 4.48Å; L98-I101 WeakPolarHBondContact O-CB 3.32Å; L98-I101 PolarHBondContact O-N 3.23Å; K99-I101 VanDerWaalsContact C-N 3.27Å; K99-I101 PolarHBondContact O-N 3.29Å; I101-E103 PolarHBondContact O-N 3.43Å; I101-G104 PolarHBondContact O-N 3.04Å; I101-V107 HydrophobicContact CD1-CG2 3.96Å; I101-V107 HydrophobicContact CG1-CG1 4.07Å; I101-V107 HydrophobicContact CG1-CG2 3.74Å; I101-V132 HydrophobicContact CG2-CG1 4.44Å; I101-V132 HydrophobicContact CG2-CG2 3.71Å
102T96.3Very high97.4Very high22 Ų2249.6 Ų49.614%0.13525%0.249CC..Hα-helixtrans-60.5-26.6177.255.80000113.1P20 L22 L98 K99 G104P20-T102 WeakPolarHBondContact CD-O 3.32Å; L22-T102 HydrophobicContact CD1-CG2 3.89Å; L22-T102 HydrophobicContact CD2-CG2 3.69Å; L22-T102 HydrophobicContact CG-CG2 4.44Å; L98-T102 WeakPolarHBondContact O-CG2 3.42Å; L98-T102 PolarHBondContact O-N 3.31Å; K99-T102 WeakPolarHBondContact CA-OG1 3.26Å; K99-T102 PolarHBondContact O-N 3.15Å; K99-T102 VanDerWaalsContact O-N 3.15Å; K99-T102 PolarHBondContact O-OG1 3.43Å; T102-G104 PolarHBondContact O-N 3.05Å
103E96Very high97.2Very high103 Ų10344.4 Ų44.448%0.48123%0.226SC..THydrogen-bonded Turntrans-82.94.6175.2-66.2169-175.100113.2K99 E100 I101 K105K99-E103 WeakPolarHBondContact O-CG 3.4Å; K99-E103 PolarHBondContact O-N 3.06Å; K99-E103 VanDerWaalsContact O-N 3.07Å; E100-E103 PolarHBondContact O-N 2.86Å; I101-E103 PolarHBondContact O-N 3.43Å; E103-K105 VanDerWaalsContact C-N 3.35Å; E103-K105 HydrophobicContact CB-CD 4.34Å; E103-K105 HydrophobicContact CB-CG 4.31Å; E103-K105 WeakPolarHBondContact OE2-CE 3.35Å; E103-K105 IonicContact OE2-NZ 3.42Å; E103-K105 PolarHBondContact OE2-NZ 3.24Å
104G95Very high96.8Very high43 Ų4345 Ų4544%0.44323%0.226SC..THydrogen-bonded Turntrans72.225179.100000113.9E100 I101 T102 P128E100-G104 PolarHBondContact O-N 3.39Å; I101-G104 PolarHBondContact O-N 3.04Å; T102-G104 PolarHBondContact O-N 3.05Å; G104-P128 WeakPolarHBondContact O-CG 3.38Å
105K96.5Very high96.4Very high98 Ų9849.3 Ų49.343%0.42625%0.253SS..  trans-89.6147.5179.5-63172.2174.3165.50111.6E100 E103E100-K105 HydrophobicContact CB-CB 4.29Å; E100-K105 HydrophobicContact CB-CD 4.08Å; E100-K105 HydrophobicContact CG-CD 4.05Å; E100-K105 VanDerWaalsContact O-CB 3.31Å; E100-K105 WeakPolarHBondContact O-CB 3.35Å; E100-K105 PolarHBondContact O-N 3.34Å; E103-K105 VanDerWaalsContact C-N 3.35Å; E103-K105 HydrophobicContact CB-CD 4.34Å; E103-K105 HydrophobicContact CB-CG 4.31Å; E103-K105 WeakPolarHBondContact OE2-CE 3.35Å; E103-K105 IonicContact OE2-NZ 3.42Å; E103-K105 PolarHBondContact OE2-NZ 3.24Å
106T97.1Very high96Very high72 Ų7248.5 Ų48.544%0.44225%0.254SS..  trans-71129.3164.2-56.60000109.5T125 I126 Y127T106-T125 HydrophobicContact CG2-CG2 3.39Å; T106-I126 WeakPolarHBondContact CA-O 3.4Å; T106-Y127 HydrophobicContact CG2-CD1 4.01Å; T106-Y127 HydrophobicContact CG2-CE1 4.1Å
107V97.8Very high95.6Very high4 Ų443.3 Ų43.32%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-122.1154.4-177.4-620000112T97 E100 I101 I109 T125 I126T97-V107 HydrophobicContact CG2-CB 4.22Å; T97-V107 HydrophobicContact CG2-CG1 4.46Å; T97-V107 HydrophobicContact CG2-CG2 4.02Å; E100-V107 HydrophobicContact CB-CG1 3.62Å; I101-V107 HydrophobicContact CD1-CG2 3.96Å; I101-V107 HydrophobicContact CG1-CG1 4.07Å; I101-V107 HydrophobicContact CG1-CG2 3.74Å; V107-I109 HydrophobicContact CB-CD1 4.48Å; V107-I109 HydrophobicContact CG2-CD1 3.74Å; V107-I109 HydrophobicContact CG2-CG1 4.42Å; V107-T125 CarbonylContact O-C 3.58Å; V107-T125 WeakPolarHBondContact O-CA 3.33Å; V107-I126 HydrophobicContact CG2-CB 3.86Å; V107-I126 HydrophobicContact CG2-CG2 4.48Å; V107-I126 PolarHBondContact N-O 3.09Å; V107-I126 PolarHBondContact O-N 3.44Å
108Q97.9Very high95.3Very high95 Ų9544.5 Ų44.544%0.44424%0.24SC..EExtended strand (participates in β ladder)trans-104.5122.1174.2-63.1-61-17.800110T123 T125Q108-T123 PolarHBondContact OE1-OG1 3.12Å; Q108-T125 PolarHBondContact NE2-OG1 3.36Å; Q108-T125 PolarHBondContact OE1-OG1 3.39Å
109I97.8Very high95.1Very high8 Ų848 Ų484%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-101.6128.4-177.8-52-53.8000109.6L59 F64 T97 V107 T123 V124 I126L59-I109 HydrophobicContact CD2-CD1 3.44Å; L59-I109 VanDerWaalsContact CD2-CD1 3.44Å; L59-I109 HydrophobicContact CD2-CG1 3.88Å; F64-I109 HydrophobicContact CE2-CG2 4.31Å; F64-I109 HydrophobicContact CZ-CD1 4.05Å; F64-I109 HydrophobicContact CZ-CG2 4.15Å; T97-I109 HydrophobicContact CG2-CD1 3.43Å; T97-I109 VanDerWaalsContact CG2-CD1 3.43Å; V107-I109 HydrophobicContact CB-CD1 4.48Å; V107-I109 HydrophobicContact CG2-CD1 3.74Å; V107-I109 HydrophobicContact CG2-CG1 4.42Å; I109-T123 CarbonylContact O-C 3.54Å; I109-T123 VanDerWaalsContact O-CA 3.29Å; I109-T123 WeakPolarHBondContact O-CA 3.37Å; I109-T123 WeakPolarHBondContact O-CB 3.46Å; I109-V124 HydrophobicContact CB-CB 4.44Å; I109-V124 PolarHBondContact N-O 2.92Å; I109-V124 PolarHBondContact O-N 3.21Å; I109-I126 HydrophobicContact CD1-CG1 4.41Å; I109-I126 HydrophobicContact CG1-CB 4.38Å; I109-I126 HydrophobicContact CG1-CG1 3.52Å
110P97.5Very high94.9Very high9 Ų947.6 Ų47.66%0.05825%0.252CS..EExtended strand (participates in β ladder)trans-61.7144.4174.324.7-34.6000112.7S63 F64 L93 R119S63-P110 WeakPolarHBondContact CB-O 3.27Å; S63-P110 WeakPolarHBondContact O-CG 3.46Å; S63-P110 PolarHBondContact OG-O 3.27Å; F64-P110 HydrophobicContact CD1-CG 4.23Å; F64-P110 HydrophobicContact CE1-CG 4.47Å; L93-P110 HydrophobicContact CD2-CG 4.26Å; P110-R119 VanDerWaalsContact CB-CD 3.43Å; P110-R119 HydrophobicContact CB-CG 3.76Å
111V96.4Very high94.8Very high32 Ų3254.6 Ų54.619%0.19428%0.284CS..EExtended strand (participates in β ladder)trans-98.2122.2169.7-178.90000109R119 K120 E122 V124V111-R119 WeakPolarHBondContact O-CA 3.28Å; V111-K120 HydrophobicContact CB-CB 4.39Å; V111-K120 HydrophobicContact CG1-CD 3.96Å; V111-K120 HydrophobicContact CG1-CG 4.38Å; V111-K120 PolarHBondContact O-N 2.95Å; V111-E122 HydrophobicContact CB-CG 4.25Å; V111-E122 HydrophobicContact CG2-CG 4.02Å; V111-V124 HydrophobicContact CG2-CG2 3.65Å
112Y95.4Very high94.7Very high18 Ų1858.7 Ų58.77%0.07130%0.303CS..EExtended strand (participates in β ladder)trans-101.3134.2178.4-167.8-103.8000111.5D62 Y65 F83 F114D62-Y112 WeakPolarHBondContact O-CB 3.24Å; Y65-Y112 VanDerWaalsContact CB-CE2 3.41Å; Y65-Y112 AromaticContact CD2-CD1 3.59Å; Y65-Y112 HydrophobicContact CD2-CD1 3.59Å; Y65-Y112 HydrophobicContact CD2-CD2 4.37Å; Y65-Y112 AromaticContact CD2-CE1 3.47Å; Y65-Y112 HydrophobicContact CD2-CE1 3.47Å; Y65-Y112 VanDerWaalsContact CD2-CE1 3.47Å; Y65-Y112 HydrophobicContact CD2-CE2 4.29Å; Y65-Y112 HydrophobicContact CD2-CG 4.03Å; Y65-Y112 AromaticContact CD2-CZ 3.84Å; Y65-Y112 HydrophobicContact CE2-CD1 4.39Å; Y65-Y112 HydrophobicContact CE2-CE1 4.22Å; Y65-Y112 HydrophobicContact CG-CD1 4.4Å; Y65-Y112 HydrophobicContact CG-CD2 4.49Å; Y65-Y112 HydrophobicContact CG-CE1 4.06Å; Y65-Y112 HydrophobicContact CG-CE2 4.17Å; Y65-Y112 AromaticContact CG-CZ 3.92Å; F83-Y112 WeakPolarHBondContact CE1-OH 3.41Å; Y112-F114 HydrophobicContact CD1-CD1 4.02Å; Y112-F114 HydrophobicContact CD1-CE1 4.09Å; Y112-F114 HydrophobicContact CD1-CG 4.32Å; Y112-F114 HydrophobicContact CD1-CZ 4.43Å; Y112-F114 HydrophobicContact CE1-CD1 4.06Å; Y112-F114 HydrophobicContact CE1-CE1 4.4Å
113D93.4Very high94.7Very high42 Ų4261.2 Ų61.223%0.22532%0.318CS..EExtended strand (participates in β ladder)trans-105112.4175.6176.78000110.6V115 S116 H117 S118 K120D113-V115 VanDerWaalsContact C-N 3.28Å; D113-V115 PolarHBondContact O-N 3.29Å; D113-V115 WeakPolarHBondContact OD1-CB 3.42Å; D113-V115 PolarHBondContact OD1-N 2.91Å; D113-S116 WeakPolarHBondContact CB-OG 3Å; D113-S116 PolarHBondContact OD1-N 3.44Å; D113-S116 VanDerWaalsContact OD2-CB 3.25Å; D113-S116 WeakPolarHBondContact OD2-CB 3.28Å; D113-S116 PolarHBondContact OD2-N 3.43Å; D113-S116 PolarHBondContact OD2-OG 3.02Å; D113-H117 WeakPolarHBondContact O-CA 3.43Å; D113-H117 PolarHBondContact O-N 3Å; D113-S118 PolarHBondContact N-O 2.96Å; D113-S118 PolarHBondContact O-N 3.49Å; D113-K120 HydrophobicContact CB-CG 4.11Å
114F90.7Very high94.7Very high53 Ų5359.2 Ų59.223%0.23231%0.313CS..THydrogen-bonded Turntrans-72.2-17.7-179.1-62.1-83.9000114.4D62 Y65 Y112 R176D62-F114 HydrophobicContact CB-CE1 4.08Å; D62-F114 HydrophobicContact CB-CZ 3.68Å; D62-F114 WeakPolarHBondContact OD2-CZ 3.31Å; Y65-F114 HydrophobicContact CE2-CE1 4.15Å; Y112-F114 HydrophobicContact CD1-CD1 4.02Å; Y112-F114 HydrophobicContact CD1-CE1 4.09Å; Y112-F114 HydrophobicContact CD1-CG 4.32Å; Y112-F114 HydrophobicContact CD1-CZ 4.43Å; Y112-F114 HydrophobicContact CE1-CD1 4.06Å; Y112-F114 HydrophobicContact CE1-CE1 4.4Å; F114-R176 PolarHBondContact O-NH2 3.35Å
115V89.6Confident94.8Very high93 Ų9358.6 Ų58.656%0.56430%0.301SS*.THydrogen-bonded Turntrans-82.1-49.9178.1-178.70000109.3D113D113-V115 VanDerWaalsContact C-N 3.28Å; D113-V115 PolarHBondContact O-N 3.29Å; D113-V115 WeakPolarHBondContact OD1-CB 3.42Å; D113-V115 PolarHBondContact OD1-N 2.91Å
116S89.5Confident94.8Very high38 Ų3854.8 Ų54.827%0.26629%0.285SS..THydrogen-bonded Turntrans-84.4-8179.667.20000114.5K73 D113 S118K73-S116 WeakPolarHBondContact CE-O 3.39Å; K73-S116 PolarHBondContact NZ-O 3.31Å; D113-S116 WeakPolarHBondContact CB-OG 3Å; D113-S116 PolarHBondContact OD1-N 3.44Å; D113-S116 VanDerWaalsContact OD2-CB 3.25Å; D113-S116 WeakPolarHBondContact OD2-CB 3.28Å; D113-S116 PolarHBondContact OD2-N 3.43Å; D113-S116 PolarHBondContact OD2-OG 3.02Å; S116-S118 VanDerWaalsContact C-N 3.28Å; S116-S118 WeakPolarHBondContact CB-OG 3.31Å; S116-S118 PolarHBondContact O-N 2.93Å; S116-S118 PolarHBondContact O-OG 3Å; S116-S118 PolarHBondContact OG-OG 3.38Å
117H90.1Very high94.7Very high12 Ų1255.1 Ų55.16%0.05628%0.279CS..THydrogen-bonded Turntrans52.944.1-173.5-60.7-84.2000112.5L68 A76 F83 D113 R176L68-H117 HydrophobicContact CD1-CB 4.16Å; A76-H117 HydrophobicContact CB-CB 4.38Å; F83-H117 AromaticContact CE2-CE1 3.65Å; F83-H117 AromaticContact CE2-ND1 3.5Å; F83-H117 HydrophobicContact CZ-CB 4.3Å; F83-H117 AromaticContact CZ-CE1 3.79Å; F83-H117 AromaticContact CZ-CG 3.99Å; F83-H117 AromaticContact CZ-ND1 3.15Å; F83-H117 WeakPolarHBondContact CZ-ND1 3.22Å; D113-H117 WeakPolarHBondContact O-CA 3.43Å; D113-H117 PolarHBondContact O-N 3Å; H117-R176 PolarHBondContact CE1-NH2 2.88Å
118S92.7Very high94.6Very high29 Ų2957.3 Ų57.320%0.20329%0.293CS..EExtended strand (participates in β ladder)trans-144156.4-178.121.70000112.5K73 D113 S116K73-S118 PolarHBondContact NZ-OG 3.14Å; D113-S118 PolarHBondContact N-O 2.96Å; D113-S118 PolarHBondContact O-N 3.49Å; S116-S118 VanDerWaalsContact C-N 3.28Å; S116-S118 WeakPolarHBondContact CB-OG 3.31Å; S116-S118 PolarHBondContact O-N 2.93Å; S116-S118 PolarHBondContact O-OG 3Å; S116-S118 PolarHBondContact OG-OG 3.38Å
119R94.1Very high94.5Very high75 Ų7553.3 Ų53.328%0.28328%0.276SS..EExtended strand (participates in β ladder)trans-75.8135.7165.7-167.9177.7-69.6174.35.6108.8Y65 V67 D90 P110 V111Y65-R119 PolarHBondContact O-NH2 2.88Å; V67-R119 HydrophobicContact CG2-CB 4.36Å; D90-R119 IonicContact OD2-NH2 3.23Å; P110-R119 VanDerWaalsContact CB-CD 3.43Å; P110-R119 HydrophobicContact CB-CG 3.76Å; V111-R119 WeakPolarHBondContact O-CA 3.28Å
120K94.5Very high94.4Very high90 Ų9054.6 Ų54.639%0.39128%0.283SS..EExtended strand (participates in β ladder)trans-80.7167.1174.3-57.1-171.1177.5-178.20111.1V111 D113 E122V111-K120 HydrophobicContact CB-CB 4.39Å; V111-K120 HydrophobicContact CG1-CD 3.96Å; V111-K120 HydrophobicContact CG1-CG 4.38Å; V111-K120 PolarHBondContact O-N 2.95Å; D113-K120 HydrophobicContact CB-CG 4.11Å; K120-E122 HydrophobicContact CB-CG 4.32Å; K120-E122 VanDerWaalsContact CB-OE2 3.29Å; K120-E122 WeakPolarHBondContact CB-OE2 3.38Å; K120-E122 VanDerWaalsContact CD-CD 3.46Å; K120-E122 WeakPolarHBondContact CD-OE1 3.31Å; K120-E122 IonicContact NZ-OE1 3.2Å; K120-E122 PolarHBondContact NZ-OE1 3.4Å
121E94.7Very high94.4Very high199 Ų19954.1 Ų54.193%0.9328%0.28SS*.EExtended strand (participates in β ladder)trans-71.7-33.5176.4-66.9-173.7172.900111.6
122E95.1Very high94.5Very high98 Ų9852.7 Ų52.746%0.45827%0.271SS..EExtended strand (participates in β ladder)trans-68.1150.1175.869.4-95.4-152.600112.9V111 K120V111-E122 HydrophobicContact CB-CG 4.25Å; V111-E122 HydrophobicContact CG2-CG 4.02Å; K120-E122 HydrophobicContact CB-CG 4.32Å; K120-E122 VanDerWaalsContact CB-OE2 3.29Å; K120-E122 WeakPolarHBondContact CB-OE2 3.38Å; K120-E122 VanDerWaalsContact CD-CD 3.46Å; K120-E122 WeakPolarHBondContact CD-OE1 3.31Å; K120-E122 IonicContact NZ-OE1 3.2Å; K120-E122 PolarHBondContact NZ-OE1 3.4Å
123T97Very high94.7Very high74 Ų7451.8 Ų51.845%0.45427%0.268SS..EExtended strand (participates in β ladder)trans-127.1158.3173.154.40000109.7Q108 I109Q108-T123 PolarHBondContact OE1-OG1 3.12Å; I109-T123 CarbonylContact O-C 3.54Å; I109-T123 VanDerWaalsContact O-CA 3.29Å; I109-T123 WeakPolarHBondContact O-CA 3.37Å; I109-T123 WeakPolarHBondContact O-CB 3.46Å
124V96.1Very high94.9Very high61 Ų6149.9 Ų49.937%0.3726%0.257SS..EExtended strand (participates in β ladder)trans-107.2121.3177.6174.50000108.3Y51 I109 V111 I126Y51-V124 WeakPolarHBondContact OH-CG1 3.41Å; I109-V124 HydrophobicContact CB-CB 4.44Å; I109-V124 PolarHBondContact N-O 2.92Å; I109-V124 PolarHBondContact O-N 3.21Å; V111-V124 HydrophobicContact CG2-CG2 3.65Å; V124-I126 HydrophobicContact CG1-CD1 4.15Å; V124-I126 PolarHBondContact O-N 2.88Å
125T97.2Very high95.3Very high31 Ų3147.8 Ų47.819%0.1925%0.249CC..EExtended strand (participates in β ladder)trans-85.3108.1-177-55.60000111.9Y51 T106 V107 Q108 Y127Y51-T125 WeakPolarHBondContact CE1-O 3.37Å; Y51-T125 PolarHBondContact OH-N 2.9Å; Y51-T125 PolarHBondContact OH-O 3.12Å; T106-T125 HydrophobicContact CG2-CG2 3.39Å; V107-T125 CarbonylContact O-C 3.58Å; V107-T125 WeakPolarHBondContact O-CA 3.33Å; Q108-T125 PolarHBondContact NE2-OG1 3.36Å; Q108-T125 PolarHBondContact OE1-OG1 3.39Å; T125-Y127 HydrophobicContact CG2-CD2 4.37Å; T125-Y127 HydrophobicContact CG2-CE1 4.28Å; T125-Y127 HydrophobicContact CG2-CE2 3.79Å
126I95.9Very high95.7Very high17 Ų1743.5 Ų43.59%0.08722%0.223CC..EExtended strand (participates in β ladder)trans-90.3117.2174.5-58.5-61.1000109.3V57 T106 V107 I109 V124V57-I126 HydrophobicContact CB-CG2 4.36Å; V57-I126 HydrophobicContact CG1-CG2 4.37Å; V57-I126 HydrophobicContact CG2-CG2 3.94Å; T106-I126 WeakPolarHBondContact CA-O 3.4Å; V107-I126 HydrophobicContact CG2-CB 3.86Å; V107-I126 HydrophobicContact CG2-CG2 4.48Å; V107-I126 PolarHBondContact N-O 3.09Å; V107-I126 PolarHBondContact O-N 3.44Å; I109-I126 HydrophobicContact CD1-CG1 4.41Å; I109-I126 HydrophobicContact CG1-CB 4.38Å; I109-I126 HydrophobicContact CG1-CG1 3.52Å; V124-I126 HydrophobicContact CG1-CD1 4.15Å; V124-I126 PolarHBondContact O-N 2.88Å
127Y95.9Very high96.2Very high79 Ų7942.3 Ų42.331%0.3121%0.214SC..PPolyproline II helixtrans-79.4159.1172.2-65.8-85.4000110.8Y51 H52 T106 T125 A129Y51-Y127 HydrophobicContact CD1-CD2 4.18Å; Y51-Y127 AromaticContact CD1-CE2 3.93Å; Y51-Y127 HydrophobicContact CD1-CE2 3.93Å; Y51-Y127 HydrophobicContact CE1-CD2 4.06Å; Y51-Y127 AromaticContact CE1-CE2 3.8Å; Y51-Y127 HydrophobicContact CE1-CE2 3.8Å; H52-Y127 AromaticContact CE1-CE2 3.51Å; H52-Y127 AromaticContact CE1-CZ 3.48Å; H52-Y127 VanDerWaalsContact CE1-CZ 3.48Å; H52-Y127 PolarHBondContact CE1-OH 3.48Å; H52-Y127 AromaticContact ND1-CD2 3.65Å; H52-Y127 AromaticContact ND1-CE1 3.73Å; H52-Y127 AromaticContact ND1-CE2 2.99Å; H52-Y127 WeakPolarHBondContact ND1-CE2 3.32Å; H52-Y127 AromaticContact ND1-CZ 3.05Å; H52-Y127 PolarHBondContact ND1-OH 2.87Å; T106-Y127 HydrophobicContact CG2-CD1 4.01Å; T106-Y127 HydrophobicContact CG2-CE1 4.1Å; T125-Y127 HydrophobicContact CG2-CD2 4.37Å; T125-Y127 HydrophobicContact CG2-CE1 4.28Å; T125-Y127 HydrophobicContact CG2-CE2 3.79Å; Y127-A129 PolarHBondContact O-N 3.11Å
128P95.6Very high96.6Very high50 Ų5042.1 Ų42.133%0.32521%0.213SC..PPolyproline II helixtrans-53.6130.6175.5-26.836.8000111.3G104G104-P128 WeakPolarHBondContact O-CG 3.38Å
129A95.4Very high96.9Very high11 Ų1140.8 Ų40.89%0.09120%0.204CC..  trans-133.9147.8-175.900000109.3P20 V57 Y127 V131P20-A129 WeakPolarHBondContact CB-O 3.14Å; V57-A129 HydrophobicContact CB-CB 4.44Å; V57-A129 HydrophobicContact CG1-CB 3.89Å; V57-A129 HydrophobicContact CG2-CB 3.79Å; Y127-A129 PolarHBondContact O-N 3.11Å; A129-V131 VanDerWaalsContact C-N 3.34Å; A129-V131 PolarHBondContact O-N 3.07Å
130D95.9Very high97.1Very high35 Ų3537.2 Ų37.219%0.18719%0.19CC..SBendtrans-69.3-31.1-178.7-60-61.4000112.7P20 F21 Q55 L229P20-D130 WeakPolarHBondContact CA-O 3.36Å; F21-D130 PolarHBondContact N-O 2.87Å; Q55-D130 HydrophobicContact CB-CB 4.49Å; Q55-D130 WeakPolarHBondContact CB-OD2 3.45Å; Q55-D130 WeakPolarHBondContact CG-OD2 3.25Å; Q55-D130 PolarHBondContact NE2-OD2 2.77Å; Q55-D130 PolarHBondContact O-N 3.03Å; D130-L229 HydrophobicContact CB-CD2 3.51Å
131V97.7Very high97.3Very high0 Ų037.7 Ų37.70%019%0.19CC..EExtended strand (participates in β ladder)trans-134.2136.6179.4-178.20000111.1F21 I23 Q55 V56 V57 A129 L133 I225 I228 L229F21-V131 HydrophobicContact CB-CG2 4.26Å; F21-V131 WeakPolarHBondContact O-CA 3.11Å; I23-V131 HydrophobicContact CD1-CG1 4.06Å; I23-V131 HydrophobicContact CG1-CG1 4.33Å; Q55-V131 PolarHBondContact O-N 2.87Å; V56-V131 VanDerWaalsContact CA-O 3.32Å; V56-V131 WeakPolarHBondContact CA-O 3.4Å; V56-V131 HydrophobicContact CG1-CB 4.13Å; V56-V131 HydrophobicContact CG1-CG1 4.17Å; V56-V131 HydrophobicContact CG2-CB 4.1Å; V57-V131 PolarHBondContact N-O 2.79Å; V57-V131 VanDerWaalsContact N-O 3.13Å; A129-V131 VanDerWaalsContact C-N 3.34Å; A129-V131 PolarHBondContact O-N 3.07Å; V131-L133 HydrophobicContact CG1-CD2 4.43Å; V131-I225 HydrophobicContact CB-CG2 4.43Å; V131-I225 HydrophobicContact CG1-CD1 4.35Å; V131-I225 HydrophobicContact CG1-CG1 4.25Å; V131-I225 HydrophobicContact CG1-CG2 4.4Å; V131-I225 HydrophobicContact CG2-CG2 4.05Å; V131-I228 HydrophobicContact CG2-CG2 4.03Å; V131-L229 HydrophobicContact CG2-CD2 4.13Å
132V98.3Very high97.4Very high1 Ų129.7 Ų29.71%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-126.8117.4-176.6179.60000109.9P20 F21 L22 I23 V57 L59 I101P20-V132 HydrophobicContact CB-CG2 4.39Å; F21-V132 PolarHBondContact O-N 3.45Å; L22-V132 HydrophobicContact CD1-CB 4.05Å; L22-V132 HydrophobicContact CD1-CG2 4.26Å; L22-V132 HydrophobicContact CG-CB 4.11Å; L22-V132 HydrophobicContact CG-CG1 4.48Å; I23-V132 PolarHBondContact N-O 3.48Å; V57-V132 HydrophobicContact CG2-CB 4.39Å; V57-V132 HydrophobicContact CG2-CG1 4.28Å; V57-V132 HydrophobicContact CG2-CG2 3.87Å; L59-V132 HydrophobicContact CD1-CG1 3.27Å; I101-V132 HydrophobicContact CG2-CG1 4.44Å; I101-V132 HydrophobicContact CG2-CG2 3.71Å
133L98.7Very high97.6Very high0 Ų030.8 Ų30.80%016%0.161CC..EExtended strand (participates in β ladder)trans-93.6108.8174.2-55.5-176.8000109.2I23 C37 I40 V41 V56 V57 I58 L59 V131 I225I23-L133 HydrophobicContact CB-CD2 3.7Å; I23-L133 HydrophobicContact CD1-CD2 3.86Å; I23-L133 HydrophobicContact CG1-CD2 4.12Å; I23-L133 HydrophobicContact CG2-CD2 4.18Å; I23-L133 CarbonylContact O-C 3.59Å; I23-L133 WeakPolarHBondContact O-CA 3.28Å; C37-L133 HydrophobicContact CB-CD1 4.09Å; I40-L133 HydrophobicContact CB-CD1 4.37Å; I40-L133 HydrophobicContact CG2-CD1 4.11Å; V41-L133 HydrophobicContact CG2-CD1 4.1Å; V56-L133 HydrophobicContact CG1-CD1 4.47Å; V56-L133 HydrophobicContact CG1-CG 4.31Å; V57-L133 PolarHBondContact O-N 2.82Å; I58-L133 CarbonylContact C-O 3.58Å; I58-L133 WeakPolarHBondContact CA-O 3.32Å; I58-L133 HydrophobicContact CG1-CB 4.2Å; I58-L133 HydrophobicContact CG1-CD1 4.15Å; L59-L133 PolarHBondContact N-O 3.23Å; V131-L133 HydrophobicContact CG1-CD2 4.43Å; L133-I225 HydrophobicContact CD2-CD1 4.33Å
134F98.8Very high97.6Very high1 Ų133.1 Ų33.10%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-101.7111.7174.3-178.9-99.2000110.3I23 G24 V25 L59 Q61 F64 I94 L98 A139 F149I23-F134 PolarHBondContact O-N 3.46Å; G24-F134 CarbonylContact C-O 3.59Å; G24-F134 WeakPolarHBondContact CA-O 3.48Å; V25-F134 PolarHBondContact N-O 2.92Å; L59-F134 HydrophobicContact CB-CD2 3.84Å; L59-F134 CarbonylContact O-C 3.55Å; L59-F134 WeakPolarHBondContact O-CA 3.4Å; Q61-F134 HydrophobicContact CB-CE1 4.33Å; Q61-F134 HydrophobicContact CB-CE2 4.45Å; Q61-F134 HydrophobicContact CB-CZ 3.82Å; Q61-F134 HydrophobicContact CG-CZ 4.1Å; F64-F134 HydrophobicContact CE2-CE2 4.2Å; I94-F134 HydrophobicContact CG2-CE1 4.41Å; I94-F134 HydrophobicContact CG2-CE2 4.19Å; I94-F134 HydrophobicContact CG2-CZ 3.7Å; L98-F134 HydrophobicContact CD1-CD1 4.47Å; L98-F134 HydrophobicContact CD1-CD2 4.34Å; L98-F134 HydrophobicContact CD1-CE2 4.44Å; L98-F134 HydrophobicContact CD1-CG 4.35Å; L98-F134 HydrophobicContact CD2-CB 4.33Å; L98-F134 HydrophobicContact CD2-CD2 3.96Å; L98-F134 HydrophobicContact CD2-CG 4.23Å; F134-A139 HydrophobicContact CD1-CB 3.93Å; F134-A139 HydrophobicContact CE1-CB 3.87Å; F134-F149 HydrophobicContact CB-CE1 3.78Å; F134-F149 HydrophobicContact CB-CZ 4.15Å; F134-F149 HydrophobicContact CD1-CE1 4.06Å; F134-F149 AromaticContact CD1-CZ 3.52Å; F134-F149 HydrophobicContact CD1-CZ 3.52Å; F134-F149 HydrophobicContact CE1-CZ 4.29Å; F134-F149 HydrophobicContact CG-CE1 4.24Å; F134-F149 HydrophobicContact CG-CZ 4.14Å
135E98.7Very high97.7Very high10 Ų1030.5 Ų30.55%0.04715%0.151CC..EExtended strand (participates in β ladder)trans-111.8139.6-17672.684.8-158.300112.9V25 K33 S34 I58 L59 S60 Q61V25-E135 HydrophobicContact CB-CB 4.01Å; V25-E135 VanDerWaalsContact O-CA 3.25Å; V25-E135 WeakPolarHBondContact O-CA 3.41Å; K33-E135 HydrophobicContact CB-CB 4.46Å; S34-E135 PolarHBondContact OG-OE1 3.42Å; S34-E135 PolarHBondContact OG-OE2 3.39Å; S34-E135 VanDerWaalsContact OG-OE2 3.08Å; I58-E135 HydrophobicContact CG2-CG 4.24Å; L59-E135 PolarHBondContact O-N 3.05Å; S60-E135 CarbonylContact C-O 3.59Å; S60-E135 WeakPolarHBondContact CB-OE1 3.37Å; S60-E135 PolarHBondContact OG-OE1 3.2Å; Q61-E135 WeakPolarHBondContact CB-O 3.41Å; Q61-E135 PolarHBondContact N-O 2.83Å
136G98.6Very high97.8Very high2 Ų230.2 Ų30.22%0.02115%0.146CC..  trans-176.3161.4-178.300000113.8V25 S26 L138V25-G136 PolarHBondContact O-N 2.61Å; S26-G136 WeakPolarHBondContact CA-O 2.98Å; S26-G136 PolarHBondContact OG-O 2.67Å; G136-L138 VanDerWaalsContact C-N 3.28Å
137I98.6Very high97.9Very high14 Ų1434.4 Ų34.47%0.07217%0.169CC..THydrogen-bonded Turntrans-71.8-25.3175.851.3163.1000112.6D84 F89 C197D84-I137 HydrophobicContact CB-CD1 4.15Å; F89-I137 HydrophobicContact CE2-CD1 4.3Å; F89-I137 HydrophobicContact CZ-CD1 4Å; F89-I137 HydrophobicContact CZ-CG1 4.04Å; I137-C197 PolarHBondContact O-SG 2.86Å
138L98.6Very high98Very high8 Ų832.2 Ų32.24%0.04216%0.163CC..THydrogen-bonded Turntrans-124.726.1-177.3-63.7179000111.5Q61 P86 F89 G136 F140 Y141 F196 C197Q61-L138 PolarHBondContact NE2-O 3.35Å; P86-L138 HydrophobicContact CB-CD1 4.18Å; P86-L138 HydrophobicContact CG-CD1 3.89Å; F89-L138 HydrophobicContact CD2-CD1 4Å; F89-L138 HydrophobicContact CE2-CD1 3.73Å; F89-L138 HydrophobicContact CE2-CG 4.47Å; G136-L138 VanDerWaalsContact C-N 3.28Å; L138-F140 PolarHBondContact O-N 2.99Å; L138-F140 VanDerWaalsContact O-N 3.12Å; L138-Y141 HydrophobicContact CD2-CD2 4.47Å; L138-Y141 WeakPolarHBondContact O-CB 3.37Å; L138-Y141 PolarHBondContact O-N 3.43Å; L138-Y141 VanDerWaalsContact O-N 3.08Å; L138-F196 HydrophobicContact CD2-CB 3.6Å; L138-C197 HydrophobicContact CD2-CB 4.26Å
139A98.6Very high98.2Very high1 Ų130.3 Ų30.31%0.00815%0.149CC..THydrogen-bonded Turntrans-57.3-29.8-177.800000113.1F134 F149F134-A139 HydrophobicContact CD1-CB 3.93Å; F134-A139 HydrophobicContact CE1-CB 3.87Å; A139-F149 WeakPolarHBondContact O-CE2 3.41Å
140F98.7Very high98.3Very high0 Ų033.7 Ų33.70%016%0.163CC..THydrogen-bonded Turntrans-103.68.6-179.2-56.8-26.9000114.1G24 L138 R146 F149 K152 L153 T200 Y203G24-F140 WeakPolarHBondContact O-CZ 3.42Å; L138-F140 PolarHBondContact O-N 2.99Å; L138-F140 VanDerWaalsContact O-N 3.12Å; F140-R146 PolarHBondContact O-NH1 3.46Å; F140-F149 HydrophobicContact CD1-CD2 4.02Å; F140-F149 HydrophobicContact CD1-CE2 4.05Å; F140-F149 AromaticContact CE1-CD2 3.94Å; F140-F149 HydrophobicContact CE1-CD2 3.94Å; F140-F149 HydrophobicContact CE1-CE2 4.16Å; F140-K152 HydrophobicContact CD1-CG 4.33Å; F140-K152 HydrophobicContact CE1-CB 3.83Å; F140-K152 HydrophobicContact CE1-CG 3.78Å; F140-K152 HydrophobicContact CE2-CB 4.11Å; F140-K152 HydrophobicContact CZ-CB 3.57Å; F140-K152 HydrophobicContact CZ-CG 4.08Å; F140-L153 WeakPolarHBondContact CE2-O 3.36Å; F140-L153 VanDerWaalsContact CZ-O 3.26Å; F140-L153 WeakPolarHBondContact CZ-O 3.46Å; F140-T200 HydrophobicContact CB-CG2 4.36Å; F140-Y203 HydrophobicContact CB-CD2 4.49Å
141Y98.7Very high98.4Very high99 Ų9933.5 Ų33.539%0.38816%0.162SC..THydrogen-bonded Turntrans-70.2-59.2-174.6-177.9-100.8000111.4P86 L138 R146 F196P86-Y141 HydrophobicContact CB-CD1 3.81Å; P86-Y141 HydrophobicContact CB-CE1 3.46Å; P86-Y141 VanDerWaalsContact CB-CE1 3.46Å; P86-Y141 HydrophobicContact CG-CD1 3.82Å; P86-Y141 HydrophobicContact CG-CD2 4.22Å; P86-Y141 HydrophobicContact CG-CE1 3.38Å; P86-Y141 HydrophobicContact CG-CE2 3.83Å; P86-Y141 HydrophobicContact CG-CG 4.22Å; L138-Y141 HydrophobicContact CD2-CD2 4.47Å; L138-Y141 WeakPolarHBondContact O-CB 3.37Å; L138-Y141 PolarHBondContact O-N 3.43Å; L138-Y141 VanDerWaalsContact O-N 3.08Å; Y141-R146 PolarHBondContact O-NH1 3.09Å; Y141-F196 HydrophobicContact CD2-CB 4.12Å; Y141-F196 HydrophobicContact CE2-CB 4.02Å; Y141-F196 AromaticContact CE2-CD1 3.77Å; Y141-F196 HydrophobicContact CE2-CD1 3.77Å; Y141-F196 HydrophobicContact CE2-CG 4.3Å
142S97.9Very high98.5Very high31 Ų3135.1 Ų35.122%0.21717%0.169CC..SBendtrans-69133.1174.8174.60000110.6E144 R146S142-E144 PolarHBondContact OG-N 3.46Å; S142-R146 WeakPolarHBondContact O-CB 3.44Å; S142-R146 PolarHBondContact O-N 2.96Å
143Q98.4Very high98.5Very high121 Ų12135.1 Ų35.157%0.56517%0.168SC*.Hα-helixtrans-63.6-43.4174.5-179.9167.3-2.900111.7V145 R146 D147Q143-V145 VanDerWaalsContact C-N 3.3Å; Q143-V145 PolarHBondContact O-N 3.18Å; Q143-R146 VanDerWaalsContact CB-NH2 3.3Å; Q143-R146 PolarHBondContact O-N 2.81Å; Q143-R146 VanDerWaalsContact O-N 3.14Å; Q143-D147 VanDerWaalsContact CG-OD2 3.28Å; Q143-D147 WeakPolarHBondContact CG-OD2 3.28Å; Q143-D147 PolarHBondContact NE2-OD2 3.31Å; Q143-D147 WeakPolarHBondContact O-CB 3.24Å; Q143-D147 PolarHBondContact O-N 2.93Å
144E97.8Very high98.5Very high123 Ų12335.1 Ų35.158%0.57517%0.169SC*.Hα-helixtrans-61.7-39.3-177.1-61.5177.411900112F95 S142 L148F95-E144 HydrophobicContact CD2-CB 3.9Å; F95-E144 HydrophobicContact CE2-CB 3.73Å; F95-E144 HydrophobicContact CZ-CB 4.36Å; S142-E144 PolarHBondContact OG-N 3.46Å; E144-L148 WeakPolarHBondContact O-CG 3.36Å
145V98.5Very high98.5Very high6 Ų635.1 Ų35.14%0.03617%0.169CC..Hα-helixtrans-72.9-42.6175173.90000110.9I94 F95 L98 Q143 D147 L148 F149I94-V145 HydrophobicContact CG2-CG1 4.35Å; I94-V145 HydrophobicContact CG2-CG2 4.05Å; F95-V145 HydrophobicContact CB-CG2 4.16Å; F95-V145 HydrophobicContact CD2-CG2 4.27Å; L98-V145 HydrophobicContact CD1-CG1 3.72Å; Q143-V145 VanDerWaalsContact C-N 3.3Å; Q143-V145 PolarHBondContact O-N 3.18Å; V145-D147 VanDerWaalsContact C-N 3.27Å; V145-D147 PolarHBondContact O-N 3.05Å; V145-L148 WeakPolarHBondContact O-CB 3.34Å; V145-L148 PolarHBondContact O-N 3.44Å; V145-F149 HydrophobicContact CG1-CE2 3.8Å; V145-F149 HydrophobicContact CG1-CZ 3.69Å; V145-F149 WeakPolarHBondContact O-CE2 3.35Å
146R98.6Very high98.5Very high25 Ų2537 Ų379%0.09418%0.179CC..Hα-helixtrans-60-38.2-179.3178.3176.957.3-125.44.6112.4F140 Y141 S142 Q143 L148 F149 K152 Y203F140-R146 PolarHBondContact O-NH1 3.46Å; Y141-R146 PolarHBondContact O-NH1 3.09Å; S142-R146 WeakPolarHBondContact O-CB 3.44Å; S142-R146 PolarHBondContact O-N 2.96Å; Q143-R146 VanDerWaalsContact CB-NH2 3.3Å; Q143-R146 PolarHBondContact O-N 2.81Å; Q143-R146 VanDerWaalsContact O-N 3.14Å; R146-L148 PolarHBondContact O-N 3.05Å; R146-F149 PolarHBondContact O-N 3.24Å; R146-K152 HydrophobicContact CG-CD 3.93Å; R146-Y203 VanDerWaalsContact CD-CG 3.48Å
147D98.3Very high98.4Very high106 Ų10637.8 Ų37.857%0.56718%0.183SC*.THydrogen-bonded Turntrans-74.6-11.4-176.9-64.8-8.3000112.4Q143 V145Q143-D147 VanDerWaalsContact CG-OD2 3.28Å; Q143-D147 WeakPolarHBondContact CG-OD2 3.28Å; Q143-D147 PolarHBondContact NE2-OD2 3.31Å; Q143-D147 WeakPolarHBondContact O-CB 3.24Å; Q143-D147 PolarHBondContact O-N 2.93Å; V145-D147 VanDerWaalsContact C-N 3.27Å; V145-D147 PolarHBondContact O-N 3.05Å
148L98.2Very high98.4Very high33 Ų3342.4 Ų42.417%0.17321%0.208CC..THydrogen-bonded Turntrans-77-20.1171.4-62.8178000113.4L22 F95 L98 E144 V145 R146 Q150L22-L148 HydrophobicContact CD2-CB 4.24Å; F95-L148 HydrophobicContact CD2-CD1 4.06Å; F95-L148 HydrophobicContact CE2-CD1 4.11Å; F95-L148 HydrophobicContact CE2-CG 4.48Å; L98-L148 HydrophobicContact CB-CD1 3.67Å; L98-L148 HydrophobicContact CD1-CD1 4.41Å; E144-L148 WeakPolarHBondContact O-CG 3.36Å; V145-L148 WeakPolarHBondContact O-CB 3.34Å; V145-L148 PolarHBondContact O-N 3.44Å; R146-L148 PolarHBondContact O-N 3.05Å; L148-Q150 PolarHBondContact O-NE2 2.91Å; L148-Q150 PolarHBondContact O-OE1 3.26Å
149F98.5Very high98.4Very high10 Ų1044 Ų444%0.04422%0.222CC..  trans-86.6121.4-175.2-56.3-55000112L22 L98 F134 A139 F140 V145 R146 M151 K152L22-F149 HydrophobicContact CB-CD1 4.05Å; L98-F149 HydrophobicContact CD1-CE1 4.41Å; L98-F149 HydrophobicContact CD1-CZ 4.26Å; F134-F149 HydrophobicContact CB-CE1 3.78Å; F134-F149 HydrophobicContact CB-CZ 4.15Å; F134-F149 HydrophobicContact CD1-CE1 4.06Å; F134-F149 AromaticContact CD1-CZ 3.52Å; F134-F149 HydrophobicContact CD1-CZ 3.52Å; F134-F149 HydrophobicContact CE1-CZ 4.29Å; F134-F149 HydrophobicContact CG-CE1 4.24Å; F134-F149 HydrophobicContact CG-CZ 4.14Å; A139-F149 WeakPolarHBondContact O-CE2 3.41Å; F140-F149 HydrophobicContact CD1-CD2 4.02Å; F140-F149 HydrophobicContact CD1-CE2 4.05Å; F140-F149 AromaticContact CE1-CD2 3.94Å; F140-F149 HydrophobicContact CE1-CD2 3.94Å; F140-F149 HydrophobicContact CE1-CE2 4.16Å; V145-F149 HydrophobicContact CG1-CE2 3.8Å; V145-F149 HydrophobicContact CG1-CZ 3.69Å; V145-F149 WeakPolarHBondContact O-CE2 3.35Å; R146-F149 PolarHBondContact O-N 3.24Å; F149-M151 VanDerWaalsContact C-N 3.31Å; F149-K152 HydrophobicContact CB-CG 3.82Å; F149-K152 HydrophobicContact CD2-CG 4.36Å
150Q98.2Very high98.3Very high82 Ų8249.3 Ų49.338%0.38325%0.251SS..SBendtrans-73.5-25171.3-64.877.917.900112.2F21 L22 L148F21-Q150 HydrophobicContact CD2-CB 3.85Å; F21-Q150 HydrophobicContact CD2-CG 4.14Å; F21-Q150 HydrophobicContact CE1-CB 4.16Å; F21-Q150 HydrophobicContact CE2-CB 3.37Å; F21-Q150 HydrophobicContact CE2-CG 4.04Å; F21-Q150 HydrophobicContact CG-CB 4.43Å; F21-Q150 HydrophobicContact CZ-CB 3.55Å; L22-Q150 PolarHBondContact O-N 3.36Å; L22-Q150 PolarHBondContact O-OE1 2.83Å; L148-Q150 PolarHBondContact O-NE2 2.91Å; L148-Q150 PolarHBondContact O-OE1 3.26Å
151M98.4Very high98.3Very high31 Ų3151.8 Ų51.815%0.15327%0.266CS..EExtended strand (participates in β ladder)trans-136.8134.6172.8178.1179.5-99.300111.3F21 L22 I23 G24 F149 L153 I221F21-M151 HydrophobicContact CE1-CB 3.91Å; F21-M151 HydrophobicContact CZ-CB 4.17Å; L22-M151 PolarHBondContact O-N 2.9Å; I23-M151 CarbonylContact C-O 3.56Å; I23-M151 VanDerWaalsContact CA-O 3.32Å; I23-M151 WeakPolarHBondContact CA-O 3.22Å; I23-M151 HydrophobicContact CD1-SD 4.37Å; I23-M151 HydrophobicContact CG1-CB 4.28Å; I23-M151 HydrophobicContact CG2-CB 4.22Å; I23-M151 HydrophobicContact CG2-CG 4.18Å; I23-M151 HydrophobicContact CG2-SD 4.38Å; G24-M151 PolarHBondContact N-O 3.48Å; F149-M151 VanDerWaalsContact C-N 3.31Å; M151-L153 HydrophobicContact CG-CD2 3.86Å; M151-L153 HydrophobicContact CG-CG 4.31Å; M151-L153 HydrophobicContact SD-CD2 3.84Å; M151-L153 HydrophobicContact SD-CG 4.44Å; M151-I221 HydrophobicContact CE-CD1 4.33Å; M151-I221 HydrophobicContact SD-CD1 3.99Å
152K98.8Very high98.2Very high34 Ų3447.3 Ų47.315%0.14825%0.248CC..EExtended strand (participates in β ladder)trans-120.6110.9-177.2-65.4169-62.9-52.80110.2F140 R146 F149 Y203 A204 D205 V206F140-K152 HydrophobicContact CD1-CG 4.33Å; F140-K152 HydrophobicContact CE1-CB 3.83Å; F140-K152 HydrophobicContact CE1-CG 3.78Å; F140-K152 HydrophobicContact CE2-CB 4.11Å; F140-K152 HydrophobicContact CZ-CB 3.57Å; F140-K152 HydrophobicContact CZ-CG 4.08Å; R146-K152 HydrophobicContact CG-CD 3.93Å; F149-K152 HydrophobicContact CB-CG 3.82Å; F149-K152 HydrophobicContact CD2-CG 4.36Å; K152-Y203 WeakPolarHBondContact CD-O 3.33Å; K152-Y203 WeakPolarHBondContact CE-O 3.37Å; K152-A204 CarbonylContact O-C 3.54Å; K152-D205 WeakPolarHBondContact CB-OD2 3.27Å; K152-D205 WeakPolarHBondContact CE-OD2 3.38Å; K152-D205 PolarHBondContact N-OD2 2.85Å; K152-D205 VanDerWaalsContact NZ-CG 3.32Å; K152-D205 IonicContact NZ-OD1 3.11Å; K152-D205 PolarHBondContact NZ-OD1 3.43Å; K152-D205 VanDerWaalsContact NZ-OD1 3.11Å; K152-D205 IonicContact NZ-OD2 2.76Å; K152-D205 PolarHBondContact NZ-OD2 3.23Å; K152-D205 PolarHBondContact O-N 3.32Å; K152-V206 PolarHBondContact O-N 3.13Å
153L98.8Very high98.2Very high0 Ų047.8 Ų47.80%025%0.248CC..EExtended strand (participates in β ladder)trans-102.2137.9178.5-52.1-178.5000110.4I23 G24 V25 S26 F140 M151 V206 I208 I221I23-L153 HydrophobicContact CG2-CD1 3.77Å; I23-L153 HydrophobicContact CG2-CG 3.89Å; G24-L153 PolarHBondContact O-N 3.17Å; V25-L153 CarbonylContact C-O 3.6Å; V25-L153 WeakPolarHBondContact CA-O 3.41Å; V25-L153 HydrophobicContact CG1-CB 4.45Å; V25-L153 HydrophobicContact CG2-CB 4.29Å; V25-L153 HydrophobicContact CG2-CD1 4.17Å; S26-L153 PolarHBondContact N-O 2.99Å; F140-L153 WeakPolarHBondContact CE2-O 3.36Å; F140-L153 VanDerWaalsContact CZ-O 3.26Å; F140-L153 WeakPolarHBondContact CZ-O 3.46Å; M151-L153 HydrophobicContact CG-CD2 3.86Å; M151-L153 HydrophobicContact CG-CG 4.31Å; M151-L153 HydrophobicContact SD-CD2 3.84Å; M151-L153 HydrophobicContact SD-CG 4.44Å; L153-V206 WeakPolarHBondContact CA-O 3.44Å; L153-V206 HydrophobicContact CD2-CB 3.76Å; L153-V206 HydrophobicContact CD2-CG1 4.42Å; L153-V206 HydrophobicContact CD2-CG2 4.31Å; L153-I208 HydrophobicContact CB-CD1 4.4Å; L153-I208 HydrophobicContact CD1-CD1 4.12Å; L153-I221 HydrophobicContact CD1-CD1 4.16Å; L153-I221 HydrophobicContact CD1-CG1 4.16Å; L153-I221 HydrophobicContact CD1-CG2 4.29Å; L153-I221 HydrophobicContact CD2-CD1 3.9Å
154F98.8Very high98.2Very high1 Ų145.4 Ų45.40%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-121.6117.2170.8-166.9-79.8000110.8S26 D156 K201 A204 V206 I207 I208S26-F154 CarbonylContact O-C 3.58Å; S26-F154 WeakPolarHBondContact O-CA 3.45Å; F154-D156 HydrophobicContact CD1-CB 4.24Å; F154-D156 HydrophobicContact CE1-CB 4.48Å; F154-D156 PolarHBondContact O-N 3.09Å; F154-K201 HydrophobicContact CD1-CB 4.45Å; F154-K201 HydrophobicContact CD1-CD 4.12Å; F154-K201 HydrophobicContact CD1-CG 3.9Å; F154-K201 HydrophobicContact CD2-CB 4.07Å; F154-K201 HydrophobicContact CD2-CG 4.27Å; F154-K201 HydrophobicContact CE1-CB 4.3Å; F154-K201 HydrophobicContact CE1-CD 3.92Å; F154-K201 HydrophobicContact CE1-CG 4.03Å; F154-K201 HydrophobicContact CE2-CB 3.92Å; F154-K201 HydrophobicContact CE2-CG 4.4Å; F154-K201 HydrophobicContact CG-CB 4.34Å; F154-K201 HydrophobicContact CG-CG 4.02Å; F154-K201 HydrophobicContact CZ-CB 4.03Å; F154-K201 HydrophobicContact CZ-CD 4.36Å; F154-K201 HydrophobicContact CZ-CG 4.28Å; F154-A204 HydrophobicContact CB-CB 3.6Å; F154-V206 PolarHBondContact N-O 3.12Å; F154-I207 CarbonylContact O-C 3.59Å; F154-I207 WeakPolarHBondContact O-CA 3.38Å; F154-I208 PolarHBondContact O-N 3.42Å
155V98.7Very high98.2Very high1 Ų143.9 Ų43.91%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-84.6107.6177.4-1760000109.6V25 S26 S31 K33 V36 I208V25-V155 HydrophobicContact CG1-CG2 4Å; S26-V155 PolarHBondContact O-N 3.45Å; S31-V155 WeakPolarHBondContact CB-O 3.28Å; S31-V155 WeakPolarHBondContact O-CG1 3.46Å; S31-V155 PolarHBondContact OG-O 3.37Å; K33-V155 HydrophobicContact CG-CB 4.18Å; K33-V155 HydrophobicContact CG-CG2 4.27Å; V36-V155 HydrophobicContact CG2-CG2 4.3Å; V155-I208 WeakPolarHBondContact CA-O 3.39Å; V155-I208 HydrophobicContact CG2-CB 4.5Å
156D98.4Very high98.1Very high50 Ų5044 Ų4427%0.26723%0.234SC..EExtended strand (participates in β ladder)trans-99.7124.1-172.9-16339.2000110.9F154 K201 I207 I208 P209 R210F154-D156 HydrophobicContact CD1-CB 4.24Å; F154-D156 HydrophobicContact CE1-CB 4.48Å; F154-D156 PolarHBondContact O-N 3.09Å; D156-K201 IonicContact OD1-NZ 2.64Å; D156-K201 PolarHBondContact OD1-NZ 3.17Å; D156-K201 IonicContact OD2-NZ 2.88Å; D156-K201 PolarHBondContact OD2-NZ 3.36Å; D156-I207 HydrophobicContact CB-CG2 3.62Å; D156-I208 PolarHBondContact N-O 3.11Å; D156-P209 WeakPolarHBondContact O-CA 3.32Å; D156-R210 PolarHBondContact O-N 3.07Å
157T98Very high98Very high17 Ų1743.9 Ų43.910%0.10424%0.236CC..  trans-152.8138.2-178.9-58.70000108.6S31 T161 R162S31-T157 PolarHBondContact O-OG1 3.41Å; S31-T157 VanDerWaalsContact O-OG1 3.12Å; T157-T161 HydrophobicContact CG2-CG2 3.68Å; T157-R162 HydrophobicContact CG2-CG 3.88Å; T157-R162 WeakPolarHBondContact O-CD 3.12Å; T157-R162 PolarHBondContact O-NE 3Å
158D97.8Very high97.9Very high112 Ų11244.4 Ų44.460%0.59924%0.238SC*.  trans-58147.7-176.3-59.3-35.5000112.4D160 T161 R162D158-D160 VanDerWaalsContact C-N 3.35Å; D158-D160 VanDerWaalsContact CB-OD1 3.22Å; D158-D160 WeakPolarHBondContact CB-OD1 3.48Å; D158-D160 PolarHBondContact O-N 2.97Å; D158-T161 PolarHBondContact O-N 3.28Å; D158-R162 WeakPolarHBondContact O-CG 2.99Å; D158-R162 PolarHBondContact O-N 3.16Å
159A97.7Very high97.8Very high41 Ų4145.3 Ų45.334%0.33924%0.239SC..Hα-helixtrans-65.8-35.6-17000000113.7R162 L163 Y185A159-R162 VanDerWaalsContact CA-NH2 3.34Å; A159-R162 VanDerWaalsContact CB-NH2 3.34Å; A159-L163 WeakPolarHBondContact O-CB 3.48Å; A159-L163 PolarHBondContact O-N 2.96Å; A159-Y185 PolarHBondContact O-OH 2.91Å
160D97.6Very high97.6Very high112 Ų11244.8 Ų44.860%0.59924%0.237SC*.Hα-helixtrans-67.2-43.9175.254-3.1000112.1D158 R162 L163 S164D158-D160 VanDerWaalsContact C-N 3.35Å; D158-D160 VanDerWaalsContact CB-OD1 3.22Å; D158-D160 WeakPolarHBondContact CB-OD1 3.48Å; D158-D160 PolarHBondContact O-N 2.97Å; D160-R162 VanDerWaalsContact C-N 3.34Å; D160-R162 PolarHBondContact O-N 3.11Å; D160-L163 PolarHBondContact O-N 3.15Å; D160-S164 PolarHBondContact O-N 2.97Å
161T97.6Very high97.4Very high52 Ų5244.7 Ų44.732%0.31924%0.238SC..Hα-helixtrans-61.6-44.5175-62.60000110.4T157 D158 S164 R165T157-T161 HydrophobicContact CG2-CG2 3.68Å; D158-T161 PolarHBondContact O-N 3.28Å; T161-S164 PolarHBondContact O-N 3.42Å; T161-R165 WeakPolarHBondContact O-CG 3.31Å; T161-R165 PolarHBondContact O-N 3.33Å; T161-R165 VanDerWaalsContact O-N 3.11Å
162R98Very high97.3Very high5 Ų547.5 Ų47.52%0.01926%0.261CS..Hα-helixtrans-63.2-43.2174.6-73.1-174.3-63.499.6-9.9112.2T29 A30 T157 D158 A159 D160 R165 R166 F193T29-R162 WeakPolarHBondContact O-CB 3.1Å; T29-R162 WeakPolarHBondContact O-CD 3.3Å; T29-R162 WeakPolarHBondContact O-CG 3.05Å; A30-R162 WeakPolarHBondContact CB-O 3.34Å; T157-R162 HydrophobicContact CG2-CG 3.88Å; T157-R162 WeakPolarHBondContact O-CD 3.12Å; T157-R162 PolarHBondContact O-NE 3Å; D158-R162 WeakPolarHBondContact O-CG 2.99Å; D158-R162 PolarHBondContact O-N 3.16Å; A159-R162 VanDerWaalsContact CA-NH2 3.34Å; A159-R162 VanDerWaalsContact CB-NH2 3.34Å; D160-R162 VanDerWaalsContact C-N 3.34Å; D160-R162 PolarHBondContact O-N 3.11Å; R162-R165 PolarHBondContact O-N 3.04Å; R162-R166 VanDerWaalsContact O-CB 3.32Å; R162-R166 WeakPolarHBondContact O-CB 3.24Å; R162-R166 PolarHBondContact O-N 2.83Å; R162-F193 VanDerWaalsContact NH2-CE1 3.32Å
163L97.9Very high97Very high41 Ų4152.4 Ų52.422%0.21528%0.284CS..Hα-helixtrans-60.9-48.2177.5175.957.9000111A159 D160 R165 R166 V167 L182 Y185A159-L163 WeakPolarHBondContact O-CB 3.48Å; A159-L163 PolarHBondContact O-N 2.96Å; D160-L163 PolarHBondContact O-N 3.15Å; L163-R165 PolarHBondContact O-N 3.17Å; L163-R166 PolarHBondContact O-N 3.48Å; L163-R166 VanDerWaalsContact O-N 3.13Å; L163-V167 HydrophobicContact CD1-CG2 3.94Å; L163-V167 HydrophobicContact CG-CG2 4.42Å; L163-V167 WeakPolarHBondContact O-CG2 3.44Å; L163-V167 PolarHBondContact O-N 2.81Å; L163-L182 HydrophobicContact CD1-CD2 4.26Å; L163-Y185 HydrophobicContact CB-CE1 4.33Å; L163-Y185 HydrophobicContact CB-CE2 4.34Å; L163-Y185 HydrophobicContact CD1-CD1 3.71Å; L163-Y185 HydrophobicContact CD1-CD2 3.7Å; L163-Y185 HydrophobicContact CD1-CE1 3.96Å; L163-Y185 HydrophobicContact CD1-CE2 3.95Å; L163-Y185 HydrophobicContact CD1-CG 3.57Å; L163-Y185 HydrophobicContact CD2-CD1 4.06Å; L163-Y185 HydrophobicContact CD2-CE1 3.87Å; L163-Y185 HydrophobicContact CG-CD1 4.43Å; L163-Y185 HydrophobicContact CG-CE1 4.28Å
164S97.5Very high96.6Very high72 Ų7254.4 Ų54.450%0.50329%0.292SS..Hα-helixtrans-55.3-49.5177.1177.70000111.8D160 T161 R166 V167 L168D160-S164 PolarHBondContact O-N 2.97Å; T161-S164 PolarHBondContact O-N 3.42Å; S164-R166 PolarHBondContact O-N 3.24Å; S164-V167 PolarHBondContact O-N 2.85Å; S164-L168 WeakPolarHBondContact O-CG 3.17Å; S164-L168 PolarHBondContact O-N 3.26Å
165R97.5Very high96.1Very high91 Ų9157.8 Ų57.834%0.34333%0.327SS..Hα-helixtrans-61-41.4175.8-69.6171179.1-178-3.5112.6A30 T161 R162 L163 R169 D213A30-R165 HydrophobicContact CB-CB 3.87Å; A30-R165 WeakPolarHBondContact O-CD 3.38Å; T161-R165 WeakPolarHBondContact O-CG 3.31Å; T161-R165 PolarHBondContact O-N 3.33Å; T161-R165 VanDerWaalsContact O-N 3.11Å; R162-R165 PolarHBondContact O-N 3.04Å; L163-R165 PolarHBondContact O-N 3.17Å; R165-R169 WeakPolarHBondContact O-CB 3.34Å; R165-R169 PolarHBondContact O-N 2.93Å; R165-D213 IonicContact NH2-OD2 3.9Å
166R96.8Very high95.6Very high9 Ų959.1 Ų59.13%0.03433%0.332CS..Hα-helixtrans-64.5-44.2178.6174.4167.7-178.8161.7-8.4111.9A30 D84 R162 L163 S164 R169 D170 V189A30-R166 HydrophobicContact CB-CB 4.05Å; D84-R166 IonicContact OD1-NH1 3.68Å; R162-R166 VanDerWaalsContact O-CB 3.32Å; R162-R166 WeakPolarHBondContact O-CB 3.24Å; R162-R166 PolarHBondContact O-N 2.83Å; L163-R166 PolarHBondContact O-N 3.48Å; L163-R166 VanDerWaalsContact O-N 3.13Å; S164-R166 PolarHBondContact O-N 3.24Å; R166-R169 PolarHBondContact O-N 3.22Å; R166-D170 WeakPolarHBondContact CG-OD2 3.49Å; R166-D170 IonicContact NE-OD2 3.82Å; R166-D170 PolarHBondContact NE-OD2 3.45Å; R166-D170 WeakPolarHBondContact O-CB 3.35Å; R166-D170 PolarHBondContact O-N 3.49Å; R166-V189 VanDerWaalsContact NH2-CG2 3.29Å
167V97.3Very high95.3Very high22 Ų2261.1 Ų61.113%0.13334%0.343CS..Hα-helixtrans-59.5-50.2178.5169.40000110.2L163 S164 R169 D170 I171 L178 I181 L182L163-V167 HydrophobicContact CD1-CG2 3.94Å; L163-V167 HydrophobicContact CG-CG2 4.42Å; L163-V167 WeakPolarHBondContact O-CG2 3.44Å; L163-V167 PolarHBondContact O-N 2.81Å; S164-V167 PolarHBondContact O-N 2.85Å; V167-R169 PolarHBondContact O-N 3.46Å; V167-D170 PolarHBondContact O-N 3.36Å; V167-I171 HydrophobicContact CG1-CD1 3.84Å; V167-I171 VanDerWaalsContact O-CG1 3.32Å; V167-I171 WeakPolarHBondContact O-CG1 3.18Å; V167-I171 PolarHBondContact O-N 3.36Å; V167-I171 VanDerWaalsContact O-N 3.12Å; V167-L178 HydrophobicContact CG1-CD1 3.58Å; V167-I181 HydrophobicContact CG2-CG2 3.93Å; V167-L182 HydrophobicContact CG2-CD2 4.05Å
168L96.4Very high95.1Very high117 Ų11764.2 Ų64.261%0.61336%0.358SS*.Hα-helixtrans-58-48.8178.6-67.8173.8000111.6S164 S172S164-L168 WeakPolarHBondContact O-CG 3.17Å; S164-L168 PolarHBondContact O-N 3.26Å; L168-S172 WeakPolarHBondContact O-CB 3.33Å; L168-S172 PolarHBondContact O-N 3.24Å; L168-S172 PolarHBondContact O-OG 2.7Å
169R95.6Very high95Very high51 Ų5166.4 Ų66.419%0.19237%0.365CS..Hα-helixtrans-61.7-49.2179.1-175.3-160.463.7-161-5112.7R165 R166 V167 I171 S172 E173R165-R169 WeakPolarHBondContact O-CB 3.34Å; R165-R169 PolarHBondContact O-N 2.93Å; R166-R169 PolarHBondContact O-N 3.22Å; V167-R169 PolarHBondContact O-N 3.46Å; R169-I171 VanDerWaalsContact C-N 3.27Å; R169-I171 PolarHBondContact O-N 3.16Å; R169-S172 PolarHBondContact O-N 3.24Å; R169-S172 PolarHBondContact O-OG 3.3Å; R169-E173 HydrophobicContact CG-CG 4.42Å; R169-E173 VanDerWaalsContact CG-OE2 3.27Å; R169-E173 WeakPolarHBondContact CG-OE2 3.37Å; R169-E173 WeakPolarHBondContact O-CB 3.38Å; R169-E173 PolarHBondContact O-N 2.93Å
170D93.9Very high94.7Very high0 Ų067.1 Ų67.10%036%0.361CS..Hα-helixtrans-68.8-29-173.7-72.41.3000111.4R166 V167 R174 G175 R176 I181R166-D170 WeakPolarHBondContact CG-OD2 3.49Å; R166-D170 IonicContact NE-OD2 3.82Å; R166-D170 PolarHBondContact NE-OD2 3.45Å; R166-D170 WeakPolarHBondContact O-CB 3.35Å; R166-D170 PolarHBondContact O-N 3.49Å; V167-D170 PolarHBondContact O-N 3.36Å; D170-R174 CarbonylContact O-C 3.47Å; D170-R174 WeakPolarHBondContact O-CB 3.29Å; D170-R174 PolarHBondContact O-N 3.13Å; D170-R174 WeakPolarHBondContact OD1-CD 3.33Å; D170-R174 IonicContact OD1-CZ 3.15Å; D170-R174 IonicContact OD1-NE 3.81Å; D170-R174 IonicContact OD1-NH1 3.78Å; D170-R174 PolarHBondContact OD1-NH1 3.14Å; D170-G175 PolarHBondContact O-N 3.15Å; D170-R176 PolarHBondContact O-N 2.87Å; D170-R176 VanDerWaalsContact O-N 3.15Å; D170-I181 HydrophobicContact CB-CD1 3.64Å; D170-I181 HydrophobicContact CB-CG1 3.94Å
171I94.3Very high94.5Very high80 Ų8061.9 Ų61.941%0.4133%0.333SS..Hα-helixtrans-71.4-53.4170.4-66.2171.4000110.5V167 R169 L178 I181V167-I171 HydrophobicContact CG1-CD1 3.84Å; V167-I171 VanDerWaalsContact O-CG1 3.32Å; V167-I171 WeakPolarHBondContact O-CG1 3.18Å; V167-I171 PolarHBondContact O-N 3.36Å; V167-I171 VanDerWaalsContact O-N 3.12Å; R169-I171 VanDerWaalsContact C-N 3.27Å; R169-I171 PolarHBondContact O-N 3.16Å; I171-L178 HydrophobicContact CD1-CD1 4.44Å; I171-I181 HydrophobicContact CD1-CD1 4.45Å; I171-I181 HydrophobicContact CG1-CD1 3.64Å
172S95.3Very high94.4Very high90 Ų9062.7 Ų62.763%0.62934%0.335SS*.Hα-helixtrans-74.3-34.3-170.162.90000114.3L168 R169L168-S172 WeakPolarHBondContact O-CB 3.33Å; L168-S172 PolarHBondContact O-N 3.24Å; L168-S172 PolarHBondContact O-OG 2.7Å; R169-S172 PolarHBondContact O-N 3.24Å; R169-S172 PolarHBondContact O-OG 3.3Å
173E92.3Very high94.3Very high137 Ų13766 Ų6664%0.6436%0.359SS*.Hα-helixtrans-109.3-24-171-63.3170.8-159.200113.3R169R169-E173 HydrophobicContact CG-CG 4.42Å; R169-E173 VanDerWaalsContact CG-OE2 3.27Å; R169-E173 WeakPolarHBondContact CG-OE2 3.37Å; R169-E173 WeakPolarHBondContact O-CB 3.38Å; R169-E173 PolarHBondContact O-N 2.93Å
174R90.4Very high94.2Very high41 Ų4164.2 Ų64.216%0.15535%0.35CS..Hα-helixtrans-117.7-2.3-172.9-55.9179.5177-173.3-11.8113.9D170 R176D170-R174 CarbonylContact O-C 3.47Å; D170-R174 WeakPolarHBondContact O-CB 3.29Å; D170-R174 PolarHBondContact O-N 3.13Å; D170-R174 WeakPolarHBondContact OD1-CD 3.33Å; D170-R174 IonicContact OD1-CZ 3.15Å; D170-R174 IonicContact OD1-NE 3.81Å; D170-R174 IonicContact OD1-NH1 3.78Å; D170-R174 PolarHBondContact OD1-NH1 3.14Å; R174-R176 VanDerWaalsContact C-N 3.32Å; R174-R176 HydrophobicContact CB-CG 4.24Å; R174-R176 PolarHBondContact O-N 2.6Å
175G89Confident94.1Very high73 Ų7361.2 Ų61.275%0.75333%0.327SS*.  trans62.832.9175.500000114.3D170D170-G175 PolarHBondContact O-N 3.15Å
176R88.3Confident94.1Very high29 Ų2962.1 Ų62.111%0.10934%0.338CS..  trans-95.5148.8-178.4-61.5-160-176.1173.58.6112.6F114 H117 D170 R174 I181F114-R176 PolarHBondContact O-NH2 3.35Å; H117-R176 PolarHBondContact CE1-NH2 2.88Å; D170-R176 PolarHBondContact O-N 2.87Å; D170-R176 VanDerWaalsContact O-N 3.15Å; R174-R176 VanDerWaalsContact C-N 3.32Å; R174-R176 HydrophobicContact CB-CG 4.24Å; R174-R176 PolarHBondContact O-N 2.6Å; R176-I181 HydrophobicContact CB-CD1 3.88Å; R176-I181 HydrophobicContact CB-CG1 3.78Å
177D92Very high94.2Very high92 Ų9265.3 Ų65.349%0.49236%0.358SS..  trans-75.2145.9176177.669.7000112.4E179 Q180 I181D177-E179 PolarHBondContact O-N 2.84Å; D177-E179 WeakPolarHBondContact OD2-CB 3.34Å; D177-E179 PolarHBondContact OD2-N 3.08Å; D177-Q180 HydrophobicContact CB-CB 4.19Å; D177-Q180 PolarHBondContact O-N 3.43Å; D177-Q180 PolarHBondContact OD2-N 3.37Å; D177-I181 WeakPolarHBondContact O-CD1 3.16Å; D177-I181 WeakPolarHBondContact O-CG1 3.45Å; D177-I181 PolarHBondContact O-N 3.08Å
178L94.9Very high94.2Very high82 Ų8266.4 Ų66.443%0.42936%0.361SS..Hα-helixtrans-60.3-46.4-177.6176.462.4000112.3V167 I171 Q180 I181 L182V167-L178 HydrophobicContact CG1-CD1 3.58Å; I171-L178 HydrophobicContact CD1-CD1 4.44Å; L178-Q180 VanDerWaalsContact C-N 3.31Å; L178-Q180 PolarHBondContact O-N 3.4Å; L178-I181 PolarHBondContact O-N 2.89Å; L178-L182 HydrophobicContact CD1-CD1 4.04Å; L178-L182 HydrophobicContact CD1-CG 4.09Å; L178-L182 HydrophobicContact CG-CD1 4.19Å; L178-L182 WeakPolarHBondContact O-CG 3.4Å; L178-L182 PolarHBondContact O-N 3.41Å
179E94.8Very high94.2Very high157 Ų15760.8 Ų60.873%0.73433%0.332SS*.Hα-helixtrans-64.9-40.8-178.7-61.3-173.2176.300110.4D177 L182 S183D177-E179 PolarHBondContact O-N 2.84Å; D177-E179 WeakPolarHBondContact OD2-CB 3.34Å; D177-E179 PolarHBondContact OD2-N 3.08Å; E179-L182 PolarHBondContact O-N 3.48Å; E179-S183 WeakPolarHBondContact O-CB 3.29Å; E179-S183 PolarHBondContact O-N 3.41Å
180Q91.7Very high94.4Very high57 Ų5762.2 Ų62.227%0.26634%0.34SS..Hα-helixtrans-62.2-43.8175.5-170.8-17912.100111.9L77 D177 L178 Q184L77-Q180 PolarHBondContact O-NE2 3.14Å; L77-Q180 VanDerWaalsContact O-NE2 3.1Å; D177-Q180 HydrophobicContact CB-CB 4.19Å; D177-Q180 PolarHBondContact O-N 3.43Å; D177-Q180 PolarHBondContact OD2-N 3.37Å; L178-Q180 VanDerWaalsContact C-N 3.31Å; L178-Q180 PolarHBondContact O-N 3.4Å; Q180-Q184 VanDerWaalsContact O-CB 3.29Å; Q180-Q184 WeakPolarHBondContact O-CB 3.31Å; Q180-Q184 PolarHBondContact O-N 3.47Å
181I93.4Very high94.6Very high1 Ų164.8 Ų64.81%0.00536%0.356CS..Hα-helixtrans-61-48.8177.8-68.4159.7000110.6V167 D170 I171 R176 D177 L178 Q184 Y185V167-I181 HydrophobicContact CG2-CG2 3.93Å; D170-I181 HydrophobicContact CB-CD1 3.64Å; D170-I181 HydrophobicContact CB-CG1 3.94Å; I171-I181 HydrophobicContact CD1-CD1 4.45Å; I171-I181 HydrophobicContact CG1-CD1 3.64Å; R176-I181 HydrophobicContact CB-CD1 3.88Å; R176-I181 HydrophobicContact CB-CG1 3.78Å; D177-I181 WeakPolarHBondContact O-CD1 3.16Å; D177-I181 WeakPolarHBondContact O-CG1 3.45Å; D177-I181 PolarHBondContact O-N 3.08Å; L178-I181 PolarHBondContact O-N 2.89Å; I181-Q184 PolarHBondContact O-N 2.95Å; I181-Y185 WeakPolarHBondContact O-CB 3.36Å; I181-Y185 PolarHBondContact O-N 3.49Å
182L95.9Very high94.8Very high70 Ų7061.1 Ų61.137%0.36634%0.338SS..Hα-helixtrans-66.1-43.2-178.5-66.3179.6000111.6L163 V167 L178 E179 Y185 I186L163-L182 HydrophobicContact CD1-CD2 4.26Å; V167-L182 HydrophobicContact CG2-CD2 4.05Å; L178-L182 HydrophobicContact CD1-CD1 4.04Å; L178-L182 HydrophobicContact CD1-CG 4.09Å; L178-L182 HydrophobicContact CG-CD1 4.19Å; L178-L182 WeakPolarHBondContact O-CG 3.4Å; L178-L182 PolarHBondContact O-N 3.41Å; E179-L182 PolarHBondContact O-N 3.48Å; L182-Y185 PolarHBondContact O-N 3.11Å; L182-I186 WeakPolarHBondContact O-CG1 3.1Å; L182-I186 PolarHBondContact O-N 3.24Å
183S95.5Very high94.9Very high74 Ų7458.1 Ų58.152%0.51731%0.314SS..Hα-helixtrans-60.2-47.8176.1-178.80000111.6E179 Y185 I186 T187E179-S183 WeakPolarHBondContact O-CB 3.29Å; E179-S183 PolarHBondContact O-N 3.41Å; S183-Y185 VanDerWaalsContact C-N 3.3Å; S183-Y185 PolarHBondContact O-N 3.32Å; S183-I186 PolarHBondContact O-N 2.88Å; S183-T187 VanDerWaalsContact O-CB 3.23Å; S183-T187 WeakPolarHBondContact O-CB 3.19Å; S183-T187 PolarHBondContact O-N 2.91Å; S183-T187 PolarHBondContact O-OG1 2.94Å
184Q94.9Very high95.2Very high3 Ų356 Ų561%0.01430%0.303CS..Hα-helixtrans-62.1-39175.8-171.8177.318.200111.6Q180 I181 F188 V189Q180-Q184 VanDerWaalsContact O-CB 3.29Å; Q180-Q184 WeakPolarHBondContact O-CB 3.31Å; Q180-Q184 PolarHBondContact O-N 3.47Å; I181-Q184 PolarHBondContact O-N 2.95Å; Q184-F188 HydrophobicContact CG-CD2 4.13Å; Q184-F188 PolarHBondContact O-N 2.73Å; Q184-V189 PolarHBondContact O-N 2.86Å
185Y97Very high95.6Very high10 Ų1060.1 Ų60.14%0.03932%0.324CS..Iπ-helixtrans-63.5-49.7179.8-177.1-94.6000112.6A159 L163 I181 L182 S183 V189 K190A159-Y185 PolarHBondContact O-OH 2.91Å; L163-Y185 HydrophobicContact CB-CE1 4.33Å; L163-Y185 HydrophobicContact CB-CE2 4.34Å; L163-Y185 HydrophobicContact CD1-CD1 3.71Å; L163-Y185 HydrophobicContact CD1-CD2 3.7Å; L163-Y185 HydrophobicContact CD1-CE1 3.96Å; L163-Y185 HydrophobicContact CD1-CE2 3.95Å; L163-Y185 HydrophobicContact CD1-CG 3.57Å; L163-Y185 HydrophobicContact CD2-CD1 4.06Å; L163-Y185 HydrophobicContact CD2-CE1 3.87Å; L163-Y185 HydrophobicContact CG-CD1 4.43Å; L163-Y185 HydrophobicContact CG-CE1 4.28Å; I181-Y185 WeakPolarHBondContact O-CB 3.36Å; I181-Y185 PolarHBondContact O-N 3.49Å; L182-Y185 PolarHBondContact O-N 3.11Å; S183-Y185 VanDerWaalsContact C-N 3.3Å; S183-Y185 PolarHBondContact O-N 3.32Å; Y185-V189 HydrophobicContact CD2-CB 3.65Å; Y185-V189 HydrophobicContact CD2-CG1 3.57Å; Y185-V189 HydrophobicContact CD2-CG2 4.17Å; Y185-V189 HydrophobicContact CE2-CB 4.18Å; Y185-V189 HydrophobicContact CE2-CG1 3.69Å; Y185-V189 HydrophobicContact CG-CB 4.23Å; Y185-V189 PolarHBondContact O-N 3.25Å; Y185-K190 HydrophobicContact CD1-CB 4.37Å; Y185-K190 HydrophobicContact CE1-CB 3.98Å; Y185-K190 PolarHBondContact O-N 3.43Å
186I97.2Very high96Very high110 Ų11057.5 Ų57.556%0.56429%0.293SS*.Iπ-helixtrans-68-39.6-179.3-64.5-62.9000111.1L182 S183 P191L182-I186 WeakPolarHBondContact O-CG1 3.1Å; L182-I186 PolarHBondContact O-N 3.24Å; S183-I186 PolarHBondContact O-N 2.88Å; I186-P191 WeakPolarHBondContact O-CD 3.48Å
187T97.4Very high96.5Very high75 Ų7556.3 Ų56.346%0.4629%0.288SS..Iπ-helixtrans-76.1-39.7-175.1-52.50000112.7S183S183-T187 VanDerWaalsContact O-CB 3.23Å; S183-T187 WeakPolarHBondContact O-CB 3.19Å; S183-T187 PolarHBondContact O-N 2.91Å; S183-T187 PolarHBondContact O-OG1 2.94Å
188F97.7Very high96.8Very high45 Ų4555.2 Ų55.220%0.19728%0.282CS..Iπ-helixtrans-122.9-52.1-169.6-61-61.5000113.5G79 N82 Q184 A192G79-F188 WeakPolarHBondContact O-CE2 3.33Å; N82-F188 HydrophobicContact CB-CB 4.26Å; N82-F188 HydrophobicContact CB-CD1 3.59Å; N82-F188 HydrophobicContact CB-CE1 4.17Å; N82-F188 HydrophobicContact CB-CG 4.04Å; Q184-F188 HydrophobicContact CG-CD2 4.13Å; Q184-F188 PolarHBondContact O-N 2.73Å; F188-A192 WeakPolarHBondContact O-CB 3.39Å; F188-A192 PolarHBondContact O-N 2.85Å
189V97.6Very high97Very high0 Ų054.2 Ų54.20%028%0.281CS..Iπ-helixtrans-66.5-49.5-168.3-178.70000111.9T29 D84 R166 Q184 Y185 F193T29-V189 HydrophobicContact CG2-CG1 3.77Å; D84-V189 WeakPolarHBondContact OD2-CG2 3.46Å; R166-V189 VanDerWaalsContact NH2-CG2 3.29Å; Q184-V189 PolarHBondContact O-N 2.86Å; Y185-V189 HydrophobicContact CD2-CB 3.65Å; Y185-V189 HydrophobicContact CD2-CG1 3.57Å; Y185-V189 HydrophobicContact CD2-CG2 4.17Å; Y185-V189 HydrophobicContact CE2-CB 4.18Å; Y185-V189 HydrophobicContact CE2-CG1 3.69Å; Y185-V189 HydrophobicContact CG-CB 4.23Å; Y185-V189 PolarHBondContact O-N 3.25Å; V189-F193 VanDerWaalsContact O-CB 3.24Å; V189-F193 WeakPolarHBondContact O-CB 3.44Å; V189-F193 PolarHBondContact O-N 3.19Å
190K98.2Very high97.2Very high81 Ų8147 Ų4735%0.35225%0.247SC..Hα-helixtrans-64.2-51.4-178.2168.4-179.6168.365.20110.9Y185 A192 F193 E194Y185-K190 HydrophobicContact CD1-CB 4.37Å; Y185-K190 HydrophobicContact CE1-CB 3.98Å; Y185-K190 PolarHBondContact O-N 3.43Å; K190-A192 PolarHBondContact O-N 2.95Å; K190-F193 PolarHBondContact O-N 2.98Å; K190-E194 IonicContact NZ-OE1 3.63Å; K190-E194 PolarHBondContact NZ-OE1 3.34Å; K190-E194 IonicContact NZ-OE2 3.3Å; K190-E194 WeakPolarHBondContact O-CG 3.37Å; K190-E194 PolarHBondContact O-N 3.21Å
191P98.4Very high97.5Very high54 Ų5446.7 Ų46.735%0.35125%0.245SC..Hα-helixtrans-57.3-48.5174.7-27.235.9000113.2I186 F193 E194 E195I186-P191 WeakPolarHBondContact O-CD 3.48Å; P191-F193 VanDerWaalsContact C-N 3.32Å; P191-F193 PolarHBondContact O-N 3.19Å; P191-E194 PolarHBondContact O-N 3.11Å; P191-E194 VanDerWaalsContact O-N 3.13Å; P191-E195 WeakPolarHBondContact O-CB 3.47Å; P191-E195 PolarHBondContact O-N 3.48Å
192A98.4Very high97.8Very high2 Ų253.9 Ų53.92%0.01728%0.276CS..Hα-helixtrans-64.6-35.8-17900000112.7D84 F188 K190 F196 C197D84-A192 HydrophobicContact CB-CB 3.55Å; F188-A192 WeakPolarHBondContact O-CB 3.39Å; F188-A192 PolarHBondContact O-N 2.85Å; K190-A192 PolarHBondContact O-N 2.95Å; A192-F196 HydrophobicContact CB-CD2 3.93Å; A192-F196 HydrophobicContact CB-CE2 4.24Å; A192-F196 WeakPolarHBondContact O-CB 3.33Å; A192-F196 WeakPolarHBondContact O-CD2 3.37Å; A192-F196 PolarHBondContact O-N 2.98Å; A192-C197 PolarHBondContact O-N 3.05Å
193F98.6Very high97.9Very high28 Ų2854.2 Ų54.212%0.12327%0.273CS..Iπ-helixtrans-61.9-47.7172.1170.7-99.4000111.3R162 V189 K190 P191 C197 L198R162-F193 VanDerWaalsContact NH2-CE1 3.32Å; V189-F193 VanDerWaalsContact O-CB 3.24Å; V189-F193 WeakPolarHBondContact O-CB 3.44Å; V189-F193 PolarHBondContact O-N 3.19Å; K190-F193 PolarHBondContact O-N 2.98Å; P191-F193 VanDerWaalsContact C-N 3.32Å; P191-F193 PolarHBondContact O-N 3.19Å; F193-C197 HydrophobicContact CD2-CB 3.59Å; F193-C197 HydrophobicContact CE2-CB 4.1Å; F193-C197 HydrophobicContact CG-CB 4.36Å; F193-C197 CarbonylContact O-C 3.57Å; F193-C197 WeakPolarHBondContact O-CB 3.32Å; F193-C197 PolarHBondContact O-N 3.23Å; F193-C197 VanDerWaalsContact O-N 3.11Å; F193-L198 HydrophobicContact CE1-CB 4.06Å; F193-L198 HydrophobicContact CE1-CD1 4.31Å; F193-L198 HydrophobicContact CE1-CD2 4.33Å; F193-L198 HydrophobicContact CE1-CG 4.48Å; F193-L198 HydrophobicContact CZ-CB 4.09Å; F193-L198 HydrophobicContact CZ-CD1 4.04Å; F193-L198 WeakPolarHBondContact O-CB 3.15Å; F193-L198 PolarHBondContact O-N 2.87Å
194E98.3Very high98.1Very high91 Ų9151.7 Ų51.743%0.42526%0.257SS..Iπ-helixtrans-67.9-35.6-177.8-71.7170.9-176.700112.5K190 P191 P199K190-E194 IonicContact NZ-OE1 3.63Å; K190-E194 PolarHBondContact NZ-OE1 3.34Å; K190-E194 IonicContact NZ-OE2 3.3Å; K190-E194 WeakPolarHBondContact O-CG 3.37Å; K190-E194 PolarHBondContact O-N 3.21Å; P191-E194 PolarHBondContact O-N 3.11Å; P191-E194 VanDerWaalsContact O-N 3.13Å; E194-P199 WeakPolarHBondContact O-CD 3.23Å
195E98.5Very high98.2Very high128 Ų12855.9 Ų55.960%0.59828%0.279SS*.Iπ-helixtrans-83.4-42.7-177.7-169.7177.3175.300113.3P191 P199P191-E195 WeakPolarHBondContact O-CB 3.47Å; P191-E195 PolarHBondContact O-N 3.48Å; E195-P199 WeakPolarHBondContact O-CG 3.29Å
196F98.5Very high98.3Very high19 Ų1958 Ų588%0.08329%0.293CS..Iπ-helixtrans-112.9-36.5-169.2-51.1-60.7000113.9H85 P86 L138 Y141 A192 T200H85-F196 AromaticContact CD2-CE2 3.39Å; H85-F196 WeakPolarHBondContact CD2-CE2 3.42Å; H85-F196 AromaticContact CD2-CZ 3.46Å; H85-F196 VanDerWaalsContact CD2-CZ 3.46Å; H85-F196 WeakPolarHBondContact CD2-CZ 3.35Å; H85-F196 AromaticContact NE2-CE2 3.99Å; H85-F196 AromaticContact NE2-CZ 3.55Å; P86-F196 HydrophobicContact CG-CB 4.25Å; P86-F196 HydrophobicContact CG-CD1 3.97Å; P86-F196 HydrophobicContact CG-CD2 4.36Å; P86-F196 HydrophobicContact CG-CE1 4.43Å; P86-F196 HydrophobicContact CG-CG 3.93Å; L138-F196 HydrophobicContact CD2-CB 3.6Å; Y141-F196 HydrophobicContact CD2-CB 4.12Å; Y141-F196 HydrophobicContact CE2-CB 4.02Å; Y141-F196 AromaticContact CE2-CD1 3.77Å; Y141-F196 HydrophobicContact CE2-CD1 3.77Å; Y141-F196 HydrophobicContact CE2-CG 4.3Å; A192-F196 HydrophobicContact CB-CD2 3.93Å; A192-F196 HydrophobicContact CB-CE2 4.24Å; A192-F196 WeakPolarHBondContact O-CB 3.33Å; A192-F196 WeakPolarHBondContact O-CD2 3.37Å; A192-F196 PolarHBondContact O-N 2.98Å; F196-T200 VanDerWaalsContact O-CG2 3.25Å; F196-T200 WeakPolarHBondContact O-CG2 3.5Å
197C98.5Very high98.3Very high3 Ų356.6 Ų56.62%0.0229%0.286CS..Iπ-helixtrans-86-56.3-176.7-1800000111.8I137 L138 A192 F193 T200I137-C197 PolarHBondContact O-SG 2.86Å; L138-C197 HydrophobicContact CD2-CB 4.26Å; A192-C197 PolarHBondContact O-N 3.05Å; F193-C197 HydrophobicContact CD2-CB 3.59Å; F193-C197 HydrophobicContact CE2-CB 4.1Å; F193-C197 HydrophobicContact CG-CB 4.36Å; F193-C197 CarbonylContact O-C 3.57Å; F193-C197 WeakPolarHBondContact O-CB 3.32Å; F193-C197 PolarHBondContact O-N 3.23Å; F193-C197 VanDerWaalsContact O-N 3.11Å; C197-T200 WeakPolarHBondContact O-CB 3.33Å; C197-T200 PolarHBondContact O-N 3.13Å; C197-T200 PolarHBondContact O-OG1 3.42Å
198L98.4Very high98.4Very high70 Ų7053 Ų5337%0.36626%0.264SS..G310 helixtrans-56.9-40.7-173.7-176.262.9000113.3F193 T200 K201F193-L198 HydrophobicContact CE1-CB 4.06Å; F193-L198 HydrophobicContact CE1-CD1 4.31Å; F193-L198 HydrophobicContact CE1-CD2 4.33Å; F193-L198 HydrophobicContact CE1-CG 4.48Å; F193-L198 HydrophobicContact CZ-CB 4.09Å; F193-L198 HydrophobicContact CZ-CD1 4.04Å; F193-L198 WeakPolarHBondContact O-CB 3.15Å; F193-L198 PolarHBondContact O-N 2.87Å; L198-T200 PolarHBondContact O-N 3.41Å; L198-T200 VanDerWaalsContact O-N 3.14Å; L198-K201 HydrophobicContact CD1-CD 4.32Å; L198-K201 WeakPolarHBondContact O-CB 3.29Å; L198-K201 PolarHBondContact O-N 3.06Å; L198-K201 VanDerWaalsContact O-N 3.1Å
199P98.7Very high98.4Very high61 Ų6153.4 Ų53.440%0.39627%0.271SS..G310 helixtrans-63.2-19.6175.9-26.439.4000114E194 E195 K201 K202E194-P199 WeakPolarHBondContact O-CD 3.23Å; E195-P199 WeakPolarHBondContact O-CG 3.29Å; P199-K201 VanDerWaalsContact C-N 3.32Å; P199-K202 WeakPolarHBondContact O-CD 3.43Å; P199-K202 WeakPolarHBondContact O-CE 3.37Å; P199-K202 VanDerWaalsContact O-CG 3.27Å; P199-K202 WeakPolarHBondContact O-CG 3.49Å
200T98.7Very high98.2Very high5 Ų560.5 Ų60.53%0.03130%0.298CS..G310 helixtrans-80.5-12.6178.174.40000113.3F140 F196 C197 L198 K202 Y203F140-T200 HydrophobicContact CB-CG2 4.36Å; F196-T200 VanDerWaalsContact O-CG2 3.25Å; F196-T200 WeakPolarHBondContact O-CG2 3.5Å; C197-T200 WeakPolarHBondContact O-CB 3.33Å; C197-T200 PolarHBondContact O-N 3.13Å; C197-T200 PolarHBondContact O-OG1 3.42Å; L198-T200 PolarHBondContact O-N 3.41Å; L198-T200 VanDerWaalsContact O-N 3.14Å; T200-K202 PolarHBondContact O-N 2.86Å; T200-K202 VanDerWaalsContact O-N 3.13Å; T200-Y203 HydrophobicContact CG2-CD2 4.46Å; T200-Y203 HydrophobicContact CG2-CE2 4.46Å; T200-Y203 WeakPolarHBondContact O-CB 3.22Å; T200-Y203 WeakPolarHBondContact O-CD2 3.27Å; T200-Y203 PolarHBondContact O-N 3.42Å
201K98.6Very high98.1Very high51 Ų5156.7 Ų56.722%0.22228%0.281CS..G310 helixtrans-55.4-30.9175.6-174.3174.5179.7175.50112.6F154 D156 L198 P199 Y203 A204 I207F154-K201 HydrophobicContact CD1-CB 4.45Å; F154-K201 HydrophobicContact CD1-CD 4.12Å; F154-K201 HydrophobicContact CD1-CG 3.9Å; F154-K201 HydrophobicContact CD2-CB 4.07Å; F154-K201 HydrophobicContact CD2-CG 4.27Å; F154-K201 HydrophobicContact CE1-CB 4.3Å; F154-K201 HydrophobicContact CE1-CD 3.92Å; F154-K201 HydrophobicContact CE1-CG 4.03Å; F154-K201 HydrophobicContact CE2-CB 3.92Å; F154-K201 HydrophobicContact CE2-CG 4.4Å; F154-K201 HydrophobicContact CG-CB 4.34Å; F154-K201 HydrophobicContact CG-CG 4.02Å; F154-K201 HydrophobicContact CZ-CB 4.03Å; F154-K201 HydrophobicContact CZ-CD 4.36Å; F154-K201 HydrophobicContact CZ-CG 4.28Å; D156-K201 IonicContact OD1-NZ 2.64Å; D156-K201 PolarHBondContact OD1-NZ 3.17Å; D156-K201 IonicContact OD2-NZ 2.88Å; D156-K201 PolarHBondContact OD2-NZ 3.36Å; L198-K201 HydrophobicContact CD1-CD 4.32Å; L198-K201 WeakPolarHBondContact O-CB 3.29Å; L198-K201 PolarHBondContact O-N 3.06Å; L198-K201 VanDerWaalsContact O-N 3.1Å; P199-K201 VanDerWaalsContact C-N 3.32Å; K201-Y203 PolarHBondContact O-N 3.29Å; K201-A204 WeakPolarHBondContact O-CB 3.35Å; K201-A204 PolarHBondContact O-N 3.48Å; K201-A204 VanDerWaalsContact O-N 3.14Å; K201-I207 HydrophobicContact CG-CD1 4.3Å
202K98.5Very high97.9Very high151 Ų15155.1 Ų55.166%0.65727%0.273SS*.G310 helixtrans-63.8-17.3176.475.9-169177.21760114.4P199 T200P199-K202 WeakPolarHBondContact O-CD 3.43Å; P199-K202 WeakPolarHBondContact O-CE 3.37Å; P199-K202 VanDerWaalsContact O-CG 3.27Å; P199-K202 WeakPolarHBondContact O-CG 3.49Å; T200-K202 PolarHBondContact O-N 2.86Å; T200-K202 VanDerWaalsContact O-N 3.13Å
203Y98.7Very high97.8Very high78 Ų7860.4 Ų60.431%0.30630%0.301SS..G310 helixtrans-91.6-3.6177.7-55.5-57.1000113.1F140 R146 K152 T200 K201F140-Y203 HydrophobicContact CB-CD2 4.49Å; R146-Y203 VanDerWaalsContact CD-CG 3.48Å; K152-Y203 WeakPolarHBondContact CD-O 3.33Å; K152-Y203 WeakPolarHBondContact CE-O 3.37Å; T200-Y203 HydrophobicContact CG2-CD2 4.46Å; T200-Y203 HydrophobicContact CG2-CE2 4.46Å; T200-Y203 WeakPolarHBondContact O-CB 3.22Å; T200-Y203 WeakPolarHBondContact O-CD2 3.27Å; T200-Y203 PolarHBondContact O-N 3.42Å; K201-Y203 PolarHBondContact O-N 3.29Å
204A98.7Very high97.7Very high21 Ų2159.9 Ų59.917%0.17430%0.299CS..  trans-73.4136178.800000110.7K152 F154 K201 I207K152-A204 CarbonylContact O-C 3.54Å; F154-A204 HydrophobicContact CB-CB 3.6Å; K201-A204 WeakPolarHBondContact O-CB 3.35Å; K201-A204 PolarHBondContact O-N 3.48Å; K201-A204 VanDerWaalsContact O-N 3.14Å; A204-I207 HydrophobicContact CB-CG1 4.38Å
205D98.4Very high97.6Very high91 Ų9159.7 Ų59.749%0.48730%0.301SS..SBendtrans-78.7-33.4170.6-51.7-53.8000110.1K152K152-D205 WeakPolarHBondContact CB-OD2 3.27Å; K152-D205 WeakPolarHBondContact CE-OD2 3.38Å; K152-D205 PolarHBondContact N-OD2 2.85Å; K152-D205 VanDerWaalsContact NZ-CG 3.32Å; K152-D205 IonicContact NZ-OD1 3.11Å; K152-D205 PolarHBondContact NZ-OD1 3.43Å; K152-D205 VanDerWaalsContact NZ-OD1 3.11Å; K152-D205 IonicContact NZ-OD2 2.76Å; K152-D205 PolarHBondContact NZ-OD2 3.23Å; K152-D205 PolarHBondContact O-N 3.32Å
206V98.2Very high97.6Very high53 Ų5359.2 Ų59.232%0.32131%0.306SS..EExtended strand (participates in β ladder)trans-137.5134.1178.8-177.90000110.8K152 L153 F154 I208K152-V206 PolarHBondContact O-N 3.13Å; L153-V206 WeakPolarHBondContact CA-O 3.44Å; L153-V206 HydrophobicContact CD2-CB 3.76Å; L153-V206 HydrophobicContact CD2-CG1 4.42Å; L153-V206 HydrophobicContact CD2-CG2 4.31Å; F154-V206 PolarHBondContact N-O 3.12Å; V206-I208 HydrophobicContact CG1-CG1 4.39Å
207I98.4Very high97.6Very high82 Ų8259.2 Ų59.242%0.42131%0.31SS..EExtended strand (participates in β ladder)trans-102.4126.8173-63169.3000109.3F154 D156 K201 A204 P209F154-I207 CarbonylContact O-C 3.59Å; F154-I207 WeakPolarHBondContact O-CA 3.38Å; D156-I207 HydrophobicContact CB-CG2 3.62Å; K201-I207 HydrophobicContact CG-CD1 4.3Å; A204-I207 HydrophobicContact CB-CG1 4.38Å; I207-P209 WeakPolarHBondContact O-CD 3.44Å
208I98.3Very high97.5Very high0 Ų059 Ų590%031%0.309CS..EExtended strand (participates in β ladder)trans-107.3102.2179.2-58.1177.8000108.9V36 L153 F154 V155 D156 V206 N214 A217 I221V36-I208 HydrophobicContact CG1-CD1 4.45Å; L153-I208 HydrophobicContact CB-CD1 4.4Å; L153-I208 HydrophobicContact CD1-CD1 4.12Å; F154-I208 PolarHBondContact O-N 3.42Å; V155-I208 WeakPolarHBondContact CA-O 3.39Å; V155-I208 HydrophobicContact CG2-CB 4.5Å; D156-I208 PolarHBondContact N-O 3.11Å; V206-I208 HydrophobicContact CG1-CG1 4.39Å; I208-N214 HydrophobicContact CG2-CB 4.36Å; I208-A217 HydrophobicContact CG1-CB 4.33Å; I208-A217 HydrophobicContact CG2-CB 3.9Å; I208-I221 HydrophobicContact CD1-CG1 4.47Å
209P97.7Very high97.5Very high52 Ų5259.8 Ų59.834%0.33831%0.313SS..EExtended strand (participates in β ladder)trans-73.8154.817430.9-34.6000110.7D156 I207 G211 N214D156-P209 WeakPolarHBondContact O-CA 3.32Å; I207-P209 WeakPolarHBondContact O-CD 3.44Å; P209-G211 PolarHBondContact O-N 3.31Å; P209-G211 VanDerWaalsContact O-N 3.15Å; P209-N214 VanDerWaalsContact O-CB 3.24Å; P209-N214 WeakPolarHBondContact O-CB 3.45Å; P209-N214 PolarHBondContact O-ND2 2.86Å
210R94.6Very high97.4Very high150 Ų15062.5 Ų62.557%0.56632%0.324SS*.THydrogen-bonded Turntrans64.37.4173.9-54.3-178.7-64.4-82.5-1.7116.2D156 A212 D213D156-R210 PolarHBondContact O-N 3.07Å; R210-A212 PolarHBondContact O-N 3.4Å; R210-D213 HydrophobicContact CB-CB 4.48Å; R210-D213 PolarHBondContact O-N 3.33Å
211G94.7Very high97.4Very high0 Ų062.5 Ų62.50%032%0.323CS..G310 helixtrans55.7-130.4174.500000113.6P209 D213 N214P209-G211 PolarHBondContact O-N 3.31Å; P209-G211 VanDerWaalsContact O-N 3.15Å; G211-D213 PolarHBondContact O-N 3.41Å; G211-D213 VanDerWaalsContact O-N 3.11Å; G211-N214 PolarHBondContact O-N 2.73Å; G211-N214 VanDerWaalsContact O-N 3.09Å
212A94.5Very high97.3Very high22 Ų2260.5 Ų60.518%0.18232%0.315CS..G310 helixtrans-65.2-14.4-17200000115.3K39 R210 N214K39-A212 PolarHBondContact NZ-O 3.22Å; R210-A212 PolarHBondContact O-N 3.4Å; A212-N214 VanDerWaalsContact C-N 3.32Å
213D95.8Very high97.3Very high113 Ų11357.8 Ų57.860%0.60431%0.305SS*.G310 helixtrans-79.9-16.9177.3-58.4-37.6000112R165 R210 G211 L215R165-D213 IonicContact NH2-OD2 3.9Å; R210-D213 HydrophobicContact CB-CB 4.48Å; R210-D213 PolarHBondContact O-N 3.33Å; G211-D213 PolarHBondContact O-N 3.41Å; G211-D213 VanDerWaalsContact O-N 3.11Å; D213-L215 VanDerWaalsContact C-N 3.33Å; D213-L215 PolarHBondContact O-N 2.89Å
214N96.8Very high97.2Very high17 Ų1757 Ų579%0.09130%0.304CS..  trans-85.973.5-180-167-11.8000111.8I208 P209 G211 A212 V216 A217 I218I208-N214 HydrophobicContact CG2-CB 4.36Å; P209-N214 VanDerWaalsContact O-CB 3.24Å; P209-N214 WeakPolarHBondContact O-CB 3.45Å; P209-N214 PolarHBondContact O-ND2 2.86Å; G211-N214 PolarHBondContact O-N 2.73Å; G211-N214 VanDerWaalsContact O-N 3.09Å; A212-N214 VanDerWaalsContact C-N 3.32Å; N214-V216 PolarHBondContact O-N 3.46Å; N214-A217 HydrophobicContact CB-CB 4.26Å; N214-A217 PolarHBondContact O-N 3.39Å; N214-A217 PolarHBondContact OD1-N 2.88Å; N214-I218 WeakPolarHBondContact O-CG1 3.49Å; N214-I218 PolarHBondContact O-N 2.86Å
215L97.2Very high97.1Very high86 Ų8656 Ų5645%0.4530%0.296SS..Hα-helixtrans-57.2-34.4-179.2-63.2-176.9000113.5K39 D213 I218 N219K39-L215 HydrophobicContact CD-CD2 4.49Å; D213-L215 VanDerWaalsContact C-N 3.33Å; D213-L215 PolarHBondContact O-N 2.89Å; L215-I218 PolarHBondContact O-N 3.43Å; L215-N219 VanDerWaalsContact O-CB 3.3Å; L215-N219 WeakPolarHBondContact O-CB 3.48Å; L215-N219 PolarHBondContact O-N 3.4Å; L215-N219 PolarHBondContact O-ND2 2.92Å
216V98Very high96.9Very high118 Ų11854.9 Ų54.972%0.71529%0.288SS*.Hα-helixtrans-64.8-48.2179.5178.20000110.6N214 N219 L220N214-V216 PolarHBondContact O-N 3.46Å; V216-N219 PolarHBondContact O-N 2.87Å; V216-L220 PolarHBondContact O-N 3.45Å; V216-L220 VanDerWaalsContact O-N 3.09Å
217A97.7Very high96.8Very high19 Ų1953.7 Ų53.716%0.15728%0.28CS..Hα-helixtrans-63.7-42.5176.800000111.5I208 N214 L220 I221I208-A217 HydrophobicContact CG1-CB 4.33Å; I208-A217 HydrophobicContact CG2-CB 3.9Å; N214-A217 HydrophobicContact CB-CB 4.26Å; N214-A217 PolarHBondContact O-N 3.39Å; N214-A217 PolarHBondContact OD1-N 2.88Å; A217-L220 WeakPolarHBondContact O-CB 3.47Å; A217-L220 PolarHBondContact O-N 3.43Å; A217-I221 WeakPolarHBondContact O-CG1 3.38Å; A217-I221 PolarHBondContact O-N 3Å
218I97.8Very high96.6Very high0 Ų051.6 Ų51.60%027%0.269CS..Hα-helixtrans-60.7-47.8177.4-68.8172000111V36 K39 I40 L43 N214 L215 L220 I221 V222V36-I218 HydrophobicContact CG1-CG1 4.33Å; V36-I218 HydrophobicContact CG2-CD1 4.46Å; K39-I218 HydrophobicContact CB-CD1 4.38Å; K39-I218 HydrophobicContact CD-CD1 3.88Å; K39-I218 HydrophobicContact CG-CD1 4.26Å; K39-I218 HydrophobicContact CG-CG2 4.36Å; I40-I218 HydrophobicContact CG1-CG2 4Å; L43-I218 HydrophobicContact CD1-CG2 3.68Å; N214-I218 WeakPolarHBondContact O-CG1 3.49Å; N214-I218 PolarHBondContact O-N 2.86Å; L215-I218 PolarHBondContact O-N 3.43Å; I218-L220 VanDerWaalsContact C-N 3.28Å; I218-L220 PolarHBondContact O-N 3.38Å; I218-I221 PolarHBondContact O-N 3.43Å; I218-I221 VanDerWaalsContact O-N 3.14Å; I218-V222 HydrophobicContact CG2-CG2 4.14Å; I218-V222 VanDerWaalsContact O-CG2 3.31Å; I218-V222 WeakPolarHBondContact O-CG2 3.34Å; I218-V222 PolarHBondContact O-N 3.32Å
219N97.5Very high96.4Very high85 Ų8553.4 Ų53.446%0.45528%0.278SS..Hα-helixtrans-62.7-34.3179.7-73-14.2000112.5L215 V216 V222 Q223L215-N219 VanDerWaalsContact O-CB 3.3Å; L215-N219 WeakPolarHBondContact O-CB 3.48Å; L215-N219 PolarHBondContact O-N 3.4Å; L215-N219 PolarHBondContact O-ND2 2.92Å; V216-N219 PolarHBondContact O-N 2.87Å; N219-V222 PolarHBondContact O-N 3.03Å; N219-Q223 WeakPolarHBondContact O-CB 3.42Å; N219-Q223 PolarHBondContact O-N 3.33Å
220L97.5Very high96.1Very high119 Ų11956 Ų5662%0.62329%0.289SS*.Hα-helixtrans-62.2-45.2173.7-178.167.4000111.6V216 A217 I218 H224V216-L220 PolarHBondContact O-N 3.45Å; V216-L220 VanDerWaalsContact O-N 3.09Å; A217-L220 WeakPolarHBondContact O-CB 3.47Å; A217-L220 PolarHBondContact O-N 3.43Å; I218-L220 VanDerWaalsContact C-N 3.28Å; I218-L220 PolarHBondContact O-N 3.38Å; L220-H224 PolarHBondContact O-N 3.1Å
221I97.6Very high95.5Very high4 Ų450.3 Ų50.32%0.02128%0.278CS..Hα-helixtrans-68.2-41.6177.3-57.1-55.8000111I40 M151 L153 I208 A217 I218 Q223 H224 I225I40-I221 HydrophobicContact CD1-CB 4.24Å; I40-I221 HydrophobicContact CD1-CG2 3.8Å; M151-I221 HydrophobicContact CE-CD1 4.33Å; M151-I221 HydrophobicContact SD-CD1 3.99Å; L153-I221 HydrophobicContact CD1-CD1 4.16Å; L153-I221 HydrophobicContact CD1-CG1 4.16Å; L153-I221 HydrophobicContact CD1-CG2 4.29Å; L153-I221 HydrophobicContact CD2-CD1 3.9Å; I208-I221 HydrophobicContact CD1-CG1 4.47Å; A217-I221 WeakPolarHBondContact O-CG1 3.38Å; A217-I221 PolarHBondContact O-N 3Å; I218-I221 PolarHBondContact O-N 3.43Å; I218-I221 VanDerWaalsContact O-N 3.14Å; I221-Q223 PolarHBondContact O-N 2.98Å; I221-H224 PolarHBondContact O-N 3.05Å; I221-I225 HydrophobicContact CG2-CD1 3.87Å; I221-I225 HydrophobicContact CG2-CG1 4.42Å; I221-I225 WeakPolarHBondContact O-CG1 3.38Å; I221-I225 PolarHBondContact O-N 3.19Å
222V97.7Very high93.7Very high9 Ų950.9 Ų50.96%0.05528%0.283CS..Hα-helixtrans-58-48.4175.2168.40000110.7I40 L43 L44 I218 N219 H224 I225 Q226I40-V222 HydrophobicContact CB-CG2 4.27Å; I40-V222 HydrophobicContact CG1-CG2 4.19Å; I40-V222 HydrophobicContact CG2-CG2 4.11Å; L43-V222 HydrophobicContact CB-CG1 4.25Å; L43-V222 HydrophobicContact CB-CG2 3.93Å; L43-V222 HydrophobicContact CD1-CG2 4.11Å; L44-V222 HydrophobicContact CD2-CG1 3.86Å; L44-V222 HydrophobicContact CG-CG1 4.18Å; I218-V222 HydrophobicContact CG2-CG2 4.14Å; I218-V222 VanDerWaalsContact O-CG2 3.31Å; I218-V222 WeakPolarHBondContact O-CG2 3.34Å; I218-V222 PolarHBondContact O-N 3.32Å; N219-V222 PolarHBondContact O-N 3.03Å; V222-H224 VanDerWaalsContact C-N 3.31Å; V222-H224 PolarHBondContact O-N 3.32Å; V222-I225 PolarHBondContact O-N 3.18Å; V222-Q226 WeakPolarHBondContact O-CG 3.38Å; V222-Q226 PolarHBondContact O-N 3.21Å
223Q96.9Very high91.7Very high95 Ų9556 Ų5644%0.44431%0.307SS..Hα-helixtrans-61.7-40.4177.9-176.461.759.700111.8N219 I221 Q226 D227N219-Q223 WeakPolarHBondContact O-CB 3.42Å; N219-Q223 PolarHBondContact O-N 3.33Å; I221-Q223 PolarHBondContact O-N 2.98Å; Q223-Q226 PolarHBondContact O-N 2.84Å; Q223-D227 PolarHBondContact NE2-OD1 3.22Å; Q223-D227 PolarHBondContact O-N 2.82Å
224H96.7Very high89.4Confident60 Ų6055 Ų5528%0.27831%0.309SS..Hα-helixtrans-63.1-43.5176.8-174.558.6000112F21 L220 I221 V222 D227 I228F21-H224 AromaticContact CZ-NE2 3.98Å; L220-H224 PolarHBondContact O-N 3.1Å; I221-H224 PolarHBondContact O-N 3.05Å; V222-H224 VanDerWaalsContact C-N 3.31Å; V222-H224 PolarHBondContact O-N 3.32Å; H224-D227 WeakPolarHBondContact O-CB 3.25Å; H224-D227 PolarHBondContact O-N 3.25Å; H224-I228 WeakPolarHBondContact O-CG1 3.48Å; H224-I228 PolarHBondContact O-N 2.82Å
225I96.7Very high86.9Confident0 Ų060.3 Ų60.30%033%0.331CS..Hα-helixtrans-64-43.7175.8-68168.6000110.6I23 I40 L44 V56 V131 L133 I221 V222 D227 I228 L229I23-I225 HydrophobicContact CD1-CD1 3.98Å; I23-I225 HydrophobicContact CD1-CG1 3.98Å; I40-I225 HydrophobicContact CG2-CD1 3.58Å; L44-I225 HydrophobicContact CD1-CB 4.1Å; L44-I225 HydrophobicContact CD1-CD1 4.14Å; L44-I225 HydrophobicContact CD1-CG2 3.51Å; L44-I225 HydrophobicContact CD2-CB 4.39Å; L44-I225 HydrophobicContact CD2-CG2 4.05Å; L44-I225 HydrophobicContact CG-CG2 4.46Å; V56-I225 HydrophobicContact CG2-CG2 3.97Å; V131-I225 HydrophobicContact CB-CG2 4.43Å; V131-I225 HydrophobicContact CG1-CD1 4.35Å; V131-I225 HydrophobicContact CG1-CG1 4.25Å; V131-I225 HydrophobicContact CG1-CG2 4.4Å; V131-I225 HydrophobicContact CG2-CG2 4.05Å; L133-I225 HydrophobicContact CD2-CD1 4.33Å; I221-I225 HydrophobicContact CG2-CD1 3.87Å; I221-I225 HydrophobicContact CG2-CG1 4.42Å; I221-I225 WeakPolarHBondContact O-CG1 3.38Å; I221-I225 PolarHBondContact O-N 3.19Å; V222-I225 PolarHBondContact O-N 3.18Å; I225-D227 VanDerWaalsContact C-N 3.29Å; I225-D227 PolarHBondContact O-N 3.44Å; I225-I228 WeakPolarHBondContact O-CB 2.89Å; I225-I228 PolarHBondContact O-N 3.24Å; I225-I228 VanDerWaalsContact O-N 3.09Å; I225-L229 HydrophobicContact CG2-CD1 4.08Å; I225-L229 HydrophobicContact CG2-CG 4.21Å; I225-L229 WeakPolarHBondContact O-CG 3.03Å; I225-L229 PolarHBondContact O-N 3.01Å
226Q96Very high84.4Confident69 Ų6964 Ų6432%0.32234%0.339SS..Hα-helixtrans-58.7-41.1174.7-72.6175.9-14.200112.1L44 V222 Q223 I228 L229 N230L44-Q226 HydrophobicContact CD2-CG 3.42Å; L44-Q226 VanDerWaalsContact CD2-CG 3.42Å; V222-Q226 WeakPolarHBondContact O-CG 3.38Å; V222-Q226 PolarHBondContact O-N 3.21Å; Q223-Q226 PolarHBondContact O-N 2.84Å; Q226-I228 VanDerWaalsContact C-N 3.33Å; Q226-I228 PolarHBondContact O-N 2.93Å; Q226-L229 PolarHBondContact O-N 2.61Å; Q226-N230 WeakPolarHBondContact O-CB 3.4Å; Q226-N230 PolarHBondContact O-N 3.2Å; Q226-N230 PolarHBondContact O-ND2 2.87Å
227D95.4Very high81.7Confident28 Ų2865 Ų6515%0.1534%0.336CS..Hα-helixtrans-60.4-43.5174.8-77.82000110.6Q223 H224 I225 N230 G231 G232 R236Q223-D227 PolarHBondContact NE2-OD1 3.22Å; Q223-D227 PolarHBondContact O-N 2.82Å; H224-D227 WeakPolarHBondContact O-CB 3.25Å; H224-D227 PolarHBondContact O-N 3.25Å; I225-D227 VanDerWaalsContact C-N 3.29Å; I225-D227 PolarHBondContact O-N 3.44Å; D227-N230 PolarHBondContact O-N 3.08Å; D227-G231 PolarHBondContact O-N 2.83Å; D227-G232 WeakPolarHBondContact O-CA 3.2Å; D227-G232 PolarHBondContact O-N 3.42Å; D227-R236 IonicContact OD1-NH2 3.45Å; D227-R236 PolarHBondContact OD1-NH2 3.33Å; D227-R236 IonicContact OD2-CZ 3.22Å; D227-R236 VanDerWaalsContact OD2-CZ 3.22Å; D227-R236 IonicContact OD2-NH1 2.83Å; D227-R236 PolarHBondContact OD2-NH1 3.33Å; D227-R236 IonicContact OD2-NH2 2.87Å; D227-R236 PolarHBondContact OD2-NH2 2.89Å
228I93.8Very high79.3Confident38 Ų3868.1 Ų68.120%0.19535%0.353CS..Hα-helixtrans-59.5-52.6175.3-66.9164.8000110.9F21 V131 H224 I225 Q226 N230 G231F21-I228 HydrophobicContact CB-CD1 4.26Å; F21-I228 HydrophobicContact CB-CG2 4.35Å; F21-I228 HydrophobicContact CD1-CD1 3.63Å; F21-I228 HydrophobicContact CD2-CD1 4Å; F21-I228 HydrophobicContact CE1-CD1 3.85Å; F21-I228 HydrophobicContact CE2-CD1 4.21Å; F21-I228 HydrophobicContact CG-CD1 3.7Å; F21-I228 HydrophobicContact CZ-CD1 4.13Å; V131-I228 HydrophobicContact CG2-CG2 4.03Å; H224-I228 WeakPolarHBondContact O-CG1 3.48Å; H224-I228 PolarHBondContact O-N 2.82Å; I225-I228 WeakPolarHBondContact O-CB 2.89Å; I225-I228 PolarHBondContact O-N 3.24Å; I225-I228 VanDerWaalsContact O-N 3.09Å; Q226-I228 VanDerWaalsContact C-N 3.33Å; Q226-I228 PolarHBondContact O-N 2.93Å; I228-N230 PolarHBondContact O-N 3.4Å; I228-G231 PolarHBondContact O-N 3.2Å
229L93.5Very high76.7Confident37 Ų3773.8 Ų73.819%0.19438%0.384CS..Hα-helixtrans-59.2-32.7-179.1-63.7-179.8000112.5Q55 V56 D130 V131 I225 Q226 G231Q55-L229 HydrophobicContact CB-CD2 3.88Å; V56-L229 HydrophobicContact CG2-CD1 4.01Å; V56-L229 HydrophobicContact CG2-CD2 4.43Å; D130-L229 HydrophobicContact CB-CD2 3.51Å; V131-L229 HydrophobicContact CG2-CD2 4.13Å; I225-L229 HydrophobicContact CG2-CD1 4.08Å; I225-L229 HydrophobicContact CG2-CG 4.21Å; I225-L229 WeakPolarHBondContact O-CG 3.03Å; I225-L229 PolarHBondContact O-N 3.01Å; Q226-L229 PolarHBondContact O-N 2.61Å; L229-G231 VanDerWaalsContact C-N 3.29Å; L229-G231 PolarHBondContact O-N 3.44Å
230N92.1Very high74.1Confident106 Ų10672.4 Ų72.457%0.56739%0.389SS*.THydrogen-bonded Turntrans-80.5-2.9178.2-70.8-38.4000114.2Q226 D227 I228 K235Q226-N230 WeakPolarHBondContact O-CB 3.4Å; Q226-N230 PolarHBondContact O-N 3.2Å; Q226-N230 PolarHBondContact O-ND2 2.87Å; D227-N230 PolarHBondContact O-N 3.08Å; I228-N230 PolarHBondContact O-N 3.4Å; N230-K235 PolarHBondContact O-NZ 3.1Å
231G81.9Confident71.4Confident32 Ų3276.6 Ų76.633%0.3340%0.398SS..THydrogen-bonded Turntrans80.926.8-174.700000113.8D227 I228 L229 L233 S234 K235D227-G231 PolarHBondContact O-N 2.83Å; I228-G231 PolarHBondContact O-N 3.2Å; L229-G231 VanDerWaalsContact C-N 3.29Å; L229-G231 PolarHBondContact O-N 3.44Å; G231-L233 PolarHBondContact O-N 3.49Å; G231-S234 PolarHBondContact O-N 2.89Å; G231-K235 PolarHBondContact O-N 3.37Å
232G57Low68.8Low11 Ų1183.1 Ų83.111%0.11343%0.432CS..THydrogen-bonded Turntrans-82.112.8-159.500000118.4D227D227-G232 WeakPolarHBondContact O-CA 3.2Å; D227-G232 PolarHBondContact O-N 3.42Å
233L52.8Low66Low129 Ų12989.8 Ų89.868%0.67547%0.467SS*.THydrogen-bonded Turntrans-99.5-36.5158.9-75.6165.3000111.5G231G231-L233 PolarHBondContact O-N 3.49Å
234S47.8Very low62.8Low93 Ų9388.5 Ų88.565%0.6548%0.48SS*.Hα-helixtrans-81.4-36.5-179.2-48.40000112.6G231G231-S234 PolarHBondContact O-N 2.89Å
235K42.7Very low59.8Low129 Ų12996.5 Ų96.556%0.56151%0.509SS*.Hα-helixtrans-76.4-26.8179.8-73.2-179.4-176.2162.70114.6N230 G231 Q237 T238 N239N230-K235 PolarHBondContact O-NZ 3.1Å; G231-K235 PolarHBondContact O-N 3.37Å; K235-Q237 VanDerWaalsContact C-N 3.32Å; K235-T238 WeakPolarHBondContact CA-OG1 3.41Å; K235-T238 PolarHBondContact O-N 3.27Å; K235-T238 PolarHBondContact O-OG1 3.46Å; K235-N239 PolarHBondContact O-N 2.93Å; K235-N239 VanDerWaalsContact O-N 3.12Å
236R44.7Very low57Low162 Ų162102.7 Ų102.761%0.61155%0.547SS*.Hα-helixtrans-70.6-28.5177.1-82.4-172.3177147.28.9112.2D227 G240D227-R236 IonicContact OD1-NH2 3.45Å; D227-R236 PolarHBondContact OD1-NH2 3.33Å; D227-R236 IonicContact OD2-CZ 3.22Å; D227-R236 VanDerWaalsContact OD2-CZ 3.22Å; D227-R236 IonicContact OD2-NH1 2.83Å; D227-R236 PolarHBondContact OD2-NH1 3.33Å; D227-R236 IonicContact OD2-NH2 2.87Å; D227-R236 PolarHBondContact OD2-NH2 2.89Å; R236-G240 PolarHBondContact O-N 3.15Å
237Q43.1Very low54.5Low140 Ų140105.2 Ų105.265%0.65457%0.57SS**Hα-helixtrans-73.4-39.4172.8-66.5-17121.900111.7K235 G240 Y241K235-Q237 VanDerWaalsContact C-N 3.32Å; Q237-G240 PolarHBondContact O-N 3.48Å; Q237-Y241 WeakPolarHBondContact O-CD2 3.34Å
238T45.9Very low51.7Low85 Ų85109.1 Ų109.152%0.52160%0.599SS.*Hα-helixtrans-72.3-31.3-179.951.50000113.8K235K235-T238 WeakPolarHBondContact CA-OG1 3.41Å; K235-T238 PolarHBondContact O-N 3.27Å; K235-T238 PolarHBondContact O-OG1 3.46Å
239N43.8Very low49.2Very low119 Ų119118.7 Ų118.764%0.63663%0.633SS**Hα-helixtrans-86.1-11.1176.6-79.5-1.1000114.3K235K235-N239 PolarHBondContact O-N 2.93Å; K235-N239 VanDerWaalsContact O-N 3.12Å
240G41.7Very low46.8Very low55 Ų55126.8 Ų126.857%0.56767%0.666SS**Hα-helixtrans-79.1-19.6176.300000114.7R236 Q237R236-G240 PolarHBondContact O-N 3.15Å; Q237-G240 PolarHBondContact O-N 3.48Å
241Y41.6Very low44.5Very low208 Ų208133.7 Ų133.782%0.81669%0.685SS**SBendtrans-92.9-2.7-179.8-71.9-73.6000114.5Q237Q237-Y241 WeakPolarHBondContact O-CD2 3.34Å
242L43.6Very low42.7Very low140 Ų140140.9 Ų140.973%0.73371%0.71SS**SBendtrans-104.8-6.1-176.2-96.4135.5000115
243N37.5Very low42Very low149 Ų149145.1 Ų145.180%0.79774%0.744SS**SBendtrans-111.4102.5173-86.2-16.4000110.2Y245N243-Y245 PolarHBondContact O-N 3.12Å
244G30.4Very low41.9Very low69 Ų69144.6 Ų144.671%0.71175%0.751SS**  trans-56.4128.3-17400000114.2
245Y34.1Very low41.8Very low228 Ų228149 Ų14989%0.89476%0.761SS**  trans-150.1105.8145.8-118-86.4000107.6N243 P247N243-Y245 PolarHBondContact O-N 3.12Å; Y245-P247 WeakPolarHBondContact O-CD 3.43Å
246T37.6Very low42.2Very low129 Ų129148.1 Ų148.179%0.79177%0.771SS**  trans-86.2111.9171.2-33.10000107.6S248T246-S248 PolarHBondContact O-N 3.25Å
247P43Very low42.3Very low122 Ų122145.2 Ų145.279%0.79278%0.775SS**  trans-86.893.9166.318-1.5000107.8Y245 R249Y245-P247 WeakPolarHBondContact O-CD 3.43Å; P247-R249 PolarHBondContact O-N 3.38Å; P247-R249 VanDerWaalsContact O-N 3.13Å
248S37.9Very low42.8Very low111 Ų111143.5 Ų143.578%0.77678%0.779SS**  trans-67.3102.9162.947.80000109.2T246T246-S248 PolarHBondContact O-N 3.25Å
249R41.1Very low42.8Very low239 Ų239150.7 Ų150.790%0.90280%0.797SS**  trans-14797.4157.3-134.8174.8-175.1-178.21.2111.6P247 R251P247-R249 PolarHBondContact O-N 3.38Å; P247-R249 VanDerWaalsContact O-N 3.13Å; R249-R251 PolarHBondContact O-N 3.01Å
250K43Very low43.2Very low206 Ų206150.1 Ų150.190%0.89680%0.799SS**  trans-56.2118.8160.6-74.5179.4174.9179.30108.3
251R42.3Very low43.8Very low251 Ų251160.3 Ų160.395%0.94783%0.832SS**  trans-85.5108.9159.5-107.8179.3167.4178.3-4.1107R249R249-R251 PolarHBondContact O-N 3.01Å
252Q45.7Very low43.9Very low184 Ų184157.9 Ų157.986%0.8683%0.832SS**  trans-68.9133.2164.5-82176.6-36.100108.7
253A42Very low44Very low100 Ų100158.8 Ų158.883%0.82684%0.838SS**  trans-74.2126.4165.100000108.5
254S50.5Low44.3Very low118 Ų118159.4 Ų159.483%0.82584%0.84SS**  trans-115.9100.9164.458.50000107.9
255E45.7Very low45.1Very low186 Ų186164.7 Ų164.787%0.86985%0.847SS**  trans-73.5133.5157.4-70.2177.9150.500108.7
256S50.1Low45.8Very low110 Ų110160.8 Ų160.877%0.76984%0.844SS**  trans179124.7133.836.80000112.6
257S48.2Very low46.4Very low100 Ų100162.9 Ų162.970%0.69985%0.848SS**  trans61.1106.613871.50000118.5
258S52.9Low46.6Very low104 Ų104165.8 Ų165.873%0.72785%0.852SS**  71121.492.783.40000112.6
259R46.5Very low47.3Very low237 Ų237170 Ų17089%0.89486%0.858SS**  -173.617063.5-108.3-173.7177.9173.6-1.2111
260P51Low47.8Very low107 Ų107164.3 Ų164.370%0.69585%0.854SS**  trans-99.7161.3-163.739.1-33.8000114.9
261H55.6Low48.2Very low268 Ų268160.5 Ų160.5100%1.24185%0.85SS**  trans-141.30135.8-95.3-59.8000108.3

Retrieved 261 of 261 residues in 52.3 ms (Link to these results)

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