A0A096LTQ2_POEFO Loading...

MOB kinase activator 2a

AlphaFold DB , UniProt , Accession A0A096LTQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 234 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
1M36.5Very low38.2Very low222 Ų222162.4 Ų162.4100%1.09483%0.834SS**  060.70-62.6171.5-176.200106.9
2D34.4Very low38.8Very low143 Ų143159.3 Ų159.377%0.76583%0.832SS**  77.4102.279.8-65.3-62.5000110.2
3W32.8Very low39.3Very low228 Ų228157.8 Ų157.886%0.86483%0.826SS**  69.3119.4112.3-110.624.8000113.2
4L41.8Very low40.2Very low161 Ų161151.6 Ų151.684%0.84382%0.819SS**  -159.9119.384.7-90151.7000112.9
5M41.4Very low40.4Very low144 Ų144153.1 Ų153.171%0.70982%0.815SS**  trans-71115.4160.3-83-96.9-81.200110.3K7M5-K7 HydrophobicContact CE-CG 4.46Å; M5-K7 PolarHBondContact O-N 3.34Å
6G34.3Very low40.4Very low83 Ų83155.6 Ų155.686%0.85682%0.817SS**  trans-79.788.2163.800000110.8S8G6-S8 PolarHBondContact O-N 3.19Å
7K35.7Very low40.7Very low168 Ų168152.9 Ų152.973%0.7381%0.81SS**  trans-74.6106.9168.7-76.4-177.1176.3177.90109.4M5 K9M5-K7 HydrophobicContact CE-CG 4.46Å; M5-K7 PolarHBondContact O-N 3.34Å; K7-K9 PolarHBondContact O-N 3.27Å
8S38.4Very low41.2Very low115 Ų115151.1 Ų151.180%0.80481%0.808SS**  trans-66.6111.3163.6-165.80000108.6G6 T10G6-S8 PolarHBondContact O-N 3.19Å; S8-T10 PolarHBondContact O-N 3.2Å
9K37.8Very low41.6Very low196 Ų196148.1 Ų148.185%0.85281%0.807SS**  trans-82.696.3174.2-81.7-178.1174.11740109K7 K11K7-K9 PolarHBondContact O-N 3.27Å; K9-K11 PolarHBondContact O-N 3.15Å
10T44.1Very low42.4Very low133 Ų133150.4 Ų150.482%0.81681%0.812SS**  trans-67.9113.7160.120000108.3S8S8-T10 PolarHBondContact O-N 3.2Å
11K42.9Very low43.5Very low193 Ų193149.4 Ų149.484%0.83980%0.802SS**  trans-65.9127.5169-77-179.2176.5178.30108.3K9 N13K9-K11 PolarHBondContact O-N 3.15Å; K11-N13 PolarHBondContact O-N 3.4Å; K11-N13 VanDerWaalsContact O-N 3.15Å
12P45.1Very low45.4Very low126 Ų126145.9 Ų145.982%0.81878%0.781SS**  trans-71.2112.6167.828.9-28000106.8G14P12-G14 PolarHBondContact O-N 3.31Å
13N45.5Very low48.1Very low139 Ų139141.7 Ų141.774%0.74376%0.756SS**  trans-70.188.3172.5-169.224.1000107.7K11 K15K11-N13 PolarHBondContact O-N 3.4Å; K11-N13 VanDerWaalsContact O-N 3.15Å; N13-K15 PolarHBondContact O-N 2.98Å
14G52.7Low51Low71 Ų71133.2 Ų133.273%0.73273%0.726SS**  trans-67.775.7172.600000110.1P12 K16P12-G14 PolarHBondContact O-N 3.31Å; G14-K16 PolarHBondContact O-N 3.32Å; G14-K16 VanDerWaalsContact O-N 3.08Å
15K43.1Very low53.5Low175 Ų175125.8 Ų125.876%0.76169%0.687SS**  trans-63.1107.6155.2-82.2-175.5174.4-177.60105.5N13N13-K15 PolarHBondContact O-N 2.98Å
16K39.5Very low56.1Low193 Ų193120.8 Ų120.884%0.83966%0.664SS**PPolyproline II helixtrans-48.7132.2162.3-81.9-178.8174.5-179.30106.6G14G14-K16 PolarHBondContact O-N 3.32Å; G14-K16 VanDerWaalsContact O-N 3.08Å
17P46.4Very low59Low109 Ų109118.8 Ų118.871%0.70863%0.633SS**PPolyproline II helixtrans-51.6141.2167.622.2-29.7000107.5A19P17-A19 PolarHBondContact O-N 3.05Å
18P48.7Very low61.7Low120 Ų120115.7 Ų115.778%0.77963%0.629SS**PPolyproline II helixtrans-48.8132.3172-13.422.2000107.3E20P18-E20 PolarHBondContact O-N 3.11Å
19A49.6Very low64.4Low95 Ų95115 Ų11579%0.78561%0.614SS**PPolyproline II helixtrans-53.9121.717200000106.8P17 E21P17-A19 PolarHBondContact O-N 3.05Å; A19-E21 PolarHBondContact O-N 3.33Å
20E57.9Low67.2Low193 Ų193106.6 Ų106.690%0.90258%0.577SS**  trans-56.3112.6172.1-84179.115600106.9P18 K22P18-E20 PolarHBondContact O-N 3.11Å; E20-K22 PolarHBondContact O-N 3.14Å; E20-K22 VanDerWaalsContact O-N 3.12Å
21E65.1Low69.5Low131 Ų131101 Ų10161%0.61254%0.542SS*.  trans-64.1116.2176.2-168.9166.1-165.700107.1A19 K23A19-E21 PolarHBondContact O-N 3.33Å; E21-K23 PolarHBondContact O-N 3.28Å; E21-K23 VanDerWaalsContact O-N 3.13Å
22K76.5Confident71.8Confident147 Ų14799.1 Ų99.164%0.63953%0.534SS*.  trans-59.3119.1-176.8-170.8-172.2-179.2-152.10108.4E20 Q24 E27E20-K22 PolarHBondContact O-N 3.14Å; E20-K22 VanDerWaalsContact O-N 3.12Å; K22-Q24 VanDerWaalsContact C-N 3.32Å; K22-Q24 PolarHBondContact O-N 3.39Å; K22-E27 WeakPolarHBondContact CD-OE1 3.29Å; K22-E27 WeakPolarHBondContact CE-OE1 3.34Å; K22-E27 IonicContact NZ-OE1 2.73Å; K22-E27 PolarHBondContact NZ-OE1 3.37Å; K22-E27 IonicContact NZ-OE2 2.73Å; K22-E27 PolarHBondContact NZ-OE2 2.84Å
23K91Very high74Confident55 Ų5596.2 Ų96.224%0.23951%0.512CS..  trans-66.887.4175.7-70.1176.9168.1-173.10109.8E21 Y25 V26 W160 D202E21-K23 PolarHBondContact O-N 3.28Å; E21-K23 VanDerWaalsContact O-N 3.13Å; K23-Y25 HydrophobicContact CB-CD1 4.37Å; K23-Y25 HydrophobicContact CB-CE1 3.9Å; K23-Y25 HydrophobicContact CB-CE2 4.14Å; K23-Y25 HydrophobicContact CD-CE2 4.15Å; K23-Y25 VanDerWaalsContact CD-OH 3.28Å; K23-Y25 WeakPolarHBondContact CD-OH 3.43Å; K23-Y25 VanDerWaalsContact CE-OH 3.24Å; K23-Y25 WeakPolarHBondContact CE-OH 3.16Å; K23-Y25 HydrophobicContact CG-CE1 3.99Å; K23-Y25 HydrophobicContact CG-CE2 4.37Å; K23-Y25 WeakPolarHBondContact CG-OH 3.36Å; K23-Y25 PolarHBondContact O-N 2.86Å; K23-Y25 VanDerWaalsContact O-N 3.11Å; K23-V26 HydrophobicContact CB-CG1 4.3Å; K23-V26 HydrophobicContact CB-CG2 4.01Å; K23-V26 WeakPolarHBondContact O-CG2 3.38Å; K23-V26 PolarHBondContact O-N 3.05Å; K23-V26 VanDerWaalsContact O-N 3.09Å; K23-W160 HydrophobicContact CG-CZ3 4.26Å; K23-D202 WeakPolarHBondContact CD-OD2 3.37Å; K23-D202 WeakPolarHBondContact CE-OD2 3.47Å; K23-D202 IonicContact NZ-OD1 3.77Å; K23-D202 PolarHBondContact NZ-OD1 3.28Å; K23-D202 IonicContact NZ-OD2 3.63Å; K23-D202 PolarHBondContact NZ-OD2 3.02Å
24Q93Very high76Confident51 Ų5192.2 Ų92.224%0.23849%0.486CS..G310 helixtrans-55.3-33.7-177.4-175.9179.7-18.600112.3K22 V26 E27 F30 F163K22-Q24 VanDerWaalsContact C-N 3.32Å; K22-Q24 PolarHBondContact O-N 3.39Å; Q24-V26 PolarHBondContact O-N 3.31Å; Q24-E27 WeakPolarHBondContact O-CB 3.49Å; Q24-E27 WeakPolarHBondContact O-CG 3.36Å; Q24-E27 PolarHBondContact O-N 3.23Å; Q24-F30 HydrophobicContact CG-CD2 4.03Å; Q24-F30 HydrophobicContact CG-CE2 3.42Å; Q24-F30 VanDerWaalsContact CG-CE2 3.42Å; Q24-F30 HydrophobicContact CG-CZ 4.11Å; Q24-F30 WeakPolarHBondContact O-CD2 3.48Å; Q24-F163 HydrophobicContact CB-CD1 4.34Å; Q24-F163 HydrophobicContact CG-CD1 4.26Å; Q24-F163 HydrophobicContact CG-CE1 4.33Å
25Y95Very high77.7Confident5 Ų592.4 Ų92.42%0.0247%0.473CS..G310 helixtrans-67.8-11-179.256.8-98.4000115.7K23 T31 Y159 W160 F163 M200 L203K23-Y25 HydrophobicContact CB-CD1 4.37Å; K23-Y25 HydrophobicContact CB-CE1 3.9Å; K23-Y25 HydrophobicContact CB-CE2 4.14Å; K23-Y25 HydrophobicContact CD-CE2 4.15Å; K23-Y25 VanDerWaalsContact CD-OH 3.28Å; K23-Y25 WeakPolarHBondContact CD-OH 3.43Å; K23-Y25 VanDerWaalsContact CE-OH 3.24Å; K23-Y25 WeakPolarHBondContact CE-OH 3.16Å; K23-Y25 HydrophobicContact CG-CE1 3.99Å; K23-Y25 HydrophobicContact CG-CE2 4.37Å; K23-Y25 WeakPolarHBondContact CG-OH 3.36Å; K23-Y25 PolarHBondContact O-N 2.86Å; K23-Y25 VanDerWaalsContact O-N 3.11Å; Y25-T31 WeakPolarHBondContact O-CG2 3.42Å; Y25-Y159 WeakPolarHBondContact CD1-O 3.49Å; Y25-Y159 HydrophobicContact CD2-CD1 4.16Å; Y25-Y159 WeakPolarHBondContact CE1-O 3.22Å; Y25-Y159 AromaticContact CG-CD1 3.88Å; Y25-Y159 HydrophobicContact CG-CD1 3.88Å; Y25-Y159 HydrophobicContact CG-CG 4.46Å; Y25-W160 HydrophobicContact CE1-CE3 4.32Å; Y25-F163 VanDerWaalsContact CA-CE1 3.43Å; Y25-M200 HydrophobicContact CD2-CE 4.5Å; Y25-M200 HydrophobicContact CE2-CE 3.87Å; Y25-L203 HydrophobicContact CD2-CB 4.24Å; Y25-L203 HydrophobicContact CD2-CD1 4.14Å; Y25-L203 HydrophobicContact CD2-CD2 3.97Å; Y25-L203 HydrophobicContact CD2-CG 4.34Å; Y25-L203 HydrophobicContact CE2-CB 4.21Å; Y25-L203 HydrophobicContact CE2-CD2 4.36Å
26V95.8Very high79.4Confident39 Ų3986.7 Ų86.724%0.23645%0.452CS..G310 helixtrans-93.6-3.3172.4-55.40000112.9K23 Q24 D202 L203 I206K23-V26 HydrophobicContact CB-CG1 4.3Å; K23-V26 HydrophobicContact CB-CG2 4.01Å; K23-V26 WeakPolarHBondContact O-CG2 3.38Å; K23-V26 PolarHBondContact O-N 3.05Å; K23-V26 VanDerWaalsContact O-N 3.09Å; Q24-V26 PolarHBondContact O-N 3.31Å; V26-D202 HydrophobicContact CG1-CB 4.41Å; V26-L203 HydrophobicContact CG1-CB 4.32Å; V26-I206 HydrophobicContact CB-CD1 4.02Å
27E95.3Very high81Confident41 Ų4182.8 Ų82.819%0.19244%0.441CS..SBendtrans-69.4137.9-178-59.5-170.9-14600111.2K22 Q24 E29 F30 T31K22-E27 WeakPolarHBondContact CD-OE1 3.29Å; K22-E27 WeakPolarHBondContact CE-OE1 3.34Å; K22-E27 IonicContact NZ-OE1 2.73Å; K22-E27 PolarHBondContact NZ-OE1 3.37Å; K22-E27 IonicContact NZ-OE2 2.73Å; K22-E27 PolarHBondContact NZ-OE2 2.84Å; Q24-E27 WeakPolarHBondContact O-CB 3.49Å; Q24-E27 WeakPolarHBondContact O-CG 3.36Å; Q24-E27 PolarHBondContact O-N 3.23Å; E27-E29 HydrophobicContact CB-CG 4.29Å; E27-E29 PolarHBondContact O-N 2.9Å; E27-F30 HydrophobicContact CB-CD2 4Å; E27-F30 HydrophobicContact CB-CE2 4.32Å; E27-F30 PolarHBondContact O-N 3.28Å; E27-T31 PolarHBondContact O-N 2.99Å; E27-T31 VanDerWaalsContact O-N 3.13Å; E27-T31 PolarHBondContact O-OG1 3.32Å
28P93.2Very high82.3Confident102 Ų10283.4 Ų83.466%0.66243%0.433SS*.Hα-helixtrans-56.1-27.3-175.8-28.635.4000114.9F30 T31 K32P28-F30 PolarHBondContact O-N 3.07Å; P28-T31 WeakPolarHBondContact CA-OG1 3.43Å; P28-K32 WeakPolarHBondContact O-CB 3.33Å; P28-K32 WeakPolarHBondContact O-CD 3.45Å; P28-K32 VanDerWaalsContact O-CG 3.31Å; P28-K32 WeakPolarHBondContact O-CG 3.43Å; P28-K32 PolarHBondContact O-N 3.13Å
29E94.4Very high83.8Confident102 Ų10281.7 Ų81.748%0.47742%0.417SS..Hα-helixtrans-64.1-30.7177.969.1-178.3141.200112.8E27 K32 I33E27-E29 HydrophobicContact CB-CG 4.29Å; E27-E29 PolarHBondContact O-N 2.9Å; E29-K32 VanDerWaalsContact O-CE 3.31Å; E29-K32 WeakPolarHBondContact O-CE 3.36Å; E29-I33 WeakPolarHBondContact O-CD1 3.29Å
30F95.6Very high85.4Confident19 Ų1978.3 Ų78.38%0.08339%0.385CS..Hα-helixtrans-97.5-37.3179.8-54.9-66.8000112.7Q24 E27 P28 K32 I33 F163 V167 N176Q24-F30 HydrophobicContact CG-CD2 4.03Å; Q24-F30 HydrophobicContact CG-CE2 3.42Å; Q24-F30 VanDerWaalsContact CG-CE2 3.42Å; Q24-F30 HydrophobicContact CG-CZ 4.11Å; Q24-F30 WeakPolarHBondContact O-CD2 3.48Å; E27-F30 HydrophobicContact CB-CD2 4Å; E27-F30 HydrophobicContact CB-CE2 4.32Å; E27-F30 PolarHBondContact O-N 3.28Å; P28-F30 PolarHBondContact O-N 3.07Å; F30-K32 VanDerWaalsContact C-N 3.27Å; F30-K32 PolarHBondContact O-N 3.48Å; F30-I33 PolarHBondContact O-N 2.87Å; F30-F163 HydrophobicContact CB-CE1 4.08Å; F30-F163 HydrophobicContact CB-CZ 3.76Å; F30-F163 HydrophobicContact CD1-CE1 4.19Å; F30-F163 HydrophobicContact CD1-CZ 4.41Å; F30-F163 AromaticContact CD2-CE1 3.92Å; F30-F163 HydrophobicContact CD2-CE1 3.92Å; F30-F163 HydrophobicContact CD2-CZ 4.47Å; F30-F163 HydrophobicContact CE2-CE1 4.49Å; F30-F163 AromaticContact CG-CE1 3.78Å; F30-F163 HydrophobicContact CG-CE1 3.78Å; F30-F163 AromaticContact CG-CZ 3.96Å; F30-F163 HydrophobicContact CG-CZ 3.96Å; F30-V167 HydrophobicContact CD1-CG1 4.31Å; F30-V167 HydrophobicContact CD1-CG2 3.77Å; F30-V167 HydrophobicContact CE1-CB 4.43Å; F30-V167 HydrophobicContact CE1-CG1 3.69Å; F30-V167 HydrophobicContact CE1-CG2 3.81Å; F30-N176 PolarHBondContact O-ND2 3.31Å
31T93.6Very high86.6Confident14 Ų1475.8 Ų75.89%0.08637%0.371CS..Hα-helixtrans-72.4-19.7-175.354.20000113.7Y25 E27 P28 I33 L203 I206 L207Y25-T31 WeakPolarHBondContact O-CG2 3.42Å; E27-T31 PolarHBondContact O-N 2.99Å; E27-T31 VanDerWaalsContact O-N 3.13Å; E27-T31 PolarHBondContact O-OG1 3.32Å; P28-T31 WeakPolarHBondContact CA-OG1 3.43Å; T31-I33 VanDerWaalsContact C-N 3.26Å; T31-I33 PolarHBondContact O-N 2.83Å; T31-L203 HydrophobicContact CG2-CD1 4.17Å; T31-I206 HydrophobicContact CG2-CG2 3.9Å; T31-L207 HydrophobicContact CG2-CD2 4.38Å
32K90.6Very high87.7Confident154 Ų15476.9 Ų76.967%0.6738%0.376SS*.THydrogen-bonded Turntrans-73.8-14172.673.3-175.1-178.7-179.40113.8P28 E29 F30P28-K32 WeakPolarHBondContact O-CB 3.33Å; P28-K32 WeakPolarHBondContact O-CD 3.45Å; P28-K32 VanDerWaalsContact O-CG 3.31Å; P28-K32 WeakPolarHBondContact O-CG 3.43Å; P28-K32 PolarHBondContact O-N 3.13Å; E29-K32 VanDerWaalsContact O-CE 3.31Å; E29-K32 WeakPolarHBondContact O-CE 3.36Å; F30-K32 VanDerWaalsContact C-N 3.27Å; F30-K32 PolarHBondContact O-N 3.48Å
33I91.8Very high88.1Confident66 Ų6673.2 Ų73.234%0.33836%0.364SS..  trans-95.8118.9-173.5-58.7176.2000108.4E29 F30 T31 H172 G173 N176E29-I33 WeakPolarHBondContact O-CD1 3.29Å; F30-I33 PolarHBondContact O-N 2.87Å; T31-I33 VanDerWaalsContact C-N 3.26Å; T31-I33 PolarHBondContact O-N 2.83Å; I33-H172 WeakPolarHBondContact CD1-NE2 3.5Å; I33-G173 WeakPolarHBondContact O-CA 3.3Å; I33-N176 PolarHBondContact O-ND2 3.18Å
34R87.6Confident88.2Confident54 Ų5470.6 Ų70.620%0.20435%0.352CS..  trans-143.5156175.5-70.4-171.8-64.5-140.1-2.6108.5V36 D37 N176 T177 L207R34-V36 PolarHBondContact O-N 3.42Å; R34-D37 IonicContact CZ-OD1 2.69Å; R34-D37 IonicContact NE-OD1 2.99Å; R34-D37 IonicContact NH2-OD1 3.46Å; R34-D37 PolarHBondContact NH2-OD1 3.2Å; R34-N176 HydrophobicContact CG-CB 3.97Å; R34-T177 WeakPolarHBondContact CB-OG1 3.4Å; R34-L207 PolarHBondContact NH1-O 2.89Å
35V87.8Confident88.3Confident76 Ų7672 Ų7246%0.46136%0.364SS..SBendtrans-62.6-30.6177.5-176.10000110.9H174 T177V35-H174 HydrophobicContact CG2-CB 4.34Å; V35-H174 VanDerWaalsContact CG2-ND1 3.34Å; V35-H174 WeakPolarHBondContact CG2-ND1 3.26Å; V35-T177 PolarHBondContact N-OG1 3.31Å
36V78.8Confident88.4Confident54 Ų5474.6 Ų74.633%0.32738%0.378SS..  trans-158.2143.7-169.3-78.50000110.1R34 F38 T177R34-V36 PolarHBondContact O-N 3.42Å; V36-F38 HydrophobicContact CB-CD2 3.5Å; V36-F38 VanDerWaalsContact CB-CD2 3.5Å; V36-F38 HydrophobicContact CB-CE2 3.25Å; V36-F38 HydrophobicContact CB-CG 4.31Å; V36-F38 HydrophobicContact CB-CZ 3.83Å; V36-F38 HydrophobicContact CG1-CD2 4.25Å; V36-F38 HydrophobicContact CG1-CE2 3.48Å; V36-F38 VanDerWaalsContact CG1-CE2 3.48Å; V36-F38 HydrophobicContact CG1-CZ 3.73Å; V36-F38 HydrophobicContact CG2-CD2 3.26Å; V36-F38 HydrophobicContact CG2-CE2 3.22Å; V36-F38 HydrophobicContact CG2-CG 4.37Å; V36-F38 HydrophobicContact CG2-CZ 4.27Å; V36-T177 HydrophobicContact CG2-CG2 4.05Å
37D73.3Confident88.4Confident111 Ų11174.9 Ų74.959%0.59438%0.38SS*.  trans-98.797.1168.7-73.1-45.2000108.9R34 V211R34-D37 IonicContact CZ-OD1 2.69Å; R34-D37 IonicContact NE-OD1 2.99Å; R34-D37 IonicContact NH2-OD1 3.46Å; R34-D37 PolarHBondContact NH2-OD1 3.2Å; D37-V211 HydrophobicContact CB-CG2 4.48Å
38F73.4Confident88.3Confident123 Ų12384.3 Ų84.354%0.53941%0.414SS..  trans-117.5156.5174.9-65.5-55.9000110.7V36 L40 L43V36-F38 HydrophobicContact CB-CD2 3.5Å; V36-F38 VanDerWaalsContact CB-CD2 3.5Å; V36-F38 HydrophobicContact CB-CE2 3.25Å; V36-F38 HydrophobicContact CB-CG 4.31Å; V36-F38 HydrophobicContact CB-CZ 3.83Å; V36-F38 HydrophobicContact CG1-CD2 4.25Å; V36-F38 HydrophobicContact CG1-CE2 3.48Å; V36-F38 VanDerWaalsContact CG1-CE2 3.48Å; V36-F38 HydrophobicContact CG1-CZ 3.73Å; V36-F38 HydrophobicContact CG2-CD2 3.26Å; V36-F38 HydrophobicContact CG2-CE2 3.22Å; V36-F38 HydrophobicContact CG2-CG 4.37Å; V36-F38 HydrophobicContact CG2-CZ 4.27Å; F38-L40 PolarHBondContact O-N 2.89Å; F38-L40 VanDerWaalsContact O-N 3.08Å; F38-L43 HydrophobicContact CB-CD1 4.3Å; F38-L43 HydrophobicContact CD2-CD1 4.47Å
39D80.8Confident88.4Confident84 Ų8487.4 Ų87.445%0.44942%0.42SS..  trans-70.6102.4160.6-170-16.8000108.4K41 E42D39-K41 PolarHBondContact O-N 3.05Å; D39-K41 VanDerWaalsContact O-N 3.13Å; D39-K41 WeakPolarHBondContact OD1-CB 3.14Å; D39-K41 PolarHBondContact OD1-N 3.4Å; D39-E42 HydrophobicContact CB-CB 4.47Å; D39-E42 HydrophobicContact CB-CG 4.02Å; D39-E42 PolarHBondContact O-N 3.18Å; D39-E42 VanDerWaalsContact O-N 3.11Å
40L81.9Confident88.5Confident24 Ų2486 Ų8613%0.12642%0.415CS..Hα-helixtrans-58.5-25.6-178.7-65.7169.4000112.5F38 L43 A180 H181 V184F38-L40 PolarHBondContact O-N 2.89Å; F38-L40 VanDerWaalsContact O-N 3.08Å; L40-L43 HydrophobicContact CD2-CD1 4.3Å; L40-L43 PolarHBondContact O-N 2.97Å; L40-A180 HydrophobicContact CD1-CB 3.53Å; L40-A180 HydrophobicContact CD2-CB 4.36Å; L40-H181 HydrophobicContact CD2-CB 4.47Å; L40-V184 HydrophobicContact CB-CB 4.3Å; L40-V184 HydrophobicContact CB-CG1 4.28Å; L40-V184 HydrophobicContact CB-CG2 3.88Å; L40-V184 HydrophobicContact CD1-CG2 4.1Å
41K84.2Confident88.5Confident140 Ų14089.1 Ų89.161%0.60943%0.433SS*.Hα-helixtrans-68.3-41.4177.7-71.4-169.3174.5-172.60111.4D39 L43 V44 V45 V184D39-K41 PolarHBondContact O-N 3.05Å; D39-K41 VanDerWaalsContact O-N 3.13Å; D39-K41 WeakPolarHBondContact OD1-CB 3.14Å; D39-K41 PolarHBondContact OD1-N 3.4Å; K41-L43 PolarHBondContact O-N 3.29Å; K41-V44 WeakPolarHBondContact O-CG2 3.38Å; K41-V44 PolarHBondContact O-N 3.11Å; K41-V44 VanDerWaalsContact O-N 3.15Å; K41-V45 WeakPolarHBondContact O-CG2 3.35Å; K41-V45 PolarHBondContact O-N 3.46Å; K41-V184 HydrophobicContact CG-CG1 4.45Å
42E87.3Confident88.6Confident153 Ų15391.3 Ų91.372%0.71544%0.443SS*.Hα-helixtrans-62.3-27.2-180-65.2-171.2161.800112.4D39 V44D39-E42 HydrophobicContact CB-CB 4.47Å; D39-E42 HydrophobicContact CB-CG 4.02Å; D39-E42 PolarHBondContact O-N 3.18Å; D39-E42 VanDerWaalsContact O-N 3.11Å; E42-V44 VanDerWaalsContact C-N 3.34Å; E42-V44 PolarHBondContact O-N 3.19Å
43L85.9Confident89Confident71 Ų7185.7 Ų85.737%0.37242%0.421SS..Hα-helixtrans-71.8-25178.9-63.1178.8000113.8F38 L40 K41F38-L43 HydrophobicContact CB-CD1 4.3Å; F38-L43 HydrophobicContact CD2-CD1 4.47Å; L40-L43 HydrophobicContact CD2-CD1 4.3Å; L40-L43 PolarHBondContact O-N 2.97Å; K41-L43 PolarHBondContact O-N 3.29Å
44V93.4Very high89.2Confident0 Ų087 Ų870%043%0.425CS..Hα-helixtrans-106.9-14.1-170.4-55.90000114K41 E42 L46 W55 V184 F185 E188 F189K41-V44 WeakPolarHBondContact O-CG2 3.38Å; K41-V44 PolarHBondContact O-N 3.11Å; K41-V44 VanDerWaalsContact O-N 3.15Å; E42-V44 VanDerWaalsContact C-N 3.34Å; E42-V44 PolarHBondContact O-N 3.19Å; V44-L46 PolarHBondContact O-N 3.25Å; V44-W55 PolarHBondContact O-NE1 3.25Å; V44-V184 HydrophobicContact CB-CG1 4.49Å; V44-V184 HydrophobicContact CG1-CB 4.5Å; V44-V184 HydrophobicContact CG1-CG1 4.02Å; V44-V184 HydrophobicContact CG2-CG1 3.65Å; V44-F185 HydrophobicContact CB-CB 4.44Å; V44-F185 HydrophobicContact CB-CD2 4.16Å; V44-F185 HydrophobicContact CG1-CB 3.79Å; V44-F185 HydrophobicContact CG1-CD2 4.15Å; V44-F185 HydrophobicContact CG1-CG 4.5Å; V44-E188 HydrophobicContact CG2-CB 3.94Å; V44-E188 HydrophobicContact CG2-CG 4.01Å; V44-F189 VanDerWaalsContact O-CE2 3.29Å; V44-F189 WeakPolarHBondContact O-CE2 3.33Å; V44-F189 WeakPolarHBondContact O-CZ 3.47Å
45V94.6Very high89.7Confident79 Ų7986.4 Ų86.448%0.47942%0.423SS..SBendtrans-56.5128.9179.9171.50000109.9K41 P47K41-V45 WeakPolarHBondContact O-CG2 3.35Å; K41-V45 PolarHBondContact O-N 3.46Å; V45-P47 WeakPolarHBondContact O-CD 3.4Å
46L96.7Very high90.2Very high60 Ų6083 Ų8331%0.31440%0.402SS..PPolyproline II helixtrans-63.3117.7172.8177.964000110.1V44 I50 L52 W55 F189V44-L46 PolarHBondContact O-N 3.25Å; L46-I50 HydrophobicContact CD1-CB 4.42Å; L46-I50 HydrophobicContact CD1-CG2 4.42Å; L46-L52 HydrophobicContact CD2-CB 4.27Å; L46-L52 HydrophobicContact CD2-CD1 4.22Å; L46-W55 HydrophobicContact CD1-CB 3.44Å; L46-W55 VanDerWaalsContact CD1-CB 3.44Å; L46-W55 HydrophobicContact CD1-CD2 4.42Å; L46-W55 HydrophobicContact CD1-CG 3.61Å; L46-F189 HydrophobicContact CB-CE1 4.23Å; L46-F189 HydrophobicContact CB-CZ 4.17Å
47P96.1Very high91.2Very high45 Ų4580.8 Ų80.829%0.29239%0.39SS..PPolyproline II helixtrans-66.5145.7175.1-23.438.3000111.4V45 E49 I50 W55V45-P47 WeakPolarHBondContact O-CD 3.4Å; P47-E49 PolarHBondContact O-N 3.06Å; P47-E49 VanDerWaalsContact O-N 3.14Å; P47-I50 HydrophobicContact CB-CB 4.35Å; P47-I50 HydrophobicContact CB-CD1 3.88Å; P47-I50 HydrophobicContact CB-CG1 3.98Å; P47-I50 HydrophobicContact CG-CD1 3.74Å; P47-I50 HydrophobicContact CG-CG1 4.34Å; P47-I50 PolarHBondContact O-N 3.15Å; P47-I50 VanDerWaalsContact O-N 3.11Å; P47-W55 HydrophobicContact CG-CZ3 4.36Å
48R93.2Very high92.3Very high239 Ų23978.9 Ų78.990%0.90239%0.385SS*.THydrogen-bonded Turntrans-59.8-31.3-169.6-70.5-179.3-179.5-170.60.4113.9
49E95.3Very high93.5Very high167 Ų16773.6 Ų73.678%0.7836%0.363SS*.THydrogen-bonded Turntrans-96.6-0.5-175.1-58.773.6-158.100113.1P47P47-E49 PolarHBondContact O-N 3.06Å; P47-E49 VanDerWaalsContact O-N 3.14Å
50I95.8Very high94.4Very high73 Ų7369.6 Ų69.637%0.37434%0.341SS..SBendtrans-101.7134.3-178-61.2-174.3000109.5L46 P47 E54 W55L46-I50 HydrophobicContact CD1-CB 4.42Å; L46-I50 HydrophobicContact CD1-CG2 4.42Å; P47-I50 HydrophobicContact CB-CB 4.35Å; P47-I50 HydrophobicContact CB-CD1 3.88Å; P47-I50 HydrophobicContact CB-CG1 3.98Å; P47-I50 HydrophobicContact CG-CD1 3.74Å; P47-I50 HydrophobicContact CG-CG1 4.34Å; P47-I50 PolarHBondContact O-N 3.15Å; P47-I50 VanDerWaalsContact O-N 3.11Å; I50-E54 HydrophobicContact CG2-CB 4.29Å; I50-W55 HydrophobicContact CD1-CE3 4.3Å; I50-W55 HydrophobicContact CD1-CZ3 4.47Å; I50-W55 HydrophobicContact CG2-CB 4.05Å; I50-W55 HydrophobicContact CG2-CE3 4.41Å
51D95.8Very high95.1Very high85 Ų8570.3 Ų70.346%0.45535%0.347SS..  trans-64.7142.2172.1174.7-100.8000111.3N53 E54 W55D51-N53 VanDerWaalsContact C-N 3.33Å; D51-N53 PolarHBondContact O-N 3.17Å; D51-N53 WeakPolarHBondContact OD1-CA 3.4Å; D51-N53 VanDerWaalsContact OD1-CB 3.3Å; D51-N53 WeakPolarHBondContact OD1-CB 3.13Å; D51-N53 PolarHBondContact OD1-N 3.13Å; D51-E54 HydrophobicContact CB-CB 4.17Å; D51-E54 HydrophobicContact CB-CG 3.93Å; D51-E54 PolarHBondContact O-N 3.37Å; D51-E54 PolarHBondContact OD1-N 3.11Å; D51-W55 PolarHBondContact O-N 2.61Å
52L97.3Very high95.8Very high59 Ų5966.5 Ų66.531%0.30934%0.335SS..Hα-helixtrans-59.1-43.7-178.4173.462.2000111.9L46 W55 L56 F189L46-L52 HydrophobicContact CD2-CB 4.27Å; L46-L52 HydrophobicContact CD2-CD1 4.22Å; L52-W55 PolarHBondContact O-N 3.08Å; L52-L56 HydrophobicContact CD1-CD1 4.16Å; L52-L56 HydrophobicContact CD1-CD2 4.49Å; L52-L56 HydrophobicContact CD1-CG 4.03Å; L52-L56 HydrophobicContact CG-CD1 4.15Å; L52-L56 HydrophobicContact CG-CG 4.38Å; L52-L56 WeakPolarHBondContact O-CB 3.29Å; L52-L56 VanDerWaalsContact O-CG 3.29Å; L52-L56 WeakPolarHBondContact O-CG 3.38Å; L52-L56 PolarHBondContact O-N 2.97Å; L52-F189 HydrophobicContact CD1-CD1 3.76Å; L52-F189 HydrophobicContact CD1-CE1 3.71Å
53N97.7Very high96.4Very high37 Ų3759.2 Ų59.220%0.19830%0.301CS..Hα-helixtrans-71-35.9-177-67.9-32.3000111.6D51 W55 L56 A57 F136 F140D51-N53 VanDerWaalsContact C-N 3.33Å; D51-N53 PolarHBondContact O-N 3.17Å; D51-N53 WeakPolarHBondContact OD1-CA 3.4Å; D51-N53 VanDerWaalsContact OD1-CB 3.3Å; D51-N53 WeakPolarHBondContact OD1-CB 3.13Å; D51-N53 PolarHBondContact OD1-N 3.13Å; N53-W55 VanDerWaalsContact C-N 3.34Å; N53-L56 PolarHBondContact O-N 2.81Å; N53-A57 WeakPolarHBondContact O-CB 3.46Å; N53-A57 PolarHBondContact O-N 3.46Å; N53-F136 HydrophobicContact CB-CB 4.15Å; N53-F136 HydrophobicContact CB-CD1 4.01Å; N53-F136 HydrophobicContact CB-CD2 3.39Å; N53-F136 HydrophobicContact CB-CE1 4.26Å; N53-F136 HydrophobicContact CB-CE2 3.69Å; N53-F136 HydrophobicContact CB-CG 3.57Å; N53-F136 HydrophobicContact CB-CZ 4.12Å; N53-F140 HydrophobicContact CB-CD1 3.75Å; N53-F140 HydrophobicContact CB-CE1 3.7Å; N53-F140 WeakPolarHBondContact O-CE1 3.37Å; N53-F140 WeakPolarHBondContact OD1-CD1 3.34Å
54E97.1Very high97Very high92 Ų9255.9 Ų55.943%0.4328%0.283SS..Hα-helixtrans-59.6-45170.5-69.7-68.2177.600111.7I50 D51 A57 S58 F136I50-E54 HydrophobicContact CG2-CB 4.29Å; D51-E54 HydrophobicContact CB-CB 4.17Å; D51-E54 HydrophobicContact CB-CG 3.93Å; D51-E54 PolarHBondContact O-N 3.37Å; D51-E54 PolarHBondContact OD1-N 3.11Å; E54-A57 PolarHBondContact O-N 3.22Å; E54-S58 WeakPolarHBondContact O-CB 3.44Å; E54-S58 PolarHBondContact O-N 3.4Å; E54-F136 HydrophobicContact CG-CE2 3.88Å; E54-F136 HydrophobicContact CG-CZ 4.26Å
55W98Very high97.2Very high43 Ų4359.8 Ų59.816%0.16330%0.304CS..Hα-helixtrans-63.2-45.2177.6-171.8-118.5000112V44 L46 P47 I50 D51 L52 N53 N59 F189V44-W55 PolarHBondContact O-NE1 3.25Å; L46-W55 HydrophobicContact CD1-CB 3.44Å; L46-W55 VanDerWaalsContact CD1-CB 3.44Å; L46-W55 HydrophobicContact CD1-CD2 4.42Å; L46-W55 HydrophobicContact CD1-CG 3.61Å; P47-W55 HydrophobicContact CG-CZ3 4.36Å; I50-W55 HydrophobicContact CD1-CE3 4.3Å; I50-W55 HydrophobicContact CD1-CZ3 4.47Å; I50-W55 HydrophobicContact CG2-CB 4.05Å; I50-W55 HydrophobicContact CG2-CE3 4.41Å; D51-W55 PolarHBondContact O-N 2.61Å; L52-W55 PolarHBondContact O-N 3.08Å; N53-W55 VanDerWaalsContact C-N 3.34Å; W55-N59 VanDerWaalsContact CD2-ND2 3.28Å; W55-N59 WeakPolarHBondContact CZ2-ND2 3.47Å; W55-N59 WeakPolarHBondContact O-CB 3.39Å; W55-N59 PolarHBondContact O-N 3.44Å; W55-N59 VanDerWaalsContact O-N 3.14Å; W55-N59 PolarHBondContact O-ND2 2.87Å; W55-F189 AromaticContact CD1-CE2 3.77Å; W55-F189 AromaticContact CD1-CZ 3.37Å; W55-F189 AromaticContact NE1-CE2 3.66Å; W55-F189 AromaticContact NE1-CZ 3.49Å
56L98.5Very high97.4Very high3 Ų359.5 Ų59.52%0.01630%0.3CS..Hα-helixtrans-63-42.3175.5-70-178.7000111.6L52 N53 T60 F140 E141 V144 F185 F189 L191L52-L56 HydrophobicContact CD1-CD1 4.16Å; L52-L56 HydrophobicContact CD1-CD2 4.49Å; L52-L56 HydrophobicContact CD1-CG 4.03Å; L52-L56 HydrophobicContact CG-CD1 4.15Å; L52-L56 HydrophobicContact CG-CG 4.38Å; L52-L56 WeakPolarHBondContact O-CB 3.29Å; L52-L56 VanDerWaalsContact O-CG 3.29Å; L52-L56 WeakPolarHBondContact O-CG 3.38Å; L52-L56 PolarHBondContact O-N 2.97Å; N53-L56 PolarHBondContact O-N 2.81Å; L56-T60 WeakPolarHBondContact O-CB 3.2Å; L56-T60 PolarHBondContact O-N 3.25Å; L56-T60 PolarHBondContact O-OG1 2.95Å; L56-F140 HydrophobicContact CB-CE1 4.01Å; L56-E141 HydrophobicContact CD1-CG 4.26Å; L56-V144 HydrophobicContact CB-CG1 4.47Å; L56-V144 HydrophobicContact CB-CG2 4.44Å; L56-F185 HydrophobicContact CD2-CE1 4.28Å; L56-F185 HydrophobicContact CD2-CZ 3.7Å; L56-F189 HydrophobicContact CD2-CB 4Å; L56-F189 HydrophobicContact CD2-CD1 4.2Å; L56-F189 HydrophobicContact CD2-CD2 4.1Å; L56-F189 HydrophobicContact CD2-CG 3.83Å; L56-L191 HydrophobicContact CD2-CD1 4.16Å; L56-L191 HydrophobicContact CD2-CD2 4.26Å
57A98.3Very high97.5Very high9 Ų956.7 Ų56.77%0.07429%0.285CS..Hα-helixtrans-62.2-50.3-179.900000111.8N53 E54 T60 T61 F128 F136 F140N53-A57 WeakPolarHBondContact O-CB 3.46Å; N53-A57 PolarHBondContact O-N 3.46Å; E54-A57 PolarHBondContact O-N 3.22Å; A57-T60 PolarHBondContact O-N 3.35Å; A57-T61 WeakPolarHBondContact O-CB 3.34Å; A57-T61 PolarHBondContact O-N 3.02Å; A57-T61 PolarHBondContact O-OG1 3.46Å; A57-F128 HydrophobicContact CB-CD1 3.8Å; A57-F128 HydrophobicContact CB-CE1 3.93Å; A57-F136 HydrophobicContact CB-CE1 3.82Å; A57-F136 HydrophobicContact CB-CZ 3.98Å; A57-F140 HydrophobicContact CB-CE2 4.44Å; A57-F140 HydrophobicContact CB-CZ 3.76Å
58S97.5Very high97.6Very high70 Ų7057 Ų5749%0.4928%0.284SS..Hα-helixtrans-63.1-46.7-177.9-172.80000111.6E54 T62E54-S58 WeakPolarHBondContact O-CB 3.44Å; E54-S58 PolarHBondContact O-N 3.4Å; S58-T62 WeakPolarHBondContact O-CB 3.25Å; S58-T62 PolarHBondContact O-N 3.49Å; S58-T62 PolarHBondContact O-OG1 3.41Å
59N98.4Very high97.9Very high13 Ų1351 Ų517%0.0727%0.269CS..Hα-helixtrans-68.8-44.2178.9-78.9-77.1000112.1W55 T61 T62 F63 F185W55-N59 VanDerWaalsContact CD2-ND2 3.28Å; W55-N59 WeakPolarHBondContact CZ2-ND2 3.47Å; W55-N59 WeakPolarHBondContact O-CB 3.39Å; W55-N59 PolarHBondContact O-N 3.44Å; W55-N59 VanDerWaalsContact O-N 3.14Å; W55-N59 PolarHBondContact O-ND2 2.87Å; N59-T61 VanDerWaalsContact C-N 3.34Å; N59-T61 PolarHBondContact O-N 3.12Å; N59-T62 WeakPolarHBondContact O-CB 3.47Å; N59-T62 PolarHBondContact O-N 3.35Å; N59-T62 VanDerWaalsContact O-N 3.15Å; N59-F63 HydrophobicContact CB-CD2 4.38Å; N59-F63 HydrophobicContact CB-CE2 4.06Å; N59-F63 WeakPolarHBondContact O-CD2 3.41Å; N59-F63 WeakPolarHBondContact O-CG 3.44Å; N59-F63 PolarHBondContact O-N 2.92Å; N59-F185 HydrophobicContact CB-CD2 4.07Å; N59-F185 HydrophobicContact CB-CE1 4Å; N59-F185 HydrophobicContact CB-CE2 3.38Å; N59-F185 HydrophobicContact CB-CZ 3.33Å
60T98.6Very high98.1Very high0 Ų043.7 Ų43.70%024%0.235CC..Hα-helixtrans-60.3-43.6178.5-60.10000111.8L56 A57 T62 F63 F64 F128 V144 I147L56-T60 WeakPolarHBondContact O-CB 3.2Å; L56-T60 PolarHBondContact O-N 3.25Å; L56-T60 PolarHBondContact O-OG1 2.95Å; A57-T60 PolarHBondContact O-N 3.35Å; T60-T62 VanDerWaalsContact C-N 3.34Å; T60-F63 PolarHBondContact O-N 3Å; T60-F64 WeakPolarHBondContact O-CB 3.11Å; T60-F64 PolarHBondContact O-N 3.1Å; T60-F128 HydrophobicContact CG2-CZ 4.47Å; T60-V144 WeakPolarHBondContact OG1-CG1 3.35Å; T60-I147 HydrophobicContact CG2-CB 4.04Å; T60-I147 HydrophobicContact CG2-CD1 4.15Å; T60-I147 HydrophobicContact CG2-CG2 3.5Å; T60-I147 VanDerWaalsContact CG2-CG2 3.5Å
61T98.4Very high98.2Very high39 Ų3940.7 Ų40.724%0.23922%0.219CC..Hα-helixtrans-62.8-42.8175.5-56.60000111.1A57 N59 F64 N65A57-T61 WeakPolarHBondContact O-CB 3.34Å; A57-T61 PolarHBondContact O-N 3.02Å; A57-T61 PolarHBondContact O-OG1 3.46Å; N59-T61 VanDerWaalsContact C-N 3.34Å; N59-T61 PolarHBondContact O-N 3.12Å; T61-F64 PolarHBondContact O-N 3.03Å; T61-N65 VanDerWaalsContact O-CG 3.32Å; T61-N65 PolarHBondContact O-N 3.04Å; T61-N65 PolarHBondContact O-ND2 3.49Å
62T98.4Very high98.3Very high59 Ų5939.5 Ų39.536%0.36222%0.217SC..Hα-helixtrans-60.5-49176-59.90000111.5S58 N59 T60 F64 N65 L66S58-T62 WeakPolarHBondContact O-CB 3.25Å; S58-T62 PolarHBondContact O-N 3.49Å; S58-T62 PolarHBondContact O-OG1 3.41Å; N59-T62 WeakPolarHBondContact O-CB 3.47Å; N59-T62 PolarHBondContact O-N 3.35Å; N59-T62 VanDerWaalsContact O-N 3.15Å; T60-T62 VanDerWaalsContact C-N 3.34Å; T62-F64 PolarHBondContact O-N 3.04Å; T62-N65 PolarHBondContact O-N 3.14Å; T62-L66 HydrophobicContact CG2-CD1 3.81Å; T62-L66 HydrophobicContact CG2-CG 4.33Å; T62-L66 WeakPolarHBondContact O-CG 3.45Å; T62-L66 PolarHBondContact O-N 3.14Å
63F98.8Very high98.4Very high0 Ų038.9 Ų38.90%022%0.216CC..Hα-helixtrans-62.8-41.8177.8-70.2-56.9000112.7N59 T60 N65 L66 I67 L151 L178 H181 F182 F185N59-F63 HydrophobicContact CB-CD2 4.38Å; N59-F63 HydrophobicContact CB-CE2 4.06Å; N59-F63 WeakPolarHBondContact O-CD2 3.41Å; N59-F63 WeakPolarHBondContact O-CG 3.44Å; N59-F63 PolarHBondContact O-N 2.92Å; T60-F63 PolarHBondContact O-N 3Å; F63-N65 VanDerWaalsContact C-N 3.35Å; F63-N65 PolarHBondContact O-N 3.28Å; F63-L66 PolarHBondContact O-N 2.88Å; F63-I67 HydrophobicContact CB-CD1 4.35Å; F63-I67 VanDerWaalsContact O-CB 3.29Å; F63-I67 WeakPolarHBondContact O-CB 3.41Å; F63-I67 WeakPolarHBondContact O-CD1 3.4Å; F63-I67 WeakPolarHBondContact O-CG1 3.41Å; F63-I67 PolarHBondContact O-N 3.11Å; F63-L151 HydrophobicContact CB-CD1 4.27Å; F63-L178 HydrophobicContact CD1-CD1 3.98Å; F63-L178 HydrophobicContact CE1-CD1 4.49Å; F63-H181 HydrophobicContact CE1-CB 4.23Å; F63-H181 AromaticContact CE1-CE1 3.85Å; F63-H181 AromaticContact CE1-CG 3.76Å; F63-H181 AromaticContact CE1-ND1 3.47Å; F63-H181 WeakPolarHBondContact CE1-ND1 3.33Å; F63-H181 AromaticContact CZ-CD2 3.86Å; F63-H181 AromaticContact CZ-CE1 3.6Å; F63-H181 AromaticContact CZ-CG 3.81Å; F63-H181 AromaticContact CZ-ND1 3.66Å; F63-H181 AromaticContact CZ-NE2 3.72Å; F63-F182 HydrophobicContact CB-CD2 3.93Å; F63-F182 HydrophobicContact CB-CE2 4.28Å; F63-F182 HydrophobicContact CD1-CB 4Å; F63-F182 AromaticContact CD1-CD2 3.74Å; F63-F182 HydrophobicContact CD1-CD2 3.74Å; F63-F182 HydrophobicContact CD1-CG 4.38Å; F63-F182 AromaticContact CD2-CD2 3.91Å; F63-F182 HydrophobicContact CD2-CD2 3.91Å; F63-F182 HydrophobicContact CD2-CE2 4.44Å; F63-F182 HydrophobicContact CE1-CB 3.83Å; F63-F182 HydrophobicContact CE1-CD2 4.19Å; F63-F182 HydrophobicContact CE2-CD2 4.36Å; F63-F182 AromaticContact CG-CD2 3.6Å; F63-F182 HydrophobicContact CG-CD2 3.6Å; F63-F182 HydrophobicContact CG-CE2 4.29Å; F63-F182 HydrophobicContact CZ-CB 4.38Å; F63-F182 HydrophobicContact CZ-CD2 4.49Å; F63-F185 HydrophobicContact CD2-CD1 4.15Å; F63-F185 HydrophobicContact CD2-CE1 4.47Å; F63-F185 HydrophobicContact CE2-CB 3.78Å; F63-F185 AromaticContact CE2-CD1 3.49Å; F63-F185 HydrophobicContact CE2-CD1 3.49Å; F63-F185 VanDerWaalsContact CE2-CD1 3.49Å; F63-F185 HydrophobicContact CE2-CD2 4.19Å; F63-F185 HydrophobicContact CE2-CE1 4.08Å; F63-F185 AromaticContact CE2-CG 3.55Å; F63-F185 HydrophobicContact CE2-CG 3.55Å; F63-F185 HydrophobicContact CZ-CB 3.84Å; F63-F185 HydrophobicContact CZ-CD1 4.4Å; F63-F185 HydrophobicContact CZ-CG 4.1Å
64F98.8Very high98.4Very high1 Ų137.1 Ų37.10%0.00421%0.207CC..Hα-helixtrans-54.9-51.6173.5162.2-109.6000111T60 T61 T62 L66 I67 N68 M115 C118 Q119 V122 L151T60-F64 WeakPolarHBondContact O-CB 3.11Å; T60-F64 PolarHBondContact O-N 3.1Å; T61-F64 PolarHBondContact O-N 3.03Å; T62-F64 PolarHBondContact O-N 3.04Å; F64-L66 PolarHBondContact O-N 2.95Å; F64-I67 PolarHBondContact O-N 2.9Å; F64-N68 HydrophobicContact CE2-CB 4.39Å; F64-N68 WeakPolarHBondContact O-CB 3.2Å; F64-N68 PolarHBondContact O-N 3.14Å; F64-M115 HydrophobicContact CD2-SD 4.3Å; F64-M115 HydrophobicContact CE2-CB 4.48Å; F64-M115 HydrophobicContact CE2-SD 3.97Å; F64-C118 HydrophobicContact CD2-CB 3.43Å; F64-C118 VanDerWaalsContact CD2-CB 3.43Å; F64-C118 HydrophobicContact CE2-CB 3.68Å; F64-C118 HydrophobicContact CG-CB 4.18Å; F64-Q119 HydrophobicContact CE1-CB 4.38Å; F64-Q119 HydrophobicContact CZ-CB 3.78Å; F64-Q119 HydrophobicContact CZ-CG 4.44Å; F64-V122 HydrophobicContact CD1-CG2 3.91Å; F64-V122 HydrophobicContact CE1-CG2 4.06Å; F64-L151 HydrophobicContact CB-CD1 4.15Å; F64-L151 HydrophobicContact CD2-CD2 4.33Å
65N98.8Very high98.4Very high82 Ų8235.4 Ų35.444%0.43921%0.205SC..Hα-helixtrans-62.1-44.9-179.2-70.1-28.4000112.4T61 T62 F63 L69T61-N65 VanDerWaalsContact O-CG 3.32Å; T61-N65 PolarHBondContact O-N 3.04Å; T61-N65 PolarHBondContact O-ND2 3.49Å; T62-N65 PolarHBondContact O-N 3.14Å; F63-N65 VanDerWaalsContact C-N 3.35Å; F63-N65 PolarHBondContact O-N 3.28Å; N65-L69 WeakPolarHBondContact O-CB 3.37Å; N65-L69 PolarHBondContact O-N 3.39Å
66L98.6Very high98.4Very high74 Ų7440.3 Ų40.339%0.38723%0.23SC..Hα-helixtrans-68.4-40.5-178.8-68.6175.5000112.3T62 F63 F64 L69 Q70 L178T62-L66 HydrophobicContact CG2-CD1 3.81Å; T62-L66 HydrophobicContact CG2-CG 4.33Å; T62-L66 WeakPolarHBondContact O-CG 3.45Å; T62-L66 PolarHBondContact O-N 3.14Å; F63-L66 PolarHBondContact O-N 2.88Å; F64-L66 PolarHBondContact O-N 2.95Å; L66-L69 PolarHBondContact O-N 2.97Å; L66-Q70 VanDerWaalsContact O-CB 3.31Å; L66-Q70 WeakPolarHBondContact O-CB 3.23Å; L66-Q70 PolarHBondContact O-N 3.33Å; L66-L178 HydrophobicContact CB-CD1 3.59Å; L66-L178 HydrophobicContact CB-CD2 3.98Å; L66-L178 HydrophobicContact CB-CG 4.43Å; L66-L178 HydrophobicContact CD1-CD1 3.87Å; L66-L178 HydrophobicContact CG-CD1 4.4Å
67I98.8Very high98.4Very high0 Ų043.8 Ų43.80%025%0.245CC..Hα-helixtrans-71.3-38.2178.1-64.4167.2000110.4F63 F64 Q70 Y71 M115 L151 V154 L155 L178 F182F63-I67 HydrophobicContact CB-CD1 4.35Å; F63-I67 VanDerWaalsContact O-CB 3.29Å; F63-I67 WeakPolarHBondContact O-CB 3.41Å; F63-I67 WeakPolarHBondContact O-CD1 3.4Å; F63-I67 WeakPolarHBondContact O-CG1 3.41Å; F63-I67 PolarHBondContact O-N 3.11Å; F64-I67 PolarHBondContact O-N 2.9Å; I67-Q70 PolarHBondContact O-N 2.66Å; I67-Y71 WeakPolarHBondContact O-CB 3.34Å; I67-Y71 PolarHBondContact O-N 3.24Å; I67-M115 HydrophobicContact CG2-CE 4.22Å; I67-L151 HydrophobicContact CB-CD2 4.34Å; I67-L151 HydrophobicContact CD1-CB 3.69Å; I67-L151 HydrophobicContact CD1-CD1 4.21Å; I67-L151 HydrophobicContact CD1-CD2 4.23Å; I67-L151 HydrophobicContact CD1-CG 4.25Å; I67-L151 HydrophobicContact CG2-CD2 4.29Å; I67-V154 HydrophobicContact CG2-CB 4.01Å; I67-V154 HydrophobicContact CG2-CG1 3.84Å; I67-L155 HydrophobicContact CD1-CD1 3.63Å; I67-L155 HydrophobicContact CD1-CD2 4.42Å; I67-L155 HydrophobicContact CD1-CG 3.89Å; I67-L155 HydrophobicContact CG1-CD1 4.15Å; I67-L155 HydrophobicContact CG1-CD2 4.06Å; I67-L155 HydrophobicContact CG1-CG 4.04Å; I67-L155 HydrophobicContact CG2-CG 4.36Å; I67-L178 HydrophobicContact CG1-CD1 4.24Å; I67-L178 HydrophobicContact CG1-CD2 3.8Å; I67-L178 HydrophobicContact CG1-CG 4.21Å; I67-F182 HydrophobicContact CD1-CD2 4.25Å; I67-F182 HydrophobicContact CD1-CE2 4.41Å
68N98.6Very high98.4Very high51 Ų5143.6 Ų43.627%0.27324%0.243SC..Hα-helixtrans-62.1-44173.7-171.636.9000111.5F64 S72 M115F64-N68 HydrophobicContact CE2-CB 4.39Å; F64-N68 WeakPolarHBondContact O-CB 3.2Å; F64-N68 PolarHBondContact O-N 3.14Å; N68-S72 WeakPolarHBondContact O-CB 3.38Å; N68-S72 PolarHBondContact O-N 3.1Å; N68-S72 PolarHBondContact O-OG 3.27Å; N68-M115 HydrophobicContact CB-CE 4.15Å; N68-M115 HydrophobicContact CB-SD 3.83Å
69L98.6Very high98.4Very high113 Ų11342.6 Ų42.659%0.59223%0.234SC*.Hα-helixtrans-62.1-48.3174.5179.962.2000111.3N65 L66 Y71 S72 T73N65-L69 WeakPolarHBondContact O-CB 3.37Å; N65-L69 PolarHBondContact O-N 3.39Å; L66-L69 PolarHBondContact O-N 2.97Å; L69-Y71 PolarHBondContact O-N 3.39Å; L69-S72 WeakPolarHBondContact O-CB 3.33Å; L69-S72 PolarHBondContact O-N 3.27Å; L69-T73 WeakPolarHBondContact O-CG2 3.38Å; L69-T73 PolarHBondContact O-N 2.86Å
70Q98.5Very high98.4Very high14 Ų1443.8 Ų43.87%0.06525%0.249CC..Hα-helixtrans-59.2-45.7179.3-17663.159.200111.7L66 I67 T73 L158 L175 L178L66-Q70 VanDerWaalsContact O-CB 3.31Å; L66-Q70 WeakPolarHBondContact O-CB 3.23Å; L66-Q70 PolarHBondContact O-N 3.33Å; I67-Q70 PolarHBondContact O-N 2.66Å; Q70-T73 PolarHBondContact O-N 2.74Å; Q70-T73 PolarHBondContact O-OG1 3.1Å; Q70-L158 HydrophobicContact CG-CD1 3.89Å; Q70-L175 HydrophobicContact CG-CD1 3.85Å; Q70-L178 HydrophobicContact CB-CD2 4.13Å
71Y98.8Very high98.3Very high11 Ų1151.8 Ų51.84%0.04329%0.286CS..Hα-helixtrans-64.4-39.5176.8179.2-96.4000112.4I67 L69 T73 I74 S75 C78 P108 V111 V154 L158I67-Y71 WeakPolarHBondContact O-CB 3.34Å; I67-Y71 PolarHBondContact O-N 3.24Å; L69-Y71 PolarHBondContact O-N 3.39Å; Y71-T73 PolarHBondContact O-N 3.14Å; Y71-T73 VanDerWaalsContact O-N 3.17Å; Y71-I74 HydrophobicContact CD2-CD1 3.65Å; Y71-I74 HydrophobicContact CE2-CD1 3.69Å; Y71-I74 HydrophobicContact CG-CD1 4.37Å; Y71-I74 WeakPolarHBondContact O-CD1 3.37Å; Y71-I74 WeakPolarHBondContact O-CG1 3.47Å; Y71-I74 PolarHBondContact O-N 3.49Å; Y71-S75 PolarHBondContact O-N 2.86Å; Y71-C78 HydrophobicContact CE2-CB 4.19Å; Y71-C78 PolarHBondContact OH-SG 2.98Å; Y71-P108 WeakPolarHBondContact OH-CA 3.43Å; Y71-V111 HydrophobicContact CD1-CG1 3.53Å; Y71-V111 HydrophobicContact CD2-CG1 3.98Å; Y71-V111 HydrophobicContact CD2-CG2 4.24Å; Y71-V111 HydrophobicContact CE1-CB 4.02Å; Y71-V111 HydrophobicContact CE1-CG1 3.43Å; Y71-V111 VanDerWaalsContact CE1-CG1 3.43Å; Y71-V111 HydrophobicContact CE2-CB 4.11Å; Y71-V111 HydrophobicContact CE2-CG1 3.9Å; Y71-V111 HydrophobicContact CE2-CG2 3.72Å; Y71-V111 HydrophobicContact CG-CG1 3.8Å; Y71-V154 HydrophobicContact CD2-CG1 4.12Å; Y71-V154 HydrophobicContact CG-CG1 4.39Å; Y71-L158 HydrophobicContact CD2-CD2 4.04Å
72S98.5Very high98.2Very high59 Ų5954.2 Ų54.241%0.41330%0.301SS..Hα-helixtrans-55.1-36.7178.7-62.30000112.2N68 L69 I74 S75N68-S72 WeakPolarHBondContact O-CB 3.38Å; N68-S72 PolarHBondContact O-N 3.1Å; N68-S72 PolarHBondContact O-OG 3.27Å; L69-S72 WeakPolarHBondContact O-CB 3.33Å; L69-S72 PolarHBondContact O-N 3.27Å; S72-I74 PolarHBondContact O-N 2.89Å; S72-S75 PolarHBondContact O-N 2.79Å; S72-S75 PolarHBondContact O-OG 3.43Å
73T98.3Very high98.2Very high47 Ų4752 Ų5229%0.28829%0.288SS..THydrogen-bonded Turntrans-63.2-22.6178.670.60000114.8L69 Q70 Y71 L169 L171L69-T73 WeakPolarHBondContact O-CG2 3.38Å; L69-T73 PolarHBondContact O-N 2.86Å; Q70-T73 PolarHBondContact O-N 2.74Å; Q70-T73 PolarHBondContact O-OG1 3.1Å; Y71-T73 PolarHBondContact O-N 3.14Å; Y71-T73 VanDerWaalsContact O-N 3.17Å; T73-L169 WeakPolarHBondContact O-CD1 3.42Å; T73-L171 HydrophobicContact CG2-CD1 3.8Å; T73-L171 WeakPolarHBondContact OG1-CD1 3.1Å
74I97.6Very high98.2Very high0 Ų058.9 Ų58.90%032%0.32CS..THydrogen-bonded Turntrans-116.1-0.5-179.663.269.3000113.5Y71 S72 E76 F77 C78 L158 H162 E165 L169Y71-I74 HydrophobicContact CD2-CD1 3.65Å; Y71-I74 HydrophobicContact CE2-CD1 3.69Å; Y71-I74 HydrophobicContact CG-CD1 4.37Å; Y71-I74 WeakPolarHBondContact O-CD1 3.37Å; Y71-I74 WeakPolarHBondContact O-CG1 3.47Å; Y71-I74 PolarHBondContact O-N 3.49Å; S72-I74 PolarHBondContact O-N 2.89Å; I74-E76 PolarHBondContact O-N 2.88Å; I74-E76 VanDerWaalsContact O-N 3.07Å; I74-F77 HydrophobicContact CB-CD2 4.2Å; I74-F77 WeakPolarHBondContact O-CB 3.37Å; I74-F77 WeakPolarHBondContact O-CD2 3.43Å; I74-F77 PolarHBondContact O-N 2.96Å; I74-C78 HydrophobicContact CD1-CB 4.17Å; I74-C78 PolarHBondContact O-N 2.83Å; I74-L158 HydrophobicContact CD1-CD2 3.57Å; I74-L158 HydrophobicContact CG1-CD2 3.37Å; I74-H162 HydrophobicContact CD1-CB 4.36Å; I74-H162 HydrophobicContact CG1-CB 4.31Å; I74-E165 HydrophobicContact CG2-CB 4.41Å; I74-L169 HydrophobicContact CG2-CD1 4.16Å
75S98.1Very high98.1Very high55 Ų5559.4 Ų59.439%0.38533%0.325SS..THydrogen-bonded Turntrans-57-29.5-169.759.30000113.7Y71 S72 F77 C78Y71-S75 PolarHBondContact O-N 2.86Å; S72-S75 PolarHBondContact O-N 2.79Å; S72-S75 PolarHBondContact O-OG 3.43Å; S75-F77 VanDerWaalsContact C-N 3.27Å; S75-F77 PolarHBondContact O-N 3.06Å; S75-C78 PolarHBondContact O-N 3.29Å
76E97.6Very high98.1Very high147 Ų14755.5 Ų55.569%0.68730%0.304SS*.THydrogen-bonded Turntrans-66.2-26175.365.8-178100.900113.8I74I74-E76 PolarHBondContact O-N 2.88Å; I74-E76 VanDerWaalsContact O-N 3.07Å
77F98.1Very high98Very high76 Ų7653.8 Ų53.833%0.33330%0.296SS..THydrogen-bonded Turntrans-89.3-21.3178.8-50.9-72.7000112.5I74 S75 T79 T82 E165I74-F77 HydrophobicContact CB-CD2 4.2Å; I74-F77 WeakPolarHBondContact O-CB 3.37Å; I74-F77 WeakPolarHBondContact O-CD2 3.43Å; I74-F77 PolarHBondContact O-N 2.96Å; S75-F77 VanDerWaalsContact C-N 3.27Å; S75-F77 PolarHBondContact O-N 3.06Å; F77-T79 PolarHBondContact O-N 3.22Å; F77-T82 PolarHBondContact O-OG1 3.31Å; F77-E165 HydrophobicContact CB-CG 4.04Å; F77-E165 HydrophobicContact CD1-CG 4.19Å; F77-E165 HydrophobicContact CD2-CB 4.08Å; F77-E165 HydrophobicContact CD2-CG 3.99Å; F77-E165 HydrophobicContact CE2-CB 4.47Å; F77-E165 HydrophobicContact CG-CB 4.41Å; F77-E165 HydrophobicContact CG-CG 3.8Å
78C98.4Very high97.8Very high4 Ų453.8 Ų53.83%0.02730%0.296CS..  trans-87.889.2177.4-173.10000110.2Y71 I74 S75 P108 H162Y71-C78 HydrophobicContact CE2-CB 4.19Å; Y71-C78 PolarHBondContact OH-SG 2.98Å; I74-C78 HydrophobicContact CD1-CB 4.17Å; I74-C78 PolarHBondContact O-N 2.83Å; S75-C78 PolarHBondContact O-N 3.29Å; C78-P108 WeakPolarHBondContact O-CB 3.42Å; C78-P108 WeakPolarHBondContact O-CG 3.14Å; C78-H162 WeakPolarHBondContact CB-NE2 3.32Å
79T98.3Very high97.3Very high50 Ų5052.5 Ų52.531%0.30729%0.291SS..  trans-114.4167.4-176.675.60000111.7F77 E81 T82 C83F77-T79 PolarHBondContact O-N 3.22Å; T79-E81 PolarHBondContact O-N 2.91Å; T79-E81 PolarHBondContact OG1-N 3.41Å; T79-T82 PolarHBondContact N-OG1 3.4Å; T79-T82 PolarHBondContact O-N 2.66Å; T79-T82 PolarHBondContact O-OG1 2.85Å; T79-T82 PolarHBondContact OG1-N 2.89Å; T79-T82 PolarHBondContact OG1-OG1 3.48Å; T79-C83 WeakPolarHBondContact O-CA 3.31Å; T79-C83 PolarHBondContact O-N 3.23Å
80G97.6Very high96.8Very high37 Ų3752.6 Ų52.638%0.38130%0.301SS..THydrogen-bonded Turntrans-63-19.6172.900000113.5Q84G80-Q84 VanDerWaalsContact O-CG 3.24Å; G80-Q84 WeakPolarHBondContact O-CG 3.28Å
81E97.1Very high96.7Very high168 Ų16854.1 Ų54.179%0.78531%0.312SS*.THydrogen-bonded Turntrans-84.8-46.8177.5-62.2-176.5177.400111.5T79T79-E81 PolarHBondContact O-N 2.91Å; T79-E81 PolarHBondContact OG1-N 3.41Å
82T97Very high96.6Very high91 Ų9157 Ų5756%0.55833%0.327SS*.THydrogen-bonded Turntrans-72.7-36.8179590000111.5F77 T79F77-T82 PolarHBondContact O-OG1 3.31Å; T79-T82 PolarHBondContact N-OG1 3.4Å; T79-T82 PolarHBondContact O-N 2.66Å; T79-T82 PolarHBondContact O-OG1 2.85Å; T79-T82 PolarHBondContact OG1-N 2.89Å; T79-T82 PolarHBondContact OG1-OG1 3.48Å
83C97.8Very high96.5Very high11 Ų1155 Ų557%0.07431%0.311CS..  trans-128.868.8-173-59.10000111.9T79 A85 T106 A107 H162T79-C83 WeakPolarHBondContact O-CA 3.31Å; T79-C83 PolarHBondContact O-N 3.23Å; C83-A85 PolarHBondContact O-N 2.94Å; C83-T106 WeakPolarHBondContact O-CA 3.26Å; C83-T106 WeakPolarHBondContact O-CB 3.3Å; C83-A107 HydrophobicContact CB-CB 3.45Å; C83-A107 VanDerWaalsContact CB-CB 3.45Å; C83-A107 PolarHBondContact O-N 3.27Å; C83-H162 PolarHBondContact SG-NE2 3.35Å; C83-H162 VanDerWaalsContact SG-NE2 3.4Å
84Q97.8Very high96.4Very high145 Ų14556.7 Ų56.768%0.67831%0.312SS*.SBendtrans-61.7-13.7-179.1-65.2178.210.600114.5G80G80-Q84 VanDerWaalsContact O-CG 3.24Å; G80-Q84 WeakPolarHBondContact O-CG 3.28Å
85A97.6Very high96.4Very high13 Ų1358.1 Ų58.111%0.10732%0.318CS..SBendtrans-145.4145.6173.600000110.2C83 T87 I92 C105C83-A85 PolarHBondContact O-N 2.94Å; A85-T87 HydrophobicContact CB-CG2 3.8Å; A85-T87 PolarHBondContact O-N 3.5Å; A85-I92 HydrophobicContact CB-CG2 4.44Å; A85-C105 WeakPolarHBondContact CA-O 3.01Å
86M98Very high96.3Very high0 Ų060.6 Ų60.60%032%0.319CS..  trans-67.6104169-174.665.8179.700109.6Y93 C105 A107 Y110 V111 H153 H157M86-Y93 HydrophobicContact CE-CD2 4.29Å; M86-Y93 HydrophobicContact CG-CD2 3.92Å; M86-Y93 HydrophobicContact CG-CG 4.38Å; M86-Y93 PolarHBondContact O-N 3.02Å; M86-C105 PolarHBondContact N-O 3.46Å; M86-A107 HydrophobicContact CB-CB 4.49Å; M86-A107 HydrophobicContact SD-CB 3.83Å; M86-Y110 HydrophobicContact CB-CD1 4.23Å; M86-Y110 HydrophobicContact CB-CD2 4.01Å; M86-Y110 HydrophobicContact CB-CG 3.72Å; M86-Y110 HydrophobicContact CE-CD1 3.84Å; M86-Y110 HydrophobicContact CE-CE1 4.14Å; M86-Y110 HydrophobicContact CG-CD1 3.49Å; M86-Y110 VanDerWaalsContact CG-CD1 3.49Å; M86-Y110 HydrophobicContact CG-CD2 4.04Å; M86-Y110 HydrophobicContact CG-CE1 4Å; M86-Y110 HydrophobicContact CG-CG 3.51Å; M86-Y110 HydrophobicContact SD-CD1 3.81Å; M86-Y110 HydrophobicContact SD-CG 4.15Å; M86-V111 HydrophobicContact CE-CG2 4.38Å; M86-V111 HydrophobicContact SD-CG2 4.32Å; M86-H153 HydrophobicContact CE-CB 4.03Å; M86-H153 WeakPolarHBondContact CE-O 3.45Å; M86-H157 HydrophobicContact CE-CB 3.49Å; M86-H157 VanDerWaalsContact CE-CB 3.49Å; M86-H157 HydrophobicContact SD-CB 4.07Å
87T96.8Very high95.9Very high37 Ų3756.1 Ų56.123%0.22730%0.3CS..EExtended strand (participates in β ladder)trans-136.1148.5-174.460.80000112A85 T91 I92 H157A85-T87 HydrophobicContact CB-CG2 3.8Å; A85-T87 PolarHBondContact O-N 3.5Å; T87-T91 VanDerWaalsContact CA-O 3.26Å; T87-T91 WeakPolarHBondContact CA-O 3.02Å; T87-I92 HydrophobicContact CG2-CB 4.29Å; T87-I92 HydrophobicContact CG2-CG1 3.85Å; T87-I92 HydrophobicContact CG2-CG2 4.25Å; T87-H157 PolarHBondContact O-ND1 2.85Å
88A94.5Very high95.4Very high0 Ų060.6 Ų60.60%032%0.322CS..EExtended strand (participates in β ladder)trans-142.7127.6167.800000108.4S90 T91 Y93 A156 W160 I199A88-S90 PolarHBondContact O-N 3.41Å; A88-T91 PolarHBondContact N-O 3.15Å; A88-T91 WeakPolarHBondContact O-CB 3.31Å; A88-T91 PolarHBondContact O-N 2.81Å; A88-Y93 HydrophobicContact CB-CE2 3.83Å; A88-A156 HydrophobicContact CB-CB 3.65Å; A88-W160 HydrophobicContact CB-CB 4.2Å; A88-I199 HydrophobicContact CB-CD1 3.85Å
89C89.6Confident95Very high24 Ų2471.5 Ų71.516%0.16236%0.363CS..THydrogen-bonded Turntrans50.8-126.4-170.5-60.20000111W160C89-W160 HydrophobicContact CB-CE3 4.25Å; C89-W160 HydrophobicContact CB-CZ3 4.35Å
90S88.1Confident94.7Very high115 Ų11571.5 Ų71.580%0.80437%0.373SS*.THydrogen-bonded Turntrans-87.93.4176.456.40000114.4A88A88-S90 PolarHBondContact O-N 3.41Å
91T94.6Very high94.6Very high46 Ų4676.3 Ų76.328%0.28238%0.383SS..EExtended strand (participates in β ladder)trans-101.1134.5-173.1-63.80000111.4T87 A88 Y93T87-T91 VanDerWaalsContact CA-O 3.26Å; T87-T91 WeakPolarHBondContact CA-O 3.02Å; A88-T91 PolarHBondContact N-O 3.15Å; A88-T91 WeakPolarHBondContact O-CB 3.31Å; A88-T91 PolarHBondContact O-N 2.81Å; T91-Y93 HydrophobicContact CG2-CD1 3.99Å; T91-Y93 HydrophobicContact CG2-CE1 3.61Å
92I96.7Very high94.5Very high71 Ų7173.5 Ų73.536%0.36437%0.369SS..EExtended strand (participates in β ladder)trans-106.2123.4172.3-51.2-177000108.7A85 T87 Y94A85-I92 HydrophobicContact CB-CG2 4.44Å; T87-I92 HydrophobicContact CG2-CB 4.29Å; T87-I92 HydrophobicContact CG2-CG1 3.85Å; T87-I92 HydrophobicContact CG2-CG2 4.25Å; I92-Y94 HydrophobicContact CB-CE2 4.33Å; I92-Y94 HydrophobicContact CG2-CE2 4.23Å
93Y97.4Very high94.5Very high19 Ų1971.5 Ų71.58%0.07536%0.356CS..  trans-88.9134175.3-58-57000110.7M86 A88 T91 H153 I199M86-Y93 HydrophobicContact CE-CD2 4.29Å; M86-Y93 HydrophobicContact CG-CD2 3.92Å; M86-Y93 HydrophobicContact CG-CG 4.38Å; M86-Y93 PolarHBondContact O-N 3.02Å; A88-Y93 HydrophobicContact CB-CE2 3.83Å; T91-Y93 HydrophobicContact CG2-CD1 3.99Å; T91-Y93 HydrophobicContact CG2-CE1 3.61Å; Y93-H153 AromaticContact CD1-CD2 3.6Å; Y93-H153 AromaticContact CD1-CE1 3.77Å; Y93-H153 AromaticContact CD1-CG 3.81Å; Y93-H153 AromaticContact CD1-ND1 3.9Å; Y93-H153 AromaticContact CD1-NE2 3.59Å; Y93-H153 HydrophobicContact CD2-CB 3.77Å; Y93-H153 AromaticContact CD2-CG 3.93Å; Y93-H153 AromaticContact CE1-CD2 3.3Å; Y93-H153 WeakPolarHBondContact CE1-CD2 3.42Å; Y93-H153 AromaticContact CE1-CG 3.9Å; Y93-H153 AromaticContact CE1-NE2 3.51Å; Y93-H153 HydrophobicContact CE2-CB 3.81Å; Y93-H153 AromaticContact CE2-CD2 4Å; Y93-H153 AromaticContact CE2-CG 4Å; Y93-H153 HydrophobicContact CG-CB 4.14Å; Y93-H153 AromaticContact CG-CG 3.82Å; Y93-H153 AromaticContact CG-ND1 3.94Å; Y93-H153 AromaticContact CZ-CD2 3.5Å; Y93-H153 AromaticContact CZ-CG 3.97Å; Y93-I199 WeakPolarHBondContact OH-CD1 3.39Å
94Y97.1Very high94.4Very high82 Ų8277 Ų7732%0.32238%0.379SS..  trans-110144.1177.2-65.6-91.4000110I92 K102 K104I92-Y94 HydrophobicContact CB-CE2 4.33Å; I92-Y94 HydrophobicContact CG2-CE2 4.23Å; Y94-K102 HydrophobicContact CD1-CD 4.28Å; Y94-K102 HydrophobicContact CD1-CG 4.03Å; Y94-K102 HydrophobicContact CG-CD 4.22Å; Y94-K102 HydrophobicContact CG-CG 4.07Å; Y94-K104 HydrophobicContact CD1-CB 4.2Å; Y94-K104 HydrophobicContact CE1-CB 4.1Å; Y94-K104 HydrophobicContact CE1-CG 4.43Å
95W97.4Very high94.3Very high29 Ų2970.3 Ų70.311%0.1135%0.348CS..EExtended strand (participates in β ladder)trans-87.3143.2172.7-177.9-111.3000110.2K102 T103 Y110 F113 V114 L117 Y150W95-K102 CarbonylContact O-C 3.19Å; W95-K102 WeakPolarHBondContact O-CA 3.33Å; W95-T103 PolarHBondContact N-O 2.94Å; W95-T103 PolarHBondContact O-N 3.25Å; W95-Y110 HydrophobicContact CB-CD2 4.08Å; W95-Y110 HydrophobicContact CB-CE2 4.09Å; W95-Y110 HydrophobicContact CE3-CE2 4.17Å; W95-F113 HydrophobicContact CB-CD2 4.4Å; W95-F113 AromaticContact CD1-CD2 3.75Å; W95-F113 HydrophobicContact CD2-CB 3.94Å; W95-F113 HydrophobicContact CD2-CD2 4.1Å; W95-F113 HydrophobicContact CD2-CG 4.39Å; W95-F113 HydrophobicContact CE3-CB 4.11Å; W95-F113 AromaticContact CG-CD2 3.83Å; W95-F113 HydrophobicContact CG-CD2 3.83Å; W95-F113 HydrophobicContact CH2-CB 3.97Å; W95-F113 HydrophobicContact CZ2-CB 3.83Å; W95-F113 HydrophobicContact CZ3-CB 4.12Å; W95-F113 AromaticContact NE1-CD2 3.95Å; W95-V114 HydrophobicContact CE3-CG2 4.49Å; W95-V114 HydrophobicContact CZ3-CG2 3.96Å; W95-L117 HydrophobicContact CH2-CB 4Å; W95-L117 HydrophobicContact CH2-CD2 3.61Å; W95-L117 HydrophobicContact CH2-CG 4.42Å; W95-L117 HydrophobicContact CZ2-CD2 4.42Å; W95-L117 HydrophobicContact CZ3-CD2 4.4Å; W95-Y150 HydrophobicContact CE3-CE1 4.07Å; W95-Y150 AromaticContact CE3-CZ 3.98Å; W95-Y150 HydrophobicContact CH2-CE2 4.14Å; W95-Y150 HydrophobicContact CZ3-CD1 4.33Å; W95-Y150 HydrophobicContact CZ3-CD2 4.25Å; W95-Y150 AromaticContact CZ3-CE1 3.85Å; W95-Y150 HydrophobicContact CZ3-CE1 3.85Å; W95-Y150 AromaticContact CZ3-CE2 3.72Å; W95-Y150 HydrophobicContact CZ3-CE2 3.72Å; W95-Y150 AromaticContact CZ3-CZ 3.5Å; W95-Y150 VanDerWaalsContact CZ3-CZ 3.5Å
96Y94.7Very high94.4Very high108 Ų10871 Ų7142%0.42435%0.351SS..EExtended strand (participates in β ladder)trans-120.3117.2172.7-67.5-100.1000107.7K102Y96-K102 HydrophobicContact CD1-CB 4.21Å; Y96-K102 HydrophobicContact CE1-CB 3.79Å; Y96-K102 HydrophobicContact CE1-CD 4.41Å; Y96-K102 HydrophobicContact CE1-CG 4.04Å; Y96-K102 HydrophobicContact CE2-CG 4.47Å
97D90Very high94.4Very high53 Ų5371 Ų7128%0.28335%0.351SS..  trans-71.6176.1176.371.112.5000111.9R99 G100 K101D97-R99 PolarHBondContact O-N 3.3Å; D97-R99 WeakPolarHBondContact OD1-CA 3.35Å; D97-R99 WeakPolarHBondContact OD1-CB 3.07Å; D97-R99 PolarHBondContact OD1-N 3.18Å; D97-G100 PolarHBondContact O-N 3.45Å; D97-G100 PolarHBondContact OD1-N 3.36Å; D97-K101 PolarHBondContact N-O 3.46Å; D97-K101 WeakPolarHBondContact OD1-CB 3.47Å; D97-K101 PolarHBondContact OD1-N 2.86Å; D97-K101 WeakPolarHBondContact OD2-CB 3.24Å
98E86.7Confident94.5Very high170 Ų17070.2 Ų70.279%0.79435%0.347SS*.THydrogen-bonded Turntrans-60.4-17.1179.4-62.8-176.3160.400113.2K120E98-K120 IonicContact OE1-NZ 3.19Å; E98-K120 PolarHBondContact OE1-NZ 3.17Å
99R91.3Very high94.7Very high232 Ų23274.9 Ų74.988%0.87537%0.368SS*.THydrogen-bonded Turntrans-952.1176.9-58.3172.963.6-173.10.7112.5D97 K101D97-R99 PolarHBondContact O-N 3.3Å; D97-R99 WeakPolarHBondContact OD1-CA 3.35Å; D97-R99 WeakPolarHBondContact OD1-CB 3.07Å; D97-R99 PolarHBondContact OD1-N 3.18Å; R99-K101 VanDerWaalsContact C-N 3.32Å
100G90.8Very high95.1Very high51 Ų5173.8 Ų73.853%0.52636%0.361SS..  trans77.811.7-17800000114.4D97 K102D97-G100 PolarHBondContact O-N 3.45Å; D97-G100 PolarHBondContact OD1-N 3.36Å; G100-K102 PolarHBondContact O-N 2.93Å
101K95.3Very high95.6Very high138 Ų13868.3 Ų68.360%0.632%0.322SS*.  trans-73.8118.7179.2-174.1-174.1173.8-1740110.2D97 R99 T103D97-K101 PolarHBondContact N-O 3.46Å; D97-K101 WeakPolarHBondContact OD1-CB 3.47Å; D97-K101 PolarHBondContact OD1-N 2.86Å; D97-K101 WeakPolarHBondContact OD2-CB 3.24Å; R99-K101 VanDerWaalsContact C-N 3.32Å; K101-T103 PolarHBondContact O-N 3.3Å
102K96.4Very high95.8Very high109 Ų10970.6 Ų70.647%0.47433%0.333SS..EExtended strand (participates in β ladder)trans-70123.5173.2-172.7179.3-179175.50110.7Y94 W95 Y96 G100Y94-K102 HydrophobicContact CD1-CD 4.28Å; Y94-K102 HydrophobicContact CD1-CG 4.03Å; Y94-K102 HydrophobicContact CG-CD 4.22Å; Y94-K102 HydrophobicContact CG-CG 4.07Å; W95-K102 CarbonylContact O-C 3.19Å; W95-K102 WeakPolarHBondContact O-CA 3.33Å; Y96-K102 HydrophobicContact CD1-CB 4.21Å; Y96-K102 HydrophobicContact CE1-CB 3.79Å; Y96-K102 HydrophobicContact CE1-CD 4.41Å; Y96-K102 HydrophobicContact CE1-CG 4.04Å; Y96-K102 HydrophobicContact CE2-CG 4.47Å; G100-K102 PolarHBondContact O-N 2.93Å
103T95.5Very high95.9Very high49 Ų4971.3 Ų71.330%0.30133%0.334SS..EExtended strand (participates in β ladder)trans-129135.7-179.6-560000110.4W95 K101W95-T103 PolarHBondContact N-O 2.94Å; W95-T103 PolarHBondContact O-N 3.25Å; K101-T103 PolarHBondContact O-N 3.3Å
104K96.3Very high95.9Very high126 Ų12670.4 Ų70.455%0.54833%0.33SS..  trans-87125.9168.3-174-179.5177.9-175.60107.9Y94Y94-K104 HydrophobicContact CD1-CB 4.2Å; Y94-K104 HydrophobicContact CE1-CB 4.1Å; Y94-K104 HydrophobicContact CE1-CG 4.43Å
105C96.3Very high96Very high5 Ų567.3 Ų67.33%0.03432%0.319CS..  trans-119.8154.9-179.4-57.60000109.4A85 M86 Q109A85-C105 WeakPolarHBondContact CA-O 3.01Å; M86-C105 PolarHBondContact N-O 3.46Å; C105-Q109 HydrophobicContact CB-CB 4.12Å
106T98.5Very high96Very high27 Ų2769.7 Ų69.717%0.16634%0.34CS..  trans-61.6157.9160.465.70000109.1C83 Q109 Y110C83-T106 WeakPolarHBondContact O-CA 3.26Å; C83-T106 WeakPolarHBondContact O-CB 3.3Å; T106-Q109 PolarHBondContact O-N 3.07Å; T106-Q109 WeakPolarHBondContact OG1-CB 3.46Å; T106-Q109 VanDerWaalsContact OG1-CG 3.23Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.48Å; T106-Q109 PolarHBondContact OG1-N 2.79Å; T106-Q109 PolarHBondContact OG1-OE1 3.43Å; T106-Y110 WeakPolarHBondContact O-CB 3.37Å; T106-Y110 PolarHBondContact O-N 2.81Å
107A98.7Very high96.2Very high0 Ų065.9 Ų65.90%033%0.327CS..Hα-helixtrans-57.3-47.517800000113.3C83 M86 Q109 Y110 V111 H157C83-A107 HydrophobicContact CB-CB 3.45Å; C83-A107 VanDerWaalsContact CB-CB 3.45Å; C83-A107 PolarHBondContact O-N 3.27Å; M86-A107 HydrophobicContact CB-CB 4.49Å; M86-A107 HydrophobicContact SD-CB 3.83Å; A107-Q109 PolarHBondContact O-N 3.41Å; A107-Y110 WeakPolarHBondContact O-CB 3.47Å; A107-Y110 PolarHBondContact O-N 3.07Å; A107-Y110 VanDerWaalsContact O-N 3.12Å; A107-V111 WeakPolarHBondContact O-CG2 3.3Å; A107-V111 PolarHBondContact O-N 2.92Å; A107-H157 VanDerWaalsContact CB-NE2 3.33Å; A107-H157 WeakPolarHBondContact CB-NE2 3.39Å
108P98.6Very high96.6Very high21 Ų2163.4 Ų63.414%0.13631%0.313CS..Hα-helixtrans-62.9-40.3179.522.6-33.2000112.8Y71 C78 Y110 V111 D112Y71-P108 WeakPolarHBondContact OH-CA 3.43Å; C78-P108 WeakPolarHBondContact O-CB 3.42Å; C78-P108 WeakPolarHBondContact O-CG 3.14Å; P108-Y110 VanDerWaalsContact C-N 3.3Å; P108-Y110 PolarHBondContact O-N 2.98Å; P108-V111 PolarHBondContact O-N 3.11Å; P108-D112 VanDerWaalsContact O-CG 3.24Å; P108-D112 PolarHBondContact O-N 3.33Å
109Q98.4Very high97.1Very high98 Ų9859.1 Ų59.146%0.45829%0.293SS..Hα-helixtrans-61.4-39.8174.8-74.7175.4-17.700112.4C105 T106 A107 D112 F113C105-Q109 HydrophobicContact CB-CB 4.12Å; T106-Q109 PolarHBondContact O-N 3.07Å; T106-Q109 WeakPolarHBondContact OG1-CB 3.46Å; T106-Q109 VanDerWaalsContact OG1-CG 3.23Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.48Å; T106-Q109 PolarHBondContact OG1-N 2.79Å; T106-Q109 PolarHBondContact OG1-OE1 3.43Å; A107-Q109 PolarHBondContact O-N 3.41Å; Q109-D112 PolarHBondContact O-N 3.3Å; Q109-F113 WeakPolarHBondContact O-CD2 3.22Å; Q109-F113 VanDerWaalsContact O-CG 3.31Å; Q109-F113 WeakPolarHBondContact O-CG 3.38Å; Q109-F113 PolarHBondContact O-N 3.47Å; Q109-F113 VanDerWaalsContact O-N 3.11Å
110Y98.7Very high97.4Very high0 Ų053.6 Ų53.60%028%0.276CS..Hα-helixtrans-63.7-46.1176.6-173.5-84.4000111.1M86 W95 T106 A107 P108 D112 F113 V114 Y150 H153M86-Y110 HydrophobicContact CB-CD1 4.23Å; M86-Y110 HydrophobicContact CB-CD2 4.01Å; M86-Y110 HydrophobicContact CB-CG 3.72Å; M86-Y110 HydrophobicContact CE-CD1 3.84Å; M86-Y110 HydrophobicContact CE-CE1 4.14Å; M86-Y110 HydrophobicContact CG-CD1 3.49Å; M86-Y110 VanDerWaalsContact CG-CD1 3.49Å; M86-Y110 HydrophobicContact CG-CD2 4.04Å; M86-Y110 HydrophobicContact CG-CE1 4Å; M86-Y110 HydrophobicContact CG-CG 3.51Å; M86-Y110 HydrophobicContact SD-CD1 3.81Å; M86-Y110 HydrophobicContact SD-CG 4.15Å; W95-Y110 HydrophobicContact CB-CD2 4.08Å; W95-Y110 HydrophobicContact CB-CE2 4.09Å; W95-Y110 HydrophobicContact CE3-CE2 4.17Å; T106-Y110 WeakPolarHBondContact O-CB 3.37Å; T106-Y110 PolarHBondContact O-N 2.81Å; A107-Y110 WeakPolarHBondContact O-CB 3.47Å; A107-Y110 PolarHBondContact O-N 3.07Å; A107-Y110 VanDerWaalsContact O-N 3.12Å; P108-Y110 VanDerWaalsContact C-N 3.3Å; P108-Y110 PolarHBondContact O-N 2.98Å; Y110-D112 VanDerWaalsContact C-N 3.33Å; Y110-D112 PolarHBondContact O-N 3.01Å; Y110-F113 PolarHBondContact O-N 3.24Å; Y110-V114 HydrophobicContact CD1-CG2 3.74Å; Y110-V114 HydrophobicContact CE1-CG2 3.38Å; Y110-V114 WeakPolarHBondContact O-CG2 3.18Å; Y110-V114 PolarHBondContact O-N 2.78Å; Y110-Y150 VanDerWaalsContact OH-CD1 3.22Å; Y110-Y150 WeakPolarHBondContact OH-CD1 3.32Å; Y110-Y150 VanDerWaalsContact OH-CE1 3.32Å; Y110-Y150 WeakPolarHBondContact OH-CE1 3.44Å; Y110-H153 HydrophobicContact CE1-CB 4.12Å; Y110-H153 AromaticContact CZ-ND1 3.75Å; Y110-H153 PolarHBondContact OH-ND1 3.35Å
111V98.6Very high97.8Very high0 Ų052 Ų520%026%0.255CS..Hα-helixtrans-62-42.8178.4179.20000110.4Y71 M86 A107 P108 F113 V114 M115 V154Y71-V111 HydrophobicContact CD1-CG1 3.53Å; Y71-V111 HydrophobicContact CD2-CG1 3.98Å; Y71-V111 HydrophobicContact CD2-CG2 4.24Å; Y71-V111 HydrophobicContact CE1-CB 4.02Å; Y71-V111 HydrophobicContact CE1-CG1 3.43Å; Y71-V111 VanDerWaalsContact CE1-CG1 3.43Å; Y71-V111 HydrophobicContact CE2-CB 4.11Å; Y71-V111 HydrophobicContact CE2-CG1 3.9Å; Y71-V111 HydrophobicContact CE2-CG2 3.72Å; Y71-V111 HydrophobicContact CG-CG1 3.8Å; M86-V111 HydrophobicContact CE-CG2 4.38Å; M86-V111 HydrophobicContact SD-CG2 4.32Å; A107-V111 WeakPolarHBondContact O-CG2 3.3Å; A107-V111 PolarHBondContact O-N 2.92Å; P108-V111 PolarHBondContact O-N 3.11Å; V111-F113 VanDerWaalsContact C-N 3.33Å; V111-F113 PolarHBondContact O-N 3.23Å; V111-V114 PolarHBondContact O-N 3.3Å; V111-V114 VanDerWaalsContact O-N 3.14Å; V111-M115 HydrophobicContact CG1-CE 3.82Å; V111-M115 HydrophobicContact CG1-CG 3.94Å; V111-M115 VanDerWaalsContact O-CG 3.31Å; V111-M115 WeakPolarHBondContact O-CG 3.34Å; V111-M115 PolarHBondContact O-N 3.21Å; V111-V154 HydrophobicContact CG1-CG1 4.37Å; V111-V154 HydrophobicContact CG1-CG2 4.41Å; V111-V154 HydrophobicContact CG2-CG1 4.39Å; V111-V154 HydrophobicContact CG2-CG2 4.24Å
112D98.4Very high97.9Very high94 Ų9446.2 Ų46.250%0.50323%0.231SC..Hα-helixtrans-57.4-44.4175.4-68.7-18.8000112.2P108 Q109 Y110 S116P108-D112 VanDerWaalsContact O-CG 3.24Å; P108-D112 PolarHBondContact O-N 3.33Å; Q109-D112 PolarHBondContact O-N 3.3Å; Y110-D112 VanDerWaalsContact C-N 3.33Å; Y110-D112 PolarHBondContact O-N 3.01Å; D112-S116 WeakPolarHBondContact O-CB 3.33Å; D112-S116 PolarHBondContact O-N 3.05Å; D112-S116 PolarHBondContact O-OG 3.31Å
113F98.3Very high97.9Very high87 Ų8745.2 Ų45.238%0.38223%0.234SC..Hα-helixtrans-64.2-42.4175.7-65.9-28.1000112.5W95 Q109 Y110 V111 L117W95-F113 HydrophobicContact CB-CD2 4.4Å; W95-F113 AromaticContact CD1-CD2 3.75Å; W95-F113 HydrophobicContact CD2-CB 3.94Å; W95-F113 HydrophobicContact CD2-CD2 4.1Å; W95-F113 HydrophobicContact CD2-CG 4.39Å; W95-F113 HydrophobicContact CE3-CB 4.11Å; W95-F113 AromaticContact CG-CD2 3.83Å; W95-F113 HydrophobicContact CG-CD2 3.83Å; W95-F113 HydrophobicContact CH2-CB 3.97Å; W95-F113 HydrophobicContact CZ2-CB 3.83Å; W95-F113 HydrophobicContact CZ3-CB 4.12Å; W95-F113 AromaticContact NE1-CD2 3.95Å; Q109-F113 WeakPolarHBondContact O-CD2 3.22Å; Q109-F113 VanDerWaalsContact O-CG 3.31Å; Q109-F113 WeakPolarHBondContact O-CG 3.38Å; Q109-F113 PolarHBondContact O-N 3.47Å; Q109-F113 VanDerWaalsContact O-N 3.11Å; Y110-F113 PolarHBondContact O-N 3.24Å; V111-F113 VanDerWaalsContact C-N 3.33Å; V111-F113 PolarHBondContact O-N 3.23Å; F113-L117 VanDerWaalsContact O-CB 3.28Å; F113-L117 WeakPolarHBondContact O-CB 3.48Å; F113-L117 PolarHBondContact O-N 2.83Å
114V98.3Very high98Very high0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-61.8-52.3176.5164.50000110.8W95 Y110 V111 S116 L117 C118 Y150 V154W95-V114 HydrophobicContact CE3-CG2 4.49Å; W95-V114 HydrophobicContact CZ3-CG2 3.96Å; Y110-V114 HydrophobicContact CD1-CG2 3.74Å; Y110-V114 HydrophobicContact CE1-CG2 3.38Å; Y110-V114 WeakPolarHBondContact O-CG2 3.18Å; Y110-V114 PolarHBondContact O-N 2.78Å; V111-V114 PolarHBondContact O-N 3.3Å; V111-V114 VanDerWaalsContact O-N 3.14Å; V114-S116 VanDerWaalsContact C-N 3.34Å; V114-S116 PolarHBondContact O-N 3.3Å; V114-L117 PolarHBondContact O-N 2.9Å; V114-C118 WeakPolarHBondContact O-CB 3.45Å; V114-C118 PolarHBondContact O-N 3.06Å; V114-C118 PolarHBondContact O-SG 2.97Å; V114-Y150 HydrophobicContact CG2-CD1 4.03Å; V114-Y150 HydrophobicContact CG2-CG 3.93Å; V114-V154 HydrophobicContact CG1-CG2 4Å
115M98.3Very high98Very high16 Ų1644 Ų448%0.07923%0.229CC..Hα-helixtrans-63.6-42.5-177.6-63.4-52.6-179.100111F64 I67 N68 V111 C118 Q119 V154F64-M115 HydrophobicContact CD2-SD 4.3Å; F64-M115 HydrophobicContact CE2-CB 4.48Å; F64-M115 HydrophobicContact CE2-SD 3.97Å; I67-M115 HydrophobicContact CG2-CE 4.22Å; N68-M115 HydrophobicContact CB-CE 4.15Å; N68-M115 HydrophobicContact CB-SD 3.83Å; V111-M115 HydrophobicContact CG1-CE 3.82Å; V111-M115 HydrophobicContact CG1-CG 3.94Å; V111-M115 VanDerWaalsContact O-CG 3.31Å; V111-M115 WeakPolarHBondContact O-CG 3.34Å; V111-M115 PolarHBondContact O-N 3.21Å; M115-C118 PolarHBondContact O-N 2.92Å; M115-Q119 WeakPolarHBondContact O-CB 3.28Å; M115-Q119 PolarHBondContact O-N 3.33Å; M115-V154 HydrophobicContact CE-CG1 4Å; M115-V154 HydrophobicContact CE-CG2 4.27Å
116S98.3Very high98.1Very high79 Ų7949.5 Ų49.555%0.55225%0.254SS*.Hα-helixtrans-63-43.4176.9-59.70000112.4D112 V114 K120D112-S116 WeakPolarHBondContact O-CB 3.33Å; D112-S116 PolarHBondContact O-N 3.05Å; D112-S116 PolarHBondContact O-OG 3.31Å; V114-S116 VanDerWaalsContact C-N 3.34Å; V114-S116 PolarHBondContact O-N 3.3Å; S116-K120 WeakPolarHBondContact O-CB 3.36Å; S116-K120 PolarHBondContact O-N 3.39Å
117L97.8Very high98Very high29 Ų2949.3 Ų49.315%0.15225%0.252CS..Hα-helixtrans-65.5-47.7176.9175.365.9000111.2W95 F113 V114 K120 L121 Y150W95-L117 HydrophobicContact CH2-CB 4Å; W95-L117 HydrophobicContact CH2-CD2 3.61Å; W95-L117 HydrophobicContact CH2-CG 4.42Å; W95-L117 HydrophobicContact CZ2-CD2 4.42Å; W95-L117 HydrophobicContact CZ3-CD2 4.4Å; F113-L117 VanDerWaalsContact O-CB 3.28Å; F113-L117 WeakPolarHBondContact O-CB 3.48Å; F113-L117 PolarHBondContact O-N 2.83Å; V114-L117 PolarHBondContact O-N 2.9Å; L117-K120 PolarHBondContact O-N 2.85Å; L117-L121 HydrophobicContact CD1-CD1 4.05Å; L117-L121 HydrophobicContact CD1-CG 4.2Å; L117-L121 HydrophobicContact CG-CD1 4.04Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 3.46Å; L117-Y150 HydrophobicContact CD2-CD2 4.01Å; L117-Y150 HydrophobicContact CD2-CE2 3.6Å
118C98.3Very high97.9Very high0 Ų049.9 Ų49.90%026%0.255CS..Hα-helixtrans-61.7-47.2-179.6-64.70000110.3F64 V114 M115 K120 L121 V122 I147F64-C118 HydrophobicContact CD2-CB 3.43Å; F64-C118 VanDerWaalsContact CD2-CB 3.43Å; F64-C118 HydrophobicContact CE2-CB 3.68Å; F64-C118 HydrophobicContact CG-CB 4.18Å; V114-C118 WeakPolarHBondContact O-CB 3.45Å; V114-C118 PolarHBondContact O-N 3.06Å; V114-C118 PolarHBondContact O-SG 2.97Å; M115-C118 PolarHBondContact O-N 2.92Å; C118-K120 PolarHBondContact O-N 2.99Å; C118-L121 PolarHBondContact O-N 3.04Å; C118-L121 VanDerWaalsContact O-N 3.13Å; C118-V122 WeakPolarHBondContact O-CG1 3.37Å; C118-V122 WeakPolarHBondContact O-CG2 3.32Å; C118-V122 PolarHBondContact O-N 3.06Å; C118-I147 HydrophobicContact CB-CG2 4.47Å
119Q98.4Very high97.8Very high81 Ų8149.4 Ų49.438%0.37925%0.252SS..Hα-helixtrans-54.2-51175.4-173.664.772.800111.3F64 M115 L121 V122 T123F64-Q119 HydrophobicContact CE1-CB 4.38Å; F64-Q119 HydrophobicContact CZ-CB 3.78Å; F64-Q119 HydrophobicContact CZ-CG 4.44Å; M115-Q119 WeakPolarHBondContact O-CB 3.28Å; M115-Q119 PolarHBondContact O-N 3.33Å; Q119-L121 VanDerWaalsContact C-N 3.29Å; Q119-L121 PolarHBondContact O-N 3.13Å; Q119-V122 PolarHBondContact O-N 3.18Å; Q119-T123 PolarHBondContact O-N 3.42Å; Q119-T123 VanDerWaalsContact O-N 3.16Å; Q119-T123 PolarHBondContact O-OG1 3.35Å
120K98.1Very high97.5Very high116 Ų11650.1 Ų50.150%0.50426%0.263SS..Hα-helixtrans-54.5-45.6177.8177.1-177.1172.6-176.60111.5E98 S116 L117 C118 D124E98-K120 IonicContact OE1-NZ 3.19Å; E98-K120 PolarHBondContact OE1-NZ 3.17Å; S116-K120 WeakPolarHBondContact O-CB 3.36Å; S116-K120 PolarHBondContact O-N 3.39Å; L117-K120 PolarHBondContact O-N 2.85Å; C118-K120 PolarHBondContact O-N 2.99Å; K120-D124 WeakPolarHBondContact O-CB 3.31Å; K120-D124 PolarHBondContact O-N 3.42Å
121L97.8Very high97.1Very high17 Ų1755.8 Ų55.89%0.08929%0.288CS..Hα-helixtrans-70.4-47.9-177.6-67.2173.3000112.5L117 C118 Q119 T123 D124 I127 F128 L143 I147L117-L121 HydrophobicContact CD1-CD1 4.05Å; L117-L121 HydrophobicContact CD1-CG 4.2Å; L117-L121 HydrophobicContact CG-CD1 4.04Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 3.46Å; C118-L121 PolarHBondContact O-N 3.04Å; C118-L121 VanDerWaalsContact O-N 3.13Å; Q119-L121 VanDerWaalsContact C-N 3.29Å; Q119-L121 PolarHBondContact O-N 3.13Å; L121-T123 PolarHBondContact O-N 3.17Å; L121-D124 PolarHBondContact O-N 3.28Å; L121-I127 HydrophobicContact CD2-CD1 3.58Å; L121-F128 WeakPolarHBondContact O-CD2 3.42Å; L121-L143 HydrophobicContact CD2-CD2 4.37Å; L121-I147 HydrophobicContact CB-CD1 4.04Å; L121-I147 HydrophobicContact CD1-CD1 3.96Å; L121-I147 HydrophobicContact CD1-CG1 3.85Å
122V97.5Very high96.6Very high17 Ų1767.4 Ų67.410%0.10333%0.333CS..Hα-helixtrans-71.5-17-175.4-56.90000113.3F64 C118 Q119 F128 I147F64-V122 HydrophobicContact CD1-CG2 3.91Å; F64-V122 HydrophobicContact CE1-CG2 4.06Å; C118-V122 WeakPolarHBondContact O-CG1 3.37Å; C118-V122 WeakPolarHBondContact O-CG2 3.32Å; C118-V122 PolarHBondContact O-N 3.06Å; Q119-V122 PolarHBondContact O-N 3.18Å; V122-F128 HydrophobicContact CB-CD1 4.48Å; V122-F128 HydrophobicContact CB-CE1 4.45Å; V122-F128 HydrophobicContact CG1-CE1 4.09Å; V122-F128 HydrophobicContact CG1-CE2 4.3Å; V122-F128 HydrophobicContact CG1-CZ 3.95Å; V122-I147 HydrophobicContact CG1-CD1 4.24Å
123T97.1Very high96.1Very high88 Ų8866.1 Ų66.154%0.5434%0.342SS..THydrogen-bonded Turntrans-100.1-2.9174.456.80000114.4Q119 L121 E125Q119-T123 PolarHBondContact O-N 3.42Å; Q119-T123 VanDerWaalsContact O-N 3.16Å; Q119-T123 PolarHBondContact O-OG1 3.35Å; L121-T123 PolarHBondContact O-N 3.17Å; T123-E125 PolarHBondContact O-N 3.09Å
124D97.7Very high95.9Very high61 Ų6166.9 Ų66.933%0.32635%0.345SS..  trans-79.6108.9176.9-171.5-22.7000109.3K120 L121 E126 I127 F128K120-D124 WeakPolarHBondContact O-CB 3.31Å; K120-D124 PolarHBondContact O-N 3.42Å; L121-D124 PolarHBondContact O-N 3.28Å; D124-E126 PolarHBondContact O-N 3.01Å; D124-E126 VanDerWaalsContact O-N 3.11Å; D124-E126 PolarHBondContact OD1-N 2.86Å; D124-I127 HydrophobicContact CB-CB 4.21Å; D124-I127 HydrophobicContact CB-CD1 4.02Å; D124-I127 HydrophobicContact CB-CG1 4.05Å; D124-I127 PolarHBondContact O-N 3.44Å; D124-F128 PolarHBondContact O-N 3.37Å
125E96.6Very high95.7Very high87 Ų8775.3 Ų75.341%0.40739%0.385SS..THydrogen-bonded Turntrans-62.3-16.6-178.3-68.2-169.7172.500113.7T123 P129 K131T123-E125 PolarHBondContact O-N 3.09Å; E125-P129 VanDerWaalsContact O-CA 3.28Å; E125-P129 WeakPolarHBondContact O-CA 3.49Å; E125-K131 IonicContact OE1-NZ 3.68Å; E125-K131 PolarHBondContact OE1-NZ 3.05Å; E125-K131 IonicContact OE2-NZ 3.54Å; E125-K131 PolarHBondContact OE2-NZ 3.36Å
126E96.8Very high95.7Very high121 Ų12175.9 Ų75.957%0.56539%0.387SS*.THydrogen-bonded Turntrans-86.8-11.3175-60.7-66128.200112.2D124 K134D124-E126 PolarHBondContact O-N 3.01Å; D124-E126 VanDerWaalsContact O-N 3.11Å; D124-E126 PolarHBondContact OD1-N 2.86Å; E126-K134 IonicContact OE1-NZ 2.86Å; E126-K134 PolarHBondContact OE1-NZ 3.45Å; E126-K134 IonicContact OE2-NZ 3.41Å
127I97.2Very high95.7Very high24 Ų2473.8 Ų73.812%0.12337%0.372CS..THydrogen-bonded Turntrans-107.1-46.9175.1-54.7178.3000111L121 D124 P129 P137 F140 L143L121-I127 HydrophobicContact CD2-CD1 3.58Å; D124-I127 HydrophobicContact CB-CB 4.21Å; D124-I127 HydrophobicContact CB-CD1 4.02Å; D124-I127 HydrophobicContact CB-CG1 4.05Å; D124-I127 PolarHBondContact O-N 3.44Å; I127-P129 VanDerWaalsContact C-CD 3.43Å; I127-P129 VanDerWaalsContact O-CD 3.26Å; I127-P129 WeakPolarHBondContact O-CD 3.48Å; I127-P137 HydrophobicContact CG2-CG 4.47Å; I127-F140 HydrophobicContact CG2-CD2 4.31Å; I127-F140 VanDerWaalsContact O-CD2 3.31Å; I127-F140 WeakPolarHBondContact O-CD2 3.33Å; I127-L143 HydrophobicContact CD1-CD1 4.18Å; I127-L143 HydrophobicContact CG1-CD1 4.45Å; I127-L143 HydrophobicContact CG2-CD1 3.54Å
128F97.7Very high95.6Very high11 Ų1181.1 Ų81.15%0.04841%0.411CS..SBendtrans-114.376176.9-76.7-111.7000108.5A57 T60 L121 V122 D124 T130 F140 I147A57-F128 HydrophobicContact CB-CD1 3.8Å; A57-F128 HydrophobicContact CB-CE1 3.93Å; T60-F128 HydrophobicContact CG2-CZ 4.47Å; L121-F128 WeakPolarHBondContact O-CD2 3.42Å; V122-F128 HydrophobicContact CB-CD1 4.48Å; V122-F128 HydrophobicContact CB-CE1 4.45Å; V122-F128 HydrophobicContact CG1-CE1 4.09Å; V122-F128 HydrophobicContact CG1-CE2 4.3Å; V122-F128 HydrophobicContact CG1-CZ 3.95Å; D124-F128 PolarHBondContact O-N 3.37Å; F128-T130 PolarHBondContact O-N 3.44Å; F128-F140 HydrophobicContact CD1-CE2 4.25Å; F128-F140 HydrophobicContact CD2-CE2 4.05Å; F128-F140 HydrophobicContact CE1-CE2 4.01Å; F128-F140 HydrophobicContact CE1-CZ 4.26Å; F128-F140 HydrophobicContact CE2-CD2 4.47Å; F128-F140 AromaticContact CE2-CE2 3.77Å; F128-F140 HydrophobicContact CE2-CE2 3.77Å; F128-F140 HydrophobicContact CG-CE2 4.26Å; F128-F140 AromaticContact CZ-CE2 3.73Å; F128-F140 HydrophobicContact CZ-CE2 3.73Å; F128-F140 HydrophobicContact CZ-CZ 4.24Å; F128-I147 HydrophobicContact CE2-CD1 4.18Å; F128-I147 HydrophobicContact CZ-CD1 4.02Å
129P96Very high95.6Very high12 Ų1284 Ų848%0.07843%0.431CS..  trans-60.6134.3-179.925.9-35.1000111.4E125 I127 K134 F136E125-P129 VanDerWaalsContact O-CA 3.28Å; E125-P129 WeakPolarHBondContact O-CA 3.49Å; I127-P129 VanDerWaalsContact C-CD 3.43Å; I127-P129 VanDerWaalsContact O-CD 3.26Å; I127-P129 WeakPolarHBondContact O-CD 3.48Å; P129-K134 HydrophobicContact CB-CB 3.63Å; P129-F136 HydrophobicContact CG-CD1 3.97Å; P129-F136 HydrophobicContact CG-CD2 4.2Å; P129-F136 HydrophobicContact CG-CE1 3.97Å; P129-F136 HydrophobicContact CG-CE2 4.17Å; P129-F136 HydrophobicContact CG-CG 4.1Å; P129-F136 HydrophobicContact CG-CZ 4.06Å
130T91.7Very high95.6Very high112 Ų11280.2 Ų80.269%0.68741%0.413SS*.  trans-111.8-7.1176.857.40000112.7F128F128-T130 PolarHBondContact O-N 3.44Å
131K90.5Very high95.6Very high120 Ų12078.8 Ų78.852%0.52241%0.408SS..SBendtrans-102.8136.4-176.1-68.5172.2-177.1145.60110.1E125 G133 K134E125-K131 IonicContact OE1-NZ 3.68Å; E125-K131 PolarHBondContact OE1-NZ 3.05Å; E125-K131 IonicContact OE2-NZ 3.54Å; E125-K131 PolarHBondContact OE2-NZ 3.36Å; K131-G133 PolarHBondContact O-N 3.11Å; K131-K134 HydrophobicContact CB-CG 4.41Å; K131-K134 PolarHBondContact O-N 3.19Å
132Y88Confident95.6Very high243 Ų24382 Ų8295%0.95343%0.432SS*.THydrogen-bonded Turntrans-55.6135.8176-175.6-94.3000111.8K134Y132-K134 VanDerWaalsContact C-N 3.33Å
133G88.1Confident95.6Very high68 Ų6882.8 Ų82.870%0.70144%0.436SS*.THydrogen-bonded Turntrans82.32.6177.800000115.2K131K131-G133 PolarHBondContact O-N 3.11Å
134K93.3Very high95.7Very high102 Ų10278.6 Ų78.644%0.44341%0.41SS..PPolyproline II helixtrans-90.1133.3166-76.8-78.2-166.3149.30109.3E126 P129 K131 Y132E126-K134 IonicContact OE1-NZ 2.86Å; E126-K134 PolarHBondContact OE1-NZ 3.45Å; E126-K134 IonicContact OE2-NZ 3.41Å; P129-K134 HydrophobicContact CB-CB 3.63Å; K131-K134 HydrophobicContact CB-CG 4.41Å; K131-K134 PolarHBondContact O-N 3.19Å; Y132-K134 VanDerWaalsContact C-N 3.33Å
135E95.4Very high95.7Very high178 Ų17879 Ų7983%0.83241%0.409SS*.PPolyproline II helixtrans-95.4150.8179.4-63.2-177.8166.500111
136F97.6Very high95.8Very high27 Ų2778.8 Ų78.812%0.11841%0.407CS..PPolyproline II helixtrans-66.7145.9170.6-70.3-89.6000110.8N53 E54 A57 P129 F140N53-F136 HydrophobicContact CB-CB 4.15Å; N53-F136 HydrophobicContact CB-CD1 4.01Å; N53-F136 HydrophobicContact CB-CD2 3.39Å; N53-F136 HydrophobicContact CB-CE1 4.26Å; N53-F136 HydrophobicContact CB-CE2 3.69Å; N53-F136 HydrophobicContact CB-CG 3.57Å; N53-F136 HydrophobicContact CB-CZ 4.12Å; E54-F136 HydrophobicContact CG-CE2 3.88Å; E54-F136 HydrophobicContact CG-CZ 4.26Å; A57-F136 HydrophobicContact CB-CE1 3.82Å; A57-F136 HydrophobicContact CB-CZ 3.98Å; P129-F136 HydrophobicContact CG-CD1 3.97Å; P129-F136 HydrophobicContact CG-CD2 4.2Å; P129-F136 HydrophobicContact CG-CE1 3.97Å; P129-F136 HydrophobicContact CG-CE2 4.17Å; P129-F136 HydrophobicContact CG-CG 4.1Å; P129-F136 HydrophobicContact CG-CZ 4.06Å; F136-F140 HydrophobicContact CB-CB 4.11Å; F136-F140 HydrophobicContact CB-CD1 4.47Å; F136-F140 HydrophobicContact CB-CG 4.14Å; F136-F140 HydrophobicContact CD1-CB 4.49Å; F136-F140 AromaticContact CD1-CD1 3.91Å; F136-F140 HydrophobicContact CD1-CD1 3.91Å; F136-F140 AromaticContact CD1-CD2 3.5Å; F136-F140 HydrophobicContact CD1-CD2 3.5Å; F136-F140 VanDerWaalsContact CD1-CD2 3.5Å; F136-F140 AromaticContact CD1-CE1 3.93Å; F136-F140 HydrophobicContact CD1-CE1 3.93Å; F136-F140 AromaticContact CD1-CE2 3.53Å; F136-F140 HydrophobicContact CD1-CE2 3.53Å; F136-F140 AromaticContact CD1-CG 3.69Å; F136-F140 HydrophobicContact CD1-CG 3.69Å; F136-F140 AromaticContact CD1-CZ 3.75Å; F136-F140 HydrophobicContact CD1-CZ 3.75Å; F136-F140 HydrophobicContact CE1-CD2 4.14Å; F136-F140 HydrophobicContact CE1-CE1 4.08Å; F136-F140 AromaticContact CE1-CE2 3.66Å; F136-F140 HydrophobicContact CE1-CE2 3.66Å; F136-F140 AromaticContact CE1-CZ 3.64Å; F136-F140 HydrophobicContact CE1-CZ 3.64Å; F136-F140 HydrophobicContact CG-CD1 4.36Å; F136-F140 HydrophobicContact CG-CD2 4.46Å; F136-F140 HydrophobicContact CG-CG 4.26Å
137P97.4Very high95.9Very high36 Ų3673 Ų7323%0.23438%0.38CS..PPolyproline II helixtrans-68.5153.3176.729.1-35.3000111.5I127 S139 F140I127-P137 HydrophobicContact CG2-CG 4.47Å; P137-S139 PolarHBondContact O-N 2.93Å; P137-F140 HydrophobicContact CG-CB 4.08Å; P137-F140 WeakPolarHBondContact O-CB 3.48Å; P137-F140 PolarHBondContact O-N 3.12Å
138N97.3Very high96Very high182 Ų18271.9 Ų71.997%0.97337%0.374SS*.THydrogen-bonded Turntrans-57-20.7176-66.8-31.7000114.1
139S97.1Very high96Very high60 Ų6075.6 Ų75.642%0.4239%0.388SS..THydrogen-bonded Turntrans-90-1.1177.855.90000113.8P137 E141 S142 L143P137-S139 PolarHBondContact O-N 2.93Å; S139-E141 PolarHBondContact O-N 3.13Å; S139-S142 WeakPolarHBondContact O-CB 3.16Å; S139-S142 PolarHBondContact O-N 3.21Å; S139-L143 PolarHBondContact O-N 3.06Å
140F98.3Very high96.1Very high2 Ų275.9 Ų75.91%0.00939%0.387CS..Hα-helixtrans-55.2-53.1-169.7178.1-105.8000113.1N53 L56 A57 I127 F128 F136 P137 S142 L143 V144N53-F140 HydrophobicContact CB-CD1 3.75Å; N53-F140 HydrophobicContact CB-CE1 3.7Å; N53-F140 WeakPolarHBondContact O-CE1 3.37Å; N53-F140 WeakPolarHBondContact OD1-CD1 3.34Å; L56-F140 HydrophobicContact CB-CE1 4.01Å; A57-F140 HydrophobicContact CB-CE2 4.44Å; A57-F140 HydrophobicContact CB-CZ 3.76Å; I127-F140 HydrophobicContact CG2-CD2 4.31Å; I127-F140 VanDerWaalsContact O-CD2 3.31Å; I127-F140 WeakPolarHBondContact O-CD2 3.33Å; F128-F140 HydrophobicContact CD1-CE2 4.25Å; F128-F140 HydrophobicContact CD2-CE2 4.05Å; F128-F140 HydrophobicContact CE1-CE2 4.01Å; F128-F140 HydrophobicContact CE1-CZ 4.26Å; F128-F140 HydrophobicContact CE2-CD2 4.47Å; F128-F140 AromaticContact CE2-CE2 3.77Å; F128-F140 HydrophobicContact CE2-CE2 3.77Å; F128-F140 HydrophobicContact CG-CE2 4.26Å; F128-F140 AromaticContact CZ-CE2 3.73Å; F128-F140 HydrophobicContact CZ-CE2 3.73Å; F128-F140 HydrophobicContact CZ-CZ 4.24Å; F136-F140 HydrophobicContact CB-CB 4.11Å; F136-F140 HydrophobicContact CB-CD1 4.47Å; F136-F140 HydrophobicContact CB-CG 4.14Å; F136-F140 HydrophobicContact CD1-CB 4.49Å; F136-F140 AromaticContact CD1-CD1 3.91Å; F136-F140 HydrophobicContact CD1-CD1 3.91Å; F136-F140 AromaticContact CD1-CD2 3.5Å; F136-F140 HydrophobicContact CD1-CD2 3.5Å; F136-F140 VanDerWaalsContact CD1-CD2 3.5Å; F136-F140 AromaticContact CD1-CE1 3.93Å; F136-F140 HydrophobicContact CD1-CE1 3.93Å; F136-F140 AromaticContact CD1-CE2 3.53Å; F136-F140 HydrophobicContact CD1-CE2 3.53Å; F136-F140 AromaticContact CD1-CG 3.69Å; F136-F140 HydrophobicContact CD1-CG 3.69Å; F136-F140 AromaticContact CD1-CZ 3.75Å; F136-F140 HydrophobicContact CD1-CZ 3.75Å; F136-F140 HydrophobicContact CE1-CD2 4.14Å; F136-F140 HydrophobicContact CE1-CE1 4.08Å; F136-F140 AromaticContact CE1-CE2 3.66Å; F136-F140 HydrophobicContact CE1-CE2 3.66Å; F136-F140 AromaticContact CE1-CZ 3.64Å; F136-F140 HydrophobicContact CE1-CZ 3.64Å; F136-F140 HydrophobicContact CG-CD1 4.36Å; F136-F140 HydrophobicContact CG-CD2 4.46Å; F136-F140 HydrophobicContact CG-CG 4.26Å; P137-F140 HydrophobicContact CG-CB 4.08Å; P137-F140 WeakPolarHBondContact O-CB 3.48Å; P137-F140 PolarHBondContact O-N 3.12Å; F140-S142 PolarHBondContact O-N 2.97Å; F140-L143 CarbonylContact O-C 3.57Å; F140-L143 WeakPolarHBondContact O-CA 3.19Å; F140-L143 WeakPolarHBondContact O-CB 3.36Å; F140-L143 PolarHBondContact O-N 3Å; F140-V144 HydrophobicContact CD1-CG2 4.13Å; F140-V144 HydrophobicContact CD2-CG2 4.38Å; F140-V144 HydrophobicContact CE1-CG2 3.62Å; F140-V144 HydrophobicContact CE2-CG2 3.9Å; F140-V144 HydrophobicContact CG-CG2 4.49Å; F140-V144 HydrophobicContact CZ-CG2 3.48Å; F140-V144 VanDerWaalsContact CZ-CG2 3.48Å; F140-V144 PolarHBondContact O-N 2.85Å
141E97.9Very high96.5Very high86 Ų8670.5 Ų70.540%0.40235%0.354SS..Hα-helixtrans-57.5-38.1178.4-72.3-172.9-155.100112.3L56 S139 L143 V144 K145L56-E141 HydrophobicContact CD1-CG 4.26Å; S139-E141 PolarHBondContact O-N 3.13Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 3.11Å; E141-V144 PolarHBondContact O-N 3.16Å; E141-K145 VanDerWaalsContact O-CG 3.26Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 2.87Å
142S97.9Very high96.9Very high85 Ų8564.8 Ų64.859%0.59433%0.33SS*.Hα-helixtrans-66.1-34.3177.7-64.60000111.9S139 F140 K146S139-S142 WeakPolarHBondContact O-CB 3.16Å; S139-S142 PolarHBondContact O-N 3.21Å; F140-S142 PolarHBondContact O-N 2.97Å; S142-K146 WeakPolarHBondContact O-CB 3.07Å; S142-K146 PolarHBondContact O-N 3.47Å; S142-K146 VanDerWaalsContact O-N 3.1Å
143L98.2Very high97.4Very high34 Ų3454 Ų5418%0.17829%0.288CS..Hα-helixtrans-71-42.3174-66.2170.1000111.4L121 I127 S139 F140 E141 K145 K146 I147L121-L143 HydrophobicContact CD2-CD2 4.37Å; I127-L143 HydrophobicContact CD1-CD1 4.18Å; I127-L143 HydrophobicContact CG1-CD1 4.45Å; I127-L143 HydrophobicContact CG2-CD1 3.54Å; S139-L143 PolarHBondContact O-N 3.06Å; F140-L143 CarbonylContact O-C 3.57Å; F140-L143 WeakPolarHBondContact O-CA 3.19Å; F140-L143 WeakPolarHBondContact O-CB 3.36Å; F140-L143 PolarHBondContact O-N 3Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 3.11Å; L143-K145 PolarHBondContact O-N 2.92Å; L143-K146 WeakPolarHBondContact O-CB 3.28Å; L143-K146 PolarHBondContact O-N 3.4Å; L143-K146 VanDerWaalsContact O-N 3.14Å; L143-I147 WeakPolarHBondContact O-CG1 3.25Å; L143-I147 PolarHBondContact O-N 3.49Å
144V98.7Very high97.9Very high0 Ų050.7 Ų50.70%025%0.254CS..Hα-helixtrans-57.9-48.9173.3170.60000110.8L56 T60 F140 E141 K146 I147 C148 L191L56-V144 HydrophobicContact CB-CG1 4.47Å; L56-V144 HydrophobicContact CB-CG2 4.44Å; T60-V144 WeakPolarHBondContact OG1-CG1 3.35Å; F140-V144 HydrophobicContact CD1-CG2 4.13Å; F140-V144 HydrophobicContact CD2-CG2 4.38Å; F140-V144 HydrophobicContact CE1-CG2 3.62Å; F140-V144 HydrophobicContact CE2-CG2 3.9Å; F140-V144 HydrophobicContact CG-CG2 4.49Å; F140-V144 HydrophobicContact CZ-CG2 3.48Å; F140-V144 VanDerWaalsContact CZ-CG2 3.48Å; F140-V144 PolarHBondContact O-N 2.85Å; E141-V144 PolarHBondContact O-N 3.16Å; V144-K146 VanDerWaalsContact C-N 3.26Å; V144-K146 PolarHBondContact O-N 3.17Å; V144-I147 PolarHBondContact O-N 3.14Å; V144-I147 VanDerWaalsContact O-N 3.1Å; V144-C148 PolarHBondContact O-N 3.35Å; V144-C148 PolarHBondContact O-SG 3.46Å; V144-C148 VanDerWaalsContact O-SG 3.39Å; V144-L191 HydrophobicContact CG1-CD1 4.12Å; V144-L191 HydrophobicContact CG1-CD2 4.09Å
145K98.7Very high98.1Very high68 Ų6845.9 Ų45.930%0.29623%0.233SC..Hα-helixtrans-56.4-39.9175.1-70.3-176.9-179178.20112.4E141 L143 R149 N190 L191E141-K145 VanDerWaalsContact O-CG 3.26Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 2.87Å; L143-K145 PolarHBondContact O-N 2.92Å; K145-R149 WeakPolarHBondContact O-CB 3.36Å; K145-R149 PolarHBondContact O-N 3.26Å; K145-R149 VanDerWaalsContact O-N 3.07Å; K145-N190 WeakPolarHBondContact CE-O 3.47Å; K145-L191 WeakPolarHBondContact CB-O 3.41Å; K145-L191 HydrophobicContact CG-CB 4.4Å; K145-L191 HydrophobicContact CG-CD2 4.08Å; K145-L191 WeakPolarHBondContact CG-O 3.49Å
146K97.9Very high98.3Very high83 Ų8337.4 Ų37.436%0.36119%0.193SC..Hα-helixtrans-65.7-44.5176.2-174.8178.5-179.6-178.60111.7S142 L143 V144 Y150S142-K146 WeakPolarHBondContact O-CB 3.07Å; S142-K146 PolarHBondContact O-N 3.47Å; S142-K146 VanDerWaalsContact O-N 3.1Å; L143-K146 WeakPolarHBondContact O-CB 3.28Å; L143-K146 PolarHBondContact O-N 3.4Å; L143-K146 VanDerWaalsContact O-N 3.14Å; V144-K146 VanDerWaalsContact C-N 3.26Å; V144-K146 PolarHBondContact O-N 3.17Å; K146-Y150 HydrophobicContact CD-CE2 4.43Å; K146-Y150 HydrophobicContact CG-CD2 4.18Å; K146-Y150 HydrophobicContact CG-CE2 3.86Å; K146-Y150 WeakPolarHBondContact O-CD2 3.26Å; K146-Y150 PolarHBondContact O-N 2.95Å
147I98.6Very high98.3Very high1 Ų136.1 Ų36.11%0.00519%0.188CC..Hα-helixtrans-62-53.9176.8-68.1165.1000110.1T60 C118 L121 V122 F128 L143 V144 R149 Y150 L151T60-I147 HydrophobicContact CG2-CB 4.04Å; T60-I147 HydrophobicContact CG2-CD1 4.15Å; T60-I147 HydrophobicContact CG2-CG2 3.5Å; T60-I147 VanDerWaalsContact CG2-CG2 3.5Å; C118-I147 HydrophobicContact CB-CG2 4.47Å; L121-I147 HydrophobicContact CB-CD1 4.04Å; L121-I147 HydrophobicContact CD1-CD1 3.96Å; L121-I147 HydrophobicContact CD1-CG1 3.85Å; V122-I147 HydrophobicContact CG1-CD1 4.24Å; F128-I147 HydrophobicContact CE2-CD1 4.18Å; F128-I147 HydrophobicContact CZ-CD1 4.02Å; L143-I147 WeakPolarHBondContact O-CG1 3.25Å; L143-I147 PolarHBondContact O-N 3.49Å; V144-I147 PolarHBondContact O-N 3.14Å; V144-I147 VanDerWaalsContact O-N 3.1Å; I147-R149 VanDerWaalsContact C-N 3.29Å; I147-R149 PolarHBondContact O-N 3.02Å; I147-Y150 PolarHBondContact O-N 2.88Å; I147-Y150 VanDerWaalsContact O-N 3.07Å; I147-L151 HydrophobicContact CG2-CD1 3.68Å; I147-L151 HydrophobicContact CG2-CG 4.1Å; I147-L151 WeakPolarHBondContact O-CG 3.48Å; I147-L151 PolarHBondContact O-N 3.25Å
148C98.8Very high98.4Very high0 Ų034.4 Ų34.40%018%0.177CC..Hα-helixtrans-55.5-43.8-179.9-68.30000111.8V144 Y150 L151 F152 F182 I186 L191 I192V144-C148 PolarHBondContact O-N 3.35Å; V144-C148 PolarHBondContact O-SG 3.46Å; V144-C148 VanDerWaalsContact O-SG 3.39Å; C148-Y150 PolarHBondContact O-N 3.39Å; C148-L151 PolarHBondContact O-N 3.08Å; C148-F152 WeakPolarHBondContact O-CB 3.34Å; C148-F152 PolarHBondContact O-N 3.24Å; C148-F182 HydrophobicContact CB-CE2 4.41Å; C148-F182 HydrophobicContact CB-CZ 4.06Å; C148-F182 WeakPolarHBondContact O-CZ 3.37Å; C148-I186 HydrophobicContact CB-CG2 4.09Å; C148-L191 HydrophobicContact CB-CB 4.32Å; C148-I192 HydrophobicContact CB-CD1 4.05Å; C148-I192 HydrophobicContact CB-CG1 4.06Å; C148-I192 WeakPolarHBondContact O-CD1 3.23Å
149R98.6Very high98.4Very high88 Ų8825.8 Ų25.833%0.33213%0.13SC..Hα-helixtrans-56.6-47.7175.8-172-163.9-47.4-120-1.9112.8K145 I147 F152 H153 E196K145-R149 WeakPolarHBondContact O-CB 3.36Å; K145-R149 PolarHBondContact O-N 3.26Å; K145-R149 VanDerWaalsContact O-N 3.07Å; I147-R149 VanDerWaalsContact C-N 3.29Å; I147-R149 PolarHBondContact O-N 3.02Å; R149-F152 WeakPolarHBondContact O-CB 3.25Å; R149-F152 PolarHBondContact O-N 2.99Å; R149-H153 PolarHBondContact O-CD2 3.4Å; R149-H153 VanDerWaalsContact O-CD2 3.25Å; R149-H153 PolarHBondContact O-N 2.9Å; R149-E196 VanDerWaalsContact CD-OE2 3.23Å; R149-E196 WeakPolarHBondContact CD-OE2 3.48Å; R149-E196 WeakPolarHBondContact CG-OE2 3.36Å; R149-E196 IonicContact CZ-OE1 2.83Å; R149-E196 IonicContact CZ-OE2 3.49Å; R149-E196 IonicContact NE-OE2 3.99Å; R149-E196 IonicContact NH1-OE1 3.63Å; R149-E196 PolarHBondContact NH1-OE1 3.28Å; R149-E196 IonicContact NH1-OE2 2.74Å; R149-E196 PolarHBondContact NH1-OE2 2.79Å; R149-E196 IonicContact NH2-OE1 2.66Å
150Y98.6Very high98.5Very high18 Ų1826.4 Ų26.47%0.07112%0.124CC..Hα-helixtrans-67.6-39.6179.2-74.2-41000112.8W95 Y110 V114 L117 K146 I147 C148 F152 H153 V154W95-Y150 HydrophobicContact CE3-CE1 4.07Å; W95-Y150 AromaticContact CE3-CZ 3.98Å; W95-Y150 HydrophobicContact CH2-CE2 4.14Å; W95-Y150 HydrophobicContact CZ3-CD1 4.33Å; W95-Y150 HydrophobicContact CZ3-CD2 4.25Å; W95-Y150 AromaticContact CZ3-CE1 3.85Å; W95-Y150 HydrophobicContact CZ3-CE1 3.85Å; W95-Y150 AromaticContact CZ3-CE2 3.72Å; W95-Y150 HydrophobicContact CZ3-CE2 3.72Å; W95-Y150 AromaticContact CZ3-CZ 3.5Å; W95-Y150 VanDerWaalsContact CZ3-CZ 3.5Å; Y110-Y150 VanDerWaalsContact OH-CD1 3.22Å; Y110-Y150 WeakPolarHBondContact OH-CD1 3.32Å; Y110-Y150 VanDerWaalsContact OH-CE1 3.32Å; Y110-Y150 WeakPolarHBondContact OH-CE1 3.44Å; V114-Y150 HydrophobicContact CG2-CD1 4.03Å; V114-Y150 HydrophobicContact CG2-CG 3.93Å; L117-Y150 HydrophobicContact CD2-CD2 4.01Å; L117-Y150 HydrophobicContact CD2-CE2 3.6Å; K146-Y150 HydrophobicContact CD-CE2 4.43Å; K146-Y150 HydrophobicContact CG-CD2 4.18Å; K146-Y150 HydrophobicContact CG-CE2 3.86Å; K146-Y150 WeakPolarHBondContact O-CD2 3.26Å; K146-Y150 PolarHBondContact O-N 2.95Å; I147-Y150 PolarHBondContact O-N 2.88Å; I147-Y150 VanDerWaalsContact O-N 3.07Å; C148-Y150 PolarHBondContact O-N 3.39Å; Y150-F152 VanDerWaalsContact C-N 3.31Å; Y150-F152 PolarHBondContact O-N 3.03Å; Y150-H153 AromaticContact CD1-ND1 3.87Å; Y150-H153 WeakPolarHBondContact O-CB 3.17Å; Y150-H153 PolarHBondContact O-N 3.24Å; Y150-H153 VanDerWaalsContact O-N 3.17Å; Y150-V154 PolarHBondContact O-N 3.23Å
151L98.9Very high98.4Very high0 Ų028 Ų280%014%0.138CC..Hα-helixtrans-62.1-38.6174.5-69.6-178.6000112.1F63 F64 I67 I147 C148 H153 V154 L155 F182F63-L151 HydrophobicContact CB-CD1 4.27Å; F64-L151 HydrophobicContact CB-CD1 4.15Å; F64-L151 HydrophobicContact CD2-CD2 4.33Å; I67-L151 HydrophobicContact CB-CD2 4.34Å; I67-L151 HydrophobicContact CD1-CB 3.69Å; I67-L151 HydrophobicContact CD1-CD1 4.21Å; I67-L151 HydrophobicContact CD1-CD2 4.23Å; I67-L151 HydrophobicContact CD1-CG 4.25Å; I67-L151 HydrophobicContact CG2-CD2 4.29Å; I147-L151 HydrophobicContact CG2-CD1 3.68Å; I147-L151 HydrophobicContact CG2-CG 4.1Å; I147-L151 WeakPolarHBondContact O-CG 3.48Å; I147-L151 PolarHBondContact O-N 3.25Å; C148-L151 PolarHBondContact O-N 3.08Å; L151-H153 VanDerWaalsContact C-N 3.33Å; L151-H153 PolarHBondContact O-N 3.05Å; L151-V154 PolarHBondContact O-N 3.28Å; L151-L155 PolarHBondContact O-N 2.82Å; L151-F182 HydrophobicContact CB-CE2 4.2Å; L151-F182 HydrophobicContact CB-CZ 4.2Å
152F98.8Very high98.4Very high0 Ų024.2 Ų24.20%012%0.12CC..Hα-helixtrans-59.7-42.2172.6175.9-103.2000112C148 R149 Y150 V154 L155 A156 Y179 F182 I183 I192 E196 T197 M200C148-F152 WeakPolarHBondContact O-CB 3.34Å; C148-F152 PolarHBondContact O-N 3.24Å; R149-F152 WeakPolarHBondContact O-CB 3.25Å; R149-F152 PolarHBondContact O-N 2.99Å; Y150-F152 VanDerWaalsContact C-N 3.31Å; Y150-F152 PolarHBondContact O-N 3.03Å; F152-V154 VanDerWaalsContact C-N 3.27Å; F152-V154 PolarHBondContact O-N 2.88Å; F152-L155 PolarHBondContact O-N 3.15Å; F152-A156 HydrophobicContact CE1-CB 4.35Å; F152-A156 HydrophobicContact CZ-CB 4.3Å; F152-A156 WeakPolarHBondContact O-CB 3.29Å; F152-A156 PolarHBondContact O-N 2.86Å; F152-Y179 HydrophobicContact CE2-CE2 4.29Å; F152-F182 HydrophobicContact CB-CE1 3.91Å; F152-F182 HydrophobicContact CB-CZ 4.37Å; F152-F182 HydrophobicContact CD2-CE1 4.37Å; F152-I183 HydrophobicContact CD2-CD1 4.01Å; F152-I183 HydrophobicContact CE2-CD1 3.93Å; F152-I192 HydrophobicContact CB-CD1 3.75Å; F152-I192 HydrophobicContact CG-CD1 4.35Å; F152-E196 WeakPolarHBondContact CE1-O 3.44Å; F152-T197 HydrophobicContact CD1-CG2 4.27Å; F152-T197 HydrophobicContact CD2-CG2 4.11Å; F152-T197 HydrophobicContact CE1-CG2 4.13Å; F152-T197 HydrophobicContact CE2-CG2 3.94Å; F152-T197 HydrophobicContact CG-CG2 4.28Å; F152-T197 HydrophobicContact CZ-CG2 3.96Å; F152-M200 HydrophobicContact CE2-CB 4.47Å; F152-M200 HydrophobicContact CE2-CG 4.25Å; F152-M200 HydrophobicContact CZ-CB 4.26Å; F152-M200 HydrophobicContact CZ-CG 3.86Å
153H98.6Very high98.4Very high15 Ų1520.5 Ų20.57%0.0699%0.093CC..Hα-helixtrans-58.8-41.3177.3-59.6166.5000111.8M86 Y93 Y110 R149 Y150 L151 H157M86-H153 HydrophobicContact CE-CB 4.03Å; M86-H153 WeakPolarHBondContact CE-O 3.45Å; Y93-H153 AromaticContact CD1-CD2 3.6Å; Y93-H153 AromaticContact CD1-CE1 3.77Å; Y93-H153 AromaticContact CD1-CG 3.81Å; Y93-H153 AromaticContact CD1-ND1 3.9Å; Y93-H153 AromaticContact CD1-NE2 3.59Å; Y93-H153 HydrophobicContact CD2-CB 3.77Å; Y93-H153 AromaticContact CD2-CG 3.93Å; Y93-H153 AromaticContact CE1-CD2 3.3Å; Y93-H153 WeakPolarHBondContact CE1-CD2 3.42Å; Y93-H153 AromaticContact CE1-CG 3.9Å; Y93-H153 AromaticContact CE1-NE2 3.51Å; Y93-H153 HydrophobicContact CE2-CB 3.81Å; Y93-H153 AromaticContact CE2-CD2 4Å; Y93-H153 AromaticContact CE2-CG 4Å; Y93-H153 HydrophobicContact CG-CB 4.14Å; Y93-H153 AromaticContact CG-CG 3.82Å; Y93-H153 AromaticContact CG-ND1 3.94Å; Y93-H153 AromaticContact CZ-CD2 3.5Å; Y93-H153 AromaticContact CZ-CG 3.97Å; Y110-H153 HydrophobicContact CE1-CB 4.12Å; Y110-H153 AromaticContact CZ-ND1 3.75Å; Y110-H153 PolarHBondContact OH-ND1 3.35Å; R149-H153 PolarHBondContact O-CD2 3.4Å; R149-H153 VanDerWaalsContact O-CD2 3.25Å; R149-H153 PolarHBondContact O-N 2.9Å; Y150-H153 AromaticContact CD1-ND1 3.87Å; Y150-H153 WeakPolarHBondContact O-CB 3.17Å; Y150-H153 PolarHBondContact O-N 3.24Å; Y150-H153 VanDerWaalsContact O-N 3.17Å; L151-H153 VanDerWaalsContact C-N 3.33Å; L151-H153 PolarHBondContact O-N 3.05Å; H153-H157 WeakPolarHBondContact O-CB 3.44Å; H153-H157 PolarHBondContact O-N 3.31Å
154V98.8Very high98.4Very high0 Ų024.8 Ų24.80%011%0.11CC..Hα-helixtrans-63.9-47.8177-176.20000110.6I67 Y71 V111 V114 M115 Y150 L151 F152 A156 H157 L158I67-V154 HydrophobicContact CG2-CB 4.01Å; I67-V154 HydrophobicContact CG2-CG1 3.84Å; Y71-V154 HydrophobicContact CD2-CG1 4.12Å; Y71-V154 HydrophobicContact CG-CG1 4.39Å; V111-V154 HydrophobicContact CG1-CG1 4.37Å; V111-V154 HydrophobicContact CG1-CG2 4.41Å; V111-V154 HydrophobicContact CG2-CG1 4.39Å; V111-V154 HydrophobicContact CG2-CG2 4.24Å; V114-V154 HydrophobicContact CG1-CG2 4Å; M115-V154 HydrophobicContact CE-CG1 4Å; M115-V154 HydrophobicContact CE-CG2 4.27Å; Y150-V154 PolarHBondContact O-N 3.23Å; L151-V154 PolarHBondContact O-N 3.28Å; F152-V154 VanDerWaalsContact C-N 3.27Å; F152-V154 PolarHBondContact O-N 2.88Å; V154-A156 PolarHBondContact O-N 3.42Å; V154-H157 PolarHBondContact O-N 3.44Å; V154-L158 HydrophobicContact CG1-CD1 4.39Å; V154-L158 WeakPolarHBondContact O-CG 3.35Å; V154-L158 PolarHBondContact O-N 3.34Å
155L98.8Very high98.3Very high0 Ų027.5 Ų27.50%012%0.123CC..Hα-helixtrans-59.2-47.6176.5-77.1171.8000112.4I67 L151 F152 H157 L158 Y159 L175 L178 Y179 F182I67-L155 HydrophobicContact CD1-CD1 3.63Å; I67-L155 HydrophobicContact CD1-CD2 4.42Å; I67-L155 HydrophobicContact CD1-CG 3.89Å; I67-L155 HydrophobicContact CG1-CD1 4.15Å; I67-L155 HydrophobicContact CG1-CD2 4.06Å; I67-L155 HydrophobicContact CG1-CG 4.04Å; I67-L155 HydrophobicContact CG2-CG 4.36Å; L151-L155 PolarHBondContact O-N 2.82Å; F152-L155 PolarHBondContact O-N 3.15Å; L155-H157 VanDerWaalsContact C-N 3.26Å; L155-H157 PolarHBondContact O-N 2.86Å; L155-L158 HydrophobicContact CD2-CD1 4.49Å; L155-L158 WeakPolarHBondContact O-CB 3.17Å; L155-L158 PolarHBondContact O-N 3.06Å; L155-Y159 WeakPolarHBondContact O-CD2 3.4Å; L155-Y159 PolarHBondContact O-N 3.13Å; L155-Y159 VanDerWaalsContact O-N 3.14Å; L155-L175 HydrophobicContact CD2-CD1 3.82Å; L155-L178 HydrophobicContact CD2-CD2 4.34Å; L155-L178 HydrophobicContact CD2-CG 4.43Å; L155-Y179 HydrophobicContact CB-CD2 4.1Å; L155-Y179 HydrophobicContact CD1-CD2 4.12Å; L155-F182 HydrophobicContact CD1-CB 4.17Å; L155-F182 HydrophobicContact CD1-CD1 3.73Å; L155-F182 HydrophobicContact CD1-CE1 4.29Å; L155-F182 HydrophobicContact CD1-CG 3.89Å
156A98.6Very high98.3Very high0 Ų024.3 Ų24.30%011%0.109CC..Hα-helixtrans-60.6-38.8178.500000111.5A88 F152 V154 W160 I199 M200A88-A156 HydrophobicContact CB-CB 3.65Å; F152-A156 HydrophobicContact CE1-CB 4.35Å; F152-A156 HydrophobicContact CZ-CB 4.3Å; F152-A156 WeakPolarHBondContact O-CB 3.29Å; F152-A156 PolarHBondContact O-N 2.86Å; V154-A156 PolarHBondContact O-N 3.42Å; A156-W160 VanDerWaalsContact O-CB 3.25Å; A156-W160 WeakPolarHBondContact O-CB 3.44Å; A156-W160 PolarHBondContact O-N 3.46Å; A156-I199 HydrophobicContact CB-CD1 4.42Å; A156-M200 HydrophobicContact CB-CG 4.01Å; A156-M200 HydrophobicContact CB-SD 4.21Å
157H98.5Very high98.3Very high0 Ų022 Ų220%010%0.102CC..Hα-helixtrans-66.9-40.6175.4-178.663.5000112.6M86 T87 A107 H153 V154 L155 Y159 W160 A161 H162M86-H157 HydrophobicContact CE-CB 3.49Å; M86-H157 VanDerWaalsContact CE-CB 3.49Å; M86-H157 HydrophobicContact SD-CB 4.07Å; T87-H157 PolarHBondContact O-ND1 2.85Å; A107-H157 VanDerWaalsContact CB-NE2 3.33Å; A107-H157 WeakPolarHBondContact CB-NE2 3.39Å; H153-H157 WeakPolarHBondContact O-CB 3.44Å; H153-H157 PolarHBondContact O-N 3.31Å; V154-H157 PolarHBondContact O-N 3.44Å; L155-H157 VanDerWaalsContact C-N 3.26Å; L155-H157 PolarHBondContact O-N 2.86Å; H157-Y159 PolarHBondContact O-N 2.82Å; H157-W160 PolarHBondContact O-N 2.85Å; H157-A161 WeakPolarHBondContact CE1-CB 3.26Å; H157-A161 WeakPolarHBondContact O-CB 3.49Å; H157-A161 PolarHBondContact O-N 3.13Å; H157-H162 AromaticContact CD2-CD2 4Å; H157-H162 AromaticContact NE2-CD2 3.54Å; H157-H162 AromaticContact NE2-NE2 3.48Å; H157-H162 PolarHBondContact NE2-NE2 2.9Å
158L98.5Very high98.3Very high0 Ų026.1 Ų26.10%014%0.136CC..Hα-helixtrans-57.7-47.7175.9-74.3171.2000111.9Q70 Y71 I74 V154 L155 H162 F163 L175Q70-L158 HydrophobicContact CG-CD1 3.89Å; Y71-L158 HydrophobicContact CD2-CD2 4.04Å; I74-L158 HydrophobicContact CD1-CD2 3.57Å; I74-L158 HydrophobicContact CG1-CD2 3.37Å; V154-L158 HydrophobicContact CG1-CD1 4.39Å; V154-L158 WeakPolarHBondContact O-CG 3.35Å; V154-L158 PolarHBondContact O-N 3.34Å; L155-L158 HydrophobicContact CD2-CD1 4.49Å; L155-L158 WeakPolarHBondContact O-CB 3.17Å; L155-L158 PolarHBondContact O-N 3.06Å; L158-H162 CarbonylContact O-C 3.59Å; L158-H162 WeakPolarHBondContact O-CA 3.17Å; L158-H162 PolarHBondContact O-N 3.41Å; L158-F163 PolarHBondContact O-N 3.35Å; L158-L175 HydrophobicContact CB-CD1 4.4Å; L158-L175 HydrophobicContact CB-CD2 4.43Å; L158-L175 HydrophobicContact CD1-CD1 4.1Å
159Y98.4Very high98.2Very high1 Ų129.9 Ų29.90%0.00416%0.156CC..Hα-helixtrans-66-40.9175.8-80.5-75.2000112.8Y25 L155 H157 F163 L175 N176 Y179 M200 L203Y25-Y159 WeakPolarHBondContact CD1-O 3.49Å; Y25-Y159 HydrophobicContact CD2-CD1 4.16Å; Y25-Y159 WeakPolarHBondContact CE1-O 3.22Å; Y25-Y159 AromaticContact CG-CD1 3.88Å; Y25-Y159 HydrophobicContact CG-CD1 3.88Å; Y25-Y159 HydrophobicContact CG-CG 4.46Å; L155-Y159 WeakPolarHBondContact O-CD2 3.4Å; L155-Y159 PolarHBondContact O-N 3.13Å; L155-Y159 VanDerWaalsContact O-N 3.14Å; H157-Y159 PolarHBondContact O-N 2.82Å; Y159-F163 AromaticContact CD1-CD2 3.65Å; Y159-F163 HydrophobicContact CD1-CD2 3.65Å; Y159-F163 AromaticContact CD1-CE2 3.84Å; Y159-F163 HydrophobicContact CD1-CE2 3.84Å; Y159-F163 HydrophobicContact CE1-CD2 4.06Å; Y159-F163 AromaticContact CE1-CE2 3.8Å; Y159-F163 HydrophobicContact CE1-CE2 3.8Å; Y159-F163 VanDerWaalsContact O-CB 3.27Å; Y159-F163 WeakPolarHBondContact O-CB 3.41Å; Y159-L175 HydrophobicContact CD1-CD2 4.01Å; Y159-L175 HydrophobicContact CD2-CD2 4.18Å; Y159-L175 HydrophobicContact CD2-CG 4.43Å; Y159-L175 HydrophobicContact CE1-CD2 3.78Å; Y159-L175 HydrophobicContact CE1-CG 4.08Å; Y159-L175 HydrophobicContact CE2-CD1 3.97Å; Y159-L175 HydrophobicContact CE2-CD2 3.91Å; Y159-L175 HydrophobicContact CE2-CG 3.72Å; Y159-L175 HydrophobicContact CG-CD2 4.23Å; Y159-L175 PolarHBondContact OH-O 3.16Å; Y159-N176 VanDerWaalsContact OH-CA 3.25Å; Y159-N176 WeakPolarHBondContact OH-CA 3.39Å; Y159-N176 PolarHBondContact OH-N 3.04Å; Y159-N176 PolarHBondContact OH-OD1 3.44Å; Y159-Y179 HydrophobicContact CD2-CD2 4.18Å; Y159-Y179 HydrophobicContact CE2-CD1 4.31Å; Y159-Y179 AromaticContact CE2-CD2 3.57Å; Y159-Y179 HydrophobicContact CE2-CD2 3.57Å; Y159-Y179 HydrophobicContact CE2-CE2 4.26Å; Y159-Y179 AromaticContact CE2-CG 3.6Å; Y159-Y179 HydrophobicContact CE2-CG 3.6Å; Y159-Y179 WeakPolarHBondContact OH-CB 3.45Å; Y159-M200 HydrophobicContact CD2-CE 4.03Å; Y159-M200 HydrophobicContact CG-CE 3.93Å; Y159-L203 HydrophobicContact CD1-CD2 3.64Å; Y159-L203 HydrophobicContact CD2-CD2 3.85Å; Y159-L203 HydrophobicContact CE1-CD2 3.51Å; Y159-L203 HydrophobicContact CE2-CD2 3.76Å; Y159-L203 HydrophobicContact CG-CD2 3.78Å
160W97.4Very high98.2Very high74 Ų7431.3 Ų31.328%0.2817%0.17SC..Hα-helixtrans-73.2-49-175.1178.7-109.4000113K23 Y25 A88 C89 A156 H157K23-W160 HydrophobicContact CG-CZ3 4.26Å; Y25-W160 HydrophobicContact CE1-CE3 4.32Å; A88-W160 HydrophobicContact CB-CB 4.2Å; C89-W160 HydrophobicContact CB-CE3 4.25Å; C89-W160 HydrophobicContact CB-CZ3 4.35Å; A156-W160 VanDerWaalsContact O-CB 3.25Å; A156-W160 WeakPolarHBondContact O-CB 3.44Å; A156-W160 PolarHBondContact O-N 3.46Å; H157-W160 PolarHBondContact O-N 2.85Å
161A97.2Very high98.1Very high36 Ų3632.4 Ų32.430%0.29818%0.177SC..Hα-helixtrans-101.5-27.5-169.300000113.8H157H157-A161 WeakPolarHBondContact CE1-CB 3.26Å; H157-A161 WeakPolarHBondContact O-CB 3.49Å; H157-A161 PolarHBondContact O-N 3.13Å
162H98Very high98.1Very high5 Ų532.8 Ų32.82%0.02318%0.178CC..SBendtrans-127.518.3-166.1-64.7-58.2000114.4I74 C78 C83 H157 L158 K164 E165 T166I74-H162 HydrophobicContact CD1-CB 4.36Å; I74-H162 HydrophobicContact CG1-CB 4.31Å; C78-H162 WeakPolarHBondContact CB-NE2 3.32Å; C83-H162 PolarHBondContact SG-NE2 3.35Å; C83-H162 VanDerWaalsContact SG-NE2 3.4Å; H157-H162 AromaticContact CD2-CD2 4Å; H157-H162 AromaticContact NE2-CD2 3.54Å; H157-H162 AromaticContact NE2-NE2 3.48Å; H157-H162 PolarHBondContact NE2-NE2 2.9Å; L158-H162 CarbonylContact O-C 3.59Å; L158-H162 WeakPolarHBondContact O-CA 3.17Å; L158-H162 PolarHBondContact O-N 3.41Å; H162-K164 VanDerWaalsContact C-N 3.33Å; H162-K164 PolarHBondContact O-N 3.46Å; H162-E165 VanDerWaalsContact C-OE2 3.32Å; H162-E165 VanDerWaalsContact CA-OE2 3.23Å; H162-E165 WeakPolarHBondContact CA-OE2 3.28Å; H162-T166 WeakPolarHBondContact O-CB 3.37Å; H162-T166 PolarHBondContact O-N 2.96Å; H162-T166 PolarHBondContact O-OG1 2.95Å
163F98Very high98Very high7 Ų733 Ų333%0.03118%0.181CC..Hα-helixtrans-68.7-34-178.1-170.1-105.1000112.4Q24 Y25 F30 L158 Y159 T166 V167 H172 L175Q24-F163 HydrophobicContact CB-CD1 4.34Å; Q24-F163 HydrophobicContact CG-CD1 4.26Å; Q24-F163 HydrophobicContact CG-CE1 4.33Å; Y25-F163 VanDerWaalsContact CA-CE1 3.43Å; F30-F163 HydrophobicContact CB-CE1 4.08Å; F30-F163 HydrophobicContact CB-CZ 3.76Å; F30-F163 HydrophobicContact CD1-CE1 4.19Å; F30-F163 HydrophobicContact CD1-CZ 4.41Å; F30-F163 AromaticContact CD2-CE1 3.92Å; F30-F163 HydrophobicContact CD2-CE1 3.92Å; F30-F163 HydrophobicContact CD2-CZ 4.47Å; F30-F163 HydrophobicContact CE2-CE1 4.49Å; F30-F163 AromaticContact CG-CE1 3.78Å; F30-F163 HydrophobicContact CG-CE1 3.78Å; F30-F163 AromaticContact CG-CZ 3.96Å; F30-F163 HydrophobicContact CG-CZ 3.96Å; L158-F163 PolarHBondContact O-N 3.35Å; Y159-F163 AromaticContact CD1-CD2 3.65Å; Y159-F163 HydrophobicContact CD1-CD2 3.65Å; Y159-F163 AromaticContact CD1-CE2 3.84Å; Y159-F163 HydrophobicContact CD1-CE2 3.84Å; Y159-F163 HydrophobicContact CE1-CD2 4.06Å; Y159-F163 AromaticContact CE1-CE2 3.8Å; Y159-F163 HydrophobicContact CE1-CE2 3.8Å; Y159-F163 VanDerWaalsContact O-CB 3.27Å; Y159-F163 WeakPolarHBondContact O-CB 3.41Å; F163-T166 WeakPolarHBondContact O-CB 3.4Å; F163-T166 PolarHBondContact O-N 2.69Å; F163-V167 HydrophobicContact CD1-CG2 3.89Å; F163-V167 HydrophobicContact CE1-CG2 3.51Å; F163-V167 HydrophobicContact CE2-CG2 4.46Å; F163-V167 HydrophobicContact CZ-CG2 3.84Å; F163-V167 WeakPolarHBondContact O-CG2 3.31Å; F163-V167 PolarHBondContact O-N 3.03Å; F163-H172 HydrophobicContact CE2-CB 4.04Å; F163-H172 HydrophobicContact CZ-CB 4.12Å; F163-L175 HydrophobicContact CD2-CD2 4.3Å
164K97.2Very high97.9Very high125 Ų12537.1 Ų37.154%0.54320%0.2SC..Hα-helixtrans-63.7-45178.5-71.1177-175.7165.80111.2H162 V167 A168H162-K164 VanDerWaalsContact C-N 3.33Å; H162-K164 PolarHBondContact O-N 3.46Å; K164-V167 PolarHBondContact O-N 3.33Å; K164-A168 WeakPolarHBondContact O-CB 3.37Å; K164-A168 PolarHBondContact O-N 2.92Å
165E98.1Very high97.9Very high57 Ų5737.1 Ų37.127%0.26620%0.2SC..Hα-helixtrans-63.9-43.3175.1-64.473.1-16500110.3I74 F77 H162 V167 A168 L169I74-E165 HydrophobicContact CG2-CB 4.41Å; F77-E165 HydrophobicContact CB-CG 4.04Å; F77-E165 HydrophobicContact CD1-CG 4.19Å; F77-E165 HydrophobicContact CD2-CB 4.08Å; F77-E165 HydrophobicContact CD2-CG 3.99Å; F77-E165 HydrophobicContact CE2-CB 4.47Å; F77-E165 HydrophobicContact CG-CB 4.41Å; F77-E165 HydrophobicContact CG-CG 3.8Å; H162-E165 VanDerWaalsContact C-OE2 3.32Å; H162-E165 VanDerWaalsContact CA-OE2 3.23Å; H162-E165 WeakPolarHBondContact CA-OE2 3.28Å; E165-V167 VanDerWaalsContact C-N 3.32Å; E165-V167 PolarHBondContact O-N 3.02Å; E165-A168 PolarHBondContact O-N 3.02Å; E165-A168 VanDerWaalsContact O-N 3.16Å; E165-L169 WeakPolarHBondContact O-CG 3.47Å; E165-L169 PolarHBondContact O-N 2.73Å
166T98.1Very high97.8Very high0 Ų037.1 Ų37.10%020%0.2CC..Hα-helixtrans-59.7-40.9176-58.90000112.2H162 F163 D170 L171 H172 L175H162-T166 WeakPolarHBondContact O-CB 3.37Å; H162-T166 PolarHBondContact O-N 2.96Å; H162-T166 PolarHBondContact O-OG1 2.95Å; F163-T166 WeakPolarHBondContact O-CB 3.4Å; F163-T166 PolarHBondContact O-N 2.69Å; T166-D170 PolarHBondContact O-N 2.73Å; T166-L171 HydrophobicContact CG2-CB 4.07Å; T166-L171 PolarHBondContact O-N 3.23Å; T166-H172 HydrophobicContact CG2-CB 4.15Å; T166-L175 HydrophobicContact CG2-CB 4.24Å; T166-L175 HydrophobicContact CG2-CD2 3.95Å
167V97.9Very high97.7Very high36 Ų3638.5 Ų38.522%0.21821%0.208CC..Hα-helixtrans-68.8-41.7174.3169.30000111.2F30 F163 K164 E165 L169 D170 H172F30-V167 HydrophobicContact CD1-CG1 4.31Å; F30-V167 HydrophobicContact CD1-CG2 3.77Å; F30-V167 HydrophobicContact CE1-CB 4.43Å; F30-V167 HydrophobicContact CE1-CG1 3.69Å; F30-V167 HydrophobicContact CE1-CG2 3.81Å; F163-V167 HydrophobicContact CD1-CG2 3.89Å; F163-V167 HydrophobicContact CE1-CG2 3.51Å; F163-V167 HydrophobicContact CE2-CG2 4.46Å; F163-V167 HydrophobicContact CZ-CG2 3.84Å; F163-V167 WeakPolarHBondContact O-CG2 3.31Å; F163-V167 PolarHBondContact O-N 3.03Å; K164-V167 PolarHBondContact O-N 3.33Å; E165-V167 VanDerWaalsContact C-N 3.32Å; E165-V167 PolarHBondContact O-N 3.02Å; V167-L169 PolarHBondContact O-N 2.8Å; V167-D170 WeakPolarHBondContact O-CA 3.09Å; V167-D170 PolarHBondContact O-N 3.19Å; V167-H172 HydrophobicContact CG2-CB 3.87Å
168A97.8Very high97.7Very high87 Ų8739.1 Ų39.172%0.71921%0.212SC*.Hα-helixtrans-62.1-28178.700000113K164 E165 D170K164-A168 WeakPolarHBondContact O-CB 3.37Å; K164-A168 PolarHBondContact O-N 2.92Å; E165-A168 PolarHBondContact O-N 3.02Å; E165-A168 VanDerWaalsContact O-N 3.16Å; A168-D170 VanDerWaalsContact C-N 3.34Å
169L97.9Very high97.6Very high79 Ų7939.1 Ų39.141%0.41421%0.212SC..THydrogen-bonded Turntrans-87.20.3173.1-64.4173.5000113.8T73 I74 E165 V167 L171T73-L169 WeakPolarHBondContact O-CD1 3.42Å; I74-L169 HydrophobicContact CG2-CD1 4.16Å; E165-L169 WeakPolarHBondContact O-CG 3.47Å; E165-L169 PolarHBondContact O-N 2.73Å; V167-L169 PolarHBondContact O-N 2.8Å; L169-L171 HydrophobicContact CB-CB 4.5Å; L169-L171 HydrophobicContact CB-CD1 3.89Å; L169-L171 HydrophobicContact CB-CG 3.9Å; L169-L171 HydrophobicContact CD1-CD1 4.18Å; L169-L171 PolarHBondContact O-N 3.36Å
170D97.5Very high97.5Very high118 Ų11839 Ų3963%0.63121%0.211SC*.THydrogen-bonded Turntrans58.130.7-174-156.330.6000114.2T166 V167 A168 H172T166-D170 PolarHBondContact O-N 2.73Å; V167-D170 WeakPolarHBondContact O-CA 3.09Å; V167-D170 PolarHBondContact O-N 3.19Å; A168-D170 VanDerWaalsContact C-N 3.34Å; D170-H172 IonicContact OD1-CE1 3.52Å; D170-H172 IonicContact OD1-ND1 3.95Å
171L98.1Very high97.5Very high41 Ų4137.2 Ų37.222%0.21521%0.206CC..  trans-101.2-4.4-176-65.7178.5000114.2T73 T166 L169 G173 H174 L175T73-L171 HydrophobicContact CG2-CD1 3.8Å; T73-L171 WeakPolarHBondContact OG1-CD1 3.1Å; T166-L171 HydrophobicContact CG2-CB 4.07Å; T166-L171 PolarHBondContact O-N 3.23Å; L169-L171 HydrophobicContact CB-CB 4.5Å; L169-L171 HydrophobicContact CB-CD1 3.89Å; L169-L171 HydrophobicContact CB-CG 3.9Å; L169-L171 HydrophobicContact CD1-CD1 4.18Å; L169-L171 PolarHBondContact O-N 3.36Å; L171-G173 PolarHBondContact O-N 3.05Å; L171-H174 WeakPolarHBondContact O-CB 3.21Å; L171-H174 PolarHBondContact O-N 2.86Å; L171-L175 PolarHBondContact O-N 3.49Å
172H97.4Very high97.5Very high7 Ų735.5 Ų35.53%0.03219%0.192CC..Hα-helixtrans-60.9-31.2-176.164.8-73.9000113.1I33 F163 T166 V167 D170 H174 L175 N176I33-H172 WeakPolarHBondContact CD1-NE2 3.5Å; F163-H172 HydrophobicContact CE2-CB 4.04Å; F163-H172 HydrophobicContact CZ-CB 4.12Å; T166-H172 HydrophobicContact CG2-CB 4.15Å; V167-H172 HydrophobicContact CG2-CB 3.87Å; D170-H172 IonicContact OD1-CE1 3.52Å; D170-H172 IonicContact OD1-ND1 3.95Å; H172-H174 PolarHBondContact O-N 2.92Å; H172-L175 PolarHBondContact O-N 3.01Å; H172-N176 WeakPolarHBondContact O-CB 3.34Å; H172-N176 PolarHBondContact O-N 2.82Å; H172-N176 PolarHBondContact O-ND2 2.89Å; H172-N176 PolarHBondContact O-OD1 3.38Å
173G96.8Very high97.5Very high6 Ų635.3 Ų35.36%0.06219%0.191CC..Hα-helixtrans-62.2-39.8172.200000113.5I33 L171 T177I33-G173 WeakPolarHBondContact O-CA 3.3Å; L171-G173 PolarHBondContact O-N 3.05Å; G173-T177 PolarHBondContact O-N 2.87Å; G173-T177 VanDerWaalsContact O-N 3.11Å; G173-T177 PolarHBondContact O-OG1 2.89Å
174H97.4Very high97.4Very high100 Ų10035.7 Ų35.746%0.46319%0.194SC..Hα-helixtrans-67.6-44.9174.8-65-84.6000111.3V35 L171 H172 N176 T177 L178V35-H174 HydrophobicContact CG2-CB 4.34Å; V35-H174 VanDerWaalsContact CG2-ND1 3.34Å; V35-H174 WeakPolarHBondContact CG2-ND1 3.26Å; L171-H174 WeakPolarHBondContact O-CB 3.21Å; L171-H174 PolarHBondContact O-N 2.86Å; H172-H174 PolarHBondContact O-N 2.92Å; H174-N176 VanDerWaalsContact C-N 3.33Å; H174-N176 PolarHBondContact O-N 3.24Å; H174-T177 PolarHBondContact O-N 3.46Å; H174-L178 WeakPolarHBondContact O-CB 3.32Å; H174-L178 PolarHBondContact O-N 3.06Å
175L98.3Very high97.4Very high0 Ų029.8 Ų29.80%017%0.168CC..Hα-helixtrans-60.4-41.7176.4179.864.2000111.7Q70 L155 L158 Y159 F163 T166 L171 H172 Y179Q70-L175 HydrophobicContact CG-CD1 3.85Å; L155-L175 HydrophobicContact CD2-CD1 3.82Å; L158-L175 HydrophobicContact CB-CD1 4.4Å; L158-L175 HydrophobicContact CB-CD2 4.43Å; L158-L175 HydrophobicContact CD1-CD1 4.1Å; Y159-L175 HydrophobicContact CD1-CD2 4.01Å; Y159-L175 HydrophobicContact CD2-CD2 4.18Å; Y159-L175 HydrophobicContact CD2-CG 4.43Å; Y159-L175 HydrophobicContact CE1-CD2 3.78Å; Y159-L175 HydrophobicContact CE1-CG 4.08Å; Y159-L175 HydrophobicContact CE2-CD1 3.97Å; Y159-L175 HydrophobicContact CE2-CD2 3.91Å; Y159-L175 HydrophobicContact CE2-CG 3.72Å; Y159-L175 HydrophobicContact CG-CD2 4.23Å; Y159-L175 PolarHBondContact OH-O 3.16Å; F163-L175 HydrophobicContact CD2-CD2 4.3Å; T166-L175 HydrophobicContact CG2-CB 4.24Å; T166-L175 HydrophobicContact CG2-CD2 3.95Å; L171-L175 PolarHBondContact O-N 3.49Å; H172-L175 PolarHBondContact O-N 3.01Å; L175-Y179 WeakPolarHBondContact O-CB 3.38Å; L175-Y179 PolarHBondContact O-N 3.46Å
176N97.3Very high97.4Very high0 Ų027.2 Ų27.20%016%0.156CC..Hα-helixtrans-62.2-49176.8-72.8-12.5000111.8F30 I33 R34 Y159 H172 H174 Y179 A180 L207F30-N176 PolarHBondContact O-ND2 3.31Å; I33-N176 PolarHBondContact O-ND2 3.18Å; R34-N176 HydrophobicContact CG-CB 3.97Å; Y159-N176 VanDerWaalsContact OH-CA 3.25Å; Y159-N176 WeakPolarHBondContact OH-CA 3.39Å; Y159-N176 PolarHBondContact OH-N 3.04Å; Y159-N176 PolarHBondContact OH-OD1 3.44Å; H172-N176 WeakPolarHBondContact O-CB 3.34Å; H172-N176 PolarHBondContact O-N 2.82Å; H172-N176 PolarHBondContact O-ND2 2.89Å; H172-N176 PolarHBondContact O-OD1 3.38Å; H174-N176 VanDerWaalsContact C-N 3.33Å; H174-N176 PolarHBondContact O-N 3.24Å; N176-Y179 PolarHBondContact O-N 3.46Å; N176-A180 VanDerWaalsContact O-CB 3.31Å; N176-A180 WeakPolarHBondContact O-CB 3.42Å; N176-A180 PolarHBondContact O-N 2.93Å; N176-L207 HydrophobicContact CB-CD1 4.15Å; N176-L207 HydrophobicContact CB-CD2 4.22Å
177T96.2Very high97.3Very high29 Ų2933 Ų3318%0.17818%0.178CC..Hα-helixtrans-61.6-46.6177.8-63.40000111.6R34 V35 V36 G173 H174 H181R34-T177 WeakPolarHBondContact CB-OG1 3.4Å; V35-T177 PolarHBondContact N-OG1 3.31Å; V36-T177 HydrophobicContact CG2-CG2 4.05Å; G173-T177 PolarHBondContact O-N 2.87Å; G173-T177 VanDerWaalsContact O-N 3.11Å; G173-T177 PolarHBondContact O-OG1 2.89Å; H174-T177 PolarHBondContact O-N 3.46Å; T177-H181 WeakPolarHBondContact O-CB 3.27Å; T177-H181 PolarHBondContact O-N 2.93Å
178L97.5Very high97.3Very high13 Ų1336.3 Ų36.37%0.06819%0.191CC..Hα-helixtrans-60.3-48.1178174.256.4000111.6F63 L66 I67 Q70 L155 H174 F182F63-L178 HydrophobicContact CD1-CD1 3.98Å; F63-L178 HydrophobicContact CE1-CD1 4.49Å; L66-L178 HydrophobicContact CB-CD1 3.59Å; L66-L178 HydrophobicContact CB-CD2 3.98Å; L66-L178 HydrophobicContact CB-CG 4.43Å; L66-L178 HydrophobicContact CD1-CD1 3.87Å; L66-L178 HydrophobicContact CG-CD1 4.4Å; I67-L178 HydrophobicContact CG1-CD1 4.24Å; I67-L178 HydrophobicContact CG1-CD2 3.8Å; I67-L178 HydrophobicContact CG1-CG 4.21Å; Q70-L178 HydrophobicContact CB-CD2 4.13Å; L155-L178 HydrophobicContact CD2-CD2 4.34Å; L155-L178 HydrophobicContact CD2-CG 4.43Å; H174-L178 WeakPolarHBondContact O-CB 3.32Å; H174-L178 PolarHBondContact O-N 3.06Å; L178-F182 VanDerWaalsContact O-CB 3.26Å; L178-F182 WeakPolarHBondContact O-CB 3.38Å; L178-F182 PolarHBondContact O-N 3.48Å
179Y97.9Very high97.3Very high0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-62.8-48.4-179.8-179.6-95.7000112.1F152 L155 Y159 L175 N176 H181 F182 I183 M200 L203 S204 L207F152-Y179 HydrophobicContact CE2-CE2 4.29Å; L155-Y179 HydrophobicContact CB-CD2 4.1Å; L155-Y179 HydrophobicContact CD1-CD2 4.12Å; Y159-Y179 HydrophobicContact CD2-CD2 4.18Å; Y159-Y179 HydrophobicContact CE2-CD1 4.31Å; Y159-Y179 AromaticContact CE2-CD2 3.57Å; Y159-Y179 HydrophobicContact CE2-CD2 3.57Å; Y159-Y179 HydrophobicContact CE2-CE2 4.26Å; Y159-Y179 AromaticContact CE2-CG 3.6Å; Y159-Y179 HydrophobicContact CE2-CG 3.6Å; Y159-Y179 WeakPolarHBondContact OH-CB 3.45Å; L175-Y179 WeakPolarHBondContact O-CB 3.38Å; L175-Y179 PolarHBondContact O-N 3.46Å; N176-Y179 PolarHBondContact O-N 3.46Å; Y179-H181 PolarHBondContact O-N 3.46Å; Y179-F182 PolarHBondContact O-N 2.94Å; Y179-I183 HydrophobicContact CD1-CG1 3.99Å; Y179-I183 HydrophobicContact CD2-CG1 4.27Å; Y179-I183 HydrophobicContact CE1-CD1 4.37Å; Y179-I183 HydrophobicContact CE1-CG1 3.55Å; Y179-I183 HydrophobicContact CE2-CD1 3.98Å; Y179-I183 HydrophobicContact CE2-CG1 3.86Å; Y179-I183 HydrophobicContact CG-CG1 4.33Å; Y179-I183 VanDerWaalsContact CZ-CG1 3.47Å; Y179-I183 WeakPolarHBondContact O-CG1 3.18Å; Y179-I183 PolarHBondContact O-N 2.93Å; Y179-M200 WeakPolarHBondContact OH-CB 3.31Å; Y179-L203 HydrophobicContact CD1-CD2 4.13Å; Y179-L203 HydrophobicContact CD1-CG 4.44Å; Y179-L203 HydrophobicContact CE1-CD2 3.87Å; Y179-L203 HydrophobicContact CE1-CG 4.03Å; Y179-S204 PolarHBondContact OH-OG 3.21Å; Y179-L207 HydrophobicContact CD1-CD1 3.81Å; Y179-L207 HydrophobicContact CE1-CD1 4.49Å
180A96Very high97.3Very high0 Ų035.3 Ų35.30%017%0.172CC..Hα-helixtrans-62.8-44.2-178.400000111.4L40 N176 F182 I183 V184 L207L40-A180 HydrophobicContact CD1-CB 3.53Å; L40-A180 HydrophobicContact CD2-CB 4.36Å; N176-A180 VanDerWaalsContact O-CB 3.31Å; N176-A180 WeakPolarHBondContact O-CB 3.42Å; N176-A180 PolarHBondContact O-N 2.93Å; A180-F182 PolarHBondContact O-N 3.23Å; A180-I183 PolarHBondContact O-N 3.23Å; A180-V184 WeakPolarHBondContact O-CG2 3.35Å; A180-V184 PolarHBondContact O-N 3.12Å; A180-L207 HydrophobicContact CB-CB 4.07Å
181H96.3Very high97.3Very high35 Ų3529.9 Ų29.916%0.16214%0.143CC..Hα-helixtrans-60-45.8174.7-178.5-155.8000111.5L40 F63 T177 Y179 V184 F185L40-H181 HydrophobicContact CD2-CB 4.47Å; F63-H181 HydrophobicContact CE1-CB 4.23Å; F63-H181 AromaticContact CE1-CE1 3.85Å; F63-H181 AromaticContact CE1-CG 3.76Å; F63-H181 AromaticContact CE1-ND1 3.47Å; F63-H181 WeakPolarHBondContact CE1-ND1 3.33Å; F63-H181 AromaticContact CZ-CD2 3.86Å; F63-H181 AromaticContact CZ-CE1 3.6Å; F63-H181 AromaticContact CZ-CG 3.81Å; F63-H181 AromaticContact CZ-ND1 3.66Å; F63-H181 AromaticContact CZ-NE2 3.72Å; T177-H181 WeakPolarHBondContact O-CB 3.27Å; T177-H181 PolarHBondContact O-N 2.93Å; Y179-H181 PolarHBondContact O-N 3.46Å; H181-V184 PolarHBondContact O-N 3.48Å; H181-F185 WeakPolarHBondContact O-CB 3.4Å; H181-F185 PolarHBondContact O-N 3.14Å
182F98.1Very high97.3Very high0 Ų028.4 Ų28.40%014%0.136CC..Hα-helixtrans-60.8-47.5177.7-178.9-94.8000112.4F63 I67 C148 L151 F152 L155 L178 Y179 A180 V184 F185 I186 I192F63-F182 HydrophobicContact CB-CD2 3.93Å; F63-F182 HydrophobicContact CB-CE2 4.28Å; F63-F182 HydrophobicContact CD1-CB 4Å; F63-F182 AromaticContact CD1-CD2 3.74Å; F63-F182 HydrophobicContact CD1-CD2 3.74Å; F63-F182 HydrophobicContact CD1-CG 4.38Å; F63-F182 AromaticContact CD2-CD2 3.91Å; F63-F182 HydrophobicContact CD2-CD2 3.91Å; F63-F182 HydrophobicContact CD2-CE2 4.44Å; F63-F182 HydrophobicContact CE1-CB 3.83Å; F63-F182 HydrophobicContact CE1-CD2 4.19Å; F63-F182 HydrophobicContact CE2-CD2 4.36Å; F63-F182 AromaticContact CG-CD2 3.6Å; F63-F182 HydrophobicContact CG-CD2 3.6Å; F63-F182 HydrophobicContact CG-CE2 4.29Å; F63-F182 HydrophobicContact CZ-CB 4.38Å; F63-F182 HydrophobicContact CZ-CD2 4.49Å; I67-F182 HydrophobicContact CD1-CD2 4.25Å; I67-F182 HydrophobicContact CD1-CE2 4.41Å; C148-F182 HydrophobicContact CB-CE2 4.41Å; C148-F182 HydrophobicContact CB-CZ 4.06Å; C148-F182 WeakPolarHBondContact O-CZ 3.37Å; L151-F182 HydrophobicContact CB-CE2 4.2Å; L151-F182 HydrophobicContact CB-CZ 4.2Å; F152-F182 HydrophobicContact CB-CE1 3.91Å; F152-F182 HydrophobicContact CB-CZ 4.37Å; F152-F182 HydrophobicContact CD2-CE1 4.37Å; L155-F182 HydrophobicContact CD1-CB 4.17Å; L155-F182 HydrophobicContact CD1-CD1 3.73Å; L155-F182 HydrophobicContact CD1-CE1 4.29Å; L155-F182 HydrophobicContact CD1-CG 3.89Å; L178-F182 VanDerWaalsContact O-CB 3.26Å; L178-F182 WeakPolarHBondContact O-CB 3.38Å; L178-F182 PolarHBondContact O-N 3.48Å; Y179-F182 PolarHBondContact O-N 2.94Å; A180-F182 PolarHBondContact O-N 3.23Å; F182-V184 PolarHBondContact O-N 3.49Å; F182-F185 PolarHBondContact O-N 3.36Å; F182-I186 HydrophobicContact CD1-CD1 4.43Å; F182-I186 HydrophobicContact CD1-CG2 4.25Å; F182-I186 HydrophobicContact CD2-CG2 4.48Å; F182-I186 HydrophobicContact CE1-CD1 4.04Å; F182-I186 HydrophobicContact CE1-CG2 3.74Å; F182-I186 HydrophobicContact CE2-CG2 4.02Å; F182-I186 HydrophobicContact CZ-CG2 3.61Å; F182-I186 WeakPolarHBondContact O-CG1 3.31Å; F182-I186 WeakPolarHBondContact O-CG2 3.2Å; F182-I186 PolarHBondContact O-N 2.81Å; F182-I192 HydrophobicContact CE1-CD1 4.22Å; F182-I192 HydrophobicContact CZ-CD1 4.26Å
183I97.6Very high97.3Very high1 Ų131.5 Ų31.51%0.00515%0.152CC..Hα-helixtrans-63.3-42.5-179.6-69.2-58.5000111.7F152 Y179 A180 F185 I186 R187F152-I183 HydrophobicContact CD2-CD1 4.01Å; F152-I183 HydrophobicContact CE2-CD1 3.93Å; Y179-I183 HydrophobicContact CD1-CG1 3.99Å; Y179-I183 HydrophobicContact CD2-CG1 4.27Å; Y179-I183 HydrophobicContact CE1-CD1 4.37Å; Y179-I183 HydrophobicContact CE1-CG1 3.55Å; Y179-I183 HydrophobicContact CE2-CD1 3.98Å; Y179-I183 HydrophobicContact CE2-CG1 3.86Å; Y179-I183 HydrophobicContact CG-CG1 4.33Å; Y179-I183 VanDerWaalsContact CZ-CG1 3.47Å; Y179-I183 WeakPolarHBondContact O-CG1 3.18Å; Y179-I183 PolarHBondContact O-N 2.93Å; A180-I183 PolarHBondContact O-N 3.23Å; I183-F185 VanDerWaalsContact C-N 3.34Å; I183-I186 HydrophobicContact CD1-CD1 3.75Å; I183-I186 WeakPolarHBondContact O-CG1 3.33Å; I183-R187 HydrophobicContact CG2-CG 4.5Å; I183-R187 WeakPolarHBondContact O-CB 3.35Å; I183-R187 WeakPolarHBondContact O-CD 3.33Å; I183-R187 VanDerWaalsContact O-CG 3.22Å; I183-R187 WeakPolarHBondContact O-CG 3.47Å; I183-R187 PolarHBondContact O-N 3.37Å; I183-R187 VanDerWaalsContact O-N 3.14Å
184V96Very high97.2Very high16 Ų1635.3 Ų35.310%0.09718%0.176CC..Hα-helixtrans-64.9-41.6177.41730000110.5L40 K41 V44 A180 H181 F182 R187 E188 C208L40-V184 HydrophobicContact CB-CB 4.3Å; L40-V184 HydrophobicContact CB-CG1 4.28Å; L40-V184 HydrophobicContact CB-CG2 3.88Å; L40-V184 HydrophobicContact CD1-CG2 4.1Å; K41-V184 HydrophobicContact CG-CG1 4.45Å; V44-V184 HydrophobicContact CB-CG1 4.49Å; V44-V184 HydrophobicContact CG1-CB 4.5Å; V44-V184 HydrophobicContact CG1-CG1 4.02Å; V44-V184 HydrophobicContact CG2-CG1 3.65Å; A180-V184 WeakPolarHBondContact O-CG2 3.35Å; A180-V184 PolarHBondContact O-N 3.12Å; H181-V184 PolarHBondContact O-N 3.48Å; F182-V184 PolarHBondContact O-N 3.49Å; V184-R187 PolarHBondContact O-N 2.89Å; V184-E188 WeakPolarHBondContact O-CB 3.31Å; V184-E188 PolarHBondContact O-N 3.11Å; V184-C208 HydrophobicContact CG2-CB 4.01Å
185F97.9Very high97.1Very high0 Ų038.6 Ų38.60%019%0.189CC..Hα-helixtrans-63-49177.3-178.9-98.3000113.1V44 L56 N59 F63 H181 F182 I183 R187 E188 F189 L191V44-F185 HydrophobicContact CB-CB 4.44Å; V44-F185 HydrophobicContact CB-CD2 4.16Å; V44-F185 HydrophobicContact CG1-CB 3.79Å; V44-F185 HydrophobicContact CG1-CD2 4.15Å; V44-F185 HydrophobicContact CG1-CG 4.5Å; L56-F185 HydrophobicContact CD2-CE1 4.28Å; L56-F185 HydrophobicContact CD2-CZ 3.7Å; N59-F185 HydrophobicContact CB-CD2 4.07Å; N59-F185 HydrophobicContact CB-CE1 4Å; N59-F185 HydrophobicContact CB-CE2 3.38Å; N59-F185 HydrophobicContact CB-CZ 3.33Å; F63-F185 HydrophobicContact CD2-CD1 4.15Å; F63-F185 HydrophobicContact CD2-CE1 4.47Å; F63-F185 HydrophobicContact CE2-CB 3.78Å; F63-F185 AromaticContact CE2-CD1 3.49Å; F63-F185 HydrophobicContact CE2-CD1 3.49Å; F63-F185 VanDerWaalsContact CE2-CD1 3.49Å; F63-F185 HydrophobicContact CE2-CD2 4.19Å; F63-F185 HydrophobicContact CE2-CE1 4.08Å; F63-F185 AromaticContact CE2-CG 3.55Å; F63-F185 HydrophobicContact CE2-CG 3.55Å; F63-F185 HydrophobicContact CZ-CB 3.84Å; F63-F185 HydrophobicContact CZ-CD1 4.4Å; F63-F185 HydrophobicContact CZ-CG 4.1Å; H181-F185 WeakPolarHBondContact O-CB 3.4Å; H181-F185 PolarHBondContact O-N 3.14Å; F182-F185 PolarHBondContact O-N 3.36Å; I183-F185 VanDerWaalsContact C-N 3.34Å; F185-R187 PolarHBondContact O-N 2.94Å; F185-E188 PolarHBondContact O-N 2.74Å; F185-F189 AromaticContact CD2-CD2 3.84Å; F185-F189 HydrophobicContact CD2-CD2 3.84Å; F185-F189 AromaticContact CD2-CE2 3.74Å; F185-F189 HydrophobicContact CD2-CE2 3.74Å; F185-F189 HydrophobicContact CE1-CD2 4.49Å; F185-F189 AromaticContact CE2-CD2 3.61Å; F185-F189 HydrophobicContact CE2-CD2 3.61Å; F185-F189 AromaticContact CE2-CE2 3.48Å; F185-F189 HydrophobicContact CE2-CE2 3.48Å; F185-F189 VanDerWaalsContact CE2-CE2 3.48Å; F185-F189 HydrophobicContact CG-CD2 4.36Å; F185-F189 AromaticContact CZ-CD2 3.96Å; F185-F189 HydrophobicContact CZ-CD2 3.96Å; F185-F189 HydrophobicContact CZ-CE2 4.23Å; F185-F189 WeakPolarHBondContact O-CD2 3.21Å; F185-F189 PolarHBondContact O-N 3.34Å; F185-L191 HydrophobicContact CD1-CD1 3.8Å; F185-L191 HydrophobicContact CE1-CD1 3.38Å; F185-L191 HydrophobicContact CZ-CD1 4.25Å
186I97.9Very high96.9Very high4 Ų441.5 Ų41.52%0.02120%0.203CC..Hα-helixtrans-64.9-29179.564.3171.5000112.5C148 F182 I183 N190 L191 I192 T197C148-I186 HydrophobicContact CB-CG2 4.09Å; F182-I186 HydrophobicContact CD1-CD1 4.43Å; F182-I186 HydrophobicContact CD1-CG2 4.25Å; F182-I186 HydrophobicContact CD2-CG2 4.48Å; F182-I186 HydrophobicContact CE1-CD1 4.04Å; F182-I186 HydrophobicContact CE1-CG2 3.74Å; F182-I186 HydrophobicContact CE2-CG2 4.02Å; F182-I186 HydrophobicContact CZ-CG2 3.61Å; F182-I186 WeakPolarHBondContact O-CG1 3.31Å; F182-I186 WeakPolarHBondContact O-CG2 3.2Å; F182-I186 PolarHBondContact O-N 2.81Å; I183-I186 HydrophobicContact CD1-CD1 3.75Å; I183-I186 WeakPolarHBondContact O-CG1 3.33Å; I186-N190 CarbonylContact O-C 3.57Å; I186-N190 WeakPolarHBondContact O-CA 3.4Å; I186-N190 PolarHBondContact O-N 2.94Å; I186-L191 HydrophobicContact CB-CB 4.1Å; I186-L191 HydrophobicContact CG2-CB 4.21Å; I186-L191 HydrophobicContact CG2-CD1 4.41Å; I186-L191 PolarHBondContact O-N 3.26Å; I186-I192 HydrophobicContact CB-CD1 4.39Å; I186-I192 HydrophobicContact CB-CG1 4.29Å; I186-I192 HydrophobicContact CD1-CB 4.28Å; I186-I192 HydrophobicContact CD1-CD1 3.66Å; I186-I192 HydrophobicContact CD1-CG1 4.15Å; I186-I192 HydrophobicContact CG2-CD1 4.06Å; I186-I192 HydrophobicContact CG2-CG1 4.26Å; I186-T197 HydrophobicContact CD1-CG2 3.93Å
187R96.3Very high96.9Very high121 Ų12141.9 Ų41.946%0.45721%0.205SC..Hα-helixtrans-73.7-44.3177.4-76.8172.9173.8175.9-3.8110.7I183 V184 F185 F189 N190 D201I183-R187 HydrophobicContact CG2-CG 4.5Å; I183-R187 WeakPolarHBondContact O-CB 3.35Å; I183-R187 WeakPolarHBondContact O-CD 3.33Å; I183-R187 VanDerWaalsContact O-CG 3.22Å; I183-R187 WeakPolarHBondContact O-CG 3.47Å; I183-R187 PolarHBondContact O-N 3.37Å; I183-R187 VanDerWaalsContact O-N 3.14Å; V184-R187 PolarHBondContact O-N 2.89Å; F185-R187 PolarHBondContact O-N 2.94Å; R187-F189 VanDerWaalsContact C-N 3.32Å; R187-F189 PolarHBondContact O-N 2.97Å; R187-N190 PolarHBondContact O-N 3.39Å; R187-D201 IonicContact NH2-OD1 3.85Å
188E96.8Very high96.8Very high106 Ų10643.3 Ų43.350%0.49522%0.215SC..Hα-helixtrans-56.7-45178.4-175.462.9-163.800111.8V44 V184 F185V44-E188 HydrophobicContact CG2-CB 3.94Å; V44-E188 HydrophobicContact CG2-CG 4.01Å; V184-E188 WeakPolarHBondContact O-CB 3.31Å; V184-E188 PolarHBondContact O-N 3.11Å; F185-E188 PolarHBondContact O-N 2.74Å
189F98Very high96.7Very high39 Ų3944.1 Ų44.117%0.17122%0.219CC..THydrogen-bonded Turntrans-101.29.8-176.8-60.6-75.2000114.1V44 L46 L52 W55 L56 F185 R187 L191V44-F189 VanDerWaalsContact O-CE2 3.29Å; V44-F189 WeakPolarHBondContact O-CE2 3.33Å; V44-F189 WeakPolarHBondContact O-CZ 3.47Å; L46-F189 HydrophobicContact CB-CE1 4.23Å; L46-F189 HydrophobicContact CB-CZ 4.17Å; L52-F189 HydrophobicContact CD1-CD1 3.76Å; L52-F189 HydrophobicContact CD1-CE1 3.71Å; W55-F189 AromaticContact CD1-CE2 3.77Å; W55-F189 AromaticContact CD1-CZ 3.37Å; W55-F189 AromaticContact NE1-CE2 3.66Å; W55-F189 AromaticContact NE1-CZ 3.49Å; L56-F189 HydrophobicContact CD2-CB 4Å; L56-F189 HydrophobicContact CD2-CD1 4.2Å; L56-F189 HydrophobicContact CD2-CD2 4.1Å; L56-F189 HydrophobicContact CD2-CG 3.83Å; F185-F189 AromaticContact CD2-CD2 3.84Å; F185-F189 HydrophobicContact CD2-CD2 3.84Å; F185-F189 AromaticContact CD2-CE2 3.74Å; F185-F189 HydrophobicContact CD2-CE2 3.74Å; F185-F189 HydrophobicContact CE1-CD2 4.49Å; F185-F189 AromaticContact CE2-CD2 3.61Å; F185-F189 HydrophobicContact CE2-CD2 3.61Å; F185-F189 AromaticContact CE2-CE2 3.48Å; F185-F189 HydrophobicContact CE2-CE2 3.48Å; F185-F189 VanDerWaalsContact CE2-CE2 3.48Å; F185-F189 HydrophobicContact CG-CD2 4.36Å; F185-F189 AromaticContact CZ-CD2 3.96Å; F185-F189 HydrophobicContact CZ-CD2 3.96Å; F185-F189 HydrophobicContact CZ-CE2 4.23Å; F185-F189 WeakPolarHBondContact O-CD2 3.21Å; F185-F189 PolarHBondContact O-N 3.34Å; R187-F189 VanDerWaalsContact C-N 3.32Å; R187-F189 PolarHBondContact O-N 2.97Å; F189-L191 VanDerWaalsContact C-N 3.33Å; F189-L191 HydrophobicContact CB-CD1 4.1Å; F189-L191 HydrophobicContact CB-CD2 3.9Å; F189-L191 HydrophobicContact CB-CG 3.75Å; F189-L191 PolarHBondContact O-N 2.93Å
190N97.7Very high96.6Very high105 Ų10544.1 Ų44.156%0.56122%0.219SC*.THydrogen-bonded Turntrans48.551-179.8-170.632.5000113.1K145 I186 R187K145-N190 WeakPolarHBondContact CE-O 3.47Å; I186-N190 CarbonylContact O-C 3.57Å; I186-N190 WeakPolarHBondContact O-CA 3.4Å; I186-N190 PolarHBondContact O-N 2.94Å; R187-N190 PolarHBondContact O-N 3.39Å
191L98.3Very high96.6Very high5 Ų546.8 Ų46.83%0.02623%0.233CC..  trans-86.2-19.6-171.7-60.1178.6000113.7L56 V144 K145 C148 F185 I186 F189L56-L191 HydrophobicContact CD2-CD1 4.16Å; L56-L191 HydrophobicContact CD2-CD2 4.26Å; V144-L191 HydrophobicContact CG1-CD1 4.12Å; V144-L191 HydrophobicContact CG1-CD2 4.09Å; K145-L191 WeakPolarHBondContact CB-O 3.41Å; K145-L191 HydrophobicContact CG-CB 4.4Å; K145-L191 HydrophobicContact CG-CD2 4.08Å; K145-L191 WeakPolarHBondContact CG-O 3.49Å; C148-L191 HydrophobicContact CB-CB 4.32Å; F185-L191 HydrophobicContact CD1-CD1 3.8Å; F185-L191 HydrophobicContact CE1-CD1 3.38Å; F185-L191 HydrophobicContact CZ-CD1 4.25Å; I186-L191 HydrophobicContact CB-CB 4.1Å; I186-L191 HydrophobicContact CG2-CB 4.21Å; I186-L191 HydrophobicContact CG2-CD1 4.41Å; I186-L191 PolarHBondContact O-N 3.26Å; F189-L191 VanDerWaalsContact C-N 3.33Å; F189-L191 HydrophobicContact CB-CD1 4.1Å; F189-L191 HydrophobicContact CB-CD2 3.9Å; F189-L191 HydrophobicContact CB-CG 3.75Å; F189-L191 PolarHBondContact O-N 2.93Å
192I98.3Very high96.5Very high10 Ų1047.5 Ų47.55%0.05124%0.239CC..SBendtrans-137.2138.7178.8-50.8-179.1000108.5C148 F152 F182 I186 E196 T197C148-I192 HydrophobicContact CB-CD1 4.05Å; C148-I192 HydrophobicContact CB-CG1 4.06Å; C148-I192 WeakPolarHBondContact O-CD1 3.23Å; F152-I192 HydrophobicContact CB-CD1 3.75Å; F152-I192 HydrophobicContact CG-CD1 4.35Å; F182-I192 HydrophobicContact CE1-CD1 4.22Å; F182-I192 HydrophobicContact CZ-CD1 4.26Å; I186-I192 HydrophobicContact CB-CD1 4.39Å; I186-I192 HydrophobicContact CB-CG1 4.29Å; I186-I192 HydrophobicContact CD1-CB 4.28Å; I186-I192 HydrophobicContact CD1-CD1 3.66Å; I186-I192 HydrophobicContact CD1-CG1 4.15Å; I186-I192 HydrophobicContact CG2-CD1 4.06Å; I186-I192 HydrophobicContact CG2-CG1 4.26Å; I192-E196 HydrophobicContact CG2-CB 3.9Å; I192-T197 HydrophobicContact CB-CG2 4.19Å; I192-T197 HydrophobicContact CD1-CG2 4.48Å; I192-T197 HydrophobicContact CG2-CG2 3.78Å
193D96.7Very high96.4Very high72 Ų7247.5 Ų47.539%0.38524%0.239SC..  trans-60129.4174.2-172.1-40.2000109.5K195 E196 T197D193-K195 PolarHBondContact O-N 3.39Å; D193-K195 WeakPolarHBondContact OD1-CB 3.46Å; D193-K195 WeakPolarHBondContact OD1-CG 3.41Å; D193-K195 PolarHBondContact OD1-N 3.47Å; D193-E196 HydrophobicContact CB-CG 4.24Å; D193-E196 WeakPolarHBondContact O-CB 3.47Å; D193-E196 PolarHBondContact O-N 2.91Å; D193-T197 PolarHBondContact O-N 3.26Å
194P95.7Very high96.3Very high85 Ų8547.5 Ų47.555%0.55224%0.239SC*.Hα-helixtrans-51-32.1176-29.736.2000113.9E196 T197 C198P194-E196 PolarHBondContact O-N 3.35Å; P194-T197 PolarHBondContact O-N 2.86Å; P194-T197 VanDerWaalsContact O-N 3.13Å; P194-T197 PolarHBondContact O-OG1 3.23Å; P194-C198 PolarHBondContact O-N 3.01Å
195K95Very high96.2Very high170 Ų17052.8 Ų52.874%0.73926%0.262SS*.Hα-helixtrans-65.4-26176.3-64.4175.5-176.61710113.6D193 C198D193-K195 PolarHBondContact O-N 3.39Å; D193-K195 WeakPolarHBondContact OD1-CB 3.46Å; D193-K195 WeakPolarHBondContact OD1-CG 3.41Å; D193-K195 PolarHBondContact OD1-N 3.47Å; K195-C198 PolarHBondContact O-SG 3.17Å
196E93.8Very high96Very high61 Ų6156.3 Ų56.329%0.28528%0.28SS..Hα-helixtrans-79.3-28.1175.7-65.8-176.7-122.200111.1R149 F152 I192 D193 P194R149-E196 VanDerWaalsContact CD-OE2 3.23Å; R149-E196 WeakPolarHBondContact CD-OE2 3.48Å; R149-E196 WeakPolarHBondContact CG-OE2 3.36Å; R149-E196 IonicContact CZ-OE1 2.83Å; R149-E196 IonicContact CZ-OE2 3.49Å; R149-E196 IonicContact NE-OE2 3.99Å; R149-E196 IonicContact NH1-OE1 3.63Å; R149-E196 PolarHBondContact NH1-OE1 3.28Å; R149-E196 IonicContact NH1-OE2 2.74Å; R149-E196 PolarHBondContact NH1-OE2 2.79Å; R149-E196 IonicContact NH2-OE1 2.66Å; F152-E196 WeakPolarHBondContact CE1-O 3.44Å; I192-E196 HydrophobicContact CG2-CB 3.9Å; D193-E196 HydrophobicContact CB-CG 4.24Å; D193-E196 WeakPolarHBondContact O-CB 3.47Å; D193-E196 PolarHBondContact O-N 2.91Å; P194-E196 PolarHBondContact O-N 3.35Å
197T96.3Very high95.8Very high8 Ų856.1 Ų56.15%0.04928%0.279CS..Hα-helixtrans-91.7-13.9-178.457.20000114.4F152 I186 I192 D193 P194 I199 M200F152-T197 HydrophobicContact CD1-CG2 4.27Å; F152-T197 HydrophobicContact CD2-CG2 4.11Å; F152-T197 HydrophobicContact CE1-CG2 4.13Å; F152-T197 HydrophobicContact CE2-CG2 3.94Å; F152-T197 HydrophobicContact CG-CG2 4.28Å; F152-T197 HydrophobicContact CZ-CG2 3.96Å; I186-T197 HydrophobicContact CD1-CG2 3.93Å; I192-T197 HydrophobicContact CB-CG2 4.19Å; I192-T197 HydrophobicContact CD1-CG2 4.48Å; I192-T197 HydrophobicContact CG2-CG2 3.78Å; D193-T197 PolarHBondContact O-N 3.26Å; P194-T197 PolarHBondContact O-N 2.86Å; P194-T197 VanDerWaalsContact O-N 3.13Å; P194-T197 PolarHBondContact O-OG1 3.23Å; T197-I199 PolarHBondContact O-N 3.36Å; T197-M200 PolarHBondContact O-N 2.98Å
198C95.8Very high95.5Very high59 Ų5951.6 Ų51.640%0.39927%0.266SS..G310 helixtrans-61.3-22.3-169.571.20000115.9P194 K195 M200 D201P194-C198 PolarHBondContact O-N 3.01Å; K195-C198 PolarHBondContact O-SG 3.17Å; C198-M200 PolarHBondContact O-N 2.68Å; C198-M200 VanDerWaalsContact O-N 3.11Å; C198-D201 VanDerWaalsContact CA-CG 3.47Å; C198-D201 VanDerWaalsContact CA-OD2 3.25Å; C198-D201 WeakPolarHBondContact CA-OD2 3.45Å; C198-D201 WeakPolarHBondContact CB-OD2 3.45Å; C198-D201 WeakPolarHBondContact O-CB 3.46Å; C198-D201 PolarHBondContact O-N 3.38Å; C198-D201 VanDerWaalsContact O-N 3.1Å
199I94.5Very high94.8Very high30 Ų3049.7 Ų49.715%0.15426%0.264CS..G310 helixtrans-63.2-17.8176.958.6154.6000113.3A88 Y93 A156 T197A88-I199 HydrophobicContact CB-CD1 3.85Å; Y93-I199 WeakPolarHBondContact OH-CD1 3.39Å; A156-I199 HydrophobicContact CB-CD1 4.42Å; T197-I199 PolarHBondContact O-N 3.36Å
200M96.3Very high93.4Very high0 Ų052.9 Ų52.90%029%0.289CS..G310 helixtrans-115.317.9177.9-58.7-61-65.900112.3Y25 F152 A156 Y159 Y179 T197 C198 D202 L203 S204Y25-M200 HydrophobicContact CD2-CE 4.5Å; Y25-M200 HydrophobicContact CE2-CE 3.87Å; F152-M200 HydrophobicContact CE2-CB 4.47Å; F152-M200 HydrophobicContact CE2-CG 4.25Å; F152-M200 HydrophobicContact CZ-CB 4.26Å; F152-M200 HydrophobicContact CZ-CG 3.86Å; A156-M200 HydrophobicContact CB-CG 4.01Å; A156-M200 HydrophobicContact CB-SD 4.21Å; Y159-M200 HydrophobicContact CD2-CE 4.03Å; Y159-M200 HydrophobicContact CG-CE 3.93Å; Y179-M200 WeakPolarHBondContact OH-CB 3.31Å; T197-M200 PolarHBondContact O-N 2.98Å; C198-M200 PolarHBondContact O-N 2.68Å; C198-M200 VanDerWaalsContact O-N 3.11Å; M200-D202 VanDerWaalsContact C-N 3.3Å; M200-D202 PolarHBondContact O-N 3.4Å; M200-L203 HydrophobicContact CE-CB 4.31Å; M200-L203 HydrophobicContact CE-CD2 3.58Å; M200-L203 PolarHBondContact O-N 2.76Å; M200-S204 WeakPolarHBondContact O-CB 3.24Å; M200-S204 PolarHBondContact O-N 2.85Å; M200-S204 PolarHBondContact O-OG 3.44Å
201D95.2Very high91.7Very high55 Ų5551.2 Ų51.229%0.29428%0.282SS..Hα-helixtrans-62.1-38.1-178.2-83.4-17.9000112R187 C198 L203 S204 E205R187-D201 IonicContact NH2-OD1 3.85Å; C198-D201 VanDerWaalsContact CA-CG 3.47Å; C198-D201 VanDerWaalsContact CA-OD2 3.25Å; C198-D201 WeakPolarHBondContact CA-OD2 3.45Å; C198-D201 WeakPolarHBondContact CB-OD2 3.45Å; C198-D201 WeakPolarHBondContact O-CB 3.46Å; C198-D201 PolarHBondContact O-N 3.38Å; C198-D201 VanDerWaalsContact O-N 3.1Å; D201-L203 VanDerWaalsContact C-N 3.32Å; D201-L203 PolarHBondContact O-N 2.98Å; D201-S204 PolarHBondContact O-N 3.2Å; D201-S204 VanDerWaalsContact O-N 3.12Å; D201-E205 WeakPolarHBondContact O-CB 3.23Å; D201-E205 VanDerWaalsContact O-CG 3.29Å; D201-E205 WeakPolarHBondContact O-CG 3.42Å; D201-E205 PolarHBondContact O-N 3.38Å
202D94.8Very high89.7Confident51 Ų5156.3 Ų56.327%0.27332%0.316SS..Hα-helixtrans-56.2-44.8176.656.6-10.4000112.6K23 V26 M200 I206K23-D202 WeakPolarHBondContact CD-OD2 3.37Å; K23-D202 WeakPolarHBondContact CE-OD2 3.47Å; K23-D202 IonicContact NZ-OD1 3.77Å; K23-D202 PolarHBondContact NZ-OD1 3.28Å; K23-D202 IonicContact NZ-OD2 3.63Å; K23-D202 PolarHBondContact NZ-OD2 3.02Å; V26-D202 HydrophobicContact CG1-CB 4.41Å; M200-D202 VanDerWaalsContact C-N 3.3Å; M200-D202 PolarHBondContact O-N 3.4Å; D202-I206 VanDerWaalsContact O-CD1 3.3Å; D202-I206 WeakPolarHBondContact O-CD1 3.4Å; D202-I206 VanDerWaalsContact O-CG1 3.28Å; D202-I206 WeakPolarHBondContact O-CG1 3.44Å
203L96.1Very high87.5Confident0 Ų060 Ų600%035%0.347CS..Hα-helixtrans-71.5-42.4174-178.563.8000111.9Y25 V26 T31 Y159 Y179 M200 D201 E205 I206 L207Y25-L203 HydrophobicContact CD2-CB 4.24Å; Y25-L203 HydrophobicContact CD2-CD1 4.14Å; Y25-L203 HydrophobicContact CD2-CD2 3.97Å; Y25-L203 HydrophobicContact CD2-CG 4.34Å; Y25-L203 HydrophobicContact CE2-CB 4.21Å; Y25-L203 HydrophobicContact CE2-CD2 4.36Å; V26-L203 HydrophobicContact CG1-CB 4.32Å; T31-L203 HydrophobicContact CG2-CD1 4.17Å; Y159-L203 HydrophobicContact CD1-CD2 3.64Å; Y159-L203 HydrophobicContact CD2-CD2 3.85Å; Y159-L203 HydrophobicContact CE1-CD2 3.51Å; Y159-L203 HydrophobicContact CE2-CD2 3.76Å; Y159-L203 HydrophobicContact CG-CD2 3.78Å; Y179-L203 HydrophobicContact CD1-CD2 4.13Å; Y179-L203 HydrophobicContact CD1-CG 4.44Å; Y179-L203 HydrophobicContact CE1-CD2 3.87Å; Y179-L203 HydrophobicContact CE1-CG 4.03Å; M200-L203 HydrophobicContact CE-CB 4.31Å; M200-L203 HydrophobicContact CE-CD2 3.58Å; M200-L203 PolarHBondContact O-N 2.76Å; D201-L203 VanDerWaalsContact C-N 3.32Å; D201-L203 PolarHBondContact O-N 2.98Å; L203-E205 VanDerWaalsContact C-N 3.33Å; L203-E205 PolarHBondContact O-N 3.33Å; L203-I206 PolarHBondContact O-N 2.88Å; L203-L207 HydrophobicContact CD1-CD1 3.57Å; L203-L207 HydrophobicContact CD1-CG 3.73Å; L203-L207 HydrophobicContact CD2-CD1 4.18Å; L203-L207 HydrophobicContact CG-CD1 3.75Å; L203-L207 HydrophobicContact CG-CG 4.16Å; L203-L207 PolarHBondContact O-N 3.02Å
204S95.6Very high85.5Confident0 Ų062.4 Ų62.40%037%0.367CS..Hα-helixtrans-62-40.8-177.3-64.10000112.1Y179 M200 D201 I206 C208Y179-S204 PolarHBondContact OH-OG 3.21Å; M200-S204 WeakPolarHBondContact O-CB 3.24Å; M200-S204 PolarHBondContact O-N 2.85Å; M200-S204 PolarHBondContact O-OG 3.44Å; D201-S204 PolarHBondContact O-N 3.2Å; D201-S204 VanDerWaalsContact O-N 3.12Å; S204-I206 VanDerWaalsContact C-N 3.34Å; S204-C208 WeakPolarHBondContact O-CB 3.47Å; S204-C208 PolarHBondContact O-N 3.16Å; S204-C208 PolarHBondContact O-SG 3.42Å
205E93.7Very high83.6Confident128 Ų12862.6 Ų62.660%0.59838%0.376SS*.Hα-helixtrans-62.7-41.3176.4-74.4177.3178.200111.3D201 L203 S209D201-E205 WeakPolarHBondContact O-CB 3.23Å; D201-E205 VanDerWaalsContact O-CG 3.29Å; D201-E205 WeakPolarHBondContact O-CG 3.42Å; D201-E205 PolarHBondContact O-N 3.38Å; L203-E205 VanDerWaalsContact C-N 3.33Å; L203-E205 PolarHBondContact O-N 3.33Å; E205-S209 WeakPolarHBondContact O-CB 3.45Å; E205-S209 PolarHBondContact O-N 3.46Å; E205-S209 PolarHBondContact O-OG 3.02Å
206I93.7Very high81.8Confident73 Ų7360.5 Ų60.537%0.37438%0.38SS..Hα-helixtrans-69.1-51.6178.4-61.7165000110.8V26 T31 D202 L203 S204V26-I206 HydrophobicContact CB-CD1 4.02Å; T31-I206 HydrophobicContact CG2-CG2 3.9Å; D202-I206 VanDerWaalsContact O-CD1 3.3Å; D202-I206 WeakPolarHBondContact O-CD1 3.4Å; D202-I206 VanDerWaalsContact O-CG1 3.28Å; D202-I206 WeakPolarHBondContact O-CG1 3.44Å; L203-I206 PolarHBondContact O-N 2.88Å; S204-I206 VanDerWaalsContact C-N 3.34Å
207L92.7Very high80.3Confident1 Ų163 Ų631%0.00540%0.404CS..Hα-helixtrans-77.7-29.1-170.8-68.4-174.8000114.2T31 R34 N176 Y179 A180 L203T31-L207 HydrophobicContact CG2-CD2 4.38Å; R34-L207 PolarHBondContact NH1-O 2.89Å; N176-L207 HydrophobicContact CB-CD1 4.15Å; N176-L207 HydrophobicContact CB-CD2 4.22Å; Y179-L207 HydrophobicContact CD1-CD1 3.81Å; Y179-L207 HydrophobicContact CE1-CD1 4.49Å; A180-L207 HydrophobicContact CB-CB 4.07Å; L203-L207 HydrophobicContact CD1-CD1 3.57Å; L203-L207 HydrophobicContact CD1-CG 3.73Å; L203-L207 HydrophobicContact CD2-CD1 4.18Å; L203-L207 HydrophobicContact CG-CD1 3.75Å; L203-L207 HydrophobicContact CG-CG 4.16Å; L203-L207 PolarHBondContact O-N 3.02Å
208C90.6Very high78.9Confident25 Ų2566.9 Ų66.917%0.16944%0.437CS..Hα-helixtrans-95.3-2.8-178.5-52.30000113.2V184 S204V184-C208 HydrophobicContact CG2-CB 4.01Å; S204-C208 WeakPolarHBondContact O-CB 3.47Å; S204-C208 PolarHBondContact O-N 3.16Å; S204-C208 PolarHBondContact O-SG 3.42Å
209S82.4Confident77.3Confident66 Ų6670 Ų7046%0.46246%0.456SS..SBendtrans-64.6137173.3-78.50000110.2E205 V211E205-S209 WeakPolarHBondContact O-CB 3.45Å; E205-S209 PolarHBondContact O-N 3.46Å; E205-S209 PolarHBondContact O-OG 3.02Å; S209-V211 PolarHBondContact O-N 2.84Å
210P68.1Low75.8Confident106 Ų10672.7 Ų72.769%0.68848%0.483SS*.PPolyproline II helixtrans-54.9135.1173.6-20.130000109.8
211V62.3Low74.4Confident70 Ų7078.7 Ų78.742%0.42452%0.522SS..PPolyproline II helixtrans-60.2127171.4-178.90000107.2D37 S209 A213D37-V211 HydrophobicContact CB-CG2 4.48Å; S209-V211 PolarHBondContact O-N 2.84Å; V211-A213 PolarHBondContact O-N 3.36Å; V211-A213 VanDerWaalsContact O-N 3.17Å
212P56.1Low73Confident112 Ų11280.2 Ų80.273%0.72754%0.543SS*.PPolyproline II helixtrans-53.4126.8176.5-23.131.5000109.3
213A53.2Low71.3Confident87 Ų8783.9 Ų83.972%0.71957%0.569SS**PPolyproline II helixtrans-53.1139.2175.400000109.3V211 A215V211-A213 PolarHBondContact O-N 3.36Å; V211-A213 VanDerWaalsContact O-N 3.17Å; A213-A215 PolarHBondContact O-N 2.85Å; A213-A215 VanDerWaalsContact O-N 3.15Å
214P53.8Low69.9Low124 Ų12488.8 Ų88.881%0.80560%0.603SS**PPolyproline II helixtrans-54.3127.5174.520.9-29.9000108.4
215A56.3Low68Low88 Ų8894.9 Ų94.973%0.72764%0.643SS**PPolyproline II helixtrans-52.7137.2-179.800000109.3A213 S217A213-A215 PolarHBondContact O-N 2.85Å; A213-A215 VanDerWaalsContact O-N 3.15Å; A215-S217 PolarHBondContact O-N 3.3Å
216P57.5Low65.9Low126 Ų12694.1 Ų94.182%0.81865%0.652SS**PPolyproline II helixtrans-54.9122.3177.120.6-29.7000108.4A218P216-A218 PolarHBondContact O-N 2.97Å
217S61.9Low63.8Low114 Ų11495.8 Ų95.880%0.79767%0.67SS**PPolyproline II helixtrans-54.8127.917638.20000108.5A215A215-S217 PolarHBondContact O-N 3.3Å
218A66.6Low61.7Low89 Ų89104.9 Ų104.974%0.73671%0.712SS**PPolyproline II helixtrans-52.4134.7179.900000109.3P216 A220P216-A218 PolarHBondContact O-N 2.97Å; A218-A220 PolarHBondContact O-N 3.42Å
219P61Low59.5Low125 Ų125110.8 Ų110.881%0.81274%0.742SS**PPolyproline II helixtrans-57.7130.8179.422.2-30.4000108.9
220A64.9Low57.8Low87 Ų87115.6 Ų115.672%0.71976%0.757SS**PPolyproline II helixtrans-52.713817800000109.8A218 A222A218-A220 PolarHBondContact O-N 3.42Å; A220-A222 PolarHBondContact O-N 3.31Å
221P65.1Low56.8Low125 Ų125116.6 Ų116.681%0.81276%0.761SS**PPolyproline II helixtrans-59.7130.6179.623.6-30.6000109.3
222A66.8Low56.2Low88 Ų88118.9 Ų118.973%0.72778%0.775SS**PPolyproline II helixtrans-56.1141178.300000110.3A220 S224A220-A222 PolarHBondContact O-N 3.31Å; A222-S224 PolarHBondContact O-N 3.35Å
223P59.8Low55.5Low127 Ų127122.3 Ų122.383%0.82578%0.782SS**PPolyproline II helixtrans-62.1124.2176.525.1-31000109.2
224S65.1Low55.2Low104 Ų104133.6 Ų133.673%0.72781%0.805SS**PPolyproline II helixtrans-59.6136.3174.7380000110.4A222 S226A222-S224 PolarHBondContact O-N 3.35Å; S224-S226 PolarHBondContact O-N 3.4Å
225P55.6Low55.2Low127 Ų127134.1 Ų134.183%0.82581%0.805SS**PPolyproline II helixtrans-65.7119.9-178.825.5-30.9000109.5S227P225-S227 PolarHBondContact O-N 3.38Å
226S51.1Low55.2Low113 Ų113136.5 Ų136.579%0.7981%0.809SS**PPolyproline II helixtrans-67.9126.4172.642.30000109.8S224 Q228S224-S226 PolarHBondContact O-N 3.4Å; S226-Q228 PolarHBondContact O-N 2.88Å
227S49.2Very low55.1Low107 Ų107137.1 Ų137.175%0.74881%0.809SS**  trans-58.5115.2172.7-42.40000109.9P225 N229P225-S227 PolarHBondContact O-N 3.38Å; S227-N229 PolarHBondContact O-N 3.07Å; S227-N229 VanDerWaalsContact O-N 3.11Å
228Q47.9Very low54.6Low193 Ų193138.4 Ų138.490%0.90281%0.81SS**  trans-67.4105.2167.7-80.2-179.8-25.600108.9S226 H230S226-Q228 PolarHBondContact O-N 2.88Å; Q228-H230 PolarHBondContact O-N 3.18Å
229N44.9Very low53.9Low149 Ų149141.5 Ų141.580%0.79781%0.814SS**  trans-75111.8166.2-78.7-22.9000108.7S227 V231S227-N229 PolarHBondContact O-N 3.07Å; S227-N229 VanDerWaalsContact O-N 3.11Å; N229-V231 PolarHBondContact O-N 3.28Å
230H46.8Very low53.4Low166 Ų166142.6 Ų142.677%0.76981%0.814SS**  trans-71.9107.5172-160-79.2000108.9Q228Q228-H230 PolarHBondContact O-N 3.18Å
231V45.9Very low52.6Low128 Ų128146.6 Ų146.678%0.77682%0.821SS**  trans-88.8109.3168.6178.90000107.5N229N229-V231 PolarHBondContact O-N 3.28Å
232T50.2Low51.6Low117 Ų117148.2 Ų148.272%0.71882%0.822SS**  trans-81.6116.8165.910.50000109.1
233E42.7Very low50.4Low185 Ų185153.3 Ų153.386%0.86483%0.83SS**  trans-65.8140.6167.7-75.5179.5124.100111.1
234R45.4Very low49.5Very low323 Ų323155.6 Ų155.6100%1.21983%0.83SS**  trans-135.90156.2-91.2-168.5179.6-179.21.3108.3

Retrieved 234 of 234 residues in 222.3 ms (Link to these results)

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